file
int64
a
float64
siga
float64
b
float64
sigb
float64
c
float64
sigc
float64
alpha
float64
sigalpha
float64
beta
float64
sigbeta
float64
gamma
float64
siggamma
float64
vol
float64
sigvol
float64
celltemp
float64
sigcelltemp
float64
diffrtemp
float64
sigdiffrtemp
float64
cellpressure
float64
sigcellpressure
float64
diffrpressure
float64
sigdiffrpressure
float64
thermalhist
string
pressurehist
string
compoundsource
string
nel
string
sg
string
sgHall
string
sgNumber
int64
commonname
string
chemname
string
mineral
string
formula
string
calcformula
string
cellformula
string
Z
int64
Zprime
float64
acce_code
string
authors
string
title
string
journal
string
year
int64
volume
int64
issue
string
firstpage
string
lastpage
string
doi
string
method
string
radiation
string
wavelength
float64
radType
string
radSymbol
string
Rall
float64
Robs
float64
Rref
float64
wRall
float64
wRobs
float64
wRref
float64
RFsqd
float64
RI
float64
gofall
float64
gofobs
float64
gofgt
float64
gofref
float64
duplicateof
int64
optimal
int64
status
string
flags
string
text
string
svnrevision
int64
date
string
time
string
onhold
string
cif_text
string
4,321,959
9.886
0.003
17.388
0.005
6.029
0.002
90
null
103.33
0.02
90
null
1,008.5
0.5
295
null
295
null
null
null
null
null
chemical synthesis
6
C 1 2 1
C 2y
5
- C12 H6 Cr N4 Na O13 -
- C12 H6 Cr N4 Na O13 -
- C24 H12 Cr2 N8 Na2 O26 -
2
0.5
Giovanni De Munno; Donatella Armentano; Miguel Julve; Francesc Lloret; Rodrigue Lescouëzec; Juan Faus
Two-Dimensional Assembling of (2,2'-Bipyrimidine)bis(oxalato)chromate(III) Units through Alkaline Cations
Inorganic Chemistry
1,999
38
2234
2237
10.1021/ic981232q
0.71073
MoKα
4.98
4.8
null
6.88
6.47
null
null
null
null
0.89
0.89
null
null
null
has coordinates
Giovanni De Munno; Donatella Armentano; Miguel Julve; Francesc Lloret; Rodrigue Lescouëzec; Juan Faus Two-Dimensional Assembling of (2,2'-Bipyrimidine)bis(oxalato)chromate(III) Units through Alkaline Cations Inorganic Chemistry 38 (1999) 2234-2237
179,322
2020-10-21
18:00:00
#------------------------------------------------------------------------------ #$Date: 2016-03-23 15:19:29 +0200 (Wed, 23 Mar 2016) $ #$Revision: 179322 $ #$URL: file:///home/coder/svn-repositories/_RELOADED_COD/cod-reloaded/cif/4/32/19/4321959.cif $ #-------------------------------------------------------------------...
2,008,567
8.438
0.002
27.496
0.001
4.894
0.001
90
null
117.38
0.02
90
null
1,008.3
0.4
296
null
296
null
null
null
null
null
4
C 1 c 1
C -2yc
9
quinolinium-4-carboxylate dihydrate
- C10 H11 N O4 -
- C10 H11 N O4 -
- C40 H44 N4 O16 -
4
1
FR1183
Dobson, Allison J.; Gerkin, Roger E.
Hydrogen bonding in quinolinium-4-carboxylate dihydrate
Acta Crystallographica Section C
1,999
55
6
935
937
10.1107/S0108270199002565
0.71073
MoKα
null
0.032
null
null
0.055
null
null
null
null
1.85
1.85
null
null
null
has coordinates
Dobson, Allison J.; Gerkin, Roger E. Hydrogen bonding in quinolinium-4-carboxylate dihydrate Acta Crystallographica Section C 55(6) (1999) 935-937
301,791
2025-08-18
23:15:33
#------------------------------------------------------------------------------ #$Date: 2025-08-19 01:52:38 +0300 (Tue, 19 Aug 2025) $ #$Revision: 301791 $ #$URL: file:///home/coder/svn-repositories/_RELOADED_COD/cod-reloaded/cif/2/00/85/2008567.cif $ #-------------------------------------------------------------------...
2,008,568
7.714
0.002
17.848
0.002
6.91
0.002
90
null
107.34
0.02
90
null
908.1
0.4
296
null
296
null
null
null
null
null
3
P 1 21/c 1
-P 2ybc
14
naphthalene-1,2-dicarboxylic anhydride
- C12 H6 O3 -
- C12 H6 O3 -
- C48 H24 O12 -
4
1
FR1187
Fitzgerald, Lawrence J.; Gerkin, Roger E.
Network of C—H···O interactions in 1,2-naphthalenedicarboxylic anhydride
Acta Crystallographica Section C
1,999
55
6
937
940
10.1107/S0108270199002577
0.71073
MoKα
null
0.045
null
null
null
0.052
null
null
null
null
null
1.62
null
null
has coordinates
Fitzgerald, Lawrence J.; Gerkin, Roger E. Network of C—H···O interactions in 1,2-naphthalenedicarboxylic anhydride Acta Crystallographica Section C 55(6) (1999) 937-940
301,791
2025-08-18
23:15:33
#------------------------------------------------------------------------------ #$Date: 2025-08-19 01:52:38 +0300 (Tue, 19 Aug 2025) $ #$Revision: 301791 $ #$URL: file:///home/coder/svn-repositories/_RELOADED_COD/cod-reloaded/cif/2/00/85/2008568.cif $ #-------------------------------------------------------------------...
2,008,569
7.937
0.003
37.789
0.004
9.696
0.003
90
null
90
null
90
null
2,908.1
1.5
296
null
296
null
null
null
null
null
4
P b c a
-P 2ac 2ab
61
dipotassium naphthalene-1,8-dicarboxylate.potassium bicarbonate
- C13 H7 K3 O7 -
- C13 H7 K3 O7 -
- C104 H56 K24 O56 -
8
1
FR1190
Fitzgerald, Lawrence J.; Gerkin, Roger E.
Dipotassium naphthalene-1,8-dicarboxylate‒potassium bicarbonate
Acta Crystallographica Section C
1,999
55
6
918
921
10.1107/S0108270199002966
0.71073
MoKα
null
0.044
null
null
null
0.074
null
null
null
null
null
1.35
null
null
has coordinates
Fitzgerald, Lawrence J.; Gerkin, Roger E. Dipotassium naphthalene-1,8-dicarboxylate‒potassium bicarbonate Acta Crystallographica Section C 55(6) (1999) 918-921
176,435
2020-10-21
18:00:00
#------------------------------------------------------------------------------ #$Date: 2016-02-14 16:26:36 +0200 (Sun, 14 Feb 2016) $ #$Revision: 176435 $ #$URL: file:///home/coder/svn-repositories/_RELOADED_COD/cod-reloaded/cif/2/00/85/2008569.cif $ #-------------------------------------------------------------------...
2,008,570
8.8712
0.0018
10.2642
0.0012
14.4412
0.0009
98.78
0.005
92.483
0.009
104.804
0.014
1,251.7
0.3
293
2
293
2
null
null
null
null
6
P -1
-P 1
2
aquachloro(1-ethyl-1,4-dihydro-4-oxo-1,3-dioxolo[4,5-g]cinnoline-3-carboxylato- O^3^,O^4^)(1-ethyl-1,4-dihydro-4-oxo-1,3-dioxolo[4,5-g]cinnoline-3-carboxylic acid-O^3^,O^4^)copper(II)
- C24 H21 Cl Cu N4 O11 -
- C24 H21 Cl Cu N4 O11 -
- C48 H42 Cl2 Cu2 N8 O22 -
2
1
GD1017
Ruíz, Monica; Ortiz, Rosa; Perelló, Lourdes; Alfonso Castiñeiras
[CuCl(C~12~H~9~N~2~O~5~)(C~12~H~10~N~2~O~5~)(H~2~O)]
Acta Crystallographica Section C
1,999
55
6
878
880
10.1107/S0108270199001122
1.54184
CuKα
0.057
0.041
null
null
null
0.12
null
null
null
null
null
1.08
null
null
has coordinates,has Fobs
Ruíz, Monica; Ortiz, Rosa; Perelló, Lourdes; Alfonso Castiñeiras [CuCl(C~12~H~9~N~2~O~5~)(C~12~H~10~N~2~O~5~)(H~2~O)] Acta Crystallographica Section C 55(6) (1999) 878-880
176,759
2020-10-21
18:00:00
#------------------------------------------------------------------------------ #$Date: 2016-02-19 16:29:56 +0200 (Fri, 19 Feb 2016) $ #$Revision: 176759 $ #$URL: file:///home/coder/svn-repositories/_RELOADED_COD/cod-reloaded/cif/2/00/85/2008570.cif $ #-------------------------------------------------------------------...
2,008,571
12.694
0.005
16.353
0.005
11.122
0.003
90
null
90
null
90
null
2,308.8
1.3
293
2
293
2
null
null
null
null
4
F d d d :2
-F 2uv 2vw
70
Rubidium molybdyl arsenate
- As Mo O6 Rb -
- As Mo O6 Rb -
- As16 Mo16 O96 Rb16 -
16
0.5
GS1008
Zid, Mohamed Faouzi; Jouini, Tahar
RbMoO~2~AsO~4~
Acta Crystallographica Section C
1,999
55
6
843
845
10.1107/S0108270198016102
0.71069
MoKα
0.0335
0.024
null
0.0674
0.0553
null
null
null
1.173
1.071
1.071
null
null
null
has coordinates
Zid, Mohamed Faouzi; Jouini, Tahar RbMoO~2~AsO~4~ Acta Crystallographica Section C 55(6) (1999) 843-845
176,759
2020-10-21
18:00:00
#------------------------------------------------------------------------------ #$Date: 2016-02-19 16:29:56 +0200 (Fri, 19 Feb 2016) $ #$Revision: 176759 $ #$URL: file:///home/coder/svn-repositories/_RELOADED_COD/cod-reloaded/cif/2/00/85/2008571.cif $ #-------------------------------------------------------------------...
2,008,572
5.763
0.001
10.153
0.002
12.022
0.002
83.37
0.01
86.46
0.01
78.83
0.01
684.9
0.2
293
null
null
null
null
null
null
null
4
P -1
-P 1
2
- C16 H18 O S -
- C16 H18 O S -
- C32 H36 O2 S2 -
2
1
GS1033
Zukerman-Schpector, J.; Gruber, Jonas; Camilo, Fernanda Ferraz
Two new 2,3-substituted 5-norbornenes
Acta Crystallographica Section C
1,999
55
6
980
983
10.1107/S010827019900236X
0.71073
MoKα
0.103
0.042
null
null
null
0.115
null
null
null
null
null
1.019
null
null
has coordinates
Zukerman-Schpector, J.; Gruber, Jonas; Camilo, Fernanda Ferraz Two new 2,3-substituted 5-norbornenes Acta Crystallographica Section C 55(6) (1999) 980-983
301,791
2025-08-18
23:15:33
#------------------------------------------------------------------------------ #$Date: 2025-08-19 01:52:38 +0300 (Tue, 19 Aug 2025) $ #$Revision: 301791 $ #$URL: file:///home/coder/svn-repositories/_RELOADED_COD/cod-reloaded/cif/2/00/85/2008572.cif $ #-------------------------------------------------------------------...
4,321,958
14.628
0.004
13.787
0.004
18.084
0.005
90
null
112.46
0.02
90
null
3,370.5
1.7
295
null
295
null
null
null
null
null
chemical synthesis
6
P 1 21/c 1
-P 2ybc
14
- C36 H28 As Cr N4 O9 -
- C36 H28 As Cr N4 O9 -
- C144 H112 As4 Cr4 N16 O36 -
4
1
Giovanni De Munno; Donatella Armentano; Miguel Julve; Francesc Lloret; Rodrigue Lescouëzec; Juan Faus
Two-Dimensional Assembling of (2,2'-Bipyrimidine)bis(oxalato)chromate(III) Units through Alkaline Cations
Inorganic Chemistry
1,999
38
2234
2237
10.1021/ic981232q
0.71073
MoKα
14.44
6.1
null
12.18
7.94
null
null
null
null
1.69
1.69
null
null
null
has coordinates
Giovanni De Munno; Donatella Armentano; Miguel Julve; Francesc Lloret; Rodrigue Lescouëzec; Juan Faus Two-Dimensional Assembling of (2,2'-Bipyrimidine)bis(oxalato)chromate(III) Units through Alkaline Cations Inorganic Chemistry 38 (1999) 2234-2237
301,838
2025-08-20
22:17:36
#------------------------------------------------------------------------------ #$Date: 2025-08-21 01:01:10 +0300 (Thu, 21 Aug 2025) $ #$Revision: 301838 $ #$URL: file:///home/coder/svn-repositories/_RELOADED_COD/cod-reloaded/cif/4/32/19/4321958.cif $ #-------------------------------------------------------------------...
2,008,573
9.763
0.001
12.097
0.002
12.164
0.001
90
null
107.292
0.008
90
null
1,371.7
0.3
293
null
null
null
null
null
null
null
5
P 1 21/c 1
-P 2ybc
14
- C15 H15 N O3 S -
- C15 H15 N O3 S -
- C60 H60 N4 O12 S4 -
4
1
GS1033
Zukerman-Schpector, J.; Gruber, Jonas; Camilo, Fernanda Ferraz
Two new 2,3-substituted 5-norbornenes
Acta Crystallographica Section C
1,999
55
6
980
983
10.1107/S010827019900236X
0.71073
MoKα
0.15
0.05
null
null
null
0.165
null
null
null
null
null
1.039
null
null
has coordinates
Zukerman-Schpector, J.; Gruber, Jonas; Camilo, Fernanda Ferraz Two new 2,3-substituted 5-norbornenes Acta Crystallographica Section C 55(6) (1999) 980-983
301,791
2025-08-18
23:15:33
#------------------------------------------------------------------------------ #$Date: 2025-08-19 01:52:38 +0300 (Tue, 19 Aug 2025) $ #$Revision: 301791 $ #$URL: file:///home/coder/svn-repositories/_RELOADED_COD/cod-reloaded/cif/2/00/85/2008573.cif $ #-------------------------------------------------------------------...
2,008,574
7.7541
0.0013
14.4655
0.0019
31.108
0.005
90
null
90
null
90
null
3,489.3
0.9
293
2
293
2
null
null
null
null
5
C 2 2 21
C 2c 2
20
(2S,3S)-2-[2-(benzyloxy)ethyl]-3-(6-chloro-9H-purin-9-yl)oxolane
- C18 H19 Cl N4 O2 -
- C18 H19 Cl N4 O2 -
- C144 H152 Cl8 N32 O16 -
8
1
GS1035
George Balayiannis; Ioannis Argiris; Dionissios Papaioannou; Constantin Kavounis
(2<i>S</i>,3<i>S</i>)- and (2<i>R</i>,3<i>S</i>)-2-[2-(benzyloxy)ethyl]-3-(6-chloro-9<i>H</i>-purin-9-yl)oxolane
Acta Crystallographica Section C
1,999
55
6
1005
1008
10.1107/S0108270199002784
0.71069
MoKα
0.073
0.044
null
null
null
0.127
null
null
null
null
null
1.018
null
null
has coordinates
George Balayiannis; Ioannis Argiris; Dionissios Papaioannou; Constantin Kavounis (2<i>S</i>,3<i>S</i>)- and (2<i>R</i>,3<i>S</i>)-2-[2-(benzyloxy)ethyl]-3-(6-chloro-9<i>H</i>-purin-9-yl)oxolane Acta Crystallographica Section C 55(6) (1999) 1005-1008
301,791
2025-08-18
23:15:33
#------------------------------------------------------------------------------ #$Date: 2025-08-19 01:52:38 +0300 (Tue, 19 Aug 2025) $ #$Revision: 301791 $ #$URL: file:///home/coder/svn-repositories/_RELOADED_COD/cod-reloaded/cif/2/00/85/2008574.cif $ #-------------------------------------------------------------------...
2,008,575
7.5238
0.0005
10.9972
0.0008
20.9169
0.0019
90
null
90
null
90
null
1,730.7
0.2
293
2
293
2
null
null
null
null
5
P 21 21 21
P 2ac 2ab
19
(2R,3S)-2-[2-(benzyloxy)ethyl]-3-(6-chloro-9H-purin-9-yl)oxolane
- C18 H19 Cl N4 O2 -
- C18 H19 Cl N4 O2 -
- C72 H76 Cl4 N16 O8 -
4
1
GS1035
George Balayiannis; Ioannis Argiris; Dionissios Papaioannou; Constantin Kavounis
(2<i>S</i>,3<i>S</i>)- and (2<i>R</i>,3<i>S</i>)-2-[2-(benzyloxy)ethyl]-3-(6-chloro-9<i>H</i>-purin-9-yl)oxolane
Acta Crystallographica Section C
1,999
55
6
1005
1008
10.1107/S0108270199002784
0.71069
MoKα
0.105
0.053
null
null
null
0.137
null
null
null
null
null
1.027
null
null
has coordinates
George Balayiannis; Ioannis Argiris; Dionissios Papaioannou; Constantin Kavounis (2<i>S</i>,3<i>S</i>)- and (2<i>R</i>,3<i>S</i>)-2-[2-(benzyloxy)ethyl]-3-(6-chloro-9<i>H</i>-purin-9-yl)oxolane Acta Crystallographica Section C 55(6) (1999) 1005-1008
301,791
2025-08-18
23:15:33
#------------------------------------------------------------------------------ #$Date: 2025-08-19 01:52:38 +0300 (Tue, 19 Aug 2025) $ #$Revision: 301791 $ #$URL: file:///home/coder/svn-repositories/_RELOADED_COD/cod-reloaded/cif/2/00/85/2008575.cif $ #-------------------------------------------------------------------...
2,008,576
10.045
0.003
14.347
0.005
15.606
0.006
99.24
0.02
100.22
0.02
108.76
0.02
2,037.8
1.3
293
2
293
2
null
null
null
null
6
P -1
-P 1
2
(3,3'-dimethylene-2,2'-biquinoline)bromotricarbonylrhenium(I)
- C23 H14 Br N2 O3 Re -
- C23 H14 Br N2 O3 Re -
- C92 H56 Br4 N8 O12 Re4 -
4
2
HA1240
Juan Guerrero; Sergio A. Moya; María Teresa Garland; Ricardo F. Baggio
Bromotricarbonyl(3,3'-dimethylene-2,2'-biquinoline)rhenium(I)
Acta Crystallographica Section C
1,999
55
6
932
934
10.1107/S0108270198017181
0.71073
MoKα
0.059
0.036
null
null
null
0.077
null
null
null
null
null
1.064
null
null
has coordinates,has disorder
Juan Guerrero; Sergio A. Moya; María Teresa Garland; Ricardo F. Baggio Bromotricarbonyl(3,3'-dimethylene-2,2'-biquinoline)rhenium(I) Acta Crystallographica Section C 55(6) (1999) 932-934
176,759
2020-10-21
18:00:00
#------------------------------------------------------------------------------ #$Date: 2016-02-19 16:29:56 +0200 (Fri, 19 Feb 2016) $ #$Revision: 176759 $ #$URL: file:///home/coder/svn-repositories/_RELOADED_COD/cod-reloaded/cif/2/00/85/2008576.cif $ #-------------------------------------------------------------------...
2,008,577
6.88
0.0008
13.8033
0.0009
29.389
0.002
90
0.01
90
0.01
90
0.01
2,791
0.4
293
2
293
2
null
null
null
null
4
P 21 21 21
P 2ac 2ab
19
Olean-12-en[2,3-d]isoxazole-28-oic acid methyl ester
- C32 H47 N O3 -
- C32 H47 N O3 -
- C128 H188 N4 O12 -
4
1
JZ1306
Gzella, Andrzej; Linkowska, Ewa; Zaprutko, Lucjusz; Wrzeciono, Urszula
Triterpenoide. XIV. [2,3-<i>d</i>]Isoxazoltriterpenderivate
Acta Crystallographica Section C
1,999
55
6
1031
1034
10.1107/S010827019900013X
1.54178
CuKα
0.0398
0.0353
null
0.1034
0.0994
null
null
null
1.035
1.036
1.036
null
null
null
has coordinates
Gzella, Andrzej; Linkowska, Ewa; Zaprutko, Lucjusz; Wrzeciono, Urszula Triterpenoide. XIV. [2,3-<i>d</i>]Isoxazoltriterpenderivate Acta Crystallographica Section C 55(6) (1999) 1031-1034
301,791
2025-08-18
23:15:33
#------------------------------------------------------------------------------ #$Date: 2025-08-19 01:52:38 +0300 (Tue, 19 Aug 2025) $ #$Revision: 301791 $ #$URL: file:///home/coder/svn-repositories/_RELOADED_COD/cod-reloaded/cif/2/00/85/2008577.cif $ #-------------------------------------------------------------------...
4,321,957
13.926
0.002
13.926
0.002
6.433
0.001
90
null
90
null
90
null
1,247.6
0.3
295
2
293
2
null
null
null
null
5
P 4/m c c
-P 4 2c
124
- C32 H16 As0.5 I N8 -
- C32 H16 As0.5 I N8 -
- C64 H32 As I2 N16 -
2
0.125
Jan Janczak; Ryszard Kubiak; Adam Jezierski
Mixed-Valence, Disordered Structures and Characterization of Iodine-Doped Phthalocyanines: [YbPc2]I2 and [(AsPc)(Pc)]I2
Inorganic Chemistry
1,999
38
2043
2049
10.1021/ic981168c
0.71073
MoKα
0.1249
0.0638
null
null
0.1665
0.2008
null
null
null
null
null
0.965
null
null
has coordinates
Jan Janczak; Ryszard Kubiak; Adam Jezierski Mixed-Valence, Disordered Structures and Characterization of Iodine-Doped Phthalocyanines: [YbPc2]I2 and [(AsPc)(Pc)]I2 Inorganic Chemistry 38 (1999) 2043-2049
176,467
2020-10-21
18:00:00
#------------------------------------------------------------------------------ #$Date: 2016-02-16 22:30:59 +0200 (Tue, 16 Feb 2016) $ #$Revision: 176467 $ #$URL: file:///home/coder/svn-repositories/_RELOADED_COD/cod-reloaded/cif/4/32/19/4321957.cif $ #-------------------------------------------------------------------...
2,008,578
6.5284
0.001
30.614
0.002
13.5481
0.001
90
0.01
101.31
0.01
90
0.01
2,655.1
0.5
293
2
293
2
null
null
null
null
4
P 1 21 1
P 2yb
4
19β,28-Epoxy-18Hα-oleanan[2,3-d]isoxazole
- C31 H47 N O2 -
- C31 H47 N O2 -
- C124 H188 N4 O8 -
4
2
JZ1306
Gzella, Andrzej; Linkowska, Ewa; Zaprutko, Lucjusz; Wrzeciono, Urszula
Triterpenoide. XIV. [2,3-<i>d</i>]Isoxazoltriterpenderivate
Acta Crystallographica Section C
1,999
55
6
1031
1034
10.1107/S010827019900013X
1.54178
CuKα
0.0481
0.0361
null
0.1045
0.0997
null
null
null
1.003
1.023
1.023
null
null
null
has coordinates
Gzella, Andrzej; Linkowska, Ewa; Zaprutko, Lucjusz; Wrzeciono, Urszula Triterpenoide. XIV. [2,3-<i>d</i>]Isoxazoltriterpenderivate Acta Crystallographica Section C 55(6) (1999) 1031-1034
301,791
2025-08-18
23:15:33
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2,008,579
6.425
0.001
7.895
0.001
21.883
0.002
90
null
95.5
0.01
90
null
1,104.9
0.2
293
2
null
null
null
null
null
null
5
P 1 21 1
P 2yb
4
(1R,2R,3S,4S,5S,6S)-exo-3-[(S)-1,2-dibenzyloxyethyl]-exo-2-cyano-endo-6- hydroxy-exo-5-iodobicyclo[2.2.1]heptane-endo-2-carboxylic Acid Lactone.
- C25 H24 I N O4 -
- C25 H24 I N O4 -
- C50 H48 I2 N2 O8 -
2
1
JZ1323
Alías, Miriam; Buñuel, Elena; Cativiela, Carlos; Díaz-de-Villegas, María D.; Gálvez, José A.
(1<i>R</i>,2<i>R</i>,3<i>S</i>,4<i>S</i>,5<i>S</i>,6<i>S</i>)-<i>exo</i>-2-Cyano-<i>exo</i>-3-[(<i>S</i>)-1,2-dibenzyloxyethyl]-<i>exo</i>-5-iodobicyclo[2.2.1]heptane-<i>endo</i>-2,6-carbolactone
Acta Crystallographica Section C
1,999
55
6
1009
1012
10.1107/S010827019900222X
0.71073
MoKα
null
0.0384
null
null
null
0.0969
null
null
null
null
null
1.017
null
null
has coordinates
Alías, Miriam; Buñuel, Elena; Cativiela, Carlos; Díaz-de-Villegas, María D.; Gálvez, José A. (1<i>R</i>,2<i>R</i>,3<i>S</i>,4<i>S</i>,5<i>S</i>,6<i>S</i>)-<i>exo</i>-2-Cyano-<i>exo</i>-3-[(<i>S</i>)-1,2-dibenzyloxyethyl]-<i>exo</i>-5-iodobicyclo[2.2.1]heptane-<i>endo</i>-2,6-carbolactone Acta Crystallographica Section ...
301,791
2025-08-18
23:15:33
#------------------------------------------------------------------------------ #$Date: 2025-08-19 01:52:38 +0300 (Tue, 19 Aug 2025) $ #$Revision: 301791 $ #$URL: file:///home/coder/svn-repositories/_RELOADED_COD/cod-reloaded/cif/2/00/85/2008579.cif $ #-------------------------------------------------------------------...
2,008,580
10.503
0.001
13.889
0.002
10.678
0.001
90
null
90.68
0.02
90
null
1,557.6
0.3
213
2
213
2
null
null
null
null
5
P 1 21/c 1
-P 2ybc
14
cyclo-tri-μ-methoxo-tris(dichloroaluminium)
- C3 H9 Al3 Cl6 O3 -
- C3 H9 Al3 Cl6 O3 -
- C12 H36 Al12 Cl24 O12 -
4
1
KA1308
Gelbrich, Thomas
A trimeric aluminium alkoxide: methoxyaluminium dichloride
Acta Crystallographica Section C
1,999
55
6
856
858
10.1107/S0108270199000505
0.71073
MoKα
0.066
0.034
null
null
null
0.099
null
null
null
null
null
1.019
null
null
has coordinates
Gelbrich, Thomas A trimeric aluminium alkoxide: methoxyaluminium dichloride Acta Crystallographica Section C 55(6) (1999) 856-858
176,759
2020-10-21
18:00:00
#------------------------------------------------------------------------------ #$Date: 2016-02-19 16:29:56 +0200 (Fri, 19 Feb 2016) $ #$Revision: 176759 $ #$URL: file:///home/coder/svn-repositories/_RELOADED_COD/cod-reloaded/cif/2/00/85/2008580.cif $ #-------------------------------------------------------------------...
2,008,581
15.21
0.002
5.539
0.0006
17.192
0.002
90
null
134.45
0.01
90
null
1,034
0.3
291
null
291
null
null
null
null
null
3
P 1 21/c 1
-P 2ybc
14
2,3,5,6-tetraphenylpyrazine (α form)
- C28 H20 N2 -
- C28 H20 N2 -
- C56 H40 N4 -
2
0.5
LN1076
Bartnik, Romuald; Faure, René; Gebicki, Krzysztof
Dimorphism of 2,3,5,6-tetraphenylpyrazine
Acta Crystallographica Section C
1,999
55
6
1034
1037
10.1107/S0108270199002450
1.54056
CuKα
null
0.06
null
null
0.137
null
null
null
null
null
null
1.9
null
null
has coordinates
Bartnik, Romuald; Faure, René; Gebicki, Krzysztof Dimorphism of 2,3,5,6-tetraphenylpyrazine Acta Crystallographica Section C 55(6) (1999) 1034-1037
301,791
2025-08-18
23:15:33
#------------------------------------------------------------------------------ #$Date: 2025-08-19 01:52:38 +0300 (Tue, 19 Aug 2025) $ #$Revision: 301791 $ #$URL: file:///home/coder/svn-repositories/_RELOADED_COD/cod-reloaded/cif/2/00/85/2008581.cif $ #-------------------------------------------------------------------...
4,321,956
13.927
0.002
13.927
0.002
6.409
0.001
90
null
90
null
90
null
1,243.1
0.3
295
2
293
2
null
null
null
null
5
P 4/m c c
-P 4 2c
124
- C64 H32 I2 N16 Yb -
- C64 H32 I2 N16 Yb -
- C64 H32 I2 N16 Yb -
1
0.0625
Jan Janczak; Ryszard Kubiak; Adam Jezierski
Mixed-Valence, Disordered Structures and Characterization of Iodine-Doped Phthalocyanines: [YbPc2]I2 and [(AsPc)(Pc)]I2
Inorganic Chemistry
1,999
38
2043
2049
10.1021/ic981168c
0.71073
MoKα
0.0934
0.039
null
null
0.0951
0.1124
null
null
null
null
null
1.068
null
null
has coordinates
Jan Janczak; Ryszard Kubiak; Adam Jezierski Mixed-Valence, Disordered Structures and Characterization of Iodine-Doped Phthalocyanines: [YbPc2]I2 and [(AsPc)(Pc)]I2 Inorganic Chemistry 38 (1999) 2043-2049
179,322
2020-10-21
18:00:00
#------------------------------------------------------------------------------ #$Date: 2016-03-23 15:19:29 +0200 (Wed, 23 Mar 2016) $ #$Revision: 179322 $ #$URL: file:///home/coder/svn-repositories/_RELOADED_COD/cod-reloaded/cif/4/32/19/4321956.cif $ #-------------------------------------------------------------------...
2,008,582
18.654
0.003
23.509
0.002
9.576
0.001
90
null
92.18
0.01
90
null
4,196.4
0.9
291
null
291
null
null
null
null
null
3
C 1 2/c 1
-C 2yc
15
2,3,5,6-tetraphenylpyrazine (β form)
- C28 H20 N2 -
- C28 H20 N2 -
- C224 H160 N16 -
8
1
LN1076
Bartnik, Romuald; Faure, René; Gebicki, Krzysztof
Dimorphism of 2,3,5,6-tetraphenylpyrazine
Acta Crystallographica Section C
1,999
55
6
1034
1037
10.1107/S0108270199002450
1.54056
CuKα
null
0.057
null
null
0.077
null
null
null
null
null
null
1.24
null
null
has coordinates
Bartnik, Romuald; Faure, René; Gebicki, Krzysztof Dimorphism of 2,3,5,6-tetraphenylpyrazine Acta Crystallographica Section C 55(6) (1999) 1034-1037
301,791
2025-08-18
23:15:33
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2,008,583
7.904
0.005
8.899
0.006
9.335
0.007
108.26
0.04
112.63
0.03
91.41
0.03
567.6
0.7
160
2
160
2
null
null
null
null
4
P -1
-P 1
2
catena-poly[[bis[μ-(2,6-dimethylpiperidinido)-N:N]dilithium]-μ-(N,N,N',N'- tetramethylethylenediamine-N:N')]
- C20 H44 Li2 N4 -
- C20 H44 Li2 N4 -
- C20 H44 Li2 N4 -
1
0.5
LN1078
Clegg, William; Horsburgh, Lynne; Couper, Scott A.; Mulvey, Robert E.
<i>catena</i>-Poly[[bis(μ-2,6-dimethylpiperidinido-<i>N</i>:<i>N</i>)dilithium]-μ-(<i>N</i>,<i>N</i>,<i>N</i>',<i>N</i>'-tetramethylethylenediamine-<i>N</i>:<i>N</i>')]
Acta Crystallographica Section C
1,999
55
6
867
869
10.1107/S0108270199001171
0.71073
MoKα
0.05
0.038
null
null
null
0.109
null
null
null
null
null
1.027
null
null
has coordinates,has Fobs
Clegg, William; Horsburgh, Lynne; Couper, Scott A.; Mulvey, Robert E. <i>catena</i>-Poly[[bis(μ-2,6-dimethylpiperidinido-<i>N</i>:<i>N</i>)dilithium]-μ-(<i>N</i>,<i>N</i>,<i>N</i>',<i>N</i>'-tetramethylethylenediamine-<i>N</i>:<i>N</i>')] Acta Crystallographica Section C 55(6) (1999) 867-869
301,791
2025-08-18
23:15:33
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2,008,584
9.733
0.003
17.579
0.004
13.016
0.003
90
null
97.12
0.02
90
null
2,209.8
1
160
2
160
2
null
null
null
null
4
P 1 21/n 1
-P 2yn
14
- C22 H32 Mo N2 -
- C22 H32 Mo N2 -
- C88 H128 Mo4 N8 -
4
1
LN1081
Clegg, William; Elsegood, Mark R. J.; Dyer, Philip W.; Gibson, Vernon C.; Marshall, Edward L.
Dibenzylbis(<i>tert</i>-butylimido)molybdenum(VI), containing both η^1^- and η^2^-benzyl ligands
Acta Crystallographica Section C
1,999
55
6
916
918
10.1107/S0108270199003510
0.71073
MoKα
0.02
0.018
null
null
null
0.051
null
null
null
null
null
1.086
null
null
has coordinates,has Fobs
Clegg, William; Elsegood, Mark R. J.; Dyer, Philip W.; Gibson, Vernon C.; Marshall, Edward L. Dibenzylbis(<i>tert</i>-butylimido)molybdenum(VI), containing both η^1^- and η^2^-benzyl ligands Acta Crystallographica Section C 55(6) (1999) 916-918
176,759
2020-10-21
18:00:00
#------------------------------------------------------------------------------ #$Date: 2016-02-19 16:29:56 +0200 (Fri, 19 Feb 2016) $ #$Revision: 176759 $ #$URL: file:///home/coder/svn-repositories/_RELOADED_COD/cod-reloaded/cif/2/00/85/2008584.cif $ #-------------------------------------------------------------------...
2,008,585
9.003
0.005
12.699
0.003
20.522
0.008
90
null
90
null
90
null
2,346.3
1.7
293
2
293
2
null
null
null
null
3
P 21 21 21
P 2ac 2ab
19
melaniline
N,N' diphenyl guanidine
- C13 H13 N3 -
- C13 H13 N3 -
- C104 H104 N24 -
8
2
NA1391
Paixão, J. A.; Matos Beja, A.; Pereira Silva, P. S.; Ramos Silva, M.; Alte da Veiga, L.
A new orthorhombic phase of <i>N</i>,<i>N</i>'-diphenylguanidine
Acta Crystallographica Section C
1,999
55
6
1037
1040
10.1107/S0108270199002462
0.71073
MoKα
0.0628
0.0364
null
null
null
0.1094
null
null
null
null
null
1.03
null
null
has coordinates,has Fobs
Paixão, J. A.; Matos Beja, A.; Pereira Silva, P. S.; Ramos Silva, M.; Alte da Veiga, L. A new orthorhombic phase of <i>N</i>,<i>N</i>'-diphenylguanidine Acta Crystallographica Section C 55(6) (1999) 1037-1040
301,791
2025-08-18
23:15:33
#------------------------------------------------------------------------------ #$Date: 2025-08-19 01:52:38 +0300 (Tue, 19 Aug 2025) $ #$Revision: 301791 $ #$URL: file:///home/coder/svn-repositories/_RELOADED_COD/cod-reloaded/cif/2/00/85/2008585.cif $ #-------------------------------------------------------------------...
2,008,586
15.67
0.004
10.556
0.002
12.258
0.004
90
null
96.1
0.01
90
null
2,016.1
0.9
150
1
150
1
null
null
null
null
5
P 1 21 1
P 2yb
4
1-(2R,3R)-5-(N-benzyl-N-methylamino)-2-[N-(4-methoxyphenyl)carbamoyl]-4-nitro-2-phenyl-2,3-dihydro-3-thienyl]-1,2,3,4,5-penta-O-acetyl-D-manno-pentitol
- C41 H45 N3 O14 S -
- C41 H45 N3 O14 S -
- C82 H90 N6 O28 S2 -
2
1
NA1392
María Jesús Diánez; María Dolores Estrada; Amparo López-Castro; Simeón Pérez-Garrido
Study of a diastereoisomeric dihydrothiophene derivative at 150K
Acta Crystallographica Section C
1,999
55
6
1020
1023
10.1107/S010827019900102X
0.71073
MoKα
0.047
0.042
null
0.124
0.119
null
null
null
1.047
1.054
1.054
null
null
null
has coordinates
María Jesús Diánez; María Dolores Estrada; Amparo López-Castro; Simeón Pérez-Garrido Study of a diastereoisomeric dihydrothiophene derivative at 150K Acta Crystallographica Section C 55(6) (1999) 1020-1023
301,791
2025-08-18
23:15:33
#------------------------------------------------------------------------------ #$Date: 2025-08-19 01:52:38 +0300 (Tue, 19 Aug 2025) $ #$Revision: 301791 $ #$URL: file:///home/coder/svn-repositories/_RELOADED_COD/cod-reloaded/cif/2/00/85/2008586.cif $ #-------------------------------------------------------------------...
4,321,955
12.427
0.0007
12.8492
0.0007
13.634
0.0008
102.55
0.02
100.63
0.03
109.075
0.01
1,929.8
0.5
293
2
293
2
null
null
null
null
7
P -1
-P 1
2
[12]mercuracarborand-4.3KNO~3~.K-18-crown-6
- C32 H88 B40 Hg4 K2 N2 O18 -
- C32 H88 B40 Hg4 K2 N2 O18 -
- C32 H88 B40 Hg4 K2 N2 O18 -
1
0.5
Alfred A. Zinn; Carolyn B. Knobler; David E. Harwell; M. Frederick Hawthorne
Molecular Aggregates of Nitrate Ion with the Tetravalent Lewis Acid Host 12-Mercuracarborand-4: Novel Trihapto Coordination of NO3-
Inorganic Chemistry
1,999
38
2227
2230
10.1021/ic9811244
0.7107
MoKα
0.1751
0.0672
null
0.2377
0.1672
null
null
null
0.96
1.081
1.081
null
null
null
has coordinates
Alfred A. Zinn; Carolyn B. Knobler; David E. Harwell; M. Frederick Hawthorne Molecular Aggregates of Nitrate Ion with the Tetravalent Lewis Acid Host 12-Mercuracarborand-4: Novel Trihapto Coordination of NO3- Inorganic Chemistry 38 (1999) 2227-2230
187,017
2020-10-21
18:00:00
#------------------------------------------------------------------------------ #$Date: 2016-10-07 10:37:42 +0300 (Fri, 07 Oct 2016) $ #$Revision: 187017 $ #$URL: file:///home/coder/svn-repositories/_RELOADED_COD/cod-reloaded/cif/4/32/19/4321955.cif $ #-------------------------------------------------------------------...
2,008,587
7.32
0.004
20.15
0.005
10.448
0.003
90
null
103.33
0.04
90
null
1,499.5
1
299
3
299
3
null
null
null
null
5
C 1 2/m 1
-C 2y
12
Disodium hexaaquacobalt(II) dihydrogen 1,2,4,5-benzenetetracarboxylate(2-) tetrahydrate
- C20 H28 Co Na2 O26 -
- C20 H28 Co Na2 O26 -
- C40 H56 Co2 Na4 O52 -
2
0.25
NA1397
Karanović, Ljiljana; Poleti, Dejan; Bogdanović, Goran A.; Spasojević-de Biré, Anne
Disodium hexaaquacobalt(II) bis[dihydrogen 1,2,4,5-benzenetetracarboxylate(2 ‒)] tetrahydrate
Acta Crystallographica Section C
1,999
55
6
911
913
10.1107/S0108270199002498
0.71069
MoKα
0.057
0.045
null
0.1207
null
0.1159
null
null
0.945
null
null
0.987
null
null
has coordinates,has Fobs
Karanović, Ljiljana; Poleti, Dejan; Bogdanović, Goran A.; Spasojević-de Biré, Anne Disodium hexaaquacobalt(II) bis[dihydrogen 1,2,4,5-benzenetetracarboxylate(2 ‒)] tetrahydrate Acta Crystallographica Section C 55(6) (1999) 911-913
176,759
2020-10-21
18:00:00
#------------------------------------------------------------------------------ #$Date: 2016-02-19 16:29:56 +0200 (Fri, 19 Feb 2016) $ #$Revision: 176759 $ #$URL: file:///home/coder/svn-repositories/_RELOADED_COD/cod-reloaded/cif/2/00/85/2008587.cif $ #-------------------------------------------------------------------...
2,008,588
5.4931
0.0001
22.2521
0.0003
11.035
0.0002
90
null
104.23
0.001
90
null
1,307.45
0.04
293
2
293
2
null
null
null
null
4
P 1 21/c 1
-P 2ybc
14
9-hydroxy-8-iodo-4-methyl-7,8,9,10-tetrahydro-7,8-benzocoumarin
- C14 H13 I O3 -
- C14 H13 I O3 -
- C56 H52 I4 O12 -
4
1
NA1400
Kandasamy Chinnakali; Hoong-Kun Fun; Kamaraj Sriraghavan; Vayalakkavoor T.Ramakrishnan
9-Hydroxy-8-iodo-4-methyl-7,8,9,10-tetrahydrobenzo[<i>h</i>]coumarin
Acta Crystallographica Section C
1,999
55
6
946
948
10.1107/S0108270199002036
0.71073
MoKα
0.06
0.053
null
null
null
0.151
null
null
null
null
null
1.208
null
null
has coordinates
Kandasamy Chinnakali; Hoong-Kun Fun; Kamaraj Sriraghavan; Vayalakkavoor T.Ramakrishnan 9-Hydroxy-8-iodo-4-methyl-7,8,9,10-tetrahydrobenzo[<i>h</i>]coumarin Acta Crystallographica Section C 55(6) (1999) 946-948
301,791
2025-08-18
23:15:33
#------------------------------------------------------------------------------ #$Date: 2025-08-19 01:52:38 +0300 (Tue, 19 Aug 2025) $ #$Revision: 301791 $ #$URL: file:///home/coder/svn-repositories/_RELOADED_COD/cod-reloaded/cif/2/00/85/2008588.cif $ #-------------------------------------------------------------------...
2,008,589
13.6977
0.0005
19.8307
0.0008
12.7594
0.0008
90
null
90
null
90
null
3,465.9
0.3
296.2
null
296.2
null
null
null
null
null
5
P 21 21 21
P 2ac 2ab
19
(1S,3R)-Carpropamide
- C15 H18 Cl3 N O -
- C15 H18 Cl3 N O -
- C120 H144 Cl24 N8 O8 -
8
2
NA1401
Koketsu, Mamoru; Kagabu, Shinzo; Matsuoka, Masashi
Absolute configuration of the active stereoisomer of new rice fungicide Carpropamid
Acta Crystallographica Section C
1,999
55
6
1025
1027
10.1107/S0108270199002504
0.7107
MoKα
0.0952
0.0552
null
null
null
0.0671
null
null
null
null
null
1.484
null
null
has coordinates
Koketsu, Mamoru; Kagabu, Shinzo; Matsuoka, Masashi Absolute configuration of the active stereoisomer of new rice fungicide Carpropamid Acta Crystallographica Section C 55(6) (1999) 1025-1027
301,791
2025-08-18
23:15:33
#------------------------------------------------------------------------------ #$Date: 2025-08-19 01:52:38 +0300 (Tue, 19 Aug 2025) $ #$Revision: 301791 $ #$URL: file:///home/coder/svn-repositories/_RELOADED_COD/cod-reloaded/cif/2/00/85/2008589.cif $ #-------------------------------------------------------------------...
2,008,590
7.3993
0.0002
8.9006
0.0002
11.7469
0.0003
101.651
0.001
100.54
0.001
93.448
0.001
741.11
0.03
293
2
293
2
null
null
null
null
6
P -1
-P 1
2
Chloro(di-2-pyridylamine-N,N')(propionato-O,O')copper(II) Monohydrate
- C13 H16 Cl Cu N3 O3 -
- C13 H16 Cl Cu N3 O3 -
- C26 H32 Cl2 Cu2 N6 O6 -
2
1
NA1404
Sujittra Youngme; Kandasamy Chinnakali; Suchada Chantrapromma; Hoong-Kun Fun
Chloro(di-2-pyridyl-κ<i>N</i>-amine)(propionato-κ^2^<i>O</i>,<i>O</i>')copper(II) monohydrate
Acta Crystallographica Section C
1,999
55
6
899
901
10.1107/S0108270199002048
0.71073
MoKα
0.037
0.031
null
null
null
0.087
null
null
null
null
null
1.045
null
null
has coordinates
Sujittra Youngme; Kandasamy Chinnakali; Suchada Chantrapromma; Hoong-Kun Fun Chloro(di-2-pyridyl-κ<i>N</i>-amine)(propionato-κ^2^<i>O</i>,<i>O</i>')copper(II) monohydrate Acta Crystallographica Section C 55(6) (1999) 899-901
176,759
2020-10-21
18:00:00
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4,321,954
21.9919
0.0009
16.4156
0.0007
23.3225
0.001
90
null
95.36
0.0001
90
null
8,382.8
0.6
293
2
298
2
null
null
null
null
7
P 1 21/n 1
-P 2yn
14
[12]mercuracarborand-4 . 2 K-18-crown-6 . 2 NO~3~ . 2 H~2~O . 1 (CH~3~)~2~C=O
- C35 H98 B40 Hg4 K2 N2 O21 -
- C35 H95 B40 Hg4 K2 N2 O21 -
- C140 H380 B160 Hg16 K8 N8 O84 -
4
1
Alfred A. Zinn; Carolyn B. Knobler; David E. Harwell; M. Frederick Hawthorne
Molecular Aggregates of Nitrate Ion with the Tetravalent Lewis Acid Host 12-Mercuracarborand-4: Novel Trihapto Coordination of NO3-
Inorganic Chemistry
1,999
38
2227
2230
10.1021/ic9811244
0.7107
MoKα
0.2134
0.0712
null
0.2837
0.192
null
null
null
1.12
1.361
1.361
null
null
null
has coordinates
Alfred A. Zinn; Carolyn B. Knobler; David E. Harwell; M. Frederick Hawthorne Molecular Aggregates of Nitrate Ion with the Tetravalent Lewis Acid Host 12-Mercuracarborand-4: Novel Trihapto Coordination of NO3- Inorganic Chemistry 38 (1999) 2227-2230
179,322
2020-10-21
18:00:00
#------------------------------------------------------------------------------ #$Date: 2016-03-23 15:19:29 +0200 (Wed, 23 Mar 2016) $ #$Revision: 179322 $ #$URL: file:///home/coder/svn-repositories/_RELOADED_COD/cod-reloaded/cif/4/32/19/4321954.cif $ #-------------------------------------------------------------------...
2,008,591
13.088
0.001
8.765
0.001
18.717
0.001
90
null
97.77
0.01
90
null
2,127.4
0.3
298
null
null
null
null
null
null
null
4
P 1 21/n 1
-P 2yn
14
- C34 H72 N12 P4 -
- C34 H72 N12 P4 -
- C68 H144 N24 P8 -
2
0.5
NA1406
Hökelek, Tuncer; Kılıç, Emine; Kılıç, Zeynel
<i>trans</i>-2,6-Bis(ethylamino)-2,4,4,6,8,8-hexapiperidinocyclo-2λ^5^,4λ^5^,6λ^5^,8λ^5^-tetraphosphazatetraene
Acta Crystallographica Section C
1,999
55
6
983
985
10.1107/S0108270199002474
0.71073
MoKα
null
0.037
null
null
null
0.053
null
null
null
null
null
1.2
null
null
has coordinates
Hökelek, Tuncer; Kılıç, Emine; Kılıç, Zeynel <i>trans</i>-2,6-Bis(ethylamino)-2,4,4,6,8,8-hexapiperidinocyclo-2λ^5^,4λ^5^,6λ^5^,8λ^5^-tetraphosphazatetraene Acta Crystallographica Section C 55(6) (1999) 983-985
301,791
2025-08-18
23:15:33
#------------------------------------------------------------------------------ #$Date: 2025-08-19 01:52:38 +0300 (Tue, 19 Aug 2025) $ #$Revision: 301791 $ #$URL: file:///home/coder/svn-repositories/_RELOADED_COD/cod-reloaded/cif/2/00/85/2008591.cif $ #-------------------------------------------------------------------...
2,008,592
15.578
0.001
22.428
0.001
19.406
0.001
90
null
108.83
0.01
90
null
6,417.3
0.7
293
2
293
2
null
null
null
null
6
C 1 2/c 1
-C 2yc
15
Bis(2'-formylphenyl)-1,4-dioxabutane S-methylbenzyl dithiocarbazate Cobalt(II)
- C32 H28 Co N4 O2 S4 -
- C32 H28 Co N4 O2 S4 -
- C256 H224 Co8 N32 O16 S32 -
8
1
NA1408
Hoong-Kun Fun; S. Shanmuga Sundara Raj; Xu-Hui Zhu; Xiao-Feng Chen; Jing-Lin Zuo; Xiao-Zeng You
A neutral cobalt(II) complex of a Schiff base ligand containing mixed O~2~S~2~N~2~ donors
Acta Crystallographica Section C
1,999
55
6
896
899
10.1107/S0108270199001602
0.71073
MoKα
0.133
0.059
null
0.109
null
0.087
null
null
1.036
null
null
1.145
null
null
has coordinates
Hoong-Kun Fun; S. Shanmuga Sundara Raj; Xu-Hui Zhu; Xiao-Feng Chen; Jing-Lin Zuo; Xiao-Zeng You A neutral cobalt(II) complex of a Schiff base ligand containing mixed O~2~S~2~N~2~ donors Acta Crystallographica Section C 55(6) (1999) 896-899
176,759
2020-10-21
18:00:00
#------------------------------------------------------------------------------ #$Date: 2016-02-19 16:29:56 +0200 (Fri, 19 Feb 2016) $ #$Revision: 176759 $ #$URL: file:///home/coder/svn-repositories/_RELOADED_COD/cod-reloaded/cif/2/00/85/2008592.cif $ #-------------------------------------------------------------------...
2,008,593
7.3875
0.0002
12.4718
0.0003
14.8382
0.0004
90
null
96.727
0.001
90
null
1,357.71
0.06
293
2
293
2
null
null
null
null
4
P 1 21/c 1
-P 2ybc
14
p-Methoxybenzaldehyde Isonicotinoyl Hydrazone Monohydrate
- C14 H15 N3 O3 -
- C14 H15 N3 O3 -
- C56 H60 N12 O12 -
4
1
NA1409
S.Shanmuga Sundara Raj; Hoong-Kun Fun; Zhong-Lin Lu; Wen Xiao; Ye-Xiang Tong; Bei-Sheng Kang
<i>p</i>-Methoxybenzaldehyde isonicotinoylhydrazone monohydrate
Acta Crystallographica Section C
1,999
55
6
942
944
10.1107/S0108270199002486
0.71073
MoKα
0.0722
0.0485
null
null
null
0.1413
null
null
null
null
null
1.056
null
null
has coordinates,has Fobs
S.Shanmuga Sundara Raj; Hoong-Kun Fun; Zhong-Lin Lu; Wen Xiao; Ye-Xiang Tong; Bei-Sheng Kang <i>p</i>-Methoxybenzaldehyde isonicotinoylhydrazone monohydrate Acta Crystallographica Section C 55(6) (1999) 942-944
301,791
2025-08-18
23:15:33
#------------------------------------------------------------------------------ #$Date: 2025-08-19 01:52:38 +0300 (Tue, 19 Aug 2025) $ #$Revision: 301791 $ #$URL: file:///home/coder/svn-repositories/_RELOADED_COD/cod-reloaded/cif/2/00/85/2008593.cif $ #-------------------------------------------------------------------...
2,008,594
18.46
0.004
6.552
0.0005
32.603
0.007
90
null
103.34
0.01
90
null
3,836.9
1.2
208
2
208
2
null
null
null
null
7
C 1 2/c 1
-C 2yc
15
tetraphenylphosphonium tetra(1-methyl-1,2,3,4-tetrazol-5-thiolato)aurate(III)
- C32 H33 Au N16 O0.5 P S4 -
- C32 H33 Au N16 O0.5 P S4 -
- C128 H132 Au4 N64 O2 P4 S16 -
4
0.5
NA1415
Schulz Lang, Ernesto; Dahmer, Marisa; Abram, Ulrich
Tetraphenylphosphonium tetrakis(1-methyl-1,2,3,4-tetrazole-5-thiolato-<i>S</i>)aurate(III) hemihydrate
Acta Crystallographica Section C
1,999
55
6
854
856
10.1107/S0108270199004357
0.71073
MoKα
0.043
0.024
null
null
null
0.06
null
null
null
null
null
1.056
null
null
has coordinates,has Fobs
Schulz Lang, Ernesto; Dahmer, Marisa; Abram, Ulrich Tetraphenylphosphonium tetrakis(1-methyl-1,2,3,4-tetrazole-5-thiolato-<i>S</i>)aurate(III) hemihydrate Acta Crystallographica Section C 55(6) (1999) 854-856
301,791
2025-08-18
23:15:33
#------------------------------------------------------------------------------ #$Date: 2025-08-19 01:52:38 +0300 (Tue, 19 Aug 2025) $ #$Revision: 301791 $ #$URL: file:///home/coder/svn-repositories/_RELOADED_COD/cod-reloaded/cif/2/00/85/2008594.cif $ #-------------------------------------------------------------------...
4,321,953
10.469
0.0011
13.307
0.002
15.152
0.002
74.98
0.01
78.19
0.009
83.48
0.012
1,991.5
0.5
293
2
293
2
null
null
null
null
6
P -1
-P 1
2
- C30 H50 Cl4 N6 O9 Pd2 -
- C30 H50 Cl4 N6 O9 Pd2 -
- C60 H100 Cl8 N12 O18 Pd4 -
2
1
Andrea Bencini; Antonio Bianchi; Vieri Fusi; Claudia Giorgi; Piero Paoletti; Jose; Antonio; Ramirez'; Barbara Valtancoli
Palladium(II) Complexation byp-Cyclophane Receptors. A Solution and Solid State Study
Inorganic Chemistry
1,999
38
2064
2070
10.1021/ic9810891
0.71069
MoKα
0.0976
0.079
null
0.2403
0.191
null
null
null
1.012
1.047
1.047
null
null
null
has coordinates
Andrea Bencini; Antonio Bianchi; Vieri Fusi; Claudia Giorgi; Piero Paoletti; Jose; Antonio; Ramirez'; Barbara Valtancoli Palladium(II) Complexation byp-Cyclophane Receptors. A Solution and Solid State Study Inorganic Chemistry 38 (1999) 2064-2070
179,322
2020-10-21
18:00:00
#------------------------------------------------------------------------------ #$Date: 2016-03-23 15:19:29 +0200 (Wed, 23 Mar 2016) $ #$Revision: 179322 $ #$URL: file:///home/coder/svn-repositories/_RELOADED_COD/cod-reloaded/cif/4/32/19/4321953.cif $ #-------------------------------------------------------------------...
2,008,595
7.208
0.002
6.291
0.004
14.432
0.005
90
null
104.04
0.02
90
null
634.9
0.5
293
null
null
null
null
null
null
null
4
P 1 c 1
P -2yc
7
3-(2'-hydroxyphenylamino)-5,5-dimethyl-2-cyclohexenone
- C14 H17 N O2 -
- C14 H17 N O2 -
- C28 H34 N2 O4 -
2
1
NA1416
Héctor Novoa de Armas; Norbert M. Blaton; Oswald M. Peeters; Camiel J. De Ranter; Margarita Suárez Navarro; Yamila Verdecia Reyes; Estael Ochoa Rodríguez; Esperanza Salfrán Solano
3-(2-Hydroxyphenylamino)-5,5-dimethylcyclohex-2-enone
Acta Crystallographica Section C
1,999
55
6
1029
1031
10.1107/S0108270199004369
1.54184
CuKα
0.044
0.043
null
0.133
null
0.133
null
null
1.139
null
null
1.139
null
null
has coordinates
Héctor Novoa de Armas; Norbert M. Blaton; Oswald M. Peeters; Camiel J. De Ranter; Margarita Suárez Navarro; Yamila Verdecia Reyes; Estael Ochoa Rodríguez; Esperanza Salfrán Solano 3-(2-Hydroxyphenylamino)-5,5-dimethylcyclohex-2-enone Acta Crystallographica Section C 55(6) (1999) 1029-1031
176,435
2020-10-21
18:00:00
#------------------------------------------------------------------------------ #$Date: 2016-02-14 16:26:36 +0200 (Sun, 14 Feb 2016) $ #$Revision: 176435 $ #$URL: file:///home/coder/svn-repositories/_RELOADED_COD/cod-reloaded/cif/2/00/85/2008595.cif $ #-------------------------------------------------------------------...
2,008,596
24.0723
0.0005
6.6483
0.0001
5.3569
0.0001
90
null
90
null
90
null
857.32
0.03
296
2
296
2
null
null
null
null
2
P n a 21
P 2c -2n
33
- Mo4 O11 -
- Mo4 O11 -
- Mo16 O44 -
4
1
OA1071
Hoong-Kun Fun; Ping Yang; Minoru Sasaki; Masasi Inoue; Hideoki Kadomatsu
γ-Mo~4~O~11~
Acta Crystallographica Section C
1,999
55
6
841
843
10.1107/S0108270199000165
0.71073
MoKα
0.039
0.038
null
0.093
0.092
null
null
null
1.293
1.292
1.292
null
null
null
has coordinates
Hoong-Kun Fun; Ping Yang; Minoru Sasaki; Masasi Inoue; Hideoki Kadomatsu γ-Mo~4~O~11~ Acta Crystallographica Section C 55(6) (1999) 841-843
176,759
2020-10-21
18:00:00
#------------------------------------------------------------------------------ #$Date: 2016-02-19 16:29:56 +0200 (Fri, 19 Feb 2016) $ #$Revision: 176759 $ #$URL: file:///home/coder/svn-repositories/_RELOADED_COD/cod-reloaded/cif/2/00/85/2008596.cif $ #-------------------------------------------------------------------...
2,008,597
7.712
0.005
9.617
0.005
16.155
0.003
90
null
101.88
0.03
90
null
1,172.5
1
173.2
null
173.2
null
null
null
null
null
4
P 1 21/n 1
-P 2yn
14
6-t-butyl-3-(N,N-dimethylcarbamoyl)pyridine
- C12 H18 N2 O -
- C12 H18 N2 O -
- C48 H72 N8 O4 -
4
1
OA1072
Yuji Mikata; Ryoko Maesaki
Unexpectedly produced 2-<i>tert</i>-butyl-5-(<i>N</i>,<i>N</i>-dimethylcarbamoyl)pyridine from 2-chloro-3-(<i>N</i>,<i>N</i>-dimethylcarbamoyl)pyridine with a <i>tert</i>-butyl Grignard reagent
Acta Crystallographica Section C
1,999
55
6
973
975
10.1107/S0108270198013079
0.7107
MoKα
0.0586
0.0512
null
0.0907
0.0847
null
null
null
1.419
1.42
1.42
null
null
null
has coordinates
Yuji Mikata; Ryoko Maesaki Unexpectedly produced 2-<i>tert</i>-butyl-5-(<i>N</i>,<i>N</i>-dimethylcarbamoyl)pyridine from 2-chloro-3-(<i>N</i>,<i>N</i>-dimethylcarbamoyl)pyridine with a <i>tert</i>-butyl Grignard reagent Acta Crystallographica Section C 55(6) (1999) 973-975
301,791
2025-08-18
23:15:33
#------------------------------------------------------------------------------ #$Date: 2025-08-19 01:52:38 +0300 (Tue, 19 Aug 2025) $ #$Revision: 301791 $ #$URL: file:///home/coder/svn-repositories/_RELOADED_COD/cod-reloaded/cif/2/00/85/2008597.cif $ #-------------------------------------------------------------------...
2,008,598
6.8422
0.0008
12.4
0.001
12.609
0.001
90
null
94.825
0.008
90
null
1,066
0.17
130
0.1
130
0.1
null
null
null
null
5
P 1 21/n 1
-P 2yn
14
1-allyl-2,8,9-trioxa-5-aza-1-silabicyclo[3.3.3]undecane
- C9 H17 N O3 Si -
- C9 H17 N O3 Si -
- C36 H68 N4 O12 Si4 -
4
1
OA1074
White, Jonathan M.; Jones, Scott
Low-temperature structure of allyl silatrane
Acta Crystallographica Section C
1,999
55
6
962
963
10.1107/S0108270199002371
0.71069
MoKα
0.03
0.028
null
null
null
0.074
null
null
null
null
null
1.059
null
null
has coordinates,has Fobs
White, Jonathan M.; Jones, Scott Low-temperature structure of allyl silatrane Acta Crystallographica Section C 55(6) (1999) 962-963
176,759
2020-10-21
18:00:00
#------------------------------------------------------------------------------ #$Date: 2016-02-19 16:29:56 +0200 (Fri, 19 Feb 2016) $ #$Revision: 176759 $ #$URL: file:///home/coder/svn-repositories/_RELOADED_COD/cod-reloaded/cif/2/00/85/2008598.cif $ #-------------------------------------------------------------------...
2,008,599
9.6615
0.001
9.7829
0.001
18.4857
0.001
101.784
0.01
96.993
0.01
115.568
0.01
1,498.7
0.3
293
2
293
2
null
null
null
null
6
P -1
-P 1
2
Dichloro[ferrocene-1,1'-diylbis(diphenylphosphine-P)]cobalt(II)
- C34 H28 Cl2 Co Fe P2 -
- C34 H28 Cl2 Co Fe P2 -
- C68 H56 Cl4 Co2 Fe2 P4 -
2
1
OB1001
Park, Tae-Jin; Huh, Seong; Kim, Youngmee; Jun, Moo-Jin
Dichloro[ferrocene-1,1'-diylbis(diphenylphosphine-<i>P</i>)]cobalt(II)
Acta Crystallographica Section C
1,999
55
6
848
850
10.1107/S0108270199001183
0.71073
MoKα
0.078
0.036
null
null
null
0.095
null
null
null
null
null
1.034
null
null
has coordinates
Park, Tae-Jin; Huh, Seong; Kim, Youngmee; Jun, Moo-Jin Dichloro[ferrocene-1,1'-diylbis(diphenylphosphine-<i>P</i>)]cobalt(II) Acta Crystallographica Section C 55(6) (1999) 848-850
176,759
2020-10-21
18:00:00
#------------------------------------------------------------------------------ #$Date: 2016-02-19 16:29:56 +0200 (Fri, 19 Feb 2016) $ #$Revision: 176759 $ #$URL: file:///home/coder/svn-repositories/_RELOADED_COD/cod-reloaded/cif/2/00/85/2008599.cif $ #-------------------------------------------------------------------...
4,321,952
23.739
0.005
13.37
0.005
14.903
0.005
90
0.005
90
0.005
90
0.005
4,730
3
293
2
293
2
null
null
null
null
6
P c a 21
P 2c -2ac
29
- C35 H61 Cl4 N5 O17 Pd -
- C35 H61 Cl4 N5 O17 Pd -
- C140 H244 Cl16 N20 O68 Pd4 -
4
1
Andrea Bencini; Antonio Bianchi; Vieri Fusi; Claudia Giorgi; Piero Paoletti; Jose; Antonio; Ramirez'; Barbara Valtancoli
Palladium(II) Complexation byp-Cyclophane Receptors. A Solution and Solid State Study
Inorganic Chemistry
1,999
38
2064
2070
10.1021/ic9810891
0.71069
MoKα
0.2359
0.064
null
0.2261
0.151
null
null
null
0.987
1.106
1.106
null
null
null
has coordinates
Andrea Bencini; Antonio Bianchi; Vieri Fusi; Claudia Giorgi; Piero Paoletti; Jose; Antonio; Ramirez'; Barbara Valtancoli Palladium(II) Complexation byp-Cyclophane Receptors. A Solution and Solid State Study Inorganic Chemistry 38 (1999) 2064-2070
179,322
2020-10-21
18:00:00
#------------------------------------------------------------------------------ #$Date: 2016-03-23 15:19:29 +0200 (Wed, 23 Mar 2016) $ #$Revision: 179322 $ #$URL: file:///home/coder/svn-repositories/_RELOADED_COD/cod-reloaded/cif/4/32/19/4321952.cif $ #-------------------------------------------------------------------...
2,008,600
9.641
0.004
10.251
0.004
13.893
0.005
90
null
101
0.03
90
null
1,347.8
0.9
150
null
150
null
null
null
null
null
4
P 1 21 1
P 2yb
4
- C26 H32 N2 O7 -
- C26 H32 N2 O7 -
- C52 H64 N4 O14 -
2
1
OB1005
Kazuhiro Yamato; Hiroyuki Miyake; Ken Hirotsu; Yoshitane Kojima
<i>N</i>-<i>tert</i>-Butoxycarbonyl-<i>N</i>,<i>N</i>'-ethylene-bridged (<i>S</i>)-tyrosyl-(<i>S</i>)-tyrosine methyl ester
Acta Crystallographica Section C
1,999
55
6
1023
1025
10.1107/S0108270199002449
0.7107
MoKα
null
0.039
null
null
0.042
null
null
null
null
1.962
1.962
null
null
null
has coordinates
Kazuhiro Yamato; Hiroyuki Miyake; Ken Hirotsu; Yoshitane Kojima <i>N</i>-<i>tert</i>-Butoxycarbonyl-<i>N</i>,<i>N</i>'-ethylene-bridged (<i>S</i>)-tyrosyl-(<i>S</i>)-tyrosine methyl ester Acta Crystallographica Section C 55(6) (1999) 1023-1025
301,791
2025-08-18
23:15:33
#------------------------------------------------------------------------------ #$Date: 2025-08-19 01:52:38 +0300 (Tue, 19 Aug 2025) $ #$Revision: 301791 $ #$URL: file:///home/coder/svn-repositories/_RELOADED_COD/cod-reloaded/cif/2/00/86/2008600.cif $ #-------------------------------------------------------------------...
2,008,601
9.713
0.002
12.079
0.003
7.716
0.002
93.11
0.02
106.85
0.02
81.92
0.02
857.7
0.4
224.4
null
null
null
null
null
null
null
5
P -1
-P 1
2
Bis(2-methyl-8-quinolinolate)tin(II)
- C20 H16 N2 O2 Sn -
- C20 H16 N2 O2 Sn -
- C40 H32 N4 O4 Sn2 -
2
1
OB1007
Kitamura, Chitoshi; Yoneda, Akio; Sugiura, Ken-ichi; Sakata, Yoshiteru
Bis(2-methyl-8-quinolinolato-<i>N</i>,<i>O</i>)tin(II)
Acta Crystallographica Section C
1,999
55
6
876
878
10.1107/S0108270199002887
0.7107
MoKα
0.034
0.031
null
0.089
null
0.089
null
null
1.551
null
null
1.551
null
null
has coordinates
Kitamura, Chitoshi; Yoneda, Akio; Sugiura, Ken-ichi; Sakata, Yoshiteru Bis(2-methyl-8-quinolinolato-<i>N</i>,<i>O</i>)tin(II) Acta Crystallographica Section C 55(6) (1999) 876-878
176,759
2020-10-21
18:00:00
#------------------------------------------------------------------------------ #$Date: 2016-02-19 16:29:56 +0200 (Fri, 19 Feb 2016) $ #$Revision: 176759 $ #$URL: file:///home/coder/svn-repositories/_RELOADED_COD/cod-reloaded/cif/2/00/86/2008601.cif $ #-------------------------------------------------------------------...
2,008,602
11.6141
0.0015
15.9238
0.0014
15.115
0.002
90
null
100.31
0.01
90
null
2,750.2
0.6
294
2
294
2
null
null
null
null
4
P 1 21/c 1
-P 2ybc
14
- C25 H38 B9 P -
- C25 H38 B9 P -
- C100 H152 B36 P4 -
4
1
OS1036
Sillanpää, Reijo; Pedrajas, Josefina; Viñas, Clara; Teixidor, Frances; Kivekäs, Raikko
(PMePh~3~)(7,8-Et~2~-7,8-<i>nido</i>-C~2~B~9~H~10~)
Acta Crystallographica Section C
1,999
55
6
1008
1009
10.1107/S0108270199002516
0.71069
MoKα
0.1762
0.0657
null
null
null
0.1491
null
null
null
null
null
1.006
null
null
has coordinates
Sillanpää, Reijo; Pedrajas, Josefina; Viñas, Clara; Teixidor, Frances; Kivekäs, Raikko (PMePh~3~)(7,8-Et~2~-7,8-<i>nido</i>-C~2~B~9~H~10~) Acta Crystallographica Section C 55(6) (1999) 1008-1009
176,759
2020-10-21
18:00:00
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2,008,603
9.3229
0.0003
9.2536
0.0001
14.0823
0.0004
90
null
90
null
90
null
1,214.89
0.05
293
2
293
2
null
null
null
null
5
P n a 21
P 2c -2n
33
μ-oxalato-O,O',O'', O''')(2,2'-bipyridine-N,N')Fe(II)
- C12 H8 Fe N2 O4 -
- C12 H8 Fe N2 O4 -
- C48 H32 Fe4 N8 O16 -
4
1
OS1041
Fun, Hoong-Kun; Shanmuga Sundara Raj, S.; Fang, Xia; Zheng, Li-Min; Xin, Xin-Quan
<i>catena</i>-Poly[[(2,2'-bipyridine)iron(II)]-μ-oxalato]
Acta Crystallographica Section C
1,999
55
6
903
905
10.1107/S0108270199001924
0.71073
MoKα
0.13
0.057
null
0.092
0.072
null
null
null
1.112
1.158
1.158
null
null
null
has coordinates
Fun, Hoong-Kun; Shanmuga Sundara Raj, S.; Fang, Xia; Zheng, Li-Min; Xin, Xin-Quan <i>catena</i>-Poly[[(2,2'-bipyridine)iron(II)]-μ-oxalato] Acta Crystallographica Section C 55(6) (1999) 903-905
176,759
2020-10-21
18:00:00
#------------------------------------------------------------------------------ #$Date: 2016-02-19 16:29:56 +0200 (Fri, 19 Feb 2016) $ #$Revision: 176759 $ #$URL: file:///home/coder/svn-repositories/_RELOADED_COD/cod-reloaded/cif/2/00/86/2008603.cif $ #-------------------------------------------------------------------...
2,008,604
9.8412
0.0006
15.6366
0.0007
9.4044
0.0005
90
null
90
null
90
null
1,447.18
0.13
293
2
293
2
null
null
null
null
5
P 21 21 21
P 2ac 2ab
19
6,7-dihydroxy-1-(2-methoxypropyl)-1,2,3,4-tetrahydroisoquinolinium chloride hydrate
- C13 H22 Cl N O4 -
- C13 H22 Cl N O4 -
- C52 H88 Cl4 N4 O16 -
4
1
OS1043
Domagała, Małgorzata; Rybarczyk, Agnieszka J.; Olszak, Tomasz A.; Brzezińska, Elżbieta
X-ray investigations of potential β-blockers. IV
Acta Crystallographica Section C
1,999
55
6
1003
1005
10.1107/S0108270199002383
1.54178
CuKα
0.035
0.029
null
null
null
0.08
null
null
null
null
null
1.04
null
null
has coordinates
Domagała, Małgorzata; Rybarczyk, Agnieszka J.; Olszak, Tomasz A.; Brzezińska, Elżbieta X-ray investigations of potential β-blockers. IV Acta Crystallographica Section C 55(6) (1999) 1003-1005
301,791
2025-08-18
23:15:33
#------------------------------------------------------------------------------ #$Date: 2025-08-19 01:52:38 +0300 (Tue, 19 Aug 2025) $ #$Revision: 301791 $ #$URL: file:///home/coder/svn-repositories/_RELOADED_COD/cod-reloaded/cif/2/00/86/2008604.cif $ #-------------------------------------------------------------------...
4,321,951
11.6116
0.0011
11.8126
0.001
10.3623
0.0007
97.898
0.006
96.011
0.007
80.174
0.008
1,382.4
0.2
294.2
null
294.2
null
null
null
null
null
6
P -1
-P 1
2
- C52 H48 Cl6 P4 Pd S2 -
- C52 H48 Cl6 P4 Pd0.5 S2 -
- C52 H48 Cl6 P4 Pd0.5 S2 -
1
0.5
Terrance Y. H. Wong; Steven J. Rettig; Brian R. James
Kinetic and Mechanistic Aspects of Sulfur Recovery from Pd~2~I~2~(μ-S)(μ-dpm)~2~ Using I2 and Structures of Pd(II) Complexes with the Chelated Monosulfide of dpm
Inorganic Chemistry
1,999
38
2143
2149
10.1021/ic981039w
0.7107
MoKα
null
0.036
null
null
null
0.033
null
null
null
null
null
1.77
null
null
has coordinates
Terrance Y. H. Wong; Steven J. Rettig; Brian R. James Kinetic and Mechanistic Aspects of Sulfur Recovery from Pd~2~I~2~(μ-S)(μ-dpm)~2~ Using I2 and Structures of Pd(II) Complexes with the Chelated Monosulfide of dpm Inorganic Chemistry 38 (1999) 2143-2149
176,467
2020-10-21
18:00:00
#------------------------------------------------------------------------------ #$Date: 2016-02-16 22:30:59 +0200 (Tue, 16 Feb 2016) $ #$Revision: 176467 $ #$URL: file:///home/coder/svn-repositories/_RELOADED_COD/cod-reloaded/cif/4/32/19/4321951.cif $ #-------------------------------------------------------------------...
2,008,605
6.9675
0.0001
9.5232
0.0002
11.0979
0.0003
97.556
0.001
104.298
0.001
95.403
0.001
701.2
0.03
293
2
293
2
null
null
null
null
5
P -1
-P 1
2
5-(2-Chlorophenyl)-4-phenyl-4H-1,2,4-triazole-3-thione
- C14 H10 Cl N3 S -
- C14 H10 Cl N3 S -
- C28 H20 Cl2 N6 S2 -
2
1
OS1044
Puviarasan, K.; Govindasamy, L.; Shanmuga Sundara Raj, S.; Velmurugan, D.; Jayanthi, G.; Hoong-Kun Fun
5-(2-Chlorophenyl)-4-phenyl-3,4-dihydro-2<i>H</i>-1,2,4-triazole-3-thione
Acta Crystallographica Section C
1,999
55
6
951
953
10.1107/S0108270199002796
0.71073
MoKα
0.052
0.041
null
null
null
0.109
null
null
null
null
null
1.018
null
null
has coordinates
Puviarasan, K.; Govindasamy, L.; Shanmuga Sundara Raj, S.; Velmurugan, D.; Jayanthi, G.; Hoong-Kun Fun 5-(2-Chlorophenyl)-4-phenyl-3,4-dihydro-2<i>H</i>-1,2,4-triazole-3-thione Acta Crystallographica Section C 55(6) (1999) 951-953
301,791
2025-08-18
23:15:33
#------------------------------------------------------------------------------ #$Date: 2025-08-19 01:52:38 +0300 (Tue, 19 Aug 2025) $ #$Revision: 301791 $ #$URL: file:///home/coder/svn-repositories/_RELOADED_COD/cod-reloaded/cif/2/00/86/2008605.cif $ #-------------------------------------------------------------------...
2,008,606
9.4282
0.0011
18.717
0.0012
19.6325
0.0012
90
null
103
0.002
90
null
3,375.7
0.5
295
null
null
null
null
null
null
null
7
P 1 21/c 1
-P 2ybc
14
- C31 H34 I2 N4 Ni O2 Zn -
- C31 H34 I2 N4 Ni O2 Zn -
- C124 H136 I8 N16 Ni4 O8 Zn4 -
4
1
OS1045
Arıcı, Cengiz; Ercan, Filiz; Atakol, Orhan; Akay, Abdülkadir; Ülkü, Dinçer
{[μ-Bis(salicylidene)-1,3-propanediaminato]-bis(3,5-dimethylpyridine)nickel(II)}diiodozinc(II)
Acta Crystallographica Section C
1,999
55
6
928
930
10.1107/S0108270199002802
0.71073
MoKα
null
0.025
null
null
0.033
null
null
null
null
0.98
0.98
null
null
null
has coordinates
Arıcı, Cengiz; Ercan, Filiz; Atakol, Orhan; Akay, Abdülkadir; Ülkü, Dinçer {[μ-Bis(salicylidene)-1,3-propanediaminato]-bis(3,5-dimethylpyridine)nickel(II)}diiodozinc(II) Acta Crystallographica Section C 55(6) (1999) 928-930
176,759
2020-10-21
18:00:00
#------------------------------------------------------------------------------ #$Date: 2016-02-19 16:29:56 +0200 (Fri, 19 Feb 2016) $ #$Revision: 176759 $ #$URL: file:///home/coder/svn-repositories/_RELOADED_COD/cod-reloaded/cif/2/00/86/2008606.cif $ #-------------------------------------------------------------------...
2,008,607
7.2691
0.0007
10.4214
0.0013
16.868
0.002
90
null
90
null
90
null
1,277.8
0.3
122
0.5
122
0.5
null
null
null
null
4
P 21 21 21
P 2ac 2ab
19
(S)-2-amino-3-methyl-1-butanol-(2S,3S)-hydrogen-tartrate monohydrate
- C9 H21 N O8 -
- C9 H21 N O8 -
- C36 H84 N4 O32 -
4
1
OS1047
Bruun, Rikke Mattsson; Larsen, Sine
(<i>S</i>)-2-Amino-3-methyl-1-butanol (2<i>S</i>,3<i>S</i>)-hydrogen tartrate monohydrate
Acta Crystallographica Section C
1,999
55
6
956
958
10.1107/S0108270199003042
1.54184
CuKα
0.0262
0.0256
null
null
null
0.0731
null
null
null
null
null
1.077
null
null
has coordinates
Bruun, Rikke Mattsson; Larsen, Sine (<i>S</i>)-2-Amino-3-methyl-1-butanol (2<i>S</i>,3<i>S</i>)-hydrogen tartrate monohydrate Acta Crystallographica Section C 55(6) (1999) 956-958
301,791
2025-08-18
23:15:33
#------------------------------------------------------------------------------ #$Date: 2025-08-19 01:52:38 +0300 (Tue, 19 Aug 2025) $ #$Revision: 301791 $ #$URL: file:///home/coder/svn-repositories/_RELOADED_COD/cod-reloaded/cif/2/00/86/2008607.cif $ #-------------------------------------------------------------------...
2,008,608
9.7934
0.0002
9.5005
0.0001
15.2958
0.0001
90
null
102.297
0.001
90
null
1,390.5
0.03
293
2
293
2
null
null
null
null
4
P 1 21/n 1
-P 2yn
14
7-methyl-3-(2-methylphenyl)-1,2,4-triazolo-[3,4-b][1,3]benzothiazole
- C16 H13 N3 S -
- C16 H13 N3 S -
- C64 H52 N12 S4 -
4
1
OS1049
Puviarasan, K.; Govindasamy, L.; Shanmuga Sundara Raj, S.; Velmurugan, D.; Jayanthi, G.; Hoong-Kun Fun
7-Methyl-3-(2-methylphenyl)-1,2,4-triazolo[3,4-<i>b</i>][1,3]benzothiazole, (I), and 7-methyl-3-(4-methylphenyl)-1,2,4-triazolo[3,4-<i>b</i>][1,3]benzothiazole, (II)
Acta Crystallographica Section C
1,999
55
6
948
951
10.1107/S0108270199000864
0.71073
MoKα
0.119
0.056
null
null
null
0.163
null
null
null
null
null
0.959
null
null
has coordinates,has Fobs
Puviarasan, K.; Govindasamy, L.; Shanmuga Sundara Raj, S.; Velmurugan, D.; Jayanthi, G.; Hoong-Kun Fun 7-Methyl-3-(2-methylphenyl)-1,2,4-triazolo[3,4-<i>b</i>][1,3]benzothiazole, (I), and 7-methyl-3-(4-methylphenyl)-1,2,4-triazolo[3,4-<i>b</i>][1,3]benzothiazole, (II) Acta Crystallographica Section C 55(6) (1999) 948-9...
301,791
2025-08-18
23:15:33
#------------------------------------------------------------------------------ #$Date: 2025-08-19 01:52:38 +0300 (Tue, 19 Aug 2025) $ #$Revision: 301791 $ #$URL: file:///home/coder/svn-repositories/_RELOADED_COD/cod-reloaded/cif/2/00/86/2008608.cif $ #-------------------------------------------------------------------...
4,321,950
9.378
0.002
14.231
0.003
21.049
0.002
90
null
91.603
0.015
90
null
2,808.1
0.9
294.2
null
294.2
null
null
null
null
null
7
P 1 21/n 1
-P 2yn
14
- C25.5 H23 Cl I2 P2 Pd S -
- C25.5 H22 Cl I2 P2 Pd S -
- C102 H88 Cl4 I8 P8 Pd4 S4 -
4
1
Terrance Y. H. Wong; Steven J. Rettig; Brian R. James
Kinetic and Mechanistic Aspects of Sulfur Recovery from Pd~2~I~2~(μ-S)(μ-dpm)~2~ Using I2 and Structures of Pd(II) Complexes with the Chelated Monosulfide of dpm
Inorganic Chemistry
1,999
38
2143
2149
10.1021/ic981039w
0.7107
MoKα
null
0.035
null
null
null
0.028
null
null
null
null
null
1.32
null
null
has coordinates
Terrance Y. H. Wong; Steven J. Rettig; Brian R. James Kinetic and Mechanistic Aspects of Sulfur Recovery from Pd~2~I~2~(μ-S)(μ-dpm)~2~ Using I2 and Structures of Pd(II) Complexes with the Chelated Monosulfide of dpm Inorganic Chemistry 38 (1999) 2143-2149
176,467
2020-10-21
18:00:00
#------------------------------------------------------------------------------ #$Date: 2016-02-16 22:30:59 +0200 (Tue, 16 Feb 2016) $ #$Revision: 176467 $ #$URL: file:///home/coder/svn-repositories/_RELOADED_COD/cod-reloaded/cif/4/32/19/4321950.cif $ #-------------------------------------------------------------------...
2,008,609
24.482
0.0012
7.5509
0.0004
7.506
0.0004
90
null
90
null
90
null
1,387.57
0.12
293
2
293
2
null
null
null
null
4
P c a 21
P 2c -2ac
29
7-methyl-3-(4-methylphenyl)-1,2,4-triazolo-[3,4-b][1,3]benzothiazole
- C16 H13 N3 S -
- C16 H13 N3 S -
- C64 H52 N12 S4 -
4
1
OS1049
Puviarasan, K.; Govindasamy, L.; Shanmuga Sundara Raj, S.; Velmurugan, D.; Jayanthi, G.; Hoong-Kun Fun
7-Methyl-3-(2-methylphenyl)-1,2,4-triazolo[3,4-<i>b</i>][1,3]benzothiazole, (I), and 7-methyl-3-(4-methylphenyl)-1,2,4-triazolo[3,4-<i>b</i>][1,3]benzothiazole, (II)
Acta Crystallographica Section C
1,999
55
6
948
951
10.1107/S0108270199000864
0.71073
MoKα
0.064
0.048
null
null
null
0.125
null
null
null
null
null
1.016
null
null
has coordinates,has Fobs
Puviarasan, K.; Govindasamy, L.; Shanmuga Sundara Raj, S.; Velmurugan, D.; Jayanthi, G.; Hoong-Kun Fun 7-Methyl-3-(2-methylphenyl)-1,2,4-triazolo[3,4-<i>b</i>][1,3]benzothiazole, (I), and 7-methyl-3-(4-methylphenyl)-1,2,4-triazolo[3,4-<i>b</i>][1,3]benzothiazole, (II) Acta Crystallographica Section C 55(6) (1999) 948-9...
301,791
2025-08-18
23:15:33
#------------------------------------------------------------------------------ #$Date: 2025-08-19 01:52:38 +0300 (Tue, 19 Aug 2025) $ #$Revision: 301791 $ #$URL: file:///home/coder/svn-repositories/_RELOADED_COD/cod-reloaded/cif/2/00/86/2008609.cif $ #-------------------------------------------------------------------...
2,008,610
6.573
0.005
10.687
0.005
30.531
0.005
90
null
90
null
90
null
2,144.7
1.9
293
2
293
2
null
null
null
null
6
P b c a
-P 2ac 2ab
61
2,4-dicholoro-5-nitrobenzoic sodium dihydrate
- C7 H6 Cl2 N Na O6 -
- C7 H6 Cl2 N Na O6 -
- C56 H48 Cl16 N8 Na8 O48 -
8
1
QA0071
Morales, Angel Dago; Novoa de Armas, Héctor; Lisbet Xuárez Marill; Rolando Pellón Comdom; García-Granda, Santiago
Sodium 2,4-dichloro-5-nitrobenzoate dihydrate
Acta Crystallographica Section C
1,999
55
6
IUC9900056
10.1107/S0108270199099382
0.71069
MoKα
0.122
0.057
null
0.197
0.138
null
null
null
1.204
1.266
1.266
null
null
null
has coordinates
Morales, Angel Dago; Novoa de Armas, Héctor; Lisbet Xuárez Marill; Rolando Pellón Comdom; García-Granda, Santiago Sodium 2,4-dichloro-5-nitrobenzoate dihydrate Acta Crystallographica Section C 55(6) (1999) IUC9900056
301,791
2025-08-18
23:15:33
#------------------------------------------------------------------------------ #$Date: 2025-08-19 01:52:38 +0300 (Tue, 19 Aug 2025) $ #$Revision: 301791 $ #$URL: file:///home/coder/svn-repositories/_RELOADED_COD/cod-reloaded/cif/2/00/86/2008610.cif $ #-------------------------------------------------------------------...
2,008,611
7.507
0.001
7.507
0.001
7.507
0.001
92.29
0.02
92.29
0.02
92.29
0.02
422.02
0.1
293
2
293
2
null
null
null
null
5
R -3 :R
-P 3*
148
Sodium iodide tris(1,4-dioxane)
- C12 H24 I Na O6 -
- C12 H24 I Na O6 -
- C12 H24 I Na O6 -
1
0.166667
QA0095
Belsky, Vitaly K.; Maslennikova, Vera I.
Sodium tris(1,4-dioxane) iodide
Acta Crystallographica Section C
1,999
55
6
IUC9900057
10.1107/S0108270199099370
0.71073
MoKα
0.022
0.022
null
null
null
0.063
null
null
null
null
null
1.108
null
null
has coordinates,has Fobs
Belsky, Vitaly K.; Maslennikova, Vera I. Sodium tris(1,4-dioxane) iodide Acta Crystallographica Section C 55(6) (1999) IUC9900057
301,791
2025-08-18
23:15:33
#------------------------------------------------------------------------------ #$Date: 2025-08-19 01:52:38 +0300 (Tue, 19 Aug 2025) $ #$Revision: 301791 $ #$URL: file:///home/coder/svn-repositories/_RELOADED_COD/cod-reloaded/cif/2/00/86/2008611.cif $ #-------------------------------------------------------------------...
2,008,612
8.1525
0.0005
7.9948
0.0005
12.7269
0.0006
90
null
108.008
0.004
90
null
788.87
0.08
293
2
293
1
null
null
null
null
5
P 1 21/n 1
-P 2yn
14
none
Bis(3-acetylamino-1,2,4-triazole-O,N^4^) dinitratocopper (II)
- C8 H12 Cu N10 O8 -
- C8 H12 Cu N10 O8 -
- C16 H24 Cu2 N20 O16 -
2
0.5
QA0112
Virovets, Alexander V.; Naumov, Dmitry Yu.; Lavrenova, Ludmila G.; Bushuev, Mark B.
Bis(3-acetylamino-1,2,4-triazole-<i>O</i>,<i>N</i>^4^)bis(nitrato-<i>O</i>)copper(II)
Acta Crystallographica Section C
1,999
55
6
IUC9900059
10.1107/S0108270199099357
0.71069
MoKα
0.04
0.034
null
null
null
0.104
null
null
null
null
null
1.08
null
null
has coordinates
Virovets, Alexander V.; Naumov, Dmitry Yu.; Lavrenova, Ludmila G.; Bushuev, Mark B. Bis(3-acetylamino-1,2,4-triazole-<i>O</i>,<i>N</i>^4^)bis(nitrato-<i>O</i>)copper(II) Acta Crystallographica Section C 55(6) (1999) IUC9900059
301,791
2025-08-18
23:15:33
#------------------------------------------------------------------------------ #$Date: 2025-08-19 01:52:38 +0300 (Tue, 19 Aug 2025) $ #$Revision: 301791 $ #$URL: file:///home/coder/svn-repositories/_RELOADED_COD/cod-reloaded/cif/2/00/86/2008612.cif $ #-------------------------------------------------------------------...
2,008,613
6.676
0.001
5.567
0.0009
11.471
0.003
90
null
103.88
0.04
90
null
413.87
0.16
293
2
293
2
null
null
null
null
3
P 1 21/n 1
-P 2yn
14
N,N'-Dimethyl-2,2'-biimidazole
- C8 H10 N4 -
- C8 H10 N4 -
- C16 H20 N8 -
2
0.5
QA0113
Therrien, Bruno; Beauchamp, André L.
1,1'-Dimethyl-2,2'-biimidazole
Acta Crystallographica Section C
1,999
55
6
IUC9900054
10.1107/S0108270199099321
0.71069
MoKα
0.048
0.036
null
0.088
null
0.084
null
null
0.911
null
null
1.027
null
null
has coordinates,has Fobs
Therrien, Bruno; Beauchamp, André L. 1,1'-Dimethyl-2,2'-biimidazole Acta Crystallographica Section C 55(6) (1999) IUC9900054
301,791
2025-08-18
23:15:33
#------------------------------------------------------------------------------ #$Date: 2025-08-19 01:52:38 +0300 (Tue, 19 Aug 2025) $ #$Revision: 301791 $ #$URL: file:///home/coder/svn-repositories/_RELOADED_COD/cod-reloaded/cif/2/00/86/2008613.cif $ #-------------------------------------------------------------------...
2,008,614
11.046
0.001
12.545
0.001
13.624
0.001
90
null
90
null
90
null
1,887.9
0.3
298
null
null
null
null
null
null
null
3
P 21 21 21
P 2ac 2ab
19
- C17 H24 Br4 -
- C17 H24 Br4 -
- C68 H96 Br16 -
4
1
QA0114
Auhmani, A.; Kossareva, E.; Lassaba, E.; Réglier, M.; Pierrot, M.; Benharref, A.
Cyclopropanation reactions on α-<i>cis</i>-himachalene and a β-himachalene
Acta Crystallographica Section C
1,999
55
6
IUC9900055
10.1107/S010827019909931X
0.71073
MoKα
null
0.041
null
null
0.071
null
null
null
null
1.65
1.65
null
null
null
has coordinates
Auhmani, A.; Kossareva, E.; Lassaba, E.; Réglier, M.; Pierrot, M.; Benharref, A. Cyclopropanation reactions on α-<i>cis</i>-himachalene and a β-himachalene Acta Crystallographica Section C 55(6) (1999) IUC9900055
301,791
2025-08-18
23:15:33
#------------------------------------------------------------------------------ #$Date: 2025-08-19 01:52:38 +0300 (Tue, 19 Aug 2025) $ #$Revision: 301791 $ #$URL: file:///home/coder/svn-repositories/_RELOADED_COD/cod-reloaded/cif/2/00/86/2008614.cif $ #-------------------------------------------------------------------...
4,321,949
17.5677
0.0003
42.8491
0.0003
21.0196
0.0003
90
null
90.613
0.001
90
null
15,821.8
0.4
169
null
273.2
null
null
null
null
null
7
P 1 21/n 1
-P 2yn
14
- C80 H72 F6 Mo N8 P Ru -
- C92.5 H85 Cl F6 Mo N8 P Ru -
- C740 H680 Cl8 F48 Mo8 N64 P8 Ru8 -
8
2
James P. Collman; S. T. Harford; Stefan Franzen; Jean-Claude Marchon; Pascale Maldivi; Andrew P. Shreve; William H. Woodruff
Resonance Raman, X-ray Crystallographic, and Magnetic Susceptibility Studies of Metal-Metal-Bonded MoRu and WOs Porphyrin Dimers. 1. Evidence for an Unusual MO Diagram
Inorganic Chemistry
1,999
38
2085
2092
10.1021/ic981032e
0.7107
MoKalpha
null
0.08
null
null
0.093
null
null
null
null
2.15
2.15
null
null
null
has coordinates
James P. Collman; S. T. Harford; Stefan Franzen; Jean-Claude Marchon; Pascale Maldivi; Andrew P. Shreve; William H. Woodruff Resonance Raman, X-ray Crystallographic, and Magnetic Susceptibility Studies of Metal-Metal-Bonded MoRu and WOs Porphyrin Dimers. 1. Evidence for an Unusual MO Diagram Inorganic Chemistry 38 (199...
176,467
2020-10-21
18:00:00
#------------------------------------------------------------------------------ #$Date: 2016-02-16 22:30:59 +0200 (Tue, 16 Feb 2016) $ #$Revision: 176467 $ #$URL: file:///home/coder/svn-repositories/_RELOADED_COD/cod-reloaded/cif/4/32/19/4321949.cif $ #-------------------------------------------------------------------...
2,008,615
11.018
0.001
12.278
0.001
13.299
0.001
90
null
90
null
90
null
1,799.1
0.3
298
null
null
null
null
null
null
null
3
P 21 21 21
P 2ac 2ab
19
- C17 H24 Cl4 -
- C17 H24 Cl4 -
- C68 H96 Cl16 -
4
1
QA0114
Auhmani, A.; Kossareva, E.; Lassaba, E.; Réglier, M.; Pierrot, M.; Benharref, A.
Cyclopropanation reactions on α-<i>cis</i>-himachalene and a β-himachalene
Acta Crystallographica Section C
1,999
55
6
IUC9900055
10.1107/S010827019909931X
0.71073
MoKα
null
0.048
null
null
0.131
null
null
null
null
1.484
1.484
null
null
null
has coordinates
Auhmani, A.; Kossareva, E.; Lassaba, E.; Réglier, M.; Pierrot, M.; Benharref, A. Cyclopropanation reactions on α-<i>cis</i>-himachalene and a β-himachalene Acta Crystallographica Section C 55(6) (1999) IUC9900055
301,791
2025-08-18
23:15:33
#------------------------------------------------------------------------------ #$Date: 2025-08-19 01:52:38 +0300 (Tue, 19 Aug 2025) $ #$Revision: 301791 $ #$URL: file:///home/coder/svn-repositories/_RELOADED_COD/cod-reloaded/cif/2/00/86/2008615.cif $ #-------------------------------------------------------------------...
2,008,616
9.599
0.001
11.922
0.001
13.517
0.001
90
null
90
null
90
null
1,546.9
0.2
298
null
null
null
null
null
null
null
3
P 21 21 21
P 2ac 2ab
19
- C16 H24 Cl2 -
- C16 H24 Cl2 -
- C64 H96 Cl8 -
4
1
QA0114
Auhmani, A.; Kossareva, E.; Lassaba, E.; Réglier, M.; Pierrot, M.; Benharref, A.
Cyclopropanation reactions on α-<i>cis</i>-himachalene and a β-himachalene
Acta Crystallographica Section C
1,999
55
6
IUC9900055
10.1107/S010827019909931X
0.71073
MoKα
null
0.063
null
null
0.134
null
null
null
null
1.469
1.469
null
null
null
has coordinates
Auhmani, A.; Kossareva, E.; Lassaba, E.; Réglier, M.; Pierrot, M.; Benharref, A. Cyclopropanation reactions on α-<i>cis</i>-himachalene and a β-himachalene Acta Crystallographica Section C 55(6) (1999) IUC9900055
301,791
2025-08-18
23:15:33
#------------------------------------------------------------------------------ #$Date: 2025-08-19 01:52:38 +0300 (Tue, 19 Aug 2025) $ #$Revision: 301791 $ #$URL: file:///home/coder/svn-repositories/_RELOADED_COD/cod-reloaded/cif/2/00/86/2008616.cif $ #-------------------------------------------------------------------...
2,008,617
7.153
0.001
11.035
0.002
26.824
0.004
90
null
90
null
90
null
2,117.3
0.6
295
2
295
2
null
null
null
null
4
P 21 21 21
P 2ac 2ab
19
(1S,2R)-di-p-methoxyphenyl ammonium alcohol-L-tartrate-water
- C20 H27 N O10 -
- C20 H27 N O10 -
- C80 H108 N4 O40 -
4
1
QA0116
Jian, Liao; Chen, Daimo; Jiang, Yaozhong; Yu, Kaibei; Chan, Albert S. C.
[2-Hydroxy-(1<i>S</i>,2<i>R</i>)-1,2-bis(4-methoxyphenyl)ethyl]ammonium <small>L</small>-tartrate hydrate
Acta Crystallographica Section C
1,999
55
6
IUC9900053
10.1107/S0108270199099308
0.71073
MoKα
0.067
0.036
null
0.103
0.073
null
null
null
0.826
0.973
0.973
null
null
null
has coordinates,has Fobs
Jian, Liao; Chen, Daimo; Jiang, Yaozhong; Yu, Kaibei; Chan, Albert S. C. [2-Hydroxy-(1<i>S</i>,2<i>R</i>)-1,2-bis(4-methoxyphenyl)ethyl]ammonium <small>L</small>-tartrate hydrate Acta Crystallographica Section C 55(6) (1999) IUC9900053
301,791
2025-08-18
23:15:33
#------------------------------------------------------------------------------ #$Date: 2025-08-19 01:52:38 +0300 (Tue, 19 Aug 2025) $ #$Revision: 301791 $ #$URL: file:///home/coder/svn-repositories/_RELOADED_COD/cod-reloaded/cif/2/00/86/2008617.cif $ #-------------------------------------------------------------------...
2,008,618
5.993
0.004
5.993
0.004
12.574
0.008
90
null
90
null
90
null
451.6
0.5
150
2
150
2
null
null
null
null
4
I 41/a :2
-I 4ad
88
ammonium periodate
Ammonium tetraoxoiodate(VII)
- H4 I N O4 -
- H4 I N O4 -
- H16 I4 N4 O16 -
4
0.25
QA0117
Levason, William; Webster, Michael
Ammonium tetraoxoiodate(VII)
Acta Crystallographica Section C
1,999
55
6
IUC9900052
10.1107/S0108270199099394
0.71073
MoKα
0.022
0.018
null
null
null
0.049
null
null
null
null
null
1.091
null
null
has coordinates,has Fobs
Levason, William; Webster, Michael Ammonium tetraoxoiodate(VII) Acta Crystallographica Section C 55(6) (1999) IUC9900052
301,791
2025-08-18
23:15:33
#------------------------------------------------------------------------------ #$Date: 2025-08-19 01:52:38 +0300 (Tue, 19 Aug 2025) $ #$Revision: 301791 $ #$URL: file:///home/coder/svn-repositories/_RELOADED_COD/cod-reloaded/cif/2/00/86/2008618.cif $ #-------------------------------------------------------------------...
2,008,619
7.3408
0.0002
8.632
0.0002
15.0033
0.0003
73.476
0.001
85.741
0.001
70.288
0.001
857.78
0.04
293
2
293
2
null
null
null
null
5
P -1
-P 1
2
hexaaquonickel(II) diaquo-μ-triethylenetetraaminehexaacetatodinickel(II) tetrahydrate
- C18 H48 N4 Ni3 O24 -
- C18 H48 N4 Ni3 O24 -
- C18 H48 N4 Ni3 O24 -
1
0.5
QA0118
Li, Dong-Feng; Liao, Zhan-Ru; Xiong, Yun
A dinuclear nickel(II) complex with triethylenetetraaminehexaacetic acid
Acta Crystallographica Section C
1,999
55
6
IUC9900058
10.1107/S0108270199099369
0.71073
MoKα
0.033
0.028
null
0.077
0.075
null
null
null
1.026
1.08
1.08
null
null
null
has coordinates
Li, Dong-Feng; Liao, Zhan-Ru; Xiong, Yun A dinuclear nickel(II) complex with triethylenetetraaminehexaacetic acid Acta Crystallographica Section C 55(6) (1999) IUC9900058
301,791
2025-08-18
23:15:33
#------------------------------------------------------------------------------ #$Date: 2025-08-19 01:52:38 +0300 (Tue, 19 Aug 2025) $ #$Revision: 301791 $ #$URL: file:///home/coder/svn-repositories/_RELOADED_COD/cod-reloaded/cif/2/00/86/2008619.cif $ #-------------------------------------------------------------------...
2,008,620
15.7794
0.0004
4.8525
0.0002
9.8771
0.0003
90
null
97.952
0.001
90
null
749.01
0.04
150
2
150
2
null
null
null
null
4
P 1 21/c 1
-P 2ybc
14
DL-aminophenyl acetic acid
DL-2-amino-2-phenyl ethanoic acid
- C8 H9 N O2 -
- C8 H9 N O2 -
- C32 H36 N4 O8 -
4
1
QA0123
Dalhus, Bjørn; Görbitz, Carl Henrik
<small>DL</small>-Aminophenylacetic acid
Acta Crystallographica Section C
1,999
55
6
IUC9900061
10.1107/S0108270199099291
0.71073
MoKα
0.097
0.058
null
0.158
null
0.139
null
null
1.033
null
null
1.11
null
null
has coordinates
Dalhus, Bjørn; Görbitz, Carl Henrik <small>DL</small>-Aminophenylacetic acid Acta Crystallographica Section C 55(6) (1999) IUC9900061
301,791
2025-08-18
23:15:33
#------------------------------------------------------------------------------ #$Date: 2025-08-19 01:52:38 +0300 (Tue, 19 Aug 2025) $ #$Revision: 301791 $ #$URL: file:///home/coder/svn-repositories/_RELOADED_COD/cod-reloaded/cif/2/00/86/2008620.cif $ #-------------------------------------------------------------------...
2,008,621
8.5125
0.0002
18.262
0.0004
11.2164
0.0002
90
null
105.328
0.001
90
null
1,681.62
0.06
293
2
293
2
null
null
null
null
5
P 1 21/m 1
-P 2yb
11
- C28 H24 Cl8 P2 Pd -
- C28 H24 Cl8 P2 Pd -
- C56 H48 Cl16 P4 Pd2 -
2
0.5
QA0124
Juanatey, Pilar; Suárez, Antonio; López, Margarita; Vila, José M.; Ortigueira, Juan M.; Fernández, Alberto
<i>cis</i>-[1,2-Bis(diphenylphosphino)ethene]dichloropalladium(II) bis(trichloromethane) solvate
Acta Crystallographica Section C
1,999
55
6
IUC9900062
10.1107/S0108270199099345
0.71073
MoKα
0.054
0.041
null
null
null
0.116
null
null
null
null
null
1.028
null
null
has coordinates,has disorder
Juanatey, Pilar; Suárez, Antonio; López, Margarita; Vila, José M.; Ortigueira, Juan M.; Fernández, Alberto <i>cis</i>-[1,2-Bis(diphenylphosphino)ethene]dichloropalladium(II) bis(trichloromethane) solvate Acta Crystallographica Section C 55(6) (1999) IUC9900062
176,759
2020-10-21
18:00:00
#------------------------------------------------------------------------------ #$Date: 2016-02-19 16:29:56 +0200 (Fri, 19 Feb 2016) $ #$Revision: 176759 $ #$URL: file:///home/coder/svn-repositories/_RELOADED_COD/cod-reloaded/cif/2/00/86/2008621.cif $ #-------------------------------------------------------------------...
4,321,948
8.1582
0.0002
14.9903
0.0002
26.7268
0.0004
90
null
90.6568
0.0008
90
null
3,268.31
0.1
198
2
198
2
null
null
null
null
6
P 1 21/c 1
-P 2ybc
14
- C10 H18 O3 S3 Si W -
- C10 H18 O3 S3 Si W -
- C80 H144 O24 S24 Si8 W8 -
8
2
Hing W. Yim; Linh M. Tran; Ebern D. Dobbin; Daniel Rabinovich; Louise M. Liable-Sands; Christopher D. Incarvito; Kin-Chung Lam; Arnold L. Rheingold
Tris[(alkylthio)methyl]silanes: Syntheses and Structures of Chromium, Molybdenum, and Tungsten Complexes with a Tripodal Thioether Ligand
Inorganic Chemistry
1,999
38
2211
2215
10.1021/ic981001j
0.71073
MoKα
0.0756
0.0404
null
null
0.0762
0.0902
null
null
null
null
null
0.871
null
null
has coordinates
Hing W. Yim; Linh M. Tran; Ebern D. Dobbin; Daniel Rabinovich; Louise M. Liable-Sands; Christopher D. Incarvito; Kin-Chung Lam; Arnold L. Rheingold Tris[(alkylthio)methyl]silanes: Syntheses and Structures of Chromium, Molybdenum, and Tungsten Complexes with a Tripodal Thioether Ligand Inorganic Chemistry 38 (1999) 2211...
179,322
2020-10-21
18:00:00
#------------------------------------------------------------------------------ #$Date: 2016-03-23 15:19:29 +0200 (Wed, 23 Mar 2016) $ #$Revision: 179322 $ #$URL: file:///home/coder/svn-repositories/_RELOADED_COD/cod-reloaded/cif/4/32/19/4321948.cif $ #-------------------------------------------------------------------...
2,008,622
9.6489
0.0009
13.0543
0.0011
14.1245
0.0007
90
null
101.173
0.006
90
null
1,745.4
0.2
293
2
293
2
null
null
null
null
5
P 1 21/n 1
-P 2yn
14
8-Chloro-11-(4-methylpiperazin-1-yl)dibenzo[b,f]-1,4-selenazepine
- C18 H18 Cl N3 Se -
- C18 H18 Cl N3 Se -
- C72 H72 Cl4 N12 Se4 -
4
1
QA0125
Dupont, Léon; Pignon, Bernard; Christiaens, Léon
8-Chloro-11-(4-methylpiperazin-1-yl)dibenzo[<i>b</i>,<i>f</i>]-1,4-selenazepine
Acta Crystallographica Section C
1,999
55
6
IUC9900064
10.1107/S010827019909928X
1.5418
CuKα
0.049
0.035
null
null
null
0.1
null
null
null
null
null
1.007
null
null
has coordinates
Dupont, Léon; Pignon, Bernard; Christiaens, Léon 8-Chloro-11-(4-methylpiperazin-1-yl)dibenzo[<i>b</i>,<i>f</i>]-1,4-selenazepine Acta Crystallographica Section C 55(6) (1999) IUC9900064
301,791
2025-08-18
23:15:33
#------------------------------------------------------------------------------ #$Date: 2025-08-19 01:52:38 +0300 (Tue, 19 Aug 2025) $ #$Revision: 301791 $ #$URL: file:///home/coder/svn-repositories/_RELOADED_COD/cod-reloaded/cif/2/00/86/2008622.cif $ #-------------------------------------------------------------------...
2,008,623
21.913
0.002
5.254
0.002
23.553
0.002
90
null
112.41
0.02
90
null
2,506.9
1.1
293
2
null
null
null
null
null
null
3
C 1 2/c 1
-C 2yc
15
6-(cyclohexylmethylene)salicylic acid
- C14 H18 O3 -
- C14 H18 O3 -
- C112 H144 O24 -
8
1
QA0126
Bourne, Susan A; Green, Ivan R; Tocoli, Felismino E
Analogues of anacardic acids: 6-(cyclohexylmethyl)salicylic acid and 6-(2-cyclohexylethyl)salicylic acid
Acta Crystallographica Section C
1,999
55
6
IUC9900063
10.1107/S0108270199099278
0.7107
MoKα
null
0.0513
null
null
null
0.1741
null
null
null
null
null
1.056
null
null
has coordinates,has Fobs
Bourne, Susan A; Green, Ivan R; Tocoli, Felismino E Analogues of anacardic acids: 6-(cyclohexylmethyl)salicylic acid and 6-(2-cyclohexylethyl)salicylic acid Acta Crystallographica Section C 55(6) (1999) IUC9900063
301,791
2025-08-18
23:15:33
#------------------------------------------------------------------------------ #$Date: 2025-08-19 01:52:38 +0300 (Tue, 19 Aug 2025) $ #$Revision: 301791 $ #$URL: file:///home/coder/svn-repositories/_RELOADED_COD/cod-reloaded/cif/2/00/86/2008623.cif $ #-------------------------------------------------------------------...
2,008,624
12.2361
0.0008
17.152
0.002
6.4725
0.0006
90
null
97.01
0.004
90
null
1,348.3
0.2
293
2
null
null
null
null
null
null
3
P 1 21/c 1
-P 2ybc
14
6-(2'-cyclohexylethylene)salicylic acid
- C15 H20 O3 -
- C15 H20 O3 -
- C60 H80 O12 -
4
1
QA0126
Bourne, Susan A; Green, Ivan R; Tocoli, Felismino E
Analogues of anacardic acids: 6-(cyclohexylmethyl)salicylic acid and 6-(2-cyclohexylethyl)salicylic acid
Acta Crystallographica Section C
1,999
55
6
IUC9900063
10.1107/S0108270199099278
0.7107
MoKα
null
0.0628
null
null
null
0.2205
null
null
null
null
null
1.075
null
null
has coordinates,has Fobs
Bourne, Susan A; Green, Ivan R; Tocoli, Felismino E Analogues of anacardic acids: 6-(cyclohexylmethyl)salicylic acid and 6-(2-cyclohexylethyl)salicylic acid Acta Crystallographica Section C 55(6) (1999) IUC9900063
301,791
2025-08-18
23:15:33
#------------------------------------------------------------------------------ #$Date: 2025-08-19 01:52:38 +0300 (Tue, 19 Aug 2025) $ #$Revision: 301791 $ #$URL: file:///home/coder/svn-repositories/_RELOADED_COD/cod-reloaded/cif/2/00/86/2008624.cif $ #-------------------------------------------------------------------...
2,008,625
11.9149
0.0005
16.8717
0.0006
18.1365
0.0004
90
null
106.193
0.006
90
null
3,501.2
0.2
293
2
293
2
null
null
null
null
5
P 1 21/n 1
-P 2yn
14
Triquinolinium hexanitratolanthate(III) monohydrate
- C27 H26 La N9 O19 -
- C27 H26 La N9 O19 -
- C108 H104 La4 N36 O76 -
4
1
QA0127
Yong Cui; Fakun Zheng; Jiutong Chen; Jinshun Huang
Triquinolinium hexanitratolanthate(III) monohydrate
Acta Crystallographica Section C
1,999
55
6
IUC9900065
10.1107/S0108270199099333
0.71073
MoKα
0.036
0.029
null
0.066
null
0.064
null
null
1.153
null
null
1.171
null
null
has coordinates
Yong Cui; Fakun Zheng; Jiutong Chen; Jinshun Huang Triquinolinium hexanitratolanthate(III) monohydrate Acta Crystallographica Section C 55(6) (1999) IUC9900065
301,791
2025-08-18
23:15:33
#------------------------------------------------------------------------------ #$Date: 2025-08-19 01:52:38 +0300 (Tue, 19 Aug 2025) $ #$Revision: 301791 $ #$URL: file:///home/coder/svn-repositories/_RELOADED_COD/cod-reloaded/cif/2/00/86/2008625.cif $ #-------------------------------------------------------------------...
2,008,626
5.91
0.001
11.21
0.002
15.961
0.002
90
null
90
null
90
null
1,057.4
0.3
292
2
292
2
null
null
null
null
4
P 21 21 21
P 2ac 2ab
19
- C11 H15 O2 P -
- C11 H15 O2 P -
- C44 H60 O8 P4 -
4
1
QB0096
Deng, Jingen; He, Ze; Yu, Kaibai; Mi, Aiqiao; Jiang, Yaozhong
(2<i>R</i>,<i>S</i>~P~)-2-Hydroxymethyl-1-phenylphospholane 1-oxide
Acta Crystallographica Section C
1,999
55
6
IUC9900060
10.1107/S0108270199099266
0.71073
MoKα
0.035
0.03
null
0.075
0.074
null
null
null
0.984
1.035
1.035
null
null
null
has coordinates
Deng, Jingen; He, Ze; Yu, Kaibai; Mi, Aiqiao; Jiang, Yaozhong (2<i>R</i>,<i>S</i>~P~)-2-Hydroxymethyl-1-phenylphospholane 1-oxide Acta Crystallographica Section C 55(6) (1999) IUC9900060
301,791
2025-08-18
23:15:33
#------------------------------------------------------------------------------ #$Date: 2025-08-19 01:52:38 +0300 (Tue, 19 Aug 2025) $ #$Revision: 301791 $ #$URL: file:///home/coder/svn-repositories/_RELOADED_COD/cod-reloaded/cif/2/00/86/2008626.cif $ #-------------------------------------------------------------------...
2,008,627
12.193
0.001
17.562
0.002
21.84
0.003
90
null
97.71
0.01
90
null
4,634.4
0.9
298
2
298
2
null
null
null
null
6
P 1 21/c 1
-P 2ybc
14
catena-poly[triphenyltin-μ-(N,N-dimethylthiocarbamoylacetato)-O:O']}
- C23 H23 N O3 S Sn -
- C23 H23 N O3 S Sn -
- C184 H184 N8 O24 S8 Sn8 -
8
2
SK1236
Lo, Kong Mun; Kumar Das, V. G.; Ng, Seik Weng
Triphenyltin <i>N</i>,<i>N</i>-dimethylthiocarbamoylacetate, triphenyltin <i>N</i>,<i>N</i>-pentamethylenecarbamoylthioacetate and cyclopentyldiphenyltin <i>N</i>,<i>N</i>-dimethylthiocarbamoylacetate
Acta Crystallographica Section C
1,999
55
6
889
894
10.1107/S0108270199001286
0.71073
MoKα
0.068
0.042
null
null
null
0.108
null
null
null
null
null
1.018
null
null
has coordinates,has Fobs
Lo, Kong Mun; Kumar Das, V. G.; Ng, Seik Weng Triphenyltin <i>N</i>,<i>N</i>-dimethylthiocarbamoylacetate, triphenyltin <i>N</i>,<i>N</i>-pentamethylenecarbamoylthioacetate and cyclopentyldiphenyltin <i>N</i>,<i>N</i>-dimethylthiocarbamoylacetate Acta Crystallographica Section C 55(6) (1999) 889-894
176,759
2020-10-21
18:00:00
#------------------------------------------------------------------------------ #$Date: 2016-02-19 16:29:56 +0200 (Fri, 19 Feb 2016) $ #$Revision: 176759 $ #$URL: file:///home/coder/svn-repositories/_RELOADED_COD/cod-reloaded/cif/2/00/86/2008627.cif $ #-------------------------------------------------------------------...
4,321,947
8.3463
0.00006
15.2747
0.0002
27.1865
0.0004
90
null
90.8987
0.0009
90
null
3,465.51
0.07
198
2
198
2
null
null
null
null
6
P 1 21/c 1
-P 2ybc
14
- C10 H18 Mo O3 S3 Si -
- C10 H18 Mo O3 S3 Si -
- C80 H144 Mo8 O24 S24 Si8 -
8
2
Hing W. Yim; Linh M. Tran; Ebern D. Dobbin; Daniel Rabinovich; Louise M. Liable-Sands; Christopher D. Incarvito; Kin-Chung Lam; Arnold L. Rheingold
Tris[(alkylthio)methyl]silanes: Syntheses and Structures of Chromium, Molybdenum, and Tungsten Complexes with a Tripodal Thioether Ligand
Inorganic Chemistry
1,999
38
2211
2215
10.1021/ic981001j
0.71073
MoKα
0.0338
0.026
null
0.0634
0.0603
null
null
null
1.064
1.103
1.103
null
null
null
has coordinates
Hing W. Yim; Linh M. Tran; Ebern D. Dobbin; Daniel Rabinovich; Louise M. Liable-Sands; Christopher D. Incarvito; Kin-Chung Lam; Arnold L. Rheingold Tris[(alkylthio)methyl]silanes: Syntheses and Structures of Chromium, Molybdenum, and Tungsten Complexes with a Tripodal Thioether Ligand Inorganic Chemistry 38 (1999) 2211...
179,322
2020-10-21
18:00:00
#------------------------------------------------------------------------------ #$Date: 2016-03-23 15:19:29 +0200 (Wed, 23 Mar 2016) $ #$Revision: 179322 $ #$URL: file:///home/coder/svn-repositories/_RELOADED_COD/cod-reloaded/cif/4/32/19/4321947.cif $ #-------------------------------------------------------------------...
2,008,628
27.404
0.001
17.855
0.001
21.682
0.001
90
null
98.11
0.01
90
null
10,502.9
0.9
298
2
298
2
null
null
null
null
6
C 1 2/c 1
-C 2yc
15
catena-poly[triphenyltin-μ-(N,N-pentamethylenecarbamoylthioacetato)-O:O']}
- C26 H27 N O3 S Sn -
- C26 H27 N O3 S Sn -
- C416 H432 N16 O48 S16 Sn16 -
16
2
SK1236
Lo, Kong Mun; Kumar Das, V. G.; Ng, Seik Weng
Triphenyltin <i>N</i>,<i>N</i>-dimethylthiocarbamoylacetate, triphenyltin <i>N</i>,<i>N</i>-pentamethylenecarbamoylthioacetate and cyclopentyldiphenyltin <i>N</i>,<i>N</i>-dimethylthiocarbamoylacetate
Acta Crystallographica Section C
1,999
55
6
889
894
10.1107/S0108270199001286
0.71073
MoKα
0.104
0.057
null
null
null
0.169
null
null
null
null
null
1.095
null
null
has coordinates,has Fobs
Lo, Kong Mun; Kumar Das, V. G.; Ng, Seik Weng Triphenyltin <i>N</i>,<i>N</i>-dimethylthiocarbamoylacetate, triphenyltin <i>N</i>,<i>N</i>-pentamethylenecarbamoylthioacetate and cyclopentyldiphenyltin <i>N</i>,<i>N</i>-dimethylthiocarbamoylacetate Acta Crystallographica Section C 55(6) (1999) 889-894
176,759
2020-10-21
18:00:00
#------------------------------------------------------------------------------ #$Date: 2016-02-19 16:29:56 +0200 (Fri, 19 Feb 2016) $ #$Revision: 176759 $ #$URL: file:///home/coder/svn-repositories/_RELOADED_COD/cod-reloaded/cif/2/00/86/2008628.cif $ #-------------------------------------------------------------------...
2,008,629
12.307
0.002
17.528
0.002
21.781
0.004
90
null
97.77
0.01
90
null
4,655.4
1.3
298
2
298
2
null
null
null
null
6
P 1 21/c 1
-P 2ybc
14
[Sn(C5H9)(C6H5)2(C5H8NO3S)]
catena-poly[cyclopentyldiphenyltin-μ-(N,N-dimethylthiocarbamoylacetato)-O:O']}
- C22 H27 N O3 S Sn -
- C22 H27 N O3 S Sn -
- C176 H216 N8 O24 S8 Sn8 -
8
2
SK1236
Lo, Kong Mun; Kumar Das, V. G.; Ng, Seik Weng
Triphenyltin <i>N</i>,<i>N</i>-dimethylthiocarbamoylacetate, triphenyltin <i>N</i>,<i>N</i>-pentamethylenecarbamoylthioacetate and cyclopentyldiphenyltin <i>N</i>,<i>N</i>-dimethylthiocarbamoylacetate
Acta Crystallographica Section C
1,999
55
6
889
894
10.1107/S0108270199001286
0.71073
MoKα
0.138
0.062
null
null
null
0.185
null
null
null
null
null
1.049
null
null
has coordinates,has Fobs
Lo, Kong Mun; Kumar Das, V. G.; Ng, Seik Weng Triphenyltin <i>N</i>,<i>N</i>-dimethylthiocarbamoylacetate, triphenyltin <i>N</i>,<i>N</i>-pentamethylenecarbamoylthioacetate and cyclopentyldiphenyltin <i>N</i>,<i>N</i>-dimethylthiocarbamoylacetate Acta Crystallographica Section C 55(6) (1999) 889-894
176,759
2020-10-21
18:00:00
#------------------------------------------------------------------------------ #$Date: 2016-02-19 16:29:56 +0200 (Fri, 19 Feb 2016) $ #$Revision: 176759 $ #$URL: file:///home/coder/svn-repositories/_RELOADED_COD/cod-reloaded/cif/2/00/86/2008629.cif $ #-------------------------------------------------------------------...
2,008,630
8.9654
0.0003
9.6447
0.0003
20.0666
0.0005
78.475
0.001
81.518
0.001
83.786
0.001
1,675.99
0.09
293
2
293
2
null
null
null
null
6
P -1
-P 1
2
{4,4'-Dimethyl-6,6'-bis(1-morpholiniomethyl)-2,2'-[1,2- ethanediylbis(nitrilomethylidene-N)]diphenolato-O,O'}copper(II) diperchlorate monohydrate
- C28 H40 Cl2 Cu N4 O13 -
- C28 H40 Cl2 Cu N4 O13 -
- C56 H80 Cl4 Cu2 N8 O26 -
2
1
SK1242
S. Shanmuga Sundara Raj; R. Thirumurugan; G. Shanmugam; Hoong-Kun Fun; J. Manonmani; M. Kandaswamy
{4,4'-Dimethyl-6,6'-bis(1-morpholiniomethyl)-2,2'-[1,2-ethanediylbis(nitrilomethylidene-<i>N</i>)]diphenolato-<i>O</i>,<i>O</i>'}copper(II) diperchlorate monohydrate
Acta Crystallographica Section C
1,999
55
6
894
896
10.1107/S0108270199001298
0.71073
MoKα
0.106
0.068
null
null
null
0.182
null
null
null
null
null
1.117
null
null
has coordinates
S. Shanmuga Sundara Raj; R. Thirumurugan; G. Shanmugam; Hoong-Kun Fun; J. Manonmani; M. Kandaswamy {4,4'-Dimethyl-6,6'-bis(1-morpholiniomethyl)-2,2'-[1,2-ethanediylbis(nitrilomethylidene-<i>N</i>)]diphenolato-<i>O</i>,<i>O</i>'}copper(II) diperchlorate monohydrate Acta Crystallographica Section C 55(6) (1999) 894-896
301,791
2025-08-18
23:15:33
#------------------------------------------------------------------------------ #$Date: 2025-08-19 01:52:38 +0300 (Tue, 19 Aug 2025) $ #$Revision: 301791 $ #$URL: file:///home/coder/svn-repositories/_RELOADED_COD/cod-reloaded/cif/2/00/86/2008630.cif $ #-------------------------------------------------------------------...
2,008,631
7.3215
0.0001
17.3709
0.0002
13.3435
0.0002
90
null
90
null
90
null
1,697.04
0.04
173
null
173
null
null
null
null
null
5
C m c a
-C 2ac 2
64
- C14 H18 Cl4 N2 Ti -
- C14 H18 Cl4 N2 Ti -
- C56 H72 Cl16 N8 Ti4 -
4
null
SK1252
Hensen, Karl; Lemke, Alexander; Bolte, Michael
Addition compounds of titanium tetrachloride with aromatic nitrogen bases
Acta Crystallographica Section C
1,999
55
6
863
867
10.1107/S0108270199000554
0.71073
MoKα
0.0351
0.029
null
0.068
0.0651
0.068
null
null
1.108
null
null
1.108
null
null
has coordinates
Hensen, Karl; Lemke, Alexander; Bolte, Michael Addition compounds of titanium tetrachloride with aromatic nitrogen bases Acta Crystallographica Section C 55(6) (1999) 863-867
176,759
2020-10-21
18:00:00
#------------------------------------------------------------------------------ #$Date: 2016-02-19 16:29:56 +0200 (Fri, 19 Feb 2016) $ #$Revision: 176759 $ #$URL: file:///home/coder/svn-repositories/_RELOADED_COD/cod-reloaded/cif/2/00/86/2008631.cif $ #-------------------------------------------------------------------...
4,321,946
8.1658
0.0002
15.0563
0.0002
26.5791
0.0003
90
null
90.3653
0.0006
90
null
3,267.75
0.1
173
2
173
2
null
null
null
null
6
P 1 21/c 1
-P 2ybc
14
- C10 H18 Cr O3 S3 Si -
- C10 H18 Cr O3 S3 Si -
- C80 H144 Cr8 O24 S24 Si8 -
8
2
Hing W. Yim; Linh M. Tran; Ebern D. Dobbin; Daniel Rabinovich; Louise M. Liable-Sands; Christopher D. Incarvito; Kin-Chung Lam; Arnold L. Rheingold
Tris[(alkylthio)methyl]silanes: Syntheses and Structures of Chromium, Molybdenum, and Tungsten Complexes with a Tripodal Thioether Ligand
Inorganic Chemistry
1,999
38
2211
2215
10.1021/ic981001j
0.71073
MoKα
0.0654
0.0474
null
null
0.1503
0.1702
null
null
null
null
null
1.255
null
null
has coordinates
Hing W. Yim; Linh M. Tran; Ebern D. Dobbin; Daniel Rabinovich; Louise M. Liable-Sands; Christopher D. Incarvito; Kin-Chung Lam; Arnold L. Rheingold Tris[(alkylthio)methyl]silanes: Syntheses and Structures of Chromium, Molybdenum, and Tungsten Complexes with a Tripodal Thioether Ligand Inorganic Chemistry 38 (1999) 2211...
179,322
2020-10-21
18:00:00
#------------------------------------------------------------------------------ #$Date: 2016-03-23 15:19:29 +0200 (Wed, 23 Mar 2016) $ #$Revision: 179322 $ #$URL: file:///home/coder/svn-repositories/_RELOADED_COD/cod-reloaded/cif/4/32/19/4321946.cif $ #-------------------------------------------------------------------...
2,008,632
7.184
0.001
8.014
0.002
14.151
0.003
90
null
90
null
90
null
814.7
0.3
173
null
173
null
null
null
null
null
5
P m n a
-P 2ac 2
53
- C12 H14 Cl4 N2 Ti -
- C12 H14 Cl4 N2 Ti -
- C24 H28 Cl8 N4 Ti2 -
2
0.25
SK1252
Hensen, Karl; Lemke, Alexander; Bolte, Michael
Addition compounds of titanium tetrachloride with aromatic nitrogen bases
Acta Crystallographica Section C
1,999
55
6
863
867
10.1107/S0108270199000554
0.71073
MoKα
0.0556
0.0471
null
0.1086
0.1062
0.1086
null
null
1.31
null
null
1.31
null
null
has coordinates,has disorder
Hensen, Karl; Lemke, Alexander; Bolte, Michael Addition compounds of titanium tetrachloride with aromatic nitrogen bases Acta Crystallographica Section C 55(6) (1999) 863-867
176,759
2020-10-21
18:00:00
#------------------------------------------------------------------------------ #$Date: 2016-02-19 16:29:56 +0200 (Fri, 19 Feb 2016) $ #$Revision: 176759 $ #$URL: file:///home/coder/svn-repositories/_RELOADED_COD/cod-reloaded/cif/2/00/86/2008632.cif $ #-------------------------------------------------------------------...
2,008,633
7.8998
0.0002
9.9722
0.0003
16.0448
0.0005
107.54
0.001
93.784
0.001
99.551
0.001
1,179.43
0.06
173
null
173
null
null
null
null
null
5
P -1
-P 1
2
- C24 H40 Cl16 N12 Ti3 -
- C24 H40 Cl16 N12 Ti3 -
- C24 H40 Cl16 N12 Ti3 -
1
0.5
SK1252
Hensen, Karl; Lemke, Alexander; Bolte, Michael
Addition compounds of titanium tetrachloride with aromatic nitrogen bases
Acta Crystallographica Section C
1,999
55
6
863
867
10.1107/S0108270199000554
0.71073
MoKα
0.0829
0.0463
null
0.0933
0.0823
0.0933
null
null
1.039
null
null
1.039
null
null
has coordinates
Hensen, Karl; Lemke, Alexander; Bolte, Michael Addition compounds of titanium tetrachloride with aromatic nitrogen bases Acta Crystallographica Section C 55(6) (1999) 863-867
219,800
2020-10-21
18:00:00
#------------------------------------------------------------------------------ #$Date: 2019-10-28 09:23:29 +0200 (Mon, 28 Oct 2019) $ #$Revision: 219800 $ #$URL: file:///home/coder/svn-repositories/_RELOADED_COD/cod-reloaded/cif/2/00/86/2008633.cif $ #-------------------------------------------------------------------...
2,008,634
7.888
0.001
8.643
0.001
29.832
0.001
90
null
90
null
90
null
2,033.8
0.4
293
null
293
null
null
null
null
null
4
P 21 21 21
P 2ac 2ab
19
(3R,6S,1'R)-3-(1-Naphth-1-yl-2-nitro-ethyl)-6-isopropyl-2,5- dimethoxy-3,6-dihydro-pyrazine
- C21 H25 N3 O4 -
- C21 H25 N3 O4 -
- C84 H100 N12 O16 -
4
1
SK1254
Bolte, Michael; Benecke, Bernd; Egert, Ernst
Bis-lactim ethers of cyclic dipeptides. 1. Compounds derived from <i>cyclo</i>(Gly-<small>L</small>-Val)
Acta Crystallographica Section C
1,999
55
6
964
968
10.1107/S0108270199001304
1.5418
CuKα
0.0358
0.0352
null
null
null
0.113
null
null
null
null
null
0.968
null
null
has coordinates,has Fobs
Bolte, Michael; Benecke, Bernd; Egert, Ernst Bis-lactim ethers of cyclic dipeptides. 1. Compounds derived from <i>cyclo</i>(Gly-<small>L</small>-Val) Acta Crystallographica Section C 55(6) (1999) 964-968
301,791
2025-08-18
23:15:33
#------------------------------------------------------------------------------ #$Date: 2025-08-19 01:52:38 +0300 (Tue, 19 Aug 2025) $ #$Revision: 301791 $ #$URL: file:///home/coder/svn-repositories/_RELOADED_COD/cod-reloaded/cif/2/00/86/2008634.cif $ #-------------------------------------------------------------------...
2,008,635
8.88
0.002
6.748
0.002
17.73
0.004
90
null
100.42
0.03
90
null
1,044.9
0.5
293
null
293
null
null
null
null
null
4
P 1 21 1
P 2yb
4
- C19 H27 N3 O6 -
- C19 H27 N3 O6 -
- C38 H54 N6 O12 -
2
1
SK1254
Bolte, Michael; Benecke, Bernd; Egert, Ernst
Bis-lactim ethers of cyclic dipeptides. 1. Compounds derived from <i>cyclo</i>(Gly-<small>L</small>-Val)
Acta Crystallographica Section C
1,999
55
6
964
968
10.1107/S0108270199001304
0.71069
MoKα
0.1453
0.0694
null
null
null
0.1701
null
null
null
null
null
1.126
null
null
has coordinates,has Fobs
Bolte, Michael; Benecke, Bernd; Egert, Ernst Bis-lactim ethers of cyclic dipeptides. 1. Compounds derived from <i>cyclo</i>(Gly-<small>L</small>-Val) Acta Crystallographica Section C 55(6) (1999) 964-968
301,791
2025-08-18
23:15:33
#------------------------------------------------------------------------------ #$Date: 2025-08-19 01:52:38 +0300 (Tue, 19 Aug 2025) $ #$Revision: 301791 $ #$URL: file:///home/coder/svn-repositories/_RELOADED_COD/cod-reloaded/cif/2/00/86/2008635.cif $ #-------------------------------------------------------------------...
2,008,636
8.514
0.001
9.301
0.001
20.119
0.002
90
null
90
null
90
null
1,593.2
0.3
293
null
293
2
null
null
null
null
4
P 21 21 21
P 2ac 2ab
19
- C14 H24 N2 O4 -
- C14 H24 N2 O4 -
- C56 H96 N8 O16 -
4
1
SK1254
Bolte, Michael; Benecke, Bernd; Egert, Ernst
Bis-lactim ethers of cyclic dipeptides. 1. Compounds derived from <i>cyclo</i>(Gly-<small>L</small>-Val)
Acta Crystallographica Section C
1,999
55
6
964
968
10.1107/S0108270199001304
0.71069
MoKα
0.0481
0.0436
null
null
null
0.121
null
null
null
null
null
1.049
null
null
has coordinates,has Fobs
Bolte, Michael; Benecke, Bernd; Egert, Ernst Bis-lactim ethers of cyclic dipeptides. 1. Compounds derived from <i>cyclo</i>(Gly-<small>L</small>-Val) Acta Crystallographica Section C 55(6) (1999) 964-968
301,791
2025-08-18
23:15:33
#------------------------------------------------------------------------------ #$Date: 2025-08-19 01:52:38 +0300 (Tue, 19 Aug 2025) $ #$Revision: 301791 $ #$URL: file:///home/coder/svn-repositories/_RELOADED_COD/cod-reloaded/cif/2/00/86/2008636.cif $ #-------------------------------------------------------------------...
2,008,637
8.211
0.001
9.254
0.001
20.861
0.002
90
null
90
null
90
null
1,585.1
0.3
293
null
293
null
null
null
null
null
4
P 21 21 21
P 2ac 2ab
19
(3R,6S)-3-[(R)-Hydroxy-phenyl-methyl]-6-isopropyl-2,5-dimethoxy- 3,6-dihydro-pyrazine
- C16 H22 N2 O3 -
- C16 H22 N2 O3 -
- C64 H88 N8 O12 -
4
1
SK1254
Bolte, Michael; Benecke, Bernd; Egert, Ernst
Bis-lactim ethers of cyclic dipeptides. 1. Compounds derived from <i>cyclo</i>(Gly-<small>L</small>-Val)
Acta Crystallographica Section C
1,999
55
6
964
968
10.1107/S0108270199001304
0.71069
MoKα
0.0518
0.0432
null
0.1213
0.1147
null
null
null
1.136
1.18
1.18
null
null
null
has coordinates,has Fobs
Bolte, Michael; Benecke, Bernd; Egert, Ernst Bis-lactim ethers of cyclic dipeptides. 1. Compounds derived from <i>cyclo</i>(Gly-<small>L</small>-Val) Acta Crystallographica Section C 55(6) (1999) 964-968
301,791
2025-08-18
23:15:33
#------------------------------------------------------------------------------ #$Date: 2025-08-19 01:52:38 +0300 (Tue, 19 Aug 2025) $ #$Revision: 301791 $ #$URL: file:///home/coder/svn-repositories/_RELOADED_COD/cod-reloaded/cif/2/00/86/2008637.cif $ #-------------------------------------------------------------------...
2,008,638
5.803
0.001
10.486
0.001
14.762
0.001
90
null
90.05
0.01
90
null
898.27
0.19
293
null
293
null
null
null
null
null
4
P 1 21/n 1
-P 2yn
14
(3RS,6SR)-3,6-Dibenzyl-2,5-dimethoxy-3,6-dihydro-pyrazine
- C20 H22 N2 O2 -
- C20 H22 N2 O2 -
- C40 H44 N4 O4 -
2
0.5
SK1255
Bolte, Michael; Benecke, Bernd; Egert, Ernst
Bis-lactim ethers of cyclic dipeptides. 2. Benzyl-substituted compounds
Acta Crystallographica Section C
1,999
55
6
968
973
10.1107/S010827019801645X
0.71069
MoKα
0.0426
0.0369
null
0.1076
0.1025
null
null
null
1.041
1.088
1.088
null
null
null
has coordinates,has Fobs
Bolte, Michael; Benecke, Bernd; Egert, Ernst Bis-lactim ethers of cyclic dipeptides. 2. Benzyl-substituted compounds Acta Crystallographica Section C 55(6) (1999) 968-973
301,791
2025-08-18
23:15:33
#------------------------------------------------------------------------------ #$Date: 2025-08-19 01:52:38 +0300 (Tue, 19 Aug 2025) $ #$Revision: 301791 $ #$URL: file:///home/coder/svn-repositories/_RELOADED_COD/cod-reloaded/cif/2/00/86/2008638.cif $ #-------------------------------------------------------------------...
4,321,945
12.112
0.001
21.736
0.002
16.109
0.001
90
null
90
null
90
null
4,241
0.6
293
2
293
2
null
null
null
null
7
P n m a
-P 2ac 2n
62
- C12 H24 K7 Mo4 N12 O12 Te4 -
- C12 K7 Mo4 N12 O12 Te4 -
- C48 K28 Mo16 N48 O48 Te16 -
4
0.5
V. P. Fedin; I. V. Kalinina; D. G. Samsonenko; Y. V. Mironov; M. N. Sokolov; S. V. Tkachev; A. V. Virovets; N. V. Podberezskaya; M. R. J. Elsegood; W. Clegg; A. G. Sykes
Synthesis, Structure, and Properties of Molybdenum and Tungsten Cyano Complexes with Cuboidal M4(μ3-E4) (M = Mo, W; E = S, Se, Te) Cores
Inorganic Chemistry
1,999
38
1956
1965
10.1021/ic980956z
0.71069
MoKα
0.0609
0.0471
null
null
0.1214
0.1253
null
null
null
null
null
1.132
null
null
has coordinates
V. P. Fedin; I. V. Kalinina; D. G. Samsonenko; Y. V. Mironov; M. N. Sokolov; S. V. Tkachev; A. V. Virovets; N. V. Podberezskaya; M. R. J. Elsegood; W. Clegg; A. G. Sykes Synthesis, Structure, and Properties of Molybdenum and Tungsten Cyano Complexes with Cuboidal M4(μ3-E4) (M = Mo, W; E = S, Se, Te) Cores Inorganic Che...
179,322
2020-10-21
18:00:00
#------------------------------------------------------------------------------ #$Date: 2016-03-23 15:19:29 +0200 (Wed, 23 Mar 2016) $ #$Revision: 179322 $ #$URL: file:///home/coder/svn-repositories/_RELOADED_COD/cod-reloaded/cif/4/32/19/4321945.cif $ #-------------------------------------------------------------------...
2,008,639
10.998
0.001
11.513
0.001
14.464
0.001
90
null
90
null
90
null
1,831.4
0.3
293
null
293
null
null
null
null
null
4
P 21 21 21
P 2ac 2ab
19
(3S,6S)-3,6-Dibenzyl-2,5-dimethoxy-3,6-dihydro-pyrazine
- C20 H22 N2 O2 -
- C20 H22 N2 O2 -
- C80 H88 N8 O8 -
4
1
SK1255
Bolte, Michael; Benecke, Bernd; Egert, Ernst
Bis-lactim ethers of cyclic dipeptides. 2. Benzyl-substituted compounds
Acta Crystallographica Section C
1,999
55
6
968
973
10.1107/S010827019801645X
0.71069
MoKα
0.0514
0.0418
null
0.1032
0.0971
null
null
null
1.08
1.121
1.121
null
null
null
has coordinates,has Fobs
Bolte, Michael; Benecke, Bernd; Egert, Ernst Bis-lactim ethers of cyclic dipeptides. 2. Benzyl-substituted compounds Acta Crystallographica Section C 55(6) (1999) 968-973
301,791
2025-08-18
23:15:33
#------------------------------------------------------------------------------ #$Date: 2025-08-19 01:52:38 +0300 (Tue, 19 Aug 2025) $ #$Revision: 301791 $ #$URL: file:///home/coder/svn-repositories/_RELOADED_COD/cod-reloaded/cif/2/00/86/2008639.cif $ #-------------------------------------------------------------------...
2,008,640
5.88
0.001
7.449
0.001
11.197
0.001
98.41
0.01
90.13
0.01
91.97
0.01
484.86
0.11
293
null
293
null
null
null
null
null
5
P 1
P 1
1
(3R,6S)-3-Benzyl-6-pentafluorophenyl-methyl-2,5-dimethoxy- 3,6-dihydro-pyrazine
- C20 H17 F5 N2 O2 -
- C20 H17 F5 N2 O2 -
- C20 H17 F5 N2 O2 -
1
1
SK1255
Bolte, Michael; Benecke, Bernd; Egert, Ernst
Bis-lactim ethers of cyclic dipeptides. 2. Benzyl-substituted compounds
Acta Crystallographica Section C
1,999
55
6
968
973
10.1107/S010827019801645X
1.5418
CuKα
0.0386
0.0371
null
0.1137
0.1107
null
null
null
1.05
1.056
1.056
null
null
null
has coordinates,has Fobs
Bolte, Michael; Benecke, Bernd; Egert, Ernst Bis-lactim ethers of cyclic dipeptides. 2. Benzyl-substituted compounds Acta Crystallographica Section C 55(6) (1999) 968-973
301,791
2025-08-18
23:15:33
#------------------------------------------------------------------------------ #$Date: 2025-08-19 01:52:38 +0300 (Tue, 19 Aug 2025) $ #$Revision: 301791 $ #$URL: file:///home/coder/svn-repositories/_RELOADED_COD/cod-reloaded/cif/2/00/86/2008640.cif $ #-------------------------------------------------------------------...
2,008,641
6.441
0.001
9.036
0.001
32.996
0.004
90
null
90
null
90
null
1,920.4
0.4
293
null
293
null
null
null
null
null
4
P 21 21 21
P 2ac 2ab
19
(3R,6S)-3-Benzyl-6-(cyclohexyl-methyl)-2,5-dimethoxy- 3,6-dihydro-pyrazine
- C20 H28 N2 O2 -
- C20 H28 N2 O2 -
- C80 H112 N8 O8 -
4
1
SK1255
Bolte, Michael; Benecke, Bernd; Egert, Ernst
Bis-lactim ethers of cyclic dipeptides. 2. Benzyl-substituted compounds
Acta Crystallographica Section C
1,999
55
6
968
973
10.1107/S010827019801645X
0.71069
MoKα
0.1064
0.0626
null
0.1584
0.1344
null
null
null
1.046
1.167
1.167
null
null
null
has coordinates,has Fobs
Bolte, Michael; Benecke, Bernd; Egert, Ernst Bis-lactim ethers of cyclic dipeptides. 2. Benzyl-substituted compounds Acta Crystallographica Section C 55(6) (1999) 968-973
301,791
2025-08-18
23:15:33
#------------------------------------------------------------------------------ #$Date: 2025-08-19 01:52:38 +0300 (Tue, 19 Aug 2025) $ #$Revision: 301791 $ #$URL: file:///home/coder/svn-repositories/_RELOADED_COD/cod-reloaded/cif/2/00/86/2008641.cif $ #-------------------------------------------------------------------...
2,008,642
6.86
0.001
16.461
0.001
20.386
0.002
90
null
90
null
90
null
2,302
0.4
293
null
293
null
null
null
null
null
4
P 21 21 21
P 2ac 2ab
19
- C24 H30 N2 O4 -
- C24 H30 N2 O4 -
- C96 H120 N8 O16 -
4
1
SK1255
Bolte, Michael; Benecke, Bernd; Egert, Ernst
Bis-lactim ethers of cyclic dipeptides. 2. Benzyl-substituted compounds
Acta Crystallographica Section C
1,999
55
6
968
973
10.1107/S010827019801645X
0.71069
MoKα
0.0637
0.0429
null
0.1078
0.0964
null
null
null
1.032
1.112
1.112
null
null
null
has coordinates,has Fobs
Bolte, Michael; Benecke, Bernd; Egert, Ernst Bis-lactim ethers of cyclic dipeptides. 2. Benzyl-substituted compounds Acta Crystallographica Section C 55(6) (1999) 968-973
301,791
2025-08-18
23:15:33
#------------------------------------------------------------------------------ #$Date: 2025-08-19 01:52:38 +0300 (Tue, 19 Aug 2025) $ #$Revision: 301791 $ #$URL: file:///home/coder/svn-repositories/_RELOADED_COD/cod-reloaded/cif/2/00/86/2008642.cif $ #-------------------------------------------------------------------...
2,008,643
5.7445
0.0008
5.7445
0.0008
17.235
0.005
90
null
90
null
120
null
492.55
0.17
293
2
293
2
null
null
null
null
5
P -3 c 1
-P 3 2"c
165
Bi nitro aluminate
Tetracalcium dialuminium hydroxide binitrate tetrahydrate
- Al2 Ca4 H20 N2 O22 -
- Al2 Ca4 H12 N2.0004 O22.0016 -
- Al2 Ca4 H12 N2.0004 O22.0016 -
1
0.083333
SK1257
Renaudin, Guillaume; François, Michel
The lamellar double-hydroxide (LDH) compound with composition 3CaO^.^Al~2~O~3~^.^Ca(NO~3~)~2~^.^10H~2~O
Acta Crystallographica Section C
1,999
55
6
835
838
10.1107/S0108270199003066
0.71073
MoKα
0.039
0.036
null
null
null
0.1
null
null
null
null
null
1.164
null
null
has coordinates,has disorder
Renaudin, Guillaume; François, Michel The lamellar double-hydroxide (LDH) compound with composition 3CaO^.^Al~2~O~3~^.^Ca(NO~3~)~2~^.^10H~2~O Acta Crystallographica Section C 55(6) (1999) 835-838
176,759
2020-10-21
18:00:00
#------------------------------------------------------------------------------ #$Date: 2016-02-19 16:29:56 +0200 (Fri, 19 Feb 2016) $ #$Revision: 176759 $ #$URL: file:///home/coder/svn-repositories/_RELOADED_COD/cod-reloaded/cif/2/00/86/2008643.cif $ #-------------------------------------------------------------------...
2,008,644
13.492
0.0002
9.6317
0.0001
16.9975
0.0003
90
null
90
null
90
null
2,208.84
0.06
293
2
293
2
null
null
null
null
4
P b c n
-P 2n 2ab
60
Diazidobis-1,10-phenanthroline manganese(II)
- C24 H16 Mn N10 -
- C24 H16 Mn N10 -
- C96 H64 Mn4 N40 -
4
0.5
SK1267
Shen, Zhen; Zuo, Jing-Lin; Chinnakali, Kandasamy; Fun, Hoong-Kun; You, Xiao-Zeng
Diazidobis(1,10-phenanthroline-<i>N</i>,<i>N</i>')manganese(II)
Acta Crystallographica Section C
1,999
55
6
901
903
10.1107/S010827019900181X
0.71073
MoKα
0.048
0.037
null
null
null
0.118
null
null
null
null
null
1.063
null
null
has coordinates
Shen, Zhen; Zuo, Jing-Lin; Chinnakali, Kandasamy; Fun, Hoong-Kun; You, Xiao-Zeng Diazidobis(1,10-phenanthroline-<i>N</i>,<i>N</i>')manganese(II) Acta Crystallographica Section C 55(6) (1999) 901-903
301,791
2025-08-18
23:15:33
#------------------------------------------------------------------------------ #$Date: 2025-08-19 01:52:38 +0300 (Tue, 19 Aug 2025) $ #$Revision: 301791 $ #$URL: file:///home/coder/svn-repositories/_RELOADED_COD/cod-reloaded/cif/2/00/86/2008644.cif $ #-------------------------------------------------------------------...
2,008,645
11.6166
0.0009
8.2634
0.0008
18.2929
0.0018
90
null
98.856
0.007
90
null
1,735
0.3
295
null
null
null
null
null
null
null
7
P 1 21/c 1
-P 2ybc
14
- C17 H16 Cl2 Cu N2 O2 Zn -
- C17 H16 Cl2 Cu N2 O2 Zn -
- C68 H64 Cl8 Cu4 N8 O8 Zn4 -
4
1
SK1278
Tatar, Leyla; Atakol, Orhan; Ülkü, Dinçer; Aksu, Mecit
{[μ-Bis(salicylidene)-1,3-propanediaminato]-copper(II)}dichlorozinc(II)
Acta Crystallographica Section C
1,999
55
6
923
925
10.1107/S0108270199003091
0.71073
MoKα
null
0.031
null
null
null
0.038
null
null
null
null
null
0.99
null
null
has coordinates
Tatar, Leyla; Atakol, Orhan; Ülkü, Dinçer; Aksu, Mecit {[μ-Bis(salicylidene)-1,3-propanediaminato]-copper(II)}dichlorozinc(II) Acta Crystallographica Section C 55(6) (1999) 923-925
176,759
2020-10-21
18:00:00
#------------------------------------------------------------------------------ #$Date: 2016-02-19 16:29:56 +0200 (Fri, 19 Feb 2016) $ #$Revision: 176759 $ #$URL: file:///home/coder/svn-repositories/_RELOADED_COD/cod-reloaded/cif/2/00/86/2008645.cif $ #-------------------------------------------------------------------...
4,321,944
11.617
0.001
10.124
0.002
17.473
0.004
90
null
100.75
0.01
90
null
2,018.9
0.6
293
2
293
2
null
null
null
null
7
P 1 21 1
P 2yb
4
- C12 H4 Cs6 Mo4 N12 O2 Te4 -
- C12 Cs6 Mo4 N12 O2 Te4 -
- C24 Cs12 Mo8 N24 O4 Te8 -
2
1
V. P. Fedin; I. V. Kalinina; D. G. Samsonenko; Y. V. Mironov; M. N. Sokolov; S. V. Tkachev; A. V. Virovets; N. V. Podberezskaya; M. R. J. Elsegood; W. Clegg; A. G. Sykes
Synthesis, Structure, and Properties of Molybdenum and Tungsten Cyano Complexes with Cuboidal M4(μ3-E4) (M = Mo, W; E = S, Se, Te) Cores
Inorganic Chemistry
1,999
38
1956
1965
10.1021/ic980956z
0.71069
MoKα
0.0939
0.0634
null
null
0.1466
0.1542
null
null
null
null
null
0.826
null
null
has coordinates
V. P. Fedin; I. V. Kalinina; D. G. Samsonenko; Y. V. Mironov; M. N. Sokolov; S. V. Tkachev; A. V. Virovets; N. V. Podberezskaya; M. R. J. Elsegood; W. Clegg; A. G. Sykes Synthesis, Structure, and Properties of Molybdenum and Tungsten Cyano Complexes with Cuboidal M4(μ3-E4) (M = Mo, W; E = S, Se, Te) Cores Inorganic Che...
179,322
2020-10-21
18:00:00
#------------------------------------------------------------------------------ #$Date: 2016-03-23 15:19:29 +0200 (Wed, 23 Mar 2016) $ #$Revision: 179322 $ #$URL: file:///home/coder/svn-repositories/_RELOADED_COD/cod-reloaded/cif/4/32/19/4321944.cif $ #-------------------------------------------------------------------...
2,008,646
16.4555
0.0009
16.4555
0.0009
44.178
0.005
90
null
90
null
120
null
10,360
1.4
296
2
296
2
null
null
null
null
7
R 3 c :H
R 3 -2"c
161
μ~3~-iodine-2:3:4κ^3^I-sulfido-1κS-tri-μ~3~-sulfido-1:2:3κ^3^S; 1:2:4κ^3^S;-1:3:4κ^3^S-tris(triphenylphosphine)-2κP;3κP;4κP
- C72 H60 Ag3 I P4 S5 W -
- C72 H60 Ag3 I P4 S5 W -
- C432 H360 Ag18 I6 P24 S30 W6 -
6
0.333333
TA1221
Jin, Qiong-Hua; Xin, Xiu-Lan; Deng, Yu-Heng; Yu, Kai-Bei
μ~3~-Iodo-2:3:4κ^3^<i>I</i>-tri-μ~3~-sulfido-1:2:3κ^3^<i>S</i>;1:2:4κ^3^<i>S</i>;1:3:4κ^3^<i>S</i>-sulfido-1κ<i>S</i>-tris(triphenylphosphine)-2κ<i>P</i>,3κ<i>P</i>,4κ<i>P</i>-trisilvertungsten‒triphenylphosphine sulfide (1/1)
Acta Crystallographica Section C
1,999
55
6
860
863
10.1107/S0108270199002978
0.71073
MoKα
null
0.029
null
null
null
0.071
null
null
null
null
null
1.007
null
null
has coordinates
Jin, Qiong-Hua; Xin, Xiu-Lan; Deng, Yu-Heng; Yu, Kai-Bei μ~3~-Iodo-2:3:4κ^3^<i>I</i>-tri-μ~3~-sulfido-1:2:3κ^3^<i>S</i>;1:2:4κ^3^<i>S</i>;1:3:4κ^3^<i>S</i>-sulfido-1κ<i>S</i>-tris(triphenylphosphine)-2κ<i>P</i>,3κ<i>P</i>,4κ<i>P</i>-trisilvertungsten‒triphenylphosphine sulfide (1/1) Acta Crystallographica Section C 55(...
176,759
2020-10-21
18:00:00
#------------------------------------------------------------------------------ #$Date: 2016-02-19 16:29:56 +0200 (Fri, 19 Feb 2016) $ #$Revision: 176759 $ #$URL: file:///home/coder/svn-repositories/_RELOADED_COD/cod-reloaded/cif/2/00/86/2008646.cif $ #-------------------------------------------------------------------...
2,008,647
7.552
0.002
18.013
0.003
8.057
0.002
90
null
105.02
0.02
90
null
1,058.6
0.4
296.2
null
296.2
null
null
null
null
null
4
P 1 21/n 1
-P 2yn
14
- C20 H24 Cl4 Ru2 -
- C19.992 H18.624 Cl4 Ru2 -
- C39.984 H37.248 Cl8 Ru4 -
2
0.5
TA1223
Mark Bown; Martin A. Bennett
Di-μ-chloro-bis{chloro[(4a,5,6,7,8,8a-η^6^)-1,2,3,4-tetrahydronaphthalene]ruthenium(II)}
Acta Crystallographica Section C
1,999
55
6
852
854
10.1107/S0108270199002589
0.7107
MoKα
0.038
0.027
null
0.036
null
0.035
null
null
1.792
null
null
1.916
null
null
has coordinates
Mark Bown; Martin A. Bennett Di-μ-chloro-bis{chloro[(4a,5,6,7,8,8a-η^6^)-1,2,3,4-tetrahydronaphthalene]ruthenium(II)} Acta Crystallographica Section C 55(6) (1999) 852-854
176,759
2020-10-21
18:00:00
#------------------------------------------------------------------------------ #$Date: 2016-02-19 16:29:56 +0200 (Fri, 19 Feb 2016) $ #$Revision: 176759 $ #$URL: file:///home/coder/svn-repositories/_RELOADED_COD/cod-reloaded/cif/2/00/86/2008647.cif $ #-------------------------------------------------------------------...
2,008,648
6.264
0.002
9.035
0.004
22.362
0.009
90
null
90
null
90
null
1,265.6
0.9
152
2
152
2
null
null
null
null
3
P 21 21 21
P 2ac 2ab
19
1-D-3,4-anhydro-1,2:5,6-di-O-isopropylidene-allo-inositol
- C12 H18 O5 -
- C12 H18 O5 -
- C48 H72 O20 -
4
1
TA1231
Falshaw, Andrew; Gainsford, Graeme J.; Lensink, Cornelis
1-<small>D</small>-3,4-Anhydro-1,2:5,6-di-<i>O</i>-isopropylidene-<i>allo</i>-inositol
Acta Crystallographica Section C
1,999
55
6
958
960
10.1107/S0108270199002607
0.71073
MoKα
0.095
0.051
null
0.093
0.081
null
null
null
1.042
1.128
1.128
null
null
null
has coordinates
Falshaw, Andrew; Gainsford, Graeme J.; Lensink, Cornelis 1-<small>D</small>-3,4-Anhydro-1,2:5,6-di-<i>O</i>-isopropylidene-<i>allo</i>-inositol Acta Crystallographica Section C 55(6) (1999) 958-960
301,791
2025-08-18
23:15:33
#------------------------------------------------------------------------------ #$Date: 2025-08-19 01:52:38 +0300 (Tue, 19 Aug 2025) $ #$Revision: 301791 $ #$URL: file:///home/coder/svn-repositories/_RELOADED_COD/cod-reloaded/cif/2/00/86/2008648.cif $ #-------------------------------------------------------------------...
2,008,649
6.411
0.002
20.092
0.002
8.93
0.002
90
null
103.24
0.02
90
null
1,119.7
0.5
248
null
248
null
null
null
null
null
4
P 1 21/c 1
-P 2ybc
14
- C12 H17 N O2 -
- C12 H17 N O2 -
- C48 H68 N4 O8 -
4
1
TA1232
Yoshihara, Ryouko; Hosomi, Hiroyuki; Aoyama, Hiromu; Ohba, Shigeru
<i>N</i>-(Isopropyl)norbornane-<i>endo</i>-2,3-dicarboximide
Acta Crystallographica Section C
1,999
55
6
960
962
10.1107/S0108270199002619
1.54184
CuKα
null
0.065
null
null
null
0.151
null
null
null
null
null
1.96
null
null
has coordinates
Yoshihara, Ryouko; Hosomi, Hiroyuki; Aoyama, Hiromu; Ohba, Shigeru <i>N</i>-(Isopropyl)norbornane-<i>endo</i>-2,3-dicarboximide Acta Crystallographica Section C 55(6) (1999) 960-962
301,791
2025-08-18
23:15:33
#------------------------------------------------------------------------------ #$Date: 2025-08-19 01:52:38 +0300 (Tue, 19 Aug 2025) $ #$Revision: 301791 $ #$URL: file:///home/coder/svn-repositories/_RELOADED_COD/cod-reloaded/cif/2/00/86/2008649.cif $ #-------------------------------------------------------------------...
2,008,650
9.0204
0.0001
13.9921
0.0002
15.898
0.0001
106.022
0.001
90.673
0.001
98.479
0.001
1,904.63
0.04
293
2
293
2
null
null
null
null
4
P -1
-P 1
2
(μ-hydrido)(μ-2-hydroxyethoxy)decacarbonyltriosmium
- C12 H6 O12 Os3 -
- C12 H6 O12 Os3 -
- C48 H24 O48 Os12 -
4
2
TA1235
Leong, Weng Kee; Lum, Mien Wei
Decacarbonyl(μ-hydrido)(μ-2-hydroxyethoxy)triosmium
Acta Crystallographica Section C
1,999
55
6
881
882
10.1107/S0108270199002620
0.71073
MoKα
0.075
0.051
null
null
null
0.141
null
null
null
null
null
1.006
null
null
has coordinates
Leong, Weng Kee; Lum, Mien Wei Decacarbonyl(μ-hydrido)(μ-2-hydroxyethoxy)triosmium Acta Crystallographica Section C 55(6) (1999) 881-882
176,759
2020-10-21
18:00:00
#------------------------------------------------------------------------------ #$Date: 2016-02-19 16:29:56 +0200 (Fri, 19 Feb 2016) $ #$Revision: 176759 $ #$URL: file:///home/coder/svn-repositories/_RELOADED_COD/cod-reloaded/cif/2/00/86/2008650.cif $ #-------------------------------------------------------------------...