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
2,003,568
6.11
0.001
8.205
0.001
5.868
0.001
90
null
90
null
90
null
294.18
0.08
294
null
null
null
null
null
null
null
3
P n m a
-P 2ac 2n
62
Mercury Selenite
Mercury(II) Selenate(IV)
- Hg O3 Se -
- Hg O3 Se -
- Hg4 O12 Se4 -
4
0.5
HU1145
Koskenlinna, M.; Valkonen, J.
Mercury(II) Selenite
Acta Crystallographica Section C
1,995
51
6
1040
1042
10.1107/S0108270194014770
0.71073
MoKα
null
0.026
null
null
0.032
null
null
null
null
0.363
0.363
null
null
null
has coordinates
Koskenlinna, M.; Valkonen, J. Mercury(II) Selenite Acta Crystallographica Section C 51(6) (1995) 1040-1042
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/2/00/35/2003568.cif $ #-------------------------------------------------------------------...
2,003,569
15.919
0.005
10.307
0.009
16.23
0.02
90
null
104.93
0.04
90
null
2,573
4
120
null
null
null
null
null
null
null
4
P 1 21 1
P 2yb
4
- C32 H80 P12 Th -
- C32 H80 P12 Th -
- C64 H160 P24 Th2 -
2
1
JZ1000
Coles, S. J.; Edwards, P. G.; Hursthouse, M. B.; Read, P. W.
Dimorphism in Actinide Phosphides: Tetrakis[bis(2-dimethylphosphinoethyl)phosphido]thorium(IV)
Acta Crystallographica Section C
1,995
51
6
1060
1063
10.1107/S0108270194011790
0.71069
MoKα
null
0.0447
null
null
0.1026
null
null
null
null
0.515
0.515
null
null
null
has coordinates
Coles, S. J.; Edwards, P. G.; Hursthouse, M. B.; Read, P. W. Dimorphism in Actinide Phosphides: Tetrakis[bis(2-dimethylphosphinoethyl)phosphido]thorium(IV) Acta Crystallographica Section C 51(6) (1995) 1060-1063
176,432
2020-10-21
18:00:00
#------------------------------------------------------------------------------ #$Date: 2016-02-14 06:40:26 +0200 (Sun, 14 Feb 2016) $ #$Revision: 176432 $ #$URL: file:///home/coder/svn-repositories/_RELOADED_COD/cod-reloaded/cif/2/00/35/2003569.cif $ #-------------------------------------------------------------------...
2,003,570
28.058
0.006
17.315
0.002
14.962
0.001
90
null
101.36
0.01
90
null
7,126.5
1.8
293
null
null
null
null
null
null
null
see text
6
C 1 2/c 1
-C 2yc
15
- C84 H60 Ag4.46 Cu0.54 N P2 -
- C84 H60 Ag5 Cu3 N P2 -
- C336 H240 Ag20 Cu12 N4 P8 -
4
0.5
JZ1005
Al-Farhan, K. A.; Abu-Salah, O. M.; Mukhalalati, M.; Jaafar, M.
Copper Disordered Hexakis(phenylethynyl)pentaargentate(I) Cluster
Acta Crystallographica Section C
1,995
51
6
1089
1092
10.1107/S0108270194014162
0.71073
MoKα
null
0.032
null
null
0.082
null
null
null
null
1.021
1.021
null
null
null
has coordinates
Al-Farhan, K. A.; Abu-Salah, O. M.; Mukhalalati, M.; Jaafar, M. Copper Disordered Hexakis(phenylethynyl)pentaargentate(I) Cluster Acta Crystallographica Section C 51(6) (1995) 1089-1092
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/2/00/35/2003570.cif $ #-------------------------------------------------------------------...
2,003,571
5.094
0.002
5.273
0.002
7.572
0.003
102.52
0.02
104.45
0.02
102.07
0.02
184.67
0.13
295
2
null
null
null
null
null
null
5
P -1
-P 1
2
- As2 Cu Fe2 H2 O10 -
- As2 Cu Fe2 H2 O10 -
- As2 Cu Fe2 H2 O10 -
1
0.5
JZ1007
Effenberger, H.
Polytypism of CuFe~2~(OH)~2~(AsO~4~)~2~: the Triclinic Modification
Acta Crystallographica Section C
1,995
51
6
1042
1045
10.1107/S0108270194014617
0.710688
MoKα
null
0.02
null
null
0.019
null
null
null
null
null
null
null
null
null
has coordinates
Effenberger, H. Polytypism of CuFe~2~(OH)~2~(AsO~4~)~2~: the Triclinic Modification Acta Crystallographica Section C 51(6) (1995) 1042-1045
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/2/00/35/2003571.cif $ #-------------------------------------------------------------------...
2,003,572
9.594
0.005
12.43
0.005
16.893
0.009
109.71
0.02
99.13
0.03
105.9
0.03
1,752.4
1.6
213
2
null
null
null
null
null
null
6
P -1
-P 1
2
- C39 H37 Cl2 O2 P2 Re -
- C39 H37 Cl2 O2 P2 Re -
- C78 H74 Cl4 O4 P4 Re2 -
2
1
JZ1019
Abram, S.; Abram, U.; Schulz-Lang, E.; Strähle, J.
<i>trans</i>-Dichlorooxo(2-propoxido)bis(triphenylphosphine)rhenium(V)
Acta Crystallographica Section C
1,995
51
6
1078
1080
10.1107/S0108270194013314
0.71073
MoKα
null
0.0207
null
null
0.0509
null
null
null
null
1.108
1.108
null
null
null
has coordinates
Abram, S.; Abram, U.; Schulz-Lang, E.; Strähle, J. <i>trans</i>-Dichlorooxo(2-propoxido)bis(triphenylphosphine)rhenium(V) Acta Crystallographica Section C 51(6) (1995) 1078-1080
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/2/00/35/2003572.cif $ #-------------------------------------------------------------------...
2,003,573
19.907
0.005
19.907
0.005
6.43
0.005
90
null
90
null
90
null
2,548
2
293
2
293
2
null
null
null
null
4
P 4/n n c :2
-P 4a 2bc
126
Bis(phthalocyaninato)erbium
Bis[29H,31H-phthalocyaninato-N^29^,N^30^,N^31^,N^32^]erbium
- C64 H32 Er N16 -
- C64 H32 Er N16 -
- C128 H64 Er2 N32 -
2
0.125
JZ1021
Ostendorp, G.; Werner, J.-P.; Homborg, H.
Bis(phthalocyaninato)erbium (α1 Phase)
Acta Crystallographica Section C
1,995
51
6
1125
1128
10.1107/S0108270195000126
0.71069
MoKα
0.0632
0.0478
null
0.2013
0.1831
null
null
null
1.274
1.37
1.37
null
null
null
has coordinates
Ostendorp, G.; Werner, J.-P.; Homborg, H. Bis(phthalocyaninato)erbium (α1 Phase) Acta Crystallographica Section C 51(6) (1995) 1125-1128
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/2/00/35/2003573.cif $ #-------------------------------------------------------------------...
2,003,574
7.223
0.003
13.913
0.0015
14.931
0.0015
100.655
0.009
101.33
0.03
90.32
0.02
1,444.5
0.7
293
2
293
2
null
null
null
null
crystallized from water/acetone
6
P -1
-P 1
2
fac-Dipyridiniomethane-Trifluorotrichloroosmate(IV)
fac-N,N'-methylenedipyridinium trichlorotrifluoroosmate(IV)
- C11 H12 Cl3 F3 N2 Os -
- C11 H12 Cl3 F3 N2 Os -
- C44 H48 Cl12 F12 N8 Os4 -
4
2
JZ1030
Bruhn, C.; Preetz, W.
<i>fac</i>- and <i>mer</i>-Dipyridiniomethane Trichlorotrifluoroosmate(IV), <i>fac</i>- and <i>mer</i>-[(C~5~H~5~N)~2~CH~2~][OsCl~3~F~3~]
Acta Crystallographica Section C
1,995
51
6
1112
1116
10.1107/S0108270194015015
0.71069
MoKα
0.0222
0.0187
null
0.0525
0.0503
null
null
null
1.199
1.199
1.199
null
null
null
has coordinates
Bruhn, C.; Preetz, W. <i>fac</i>- and <i>mer</i>-Dipyridiniomethane Trichlorotrifluoroosmate(IV), <i>fac</i>- and <i>mer</i>-[(C~5~H~5~N)~2~CH~2~][OsCl~3~F~3~] Acta Crystallographica Section C 51(6) (1995) 1112-1116
201,955
2020-10-21
18:00:00
#------------------------------------------------------------------------------ #$Date: 2017-10-13 03:08:28 +0300 (Fri, 13 Oct 2017) $ #$Revision: 201955 $ #$URL: file:///home/coder/svn-repositories/_RELOADED_COD/cod-reloaded/cif/2/00/35/2003574.cif $ #-------------------------------------------------------------------...
2,003,575
9.676
0.005
14.046
0.003
10.476
0.003
90
null
97.357
0.004
90
null
1,412.1
0.9
293
2
293
2
null
null
null
null
crystallized from water/acetone
6
P 1 21/n 1
-P 2yn
14
mer-Dipyridiniomethane-Trifluorotrichloroosmate(IV)
mer-N,N'-methylenedipyridinium trichlorotrifluoroosmate(IV)
- C11 H12 Cl3 F3 N2 Os -
- C11 H12 Cl3 F3 N2 Os -
- C44 H48 Cl12 F12 N8 Os4 -
4
1
JZ1030
Bruhn, C.; Preetz, W.
<i>fac</i>- and <i>mer</i>-Dipyridiniomethane Trichlorotrifluoroosmate(IV), <i>fac</i>- and <i>mer</i>-[(C~5~H~5~N)~2~CH~2~][OsCl~3~F~3~]
Acta Crystallographica Section C
1,995
51
6
1112
1116
10.1107/S0108270194015015
0.71069
MoKα
0.035
0.0183
null
0.0453
0.039
null
null
null
1.139
1.094
1.094
null
null
null
has coordinates,has Fobs
Bruhn, C.; Preetz, W. <i>fac</i>- and <i>mer</i>-Dipyridiniomethane Trichlorotrifluoroosmate(IV), <i>fac</i>- and <i>mer</i>-[(C~5~H~5~N)~2~CH~2~][OsCl~3~F~3~] Acta Crystallographica Section C 51(6) (1995) 1112-1116
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/2/00/35/2003575.cif $ #-------------------------------------------------------------------...
4,322,372
10.861
0.002
13.552
0.003
14.438
0.003
111.13
0.01
103.74
0.01
97.82
0.01
1,867
0.7
200
2
200
2
null
null
null
null
7
P -1
-P 1
2
- C43 H42 N3 O1.5 P Ru S2 -
- C43 H40 N3 O1.5 P Ru S2 -
- C86 H80 N6 O3 P2 Ru2 S4 -
2
1
Dieter Sellmann; Jürgen Utz; Frank W. Heinemann
Transition Metal Complexes with Sulfur Ligands. 136.1 Enforced Trans Coordination of Thiolate Donors in Electron Rich Iron, Ruthenium, and Nickel [M(L)(pyN~2~H~2~S~2~)] and [M(L)(pyS~4~)] Complexes (L = CO, PPh~3~, DMSO) (pyN2H2S22-= 2,6-Bis(2-mercaptophenylamino)dimethylpyridine(2-); pyS4^2-^ = 2,6-Bis(2-mercaptopheny...
Inorganic Chemistry
1,999
38
5314
5322
10.1021/ic990169h
0.71073
MoKα
0.1037
0.056
null
0.1281
0.107
null
null
null
1.037
1.075
1.075
null
null
null
has coordinates
Dieter Sellmann; Jürgen Utz; Frank W. Heinemann Transition Metal Complexes with Sulfur Ligands. 136.1 Enforced Trans Coordination of Thiolate Donors in Electron Rich Iron, Ruthenium, and Nickel [M(L)(pyN~2~H~2~S~2~)] and [M(L)(pyS~4~)] Complexes (L = CO, PPh~3~, DMSO) (pyN2H2S22-= 2,6-Bis(2-mercaptophenylamino)dimethyl...
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/4/32/23/4322372.cif $ #-------------------------------------------------------------------...
2,003,576
10.957
0.001
12.836
0.002
16.466
0.003
90
null
90
null
90
null
2,315.8
0.6
298
null
null
null
null
null
null
null
4
P 21 21 21
P 2ac 2ab
19
- C23 H33 N O12 -
- C23 H33 N O12 -
- C92 H132 N4 O48 -
4
1
KA1049
Urbanczyk-Lipkowska, Z.
A Morphine Metabolite: ({-})-Morphine-3-<i>O</i>-β-<small>D</small>-glucuronide Trihydrate (M3G.3H~2~O)
Acta Crystallographica Section C
1,995
51
6
1184
1187
10.1107/S010827019301265X
0.71069
MoKα
null
0.046
null
null
0.039
null
null
null
null
1.348
1.348
null
null
null
has coordinates
Urbanczyk-Lipkowska, Z. A Morphine Metabolite: ({-})-Morphine-3-<i>O</i>-β-<small>D</small>-glucuronide Trihydrate (M3G.3H~2~O) Acta Crystallographica Section C 51(6) (1995) 1184-1187
301,791
2025-08-18
23:15:24
#------------------------------------------------------------------------------ #$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/2/00/35/2003576.cif $ #-------------------------------------------------------------------...
2,003,577
13.342
0.001
17.709
0.002
9.723
0.002
90
null
97.23
0.01
90
null
2,279
0.6
295
2
null
null
null
null
null
null
CH~3~CH/H~2~O
5
P 1 21/n 1
-P 2yn
14
- C18 H20 B2 N12 Zn -
- C18 H20 B2 N12 Zn -
- C72 H80 B8 N48 Zn4 -
4
1
KH1006
Nakata, K.; Kawabata, S.; Ichikawa, K.
Bis[hydrotris(1-pyrazolyl-<i>N</i>^2^)borato]zinc(II)
Acta Crystallographica Section C
1,995
51
6
1092
1094
10.1107/S0108270194013880
0.71073
MoKα
null
0.0467
null
null
0.0476
null
null
null
null
1.79
1.79
null
null
null
has coordinates
Nakata, K.; Kawabata, S.; Ichikawa, K. Bis[hydrotris(1-pyrazolyl-<i>N</i>^2^)borato]zinc(II) Acta Crystallographica Section C 51(6) (1995) 1092-1094
301,791
2025-08-18
23:15:24
#------------------------------------------------------------------------------ #$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/2/00/35/2003577.cif $ #-------------------------------------------------------------------...
2,003,578
14.049
0.001
7.874
0.0008
15.017
0.001
90
null
115.45
0.01
90
null
1,499.9
0.2
293
2
293
2
null
null
null
null
Single crystals of vanillin were grown by gel technique. Details are published elsewhere (Sureshkumar, Sivakumar & Natarajan, 1994).
3
P 1 21 1
P 2yb
4
3-methoxy-4-hydroxybenzaldehyde
- C8 H8 O3 -
- C8 H8 O3 -
- C64 H64 O24 -
8
4
LI1126
Velavan, R.; Sureshkumar, P.; Sivakumar, K.; Natarajan, S.
Vanillin-I
Acta Crystallographica Section C
1,995
51
6
1131
1133
10.1107/S0108270194011923
0.71073
MoKα
0.0426
0.025
null
0.0658
0.0603
null
null
null
0.97
1.066
1.066
null
null
null
has coordinates
Velavan, R.; Sureshkumar, P.; Sivakumar, K.; Natarajan, S. Vanillin-I Acta Crystallographica Section C 51(6) (1995) 1131-1133
301,791
2025-08-18
23:15:24
#------------------------------------------------------------------------------ #$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/2/00/35/2003578.cif $ #-------------------------------------------------------------------...
2,003,579
6.059
0.001
11.598
0.002
17.253
0.004
90
null
90
null
90
null
1,212.4
0.4
293
2
293
2
null
null
null
null
4
P 21 21 21
P 2ac 2ab
19
4-Nitrobenzaldehydephenylhydrazone
- C13 H11 N3 O2 -
- C13 H11 N3 O2 -
- C52 H44 N12 O8 -
4
1
LI1127
Velavan, R.; Sivakumar, K.; Anbu, M.
(<i>E</i>)-4-Nitrobenzaldehyde Phenylhydrazone
Acta Crystallographica Section C
1,995
51
6
1227
1229
10.1107/S0108270194012606
1.5418
CuKα
0.0398
0.0368
null
0.1097
0.1074
null
null
null
1.058
1.099
1.099
null
null
null
has coordinates
Velavan, R.; Sivakumar, K.; Anbu, M. (<i>E</i>)-4-Nitrobenzaldehyde Phenylhydrazone Acta Crystallographica Section C 51(6) (1995) 1227-1229
301,791
2025-08-18
23:15:24
#------------------------------------------------------------------------------ #$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/2/00/35/2003579.cif $ #-------------------------------------------------------------------...
2,003,580
13.537
0.01
14.111
0.007
12.06
0.01
99.98
0.06
90.24
0.07
94.02
0.06
2,263
3
188
null
null
null
null
null
null
null
crystallization from ethanol
5
P -1
-P 1
2
- C94 H102 Cu4 O14 P4 -
- C94 H102 Cu4 O14 P4 -
- C94 H102 Cu4 O14 P4 -
1
0.5
MU1081
Dunaj-Jurčo, M.; Koman, M.; Valigura, D.; Ondrejovič, G.
Bis(ethanol)-1κ<i>O</i>,4κ<i>O</i>-hexakis(μ-propionato)-1κ<i>O</i>:2κ<i>O</i>';2κ^4^<i>O</i>:3κ^4^<i>O</i>';3κ<i>O</i>:4κ<i>O</i>'-tetrakis(triphenylphosphine)-1κ^2^<i>P</i>,4κ^2^<i>P</i>-tetracopper(I,II), [Cu~4~(C~3~H~5~O~2~)~6~(C~2~H~6~O)~2~(C~18~H~15~P)~4~]
Acta Crystallographica Section C
1,995
51
6
1082
1084
10.1107/S0108270194009935
1.54178
CuKα
null
0.0697
null
null
0.0734
null
null
null
null
1.58
1.58
null
null
null
has coordinates
Dunaj-Jurčo, M.; Koman, M.; Valigura, D.; Ondrejovič, G. Bis(ethanol)-1κ<i>O</i>,4κ<i>O</i>-hexakis(μ-propionato)-1κ<i>O</i>:2κ<i>O</i>';2κ^4^<i>O</i>:3κ^4^<i>O</i>';3κ<i>O</i>:4κ<i>O</i>'-tetrakis(triphenylphosphine)-1κ^2^<i>P</i>,4κ^2^<i>P</i>-tetracopper(I,II), [Cu~4~(C~3~H~5~O~2~)~6~(C~2~H~6~O)~2~(C~18~H~15~P)~4~] ...
176,759
2020-10-21
18:00:00
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2,003,581
7.435
0.003
14.124
0.003
13.693
0.003
90
null
111.03
0.03
90
null
1,342.2
0.7
293
null
293
null
null
null
null
null
7
P 1 21/c 1
-P 2ybc
null
bis(2-chloro-6-flourobenzoato)di(nicotinamide)copper(II)
- C26 H18 Cl2 Cu F2 N4 O6 -
- C26 H18 Cl2 Cu F2 N4 O6 -
- C52 H36 Cl4 Cu2 F4 N8 O12 -
2
0.5
MU1108
Hoang, N. N.; Valach, F.; Dunaj-Jurčo, M.
Bis(2-chloro-6-fluorobenzoato)bis(nicotinamide)copper(II)
Acta Crystallographica Section C
1,995
51
6
1095
1097
10.1107/S0108270194013922
0.71069
MoKα
null
0.047
null
null
0.045
null
null
null
null
1.13
1.13
null
null
null
has coordinates
Hoang, N. N.; Valach, F.; Dunaj-Jurčo, M. Bis(2-chloro-6-fluorobenzoato)bis(nicotinamide)copper(II) Acta Crystallographica Section C 51(6) (1995) 1095-1097
301,791
2025-08-18
23:15:24
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2,003,582
9.494
0.001
9.494
0.001
11.203
0.002
90
null
90
null
90
null
1,009.8
0.2
293
null
null
null
null
null
null
null
Et~2~O/MeCN
6
P 4/m b m
-P 4 2ab
127
- C8 H12 F12 N4 P2 Pt -
- C8 H12 F12 N4 P2 Pt -
- C16 H24 F24 N8 P4 Pt2 -
2
0.125
MU1154
Crossley, J. G.; Orpen, A. G.
[<i>M</i>(CNMe)~4~](PF~6~)~2~ (<i>M</i> = Pt, Pd)
Acta Crystallographica Section C
1,995
51
6
1102
1105
10.1107/S0108270194014587
0.71073
MoKα
null
0.0287
null
null
0.0339
null
null
null
null
1.2
1.2
null
null
null
has coordinates
Crossley, J. G.; Orpen, A. G. [<i>M</i>(CNMe)~4~](PF~6~)~2~ (<i>M</i> = Pt, Pd) Acta Crystallographica Section C 51(6) (1995) 1102-1105
176,435
2020-10-21
18:00:00
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2,003,583
9.434
0.002
9.434
0.002
11.27
0.003
90
null
90
null
90
null
1,003
0.4
293
null
null
null
null
null
null
null
Et~2~O/MeCN solvent diffusion
6
P 4/m b m
-P 4 2ab
127
- C8 H12 F12 N4 P2 Pd -
- C8 H12 F12 N4 P2 Pd -
- C16 H24 F24 N8 P4 Pd2 -
2
0.125
MU1154
Crossley, J. G.; Orpen, A. G.
[<i>M</i>(CNMe)~4~](PF~6~)~2~ (<i>M</i> = Pt, Pd)
Acta Crystallographica Section C
1,995
51
6
1102
1105
10.1107/S0108270194014587
0.71073
MoKα
null
0.0289
null
null
0.0466
null
null
null
null
1.817
1.817
null
null
null
has coordinates
Crossley, J. G.; Orpen, A. G. [<i>M</i>(CNMe)~4~](PF~6~)~2~ (<i>M</i> = Pt, Pd) Acta Crystallographica Section C 51(6) (1995) 1102-1105
176,435
2020-10-21
18:00:00
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2,003,584
11.749
0.001
23.342
0.002
12.644
0.002
90
null
111.32
0.01
90
null
3,230.3
0.7
293
2
293
2
null
null
null
null
5
P 1 21/n 1
-P 2yn
14
trans-bis(triphenylarsine)chloromethylplatinum(II)
- C37 H33 As2 Cl Pt -
- C37 H33 As2 Cl Pt -
- C148 H132 As8 Cl4 Pt4 -
4
1
MU1156
Roodt, A.; Otto, S.; Leipoldt, J. G.
<i>trans</i>-Chloromethylbis(triphenylarsine)platinum(II)
Acta Crystallographica Section C
1,995
51
6
1105
1106
10.1107/S0108270194014599
0.71073
MoKα
0.0275
0.0275
null
0.0696
0.0696
null
null
null
1.066
1.066
1.066
null
null
null
has coordinates,has Fobs
Roodt, A.; Otto, S.; Leipoldt, J. G. <i>trans</i>-Chloromethylbis(triphenylarsine)platinum(II) Acta Crystallographica Section C 51(6) (1995) 1105-1106
176,759
2020-10-21
18:00:00
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2,003,585
13.747
0.009
21.08
0.04
10.3
0.01
90
null
98.97
0.06
90
null
2,948
7
295
null
null
null
null
null
null
null
5
P 1 21/n 1
-P 2yn
14
- C34 H39 N O3 Si -
- C34 H39 N O3 Si -
- C136 H156 N4 O12 Si4 -
4
1
NA1106
Urtiaga, M. K.; Arriortua, M. I.; Tellitu, I.; Badía, D.; Domínguez, E.; Ochando, L.; Amigó, J. M.; Debaerdemaeker, T.
(1<i>R</i>*,3<i>S</i>*,4<i>R</i>*)-4-<i>tert</i>-Butyldiphenylsilyloxy-6,7-dimethoxy-1-methyl-3-phenyl-1,2,3,4-tetrahydroisoquinoline
Acta Crystallographica Section C
1,995
51
6
1232
1234
10.1107/S0108270194012825
0.71073
MoKα
null
0.071
null
null
0.094
null
null
null
null
1.115
1.115
null
null
null
has coordinates
Urtiaga, M. K.; Arriortua, M. I.; Tellitu, I.; Badía, D.; Domínguez, E.; Ochando, L.; Amigó, J. M.; Debaerdemaeker, T. (1<i>R</i>*,3<i>S</i>*,4<i>R</i>*)-4-<i>tert</i>-Butyldiphenylsilyloxy-6,7-dimethoxy-1-methyl-3-phenyl-1,2,3,4-tetrahydroisoquinoline Acta Crystallographica Section C 51(6) (1995) 1232-1234
301,791
2025-08-18
23:15:24
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2,003,586
7.59
0.001
11.64
0.001
11.748
0.003
88
0.01
88.08
0.01
80.02
0.01
1,021.2
0.3
295
null
295
null
null
null
null
null
3
P -1
-P 1
2
3-(4-butoxycarbonyl-phenyloxycarbonyl)-Xanthen-9-one
- C25 H20 O6 -
- C25 H20 O6 -
- C50 H40 O12 -
2
1
NA1123
Centore, R.; Ciajolo, M. R.; Tuzi, A.; Kricheldorf, H. R.
3-(4-Butoxycarbonylphenyloxycarbonyl)-xanthen-9-one
Acta Crystallographica Section C
1,995
51
6
1211
1213
10.1107/S0108270194012710
1.54178
CuKα
0.05
0.044
null
null
0.067
null
null
null
null
3.021
3.021
null
null
null
has coordinates
Centore, R.; Ciajolo, M. R.; Tuzi, A.; Kricheldorf, H. R. 3-(4-Butoxycarbonylphenyloxycarbonyl)-xanthen-9-one Acta Crystallographica Section C 51(6) (1995) 1211-1213
301,791
2025-08-18
23:15:24
#------------------------------------------------------------------------------ #$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/2/00/35/2003586.cif $ #-------------------------------------------------------------------...
2,003,587
9.1706
0.0041
9.3871
0.0073
9.5577
0.0027
112.988
0.057
113.552
0.022
93.402
0.051
671.3
0.8
250
null
250
null
null
null
null
null
synthetic
7
P 1
P 1
1
(-)-{2,2-Bis-[(r)-4'-(benzyl)-oxazolin-2'-yl]propan}-π-allyl-palladium(II)- hexa-fluorophosphat
- C26 H31 F6 N2 O2 P Pd -
- C26 H31 F6 N2 O2 P Pd -
- C26 H31 F6 N2 O2 P Pd -
1
1
NA1124
Zehnder, M.; Neuburger, M.; von Matt, P.; Pfaltz, A.
(Allyl)palladium(II) Complexes with Chiral Ligands. I. (Allyl)palladium(II) Complexes with Methylenebis(oxazoline) Ligands
Acta Crystallographica Section C
1,995
51
6
1109
1112
10.1107/S0108270194013119
0.71069
MoKα
null
0.0176
null
null
0.0206
null
null
null
null
1.0996
1.0996
null
null
null
has coordinates
Zehnder, M.; Neuburger, M.; von Matt, P.; Pfaltz, A. (Allyl)palladium(II) Complexes with Chiral Ligands. I. (Allyl)palladium(II) Complexes with Methylenebis(oxazoline) Ligands Acta Crystallographica Section C 51(6) (1995) 1109-1112
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/2/00/35/2003587.cif $ #-------------------------------------------------------------------...
2,003,588
12.6087
0.0025
15.2262
0.0192
18.5205
0.007
90
null
90
null
90
null
3,556
5
250
null
250
null
null
null
null
null
synthetic
7
P 21 21 21
P 2ac 2ab
19
(-)-{2,2-Bis-[(r)-4'-(benzyl)-oxazolin-2'-yl]propan}-{π-1,3-diphenylallyl}- palladium(II)-hexafluorophosphat
- C38 H39 F6 N2 O2 P Pd -
- C38 H39 F6 N2 O2 P Pd -
- C152 H156 F24 N8 O8 P4 Pd4 -
4
1
NA1124
Zehnder, M.; Neuburger, M.; von Matt, P.; Pfaltz, A.
(Allyl)palladium(II) Complexes with Chiral Ligands. I. (Allyl)palladium(II) Complexes with Methylenebis(oxazoline) Ligands
Acta Crystallographica Section C
1,995
51
6
1109
1112
10.1107/S0108270194013119
0.71069
MoKα
null
0.0309
null
null
0.0183
null
null
null
null
1.1326
1.1326
null
null
null
has coordinates
Zehnder, M.; Neuburger, M.; von Matt, P.; Pfaltz, A. (Allyl)palladium(II) Complexes with Chiral Ligands. I. (Allyl)palladium(II) Complexes with Methylenebis(oxazoline) Ligands Acta Crystallographica Section C 51(6) (1995) 1109-1112
176,759
2020-10-21
18:00:00
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2,003,589
7.256
0.001
9.3991
0.0009
30.265
0.003
90
null
90
null
90
null
2,064.1
0.4
293
null
null
null
null
null
null
null
3
P 21 21 21
P 2ac 2ab
19
- C23 H32 O3 -
- C23 H32 O3 -
- C92 H128 O12 -
4
1
NA1126
Puliti, R.; De Rosa, S.; Mattia, C. A.
Crystal Studies of Avarol Derivatives. 5'-Acetylavarol from <i>Dysidea avara</i>
Acta Crystallographica Section C
1,995
51
6
1195
1198
10.1107/S0108270194012722
1.54056
CuKα
null
0.0441
null
null
0.0438
null
null
null
null
0.88
0.88
null
null
null
has coordinates
Puliti, R.; De Rosa, S.; Mattia, C. A. Crystal Studies of Avarol Derivatives. 5'-Acetylavarol from <i>Dysidea avara</i> Acta Crystallographica Section C 51(6) (1995) 1195-1198
301,791
2025-08-18
23:15:24
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4,322,371
12.903
0.003
9.603
0.005
14.219
0.003
90
null
96.52
0.02
90
null
1,750.4
1.1
200
2
200
2
null
null
null
null
5
P 1 21/c 1
-P 2ybc
14
- C19 H17 Fe N3 S2 -
- C19 H17 Fe N3 S2 -
- C76 H68 Fe4 N12 S8 -
4
1
Dieter Sellmann; Jürgen Utz; Frank W. Heinemann
Transition Metal Complexes with Sulfur Ligands. 136.1 Enforced Trans Coordination of Thiolate Donors in Electron Rich Iron, Ruthenium, and Nickel [M(L)(pyN~2~H~2~S~2~)] and [M(L)(pyS~4~)] Complexes (L = CO, PPh~3~, DMSO) (pyN2H2S22-= 2,6-Bis(2-mercaptophenylamino)dimethylpyridine(2-); pyS4^2-^ = 2,6-Bis(2-mercaptopheny...
Inorganic Chemistry
1,999
38
5314
5322
10.1021/ic990169h
0.71073
MoKα
0.0631
0.0448
null
0.1266
0.1235
null
null
null
0.955
1.157
1.157
null
null
null
has coordinates
Dieter Sellmann; Jürgen Utz; Frank W. Heinemann Transition Metal Complexes with Sulfur Ligands. 136.1 Enforced Trans Coordination of Thiolate Donors in Electron Rich Iron, Ruthenium, and Nickel [M(L)(pyN~2~H~2~S~2~)] and [M(L)(pyS~4~)] Complexes (L = CO, PPh~3~, DMSO) (pyN2H2S22-= 2,6-Bis(2-mercaptophenylamino)dimethyl...
179,326
2020-10-21
18:00:00
#------------------------------------------------------------------------------ #$Date: 2016-03-23 15:24:39 +0200 (Wed, 23 Mar 2016) $ #$Revision: 179326 $ #$URL: file:///home/coder/svn-repositories/_RELOADED_COD/cod-reloaded/cif/4/32/23/4322371.cif $ #-------------------------------------------------------------------...
2,003,590
11.746
0.001
16.535
0.001
24.139
0.001
90
null
90
null
90
null
4,688.3
0.5
293
null
null
null
null
null
null
null
5
P b c a
-P 2ac 2ab
61
- C20 H24 N8 Ni O6 -
- C20 H24 N8 Ni O6 -
- C160 H192 N64 Ni8 O48 -
8
1
NA1132
Soriano-García, M.; Pandiyan, T.; Durán de Bazúa, C.
[<i>N</i>,<i>N</i>'-Bis(benzimidazol-2-ylethyl)-1,2-ethanediamine](nitrato-<i>O</i>,<i>O</i>')nickel(II) Nitrate
Acta Crystallographica Section C
1,995
51
6
1107
1109
10.1107/S010827019401406X
0.71073
MoKα
null
0.034
null
null
0.065
null
null
null
null
1.51
1.51
null
null
null
has coordinates
Soriano-García, M.; Pandiyan, T.; Durán de Bazúa, C. [<i>N</i>,<i>N</i>'-Bis(benzimidazol-2-ylethyl)-1,2-ethanediamine](nitrato-<i>O</i>,<i>O</i>')nickel(II) Nitrate Acta Crystallographica Section C 51(6) (1995) 1107-1109
301,791
2025-08-18
23:15:24
#------------------------------------------------------------------------------ #$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/2/00/35/2003590.cif $ #-------------------------------------------------------------------...
2,003,591
7.24
0.001
14.373
0.003
7.444
0.002
90
null
90
null
90
null
774.6
0.3
293
null
null
null
null
null
null
null
see text
5
P c a 21
P 2c -2ac
29
- C6 H5 B F3 K -
- C6 H5 B Ce F3 K -
- C24 H20 B4 Ce4 F12 K4 -
4
1
NA1133
Conole, G.; Clough, A.; Whiting, A.
Potassium Trifluorophenylborate
Acta Crystallographica Section C
1,995
51
6
1056
1059
10.1107/S0108270194014198
0.71073
MoKα
null
0.0481
null
null
0.0501
null
null
null
null
null
null
null
null
null
has coordinates
Conole, G.; Clough, A.; Whiting, A. Potassium Trifluorophenylborate Acta Crystallographica Section C 51(6) (1995) 1056-1059
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/2/00/35/2003591.cif $ #-------------------------------------------------------------------...
2,003,592
6.537
0.004
15.04
0.009
14.572
0.01
90
null
92.92
0.05
90
null
1,430.8
1.6
291
null
291
null
null
null
null
null
4
P 1 21/n 1
-P 2yn
14
(±)-threo-2,3-diphenyl, 3-hydroxypropanoic acid, dimethylamide
- C17 H19 N O2 -
- C17 H19 N O2 -
- C68 H76 N4 O8 -
4
1
NA1137
Kolev, T.; Preut, H.; Bleckmann, P.; Juchnovski, I.
(±)-<i>threo</i>-3-Hydroxy-2,3-diphenylpropanoic Acid Dimethylamide
Acta Crystallographica Section C
1,995
51
6
1169
1170
10.1107/S0108270194014666
0.71073
MoKα
0.0705
0.0445
null
0.0916
0.068
null
null
null
null
0.73
0.73
null
null
null
has coordinates
Kolev, T.; Preut, H.; Bleckmann, P.; Juchnovski, I. (±)-<i>threo</i>-3-Hydroxy-2,3-diphenylpropanoic Acid Dimethylamide Acta Crystallographica Section C 51(6) (1995) 1169-1170
301,791
2025-08-18
23:15:24
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2,003,593
12.705
0.004
21.68
0.006
13.013
0.004
90
null
113.1
0.02
90
null
3,297
1.8
293
2
null
null
null
null
null
null
4
C 1 2/m 1
-C 2y
12
- Cl3 H18 N6 Ru -
- Cl3 H19 N6 Ru -
- Cl36 H228 N72 Ru12 -
12
1.5
OH1062
Engelhardt, L. M.; Reynolds, P. A.; Sobolev, A. N.
Reconciling the Crystal Structure of [Ru(NH~3~)~6~]Cl~3~ with its ESR Properties
Acta Crystallographica Section C
1,995
51
6
1045
1047
10.1107/S0108270194009522
0.71073
MoKα
null
0.0271
null
null
0.0695
null
null
null
null
1.179
1.179
null
null
null
has coordinates
Engelhardt, L. M.; Reynolds, P. A.; Sobolev, A. N. Reconciling the Crystal Structure of [Ru(NH~3~)~6~]Cl~3~ with its ESR Properties Acta Crystallographica Section C 51(6) (1995) 1045-1047
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/2/00/35/2003593.cif $ #-------------------------------------------------------------------...
2,003,594
14.351
0.003
6.468
0.001
11.498
0.002
90
null
118.42
0.01
90
null
938.6
0.3
293
null
null
null
null
null
null
null
3
C 1 2/c 1
-C 2yc
15
- H16 Na2 O10 -
- H16 Na2 O10 -
- H64 Na8 O40 -
4
0.5
OH1071
Grehl, M.; Fröhlich, R.; Thiele, S.
Na~2~O~2~.8H~2~O
Acta Crystallographica Section C
1,995
51
6
1038
1040
10.1107/S010827019401382X
0.71073
MoKα
null
0.0241
null
null
0.07
null
null
null
null
1.208
1.208
null
null
null
has coordinates
Grehl, M.; Fröhlich, R.; Thiele, S. Na~2~O~2~.8H~2~O Acta Crystallographica Section C 51(6) (1995) 1038-1040
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/2/00/35/2003594.cif $ #-------------------------------------------------------------------...
2,003,595
24.633
0.005
16.44
0.002
7.465
0.001
90
null
92.86
0.01
90
null
3,019.3
0.8
293
null
null
null
null
null
null
null
synthesis
3
P 1 21/c 1
-P 2ybc
14
- C18 H16 O6 -
- C18 H15 O6 -
- C144 H120 O48 -
8
2
PA1095
Wallet, J.-C.; Cody, V.
A New Polymorph of 7-Hydroxy-2',3',4'-trimethoxyflavone
Acta Crystallographica Section C
1,995
51
6
1193
1195
10.1107/S0108270194005986
1.54184
CuKα
null
0.052
null
null
0.064
null
null
null
null
2.3
2.3
null
null
null
has coordinates
Wallet, J.-C.; Cody, V. A New Polymorph of 7-Hydroxy-2',3',4'-trimethoxyflavone Acta Crystallographica Section C 51(6) (1995) 1193-1195
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/2/00/35/2003595.cif $ #-------------------------------------------------------------------...
2,003,596
12.258
0.007
22.289
0.004
13.297
0.006
90
null
104.64
0.04
90
null
3,515
3
293
null
293
null
null
null
null
null
5
C 1 c 1
C -2yc
9
- C30 H44 Cl2 N2 O13 -
- C30 H44 Cl2 N2 O13 -
- C120 H176 Cl8 N8 O52 -
4
1
PA1136
Lahrahar, N.; Marsau, P.; Bouas-Laurent, H.; Desvergne, J.-P.; Fages, F.
The Water Inclusion Complex of a Fluorescent Diprotonated Anthracenocryptand
Acta Crystallographica Section C
1,995
51
6
1218
1221
10.1107/S0108270194013570
0.71073
MoKα
null
0.061
null
null
0.056
null
null
null
null
1.47
1.47
null
null
null
has coordinates
Lahrahar, N.; Marsau, P.; Bouas-Laurent, H.; Desvergne, J.-P.; Fages, F. The Water Inclusion Complex of a Fluorescent Diprotonated Anthracenocryptand Acta Crystallographica Section C 51(6) (1995) 1218-1221
198,441
2020-10-21
18:00:00
#------------------------------------------------------------------------------ #$Date: 2017-07-05 00:59:33 +0300 (Wed, 05 Jul 2017) $ #$Revision: 198441 $ #$URL: file:///home/coder/svn-repositories/_RELOADED_COD/cod-reloaded/cif/2/00/35/2003596.cif $ #-------------------------------------------------------------------...
2,003,597
30.912
0.007
7.719
0.002
6.184
0.006
95.4
0.07
87.16
0.07
94.85
0.02
1,462.5
1.5
293
null
293
null
null
null
null
null
crystallized from toluene
4
P 1
P 1
1
4-(2,2,3,3,4,4,4-heptafluorobutyloxycarbonyl)phenyl undecyloxybenzoate
- C29 H33 F7 O5 -
- C29 H33 F7 O5 -
- C58 H66 F14 O10 -
2
2
PA1138
Kromm, P.; Allouchi, H.; Bideau, J.-P.; Cotrait, M.; Nguyen, H. T.
A Mesogenic Perfluorinated Compound
Acta Crystallographica Section C
1,995
51
6
1229
1231
10.1107/S0108270194013582
0.71069
MoKα
null
0.0452
null
null
0.0459
null
null
null
null
1.229
1.229
null
null
null
has coordinates
Kromm, P.; Allouchi, H.; Bideau, J.-P.; Cotrait, M.; Nguyen, H. T. A Mesogenic Perfluorinated Compound Acta Crystallographica Section C 51(6) (1995) 1229-1231
301,791
2025-08-18
23:15:24
#------------------------------------------------------------------------------ #$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/2/00/35/2003597.cif $ #-------------------------------------------------------------------...
2,003,598
16.881
0.009
12.659
0.009
9.201
0.006
90
null
90
null
90
null
1,966.5
null
298
null
null
null
null
null
null
null
from hexane
4
P m n b
null
- C19 H26 Cl2 Ti -
- C9.5 H13 Cl Ti0.5 -
- C38 H52 Cl4 Ti2 -
4
0.5
Urazowski, I.; Mkoyan, S.; Atovmyan, L.; Gautheron, B.; Broussier, R.; Perron, P.
syn-[2,2-Bis(3-isopropyl-η^5^-cyclopentadienyl)propane]dichlorotitanium
Acta Crystallographica Section C
1,995
51
6
1063
1064
10.1107/S0108270194014083
0.71069
MoKα
null
0.049
null
null
0.055
null
null
null
null
1.4
1.4
null
null
null
has coordinates
Urazowski, I.; Mkoyan, S.; Atovmyan, L.; Gautheron, B.; Broussier, R.; Perron, P. syn-[2,2-Bis(3-isopropyl-η^5^-cyclopentadienyl)propane]dichlorotitanium Acta Crystallographica Section C 51(6) (1995) 1063-1064
175,029
2020-10-21
18:00:00
#------------------------------------------------------------------------------ #$Date: 2016-01-25 16:04:37 +0200 (Mon, 25 Jan 2016) $ #$Revision: 175029 $ #$URL: file:///home/coder/svn-repositories/_RELOADED_COD/cod-reloaded/cif/2/00/35/2003598.cif $ #-------------------------------------------------------------------...
2,003,599
8.017
0.002
11.103
0.003
8.263
0.003
90
null
111.53
0.04
90
null
684.2
0.4
293
null
293
null
null
null
null
null
from chemical synthesis
3
P 1 21 1
P 2yb
4
2α,3α,7β,13β-diépoxy-trans-himachalane.
- C15 H24 O2 -
- C15 H24 O2 -
- C30 H48 O4 -
2
1
PA1152
Chiaroni, A.; Riche, C.; Benharref, A.; El Jamili, H.; Lassaba, E.
2α,3α:7β,13β-Diépoxy-<i>trans</i>-himachalane
Acta Crystallographica Section C
1,995
51
6
1171
1173
10.1107/S0108270194014125
0.7107
MoKα
null
0.057
null
null
0.075
null
null
null
null
1.04
1.04
null
null
null
has coordinates
Chiaroni, A.; Riche, C.; Benharref, A.; El Jamili, H.; Lassaba, E. 2α,3α:7β,13β-Diépoxy-<i>trans</i>-himachalane Acta Crystallographica Section C 51(6) (1995) 1171-1173
301,791
2025-08-18
23:15:24
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2,003,600
10.785
0.005
15.709
0.006
20.884
0.008
90
null
100.89
0.03
90
null
3,474
2
293
null
293
null
null
null
null
null
dimethylformamide/chloroform
6
P 1 21/n 1
-P 2yn
14
1,1-Dichloro-3,3,5,5-tetraphenyl-1λ^4^,2,6,3λ^5^,5λ^5^-selena- diazadiphosphorin
- C27 H24 Cl8 N2 P2 Se -
- C27 H24 Cl8 N2 P2 Se -
- C108 H96 Cl32 N8 P8 Se4 -
4
1
SE1064
Bolte, M.
1,1-Dichloro-3,3,5,5-tetraphenyl-1λ^4^,2,6,3λ^5^,5λ^5^-selenadiazadiphosphorin
Acta Crystallographica Section C
1,995
51
6
1209
1211
10.1107/S0108270194008334
0.71069
MoKα
0.18
0.1048
null
0.2991
0.2524
null
null
null
1.023
1.278
1.278
null
null
null
has coordinates,has disorder
Bolte, M. 1,1-Dichloro-3,3,5,5-tetraphenyl-1λ^4^,2,6,3λ^5^,5λ^5^-selenadiazadiphosphorin Acta Crystallographica Section C 51(6) (1995) 1209-1211
301,791
2025-08-18
23:15:24
#------------------------------------------------------------------------------ #$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/2/00/36/2003600.cif $ #-------------------------------------------------------------------...
2,003,601
7.838
0.004
15.318
0.004
8.84
0.004
90
null
116.22
0.04
90
null
952.1
0.8
295
null
null
null
null
null
null
null
4
P 1 21/a 1
-P 2yab
14
- C11 H7 N O3 -
- C11 H7 N O3 -
- C44 H28 N4 O12 -
4
1
SE1071
Steiner, T.
<i>N</i>-(Propargyloxy)phthalimide
Acta Crystallographica Section C
1,995
51
6
1135
1136
10.1107/S0108270194012941
1.54184
CuKα
null
0.049
null
null
0.049
null
null
null
null
1
1
null
null
null
has coordinates
Steiner, T. <i>N</i>-(Propargyloxy)phthalimide Acta Crystallographica Section C 51(6) (1995) 1135-1136
301,791
2025-08-18
23:15:24
#------------------------------------------------------------------------------ #$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/2/00/36/2003601.cif $ #-------------------------------------------------------------------...
2,003,602
11.623
0.001
20.861
0.002
12.57
0.001
90
null
116.47
0.01
90
null
2,728.3
0.5
173
1
173
1
null
null
null
null
5
P 1 21 1
P 2yb
4
Methyl 2-O-(Cyclohexylcarbamoyl)-6-deoxy-3,4-O- -(hexafluoroisopropylidene)-α-L-altropyranoside
- C43 H52 F24 N2 O15 -
- C43 H52 F24 N2 O15 -
- C86 H104 F48 N4 O30 -
2
1
SE1073
Kopf, J.; Sheldrick, G.; Reinke, H.; Rentsch, D.; Miethchen, R.
The 2:1 Adduct of an α-<small>L</small>-Altropyranose Derivative with Hexafluoro-2,6-dihydroxy-2,6-bis(trifluoromethyl)-4-heptanone at 173 K
Acta Crystallographica Section C
1,995
51
6
1198
1201
10.1107/S0108270194011157
1.54178
CuKα
0.0489
0.0475
null
0.1284
0.1246
null
null
null
1.038
1.028
1.028
null
null
null
has coordinates
Kopf, J.; Sheldrick, G.; Reinke, H.; Rentsch, D.; Miethchen, R. The 2:1 Adduct of an α-<small>L</small>-Altropyranose Derivative with Hexafluoro-2,6-dihydroxy-2,6-bis(trifluoromethyl)-4-heptanone at 173 K Acta Crystallographica Section C 51(6) (1995) 1198-1201
301,791
2025-08-18
23:15:24
#------------------------------------------------------------------------------ #$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/2/00/36/2003602.cif $ #-------------------------------------------------------------------...
2,003,603
15.279
0.006
16.864
0.006
10.424
0.003
90
null
90
null
90
null
2,685.9
1.6
293
null
null
null
null
null
null
null
Synthese in unserem Labor, Kristalle aus THF/n-Hexan
6
P b c n
-P 2n 2ab
60
- C22 H26 Cl4 N5 O2 P3 -
- C22 H26 Cl4 N5 O2 P3 -
- C88 H104 Cl16 N20 O8 P12 -
4
0.5
SE1074
Diefenbach, U.; Allcock, H. R.; Visscher, K. B.
Strukturuntersuchungen einer anorganisch-organischen Spiroverbindung aus Cyclotriphosphazen und 9,10-Diaminophenanthren
Acta Crystallographica Section C
1,995
51
6
1215
1218
10.1107/S0108270194013636
0.71073
MoKα
null
0.054
null
null
0.041
null
null
null
null
1.9
1.9
null
null
null
has coordinates
Diefenbach, U.; Allcock, H. R.; Visscher, K. B. Strukturuntersuchungen einer anorganisch-organischen Spiroverbindung aus Cyclotriphosphazen und 9,10-Diaminophenanthren Acta Crystallographica Section C 51(6) (1995) 1215-1218
301,791
2025-08-18
23:15:24
#------------------------------------------------------------------------------ #$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/2/00/36/2003603.cif $ #-------------------------------------------------------------------...
2,003,604
9.199
0.003
10.278
0.003
13.057
0.003
102.17
0.02
99.36
0.03
92.69
0.02
1,186.5
0.6
300
1
300
1
null
null
null
null
5
P -1
-P 1
2
Bis-(tetraphenylphosphonium)-hexachlorodiindat(II)
- C48 H40 Cl6 In2 P2 -
- C48 H40 Cl6 In2 P2 -
- C48 H40 Cl6 In2 P2 -
1
0.5
SE1075
Bubenheim, W.; Frenzen, G.; Müller, U.
Die Chloroindate [PPh~4~]~2~[In~2~Cl~6~] und [PPh~4~]~2~[InCl~5~].CH~3~CN
Acta Crystallographica Section C
1,995
51
6
1120
1124
10.1107/S0108270194011789
0.71073
MoKα
0.0443
0.0319
null
0.0812
0.0758
null
null
null
1.025
1.057
1.057
null
null
null
has coordinates
Bubenheim, W.; Frenzen, G.; Müller, U. Die Chloroindate [PPh~4~]~2~[In~2~Cl~6~] und [PPh~4~]~2~[InCl~5~].CH~3~CN Acta Crystallographica Section C 51(6) (1995) 1120-1124
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/2/00/36/2003604.cif $ #-------------------------------------------------------------------...
4,322,370
8.376
0.002
10.649
0.002
10.942
0.002
77.56
0.01
79.19
0.02
81.24
0.02
929.8
0.3
293
2
293
2
null
null
null
null
5
P -1
-P 1
2
- C38 H30 N2 Ni2 S8 -
- C38 H30 N2 Ni2 S8 -
- C38 H30 N2 Ni2 S8 -
1
0.5
Dieter Sellmann; Jürgen Utz; Frank W. Heinemann
Transition Metal Complexes with Sulfur Ligands. 136.1 Enforced Trans Coordination of Thiolate Donors in Electron Rich Iron, Ruthenium, and Nickel [M(L)(pyN~2~H~2~S~2~)] and [M(L)(pyS~4~)] Complexes (L = CO, PPh~3~, DMSO) (pyN2H2S22-= 2,6-Bis(2-mercaptophenylamino)dimethylpyridine(2-); pyS4^2-^ = 2,6-Bis(2-mercaptopheny...
Inorganic Chemistry
1,999
38
5314
5322
10.1021/ic990169h
0.71073
MoKα
0.175
0.0586
null
0.1486
0.126
null
null
null
0.685
1.097
1.097
null
null
null
has coordinates
Dieter Sellmann; Jürgen Utz; Frank W. Heinemann Transition Metal Complexes with Sulfur Ligands. 136.1 Enforced Trans Coordination of Thiolate Donors in Electron Rich Iron, Ruthenium, and Nickel [M(L)(pyN~2~H~2~S~2~)] and [M(L)(pyS~4~)] Complexes (L = CO, PPh~3~, DMSO) (pyN2H2S22-= 2,6-Bis(2-mercaptophenylamino)dimethyl...
179,326
2020-10-21
18:00:00
#------------------------------------------------------------------------------ #$Date: 2016-03-23 15:24:39 +0200 (Wed, 23 Mar 2016) $ #$Revision: 179326 $ #$URL: file:///home/coder/svn-repositories/_RELOADED_COD/cod-reloaded/cif/4/32/23/4322370.cif $ #-------------------------------------------------------------------...
2,003,605
10.093
0.002
11.018
0.003
22.133
0.004
96.03
0.02
95.25
0.02
107.34
0.02
2,316.8
0.9
299
2
299
2
null
null
null
null
6
P -1
-P 1
2
Tetraphenylphosphonium-pentachloroindat(III)-Acetonitril
- C50 H43 Cl5 In N P2 -
- C49 H40 Cl5 In N0.5 P2 -
- C98 H80 Cl10 In2 N P4 -
2
1
SE1075
Bubenheim, W.; Frenzen, G.; Müller, U.
Die Chloroindate [PPh~4~]~2~[In~2~Cl~6~] und [PPh~4~]~2~[InCl~5~].CH~3~CN
Acta Crystallographica Section C
1,995
51
6
1120
1124
10.1107/S0108270194011789
0.71073
MoKα
0.0366
0.0297
null
0.0804
0.0762
null
null
null
1.056
1.075
1.075
null
null
null
has coordinates
Bubenheim, W.; Frenzen, G.; Müller, U. Die Chloroindate [PPh~4~]~2~[In~2~Cl~6~] und [PPh~4~]~2~[InCl~5~].CH~3~CN Acta Crystallographica Section C 51(6) (1995) 1120-1124
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/2/00/36/2003605.cif $ #-------------------------------------------------------------------...
2,003,606
8.336
0.002
18.259
0.005
15.183
0.004
90
null
91.58
0.02
90
null
2,310.1
1
173
2
293
2
null
null
null
null
4
P 1 21/n 1
-P 2yn
14
- C20 H30 I2 P2 -
- C20 H30 I2 P2 -
- C80 H120 I8 P8 -
4
1
SH1103
Stammler, H.-G.; Jutzi, P.; Neumann, B.; Brusdeilins, N.
1,2-Diiod-1,2-bis(pentamethylcyclopentadienyl)diphosphan
Acta Crystallographica Section C
1,995
51
6
1139
1141
10.1107/S0108270194013272
0.71073
MoKα
0.1039
0.0703
null
0.183
0.1456
null
null
null
1.532
1.554
1.554
null
null
null
has coordinates
Stammler, H.-G.; Jutzi, P.; Neumann, B.; Brusdeilins, N. 1,2-Diiod-1,2-bis(pentamethylcyclopentadienyl)diphosphan Acta Crystallographica Section C 51(6) (1995) 1139-1141
301,791
2025-08-18
23:15:24
#------------------------------------------------------------------------------ #$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/2/00/36/2003606.cif $ #-------------------------------------------------------------------...
2,003,607
13.829
0.002
13.829
0.002
26.687
0.004
90
null
90
null
120
null
4,419.9
1.1
233
2
null
null
null
null
null
null
5
R 3 c :H
R 3 -2"c
161
- C30 H39 O3 P S -
- C30 H39 O3 P S -
- C180 H234 O18 P6 S6 -
6
0.333333
SH1106
Büyükgüngör, O.; Odabaşoğlu, M.; Gümrükçüoğlu, İ. E.; Eichhorn, K.; Mattern, G.
Tris(<i>O</i>-4-<i>tert</i>-butylphenyl)thiophosphate, C~30~H~39~O~3~PS
Acta Crystallographica Section C
1,995
51
6
1207
1209
10.1107/S0108270194013624
0.71069
MoKα
null
0.044
null
null
0.107
null
null
null
null
1.118
1.118
null
null
null
has coordinates
Büyükgüngör, O.; Odabaşoğlu, M.; Gümrükçüoğlu, İ. E.; Eichhorn, K.; Mattern, G. Tris(<i>O</i>-4-<i>tert</i>-butylphenyl)thiophosphate, C~30~H~39~O~3~PS Acta Crystallographica Section C 51(6) (1995) 1207-1209
301,791
2025-08-18
23:15:24
#------------------------------------------------------------------------------ #$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/2/00/36/2003607.cif $ #-------------------------------------------------------------------...
2,003,608
13.526
0.007
7.801
0.007
8.706
0.011
90
null
109.14
0.05
90
null
867.8
1.4
293
null
null
null
null
null
null
null
see text
5
C 1 2/c 1
-C 2yc
15
- C2 H10 Cr2 N2 O7 -
- C2 H10 Cr2 N2 O7 -
- C8 H40 Cr8 N8 O28 -
4
0.5
SH1107
Lorenzo-Luis, P. A.; Martín-Zarza, P.; Gili, P.; Arrieta, J. M.; Germain, G.; Dupont, L.
Ethylenediaminium Dichromate
Acta Crystallographica Section C
1,995
51
6
1073
1075
10.1107/S0108270194014836
0.71073
MoKα
null
0.0223
null
null
0.0733
null
null
null
null
0.837
0.837
null
null
null
has coordinates
Lorenzo-Luis, P. A.; Martín-Zarza, P.; Gili, P.; Arrieta, J. M.; Germain, G.; Dupont, L. Ethylenediaminium Dichromate Acta Crystallographica Section C 51(6) (1995) 1073-1075
301,791
2025-08-18
23:15:24
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2,003,609
9.68
0.005
12.846
0.005
16.944
0.006
90
null
90
null
90
null
2,107
1.6
293
null
null
null
null
null
null
null
synthesized in our own laboratory
5
P 21 21 21
P 2ac 2ab
19
- C23 H26 Cl2 O Ti -
- C23 H26 Cl2 O Ti -
- C92 H104 Cl8 O4 Ti4 -
4
1
TA1007
Tian, J.; Hu, N.-H.; Shen, Q.; Huang, B.-T.
Dichloro(η^5^-cyclopentadienyl){[1-(4-methoxyphenyl)cyclohexyl]-η^5^-cyclopentadienyl}titanium(IV)
Acta Crystallographica Section C
1,995
51
6
1065
1067
10.1107/S0108270194013910
0.71069
MoKα
null
0.066
null
null
0.086
null
null
null
null
1.09
1.09
null
null
null
has coordinates
Tian, J.; Hu, N.-H.; Shen, Q.; Huang, B.-T. Dichloro(η^5^-cyclopentadienyl){[1-(4-methoxyphenyl)cyclohexyl]-η^5^-cyclopentadienyl}titanium(IV) Acta Crystallographica Section C 51(6) (1995) 1065-1067
176,759
2020-10-21
18:00:00
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2,003,610
14.648
0.002
9.8802
0.0005
10.9
0.001
90
null
134.984
0.003
90
null
1,115.8
0.2
300
null
null
null
null
null
null
null
5
C 1 2 1
C 2y
5
- C22 H27 Cl2 N Sn -
- C22 H27 Cl2 N Sn -
- C44 H54 Cl4 N2 Sn2 -
2
0.5
TA1012
Ng, S. W.
Tetramethylammonium Dichlorotriphenylstannate
Acta Crystallographica Section C
1,995
51
6
1124
1125
10.1107/S0108270194014678
0.71073
MoKα
null
0.02
null
null
0.025
null
null
null
null
0.389
0.389
null
null
null
has coordinates
Ng, S. W. Tetramethylammonium Dichlorotriphenylstannate Acta Crystallographica Section C 51(6) (1995) 1124-1125
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/2/00/36/2003610.cif $ #-------------------------------------------------------------------...
2,003,611
15.964
0.003
13.603
0.001
10.835
0.002
90
null
97
0.007
90
null
2,335.4
0.6
298
null
293
null
null
null
null
null
6
C 1 2/c 1
-C 2yc
15
diaqua-2,13-dimethyl-3,12,18-triaza-6,9-dioxabicyclo[12.3.1]octadeca- 1(18),2,12,14,16-pentaenemagnesium(II) perchlorate
- C15 H25 Cl2 Mg N3 O12 -
- C15 H25 Cl2 Mg N3 O12 -
- C60 H100 Cl8 Mg4 N12 O48 -
4
0.5
TA1014
Othman, A. H.; Ng, S. W.
Diaqua[2,13-dimethyl-3,12,18-triaza-6,9-dioxa-bicyclo[12.3.1]octadeca-1(18),2,12,14,16-pentaene]magnesium(II) Diperchlorate
Acta Crystallographica Section C
1,995
51
6
1059
1060
10.1107/S0108270194014848
0.71073
MoKα
0.1008
0.0675
null
0.1994
0.17
null
null
null
1.062
1.099
1.099
null
null
null
has coordinates
Othman, A. H.; Ng, S. W. Diaqua[2,13-dimethyl-3,12,18-triaza-6,9-dioxa-bicyclo[12.3.1]octadeca-1(18),2,12,14,16-pentaene]magnesium(II) Diperchlorate Acta Crystallographica Section C 51(6) (1995) 1059-1060
176,759
2020-10-21
18:00:00
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2,003,612
16.38
0.003
5.5227
0.0005
17.355
0.003
90
null
108.78
0.08
90
null
1,486.4
0.8
300
null
null
null
null
null
null
null
5
P 1 21/n 1
-P 2yn
14
- C13 H16 N2 O5 S -
- C13 H16 N2 O5 S -
- C52 H64 N8 O20 S4 -
4
1
TA1018
Ng, S. W.
<i>S</i>-Benzylisothiouronium Hydrogen 2-Oxopentanedioate, C~8~H~11~N~2~S^+^.C~5~H~5~O~5~^{-^}
Acta Crystallographica Section C
1,995
51
6
1143
1144
10.1107/S0108270194012382
0.71073
MoKα
null
0.06
null
null
0.069
null
null
null
null
0.465
0.465
null
null
null
has coordinates
Ng, S. W. <i>S</i>-Benzylisothiouronium Hydrogen 2-Oxopentanedioate, C~8~H~11~N~2~S^+^.C~5~H~5~O~5~^{-^} Acta Crystallographica Section C 51(6) (1995) 1143-1144
176,759
2020-10-21
18:00:00
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2,003,613
13.247
0.003
6.769
0.001
7.302
0.001
90
null
107.39
0.02
90
null
624.8
0.2
298
2
298
2
null
null
null
null
5
P 1 21/c 1
-P 2ybc
14
di-chloro-bis(1-ethyltetrazole)copper(II)
trans-di-chloro-bis(1-ethyltetrazole-N^4^)copper(II)
- C6 H12 Cl2 Cu N8 -
- C6 H12 Cl2 Cu N8 -
- C12 H24 Cl4 Cu2 N16 -
2
0.5
VS1015
Virovets, A. V.; Podberezskaya, N. V.; Lavrenova, L. G.; Bikzhanova, G. A.
<i>trans</i>-Dichlorobis(1-ethyltetrazole-<i>N</i>^4^)copper(II)
Acta Crystallographica Section C
1,995
51
6
1084
1087
10.1107/S0108270194013429
1.54178
CuKα
0.0628
0.0611
null
0.1663
0.1636
null
null
null
1.065
1.088
1.088
null
null
null
has coordinates
Virovets, A. V.; Podberezskaya, N. V.; Lavrenova, L. G.; Bikzhanova, G. A. <i>trans</i>-Dichlorobis(1-ethyltetrazole-<i>N</i>^4^)copper(II) Acta Crystallographica Section C 51(6) (1995) 1084-1087
176,759
2020-10-21
18:00:00
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2,003,614
5.335
0.002
10.625
0.002
11.886
0.002
109.36
0.02
96.47
0.02
90.56
0.02
630.8
0.3
298
null
null
null
null
null
null
null
slow recrystallization from DMF
5
P -1
-P 1
2
- C12 H12 N4 O2 S -
- C12 H12 N4 O2 S -
- C24 H24 N8 O4 S2 -
2
1
AB1125
Pomés Hernández, R.; Duque Rodríguez, J.; García Trimiño, M. I.; Novoa de Armas, H.; Toscano, R. A.
6-Methylamino-4-methylthio-5-nitro-2-phenylpyrimidine
Acta Crystallographica Section C
1,995
51
7
1392
1394
10.1107/S0108270194013831
0.71069
MoKα
null
0.061
null
null
0.068
null
null
null
null
1.11
1.11
null
null
null
has coordinates
Pomés Hernández, R.; Duque Rodríguez, J.; García Trimiño, M. I.; Novoa de Armas, H.; Toscano, R. A. 6-Methylamino-4-methylthio-5-nitro-2-phenylpyrimidine Acta Crystallographica Section C 51(7) (1995) 1392-1394
301,791
2025-08-18
23:15:24
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2,003,615
10.412
0.003
12.9
0.002
16.892
0.005
81.48
0.03
73.48
0.03
79.6
0.02
2,128.1
1
293
1
null
null
null
null
null
null
3
P -1
-P 1
2
- C48 H64 O2 -
- C48 H64 O2 -
- C96 H128 O4 -
2
1
AB1130
Ting, Y.; Verboom, W.; Reinhoudt, D. N.; Harkema, S.
1,3-Diethoxy-2,4-didehydroxy-<i>p</i>-<i>tert</i>-butylcalix[4]arene
Acta Crystallographica Section C
1,995
51
7
1465
1467
10.1107/S0108270194014150
0.7107
MoKα
null
0.07
null
null
0.08
null
null
null
null
2.38
2.38
null
null
null
has coordinates
Ting, Y.; Verboom, W.; Reinhoudt, D. N.; Harkema, S. 1,3-Diethoxy-2,4-didehydroxy-<i>p</i>-<i>tert</i>-butylcalix[4]arene Acta Crystallographica Section C 51(7) (1995) 1465-1467
301,791
2025-08-18
23:15:24
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2,003,616
9.093
0.007
12.108
0.009
12.599
0.008
64.1
0.04
80.35
0.05
87.61
0.06
1,229.4
1.6
178
1
null
null
null
null
null
null
5
P -1
-P 1
2
- C32 H80 Ni2 O16 Sb4 -
- C32 H80 Ni2 O16 Sb4 -
- C32 H80 Ni2 O16 Sb4 -
1
0.5
AB1151
Bemm, U.; Norrestam, R.; Nygren, M.; Westin, G.
Two Transition-Metal Antimony Ethoxides: <i>M</i>~2~Sb~4~(OEt)~16~; <i>M</i> = Ni or Mn
Acta Crystallographica Section C
1,995
51
7
1260
1263
10.1107/S0108270195000783
0.71073
MoKα
null
0.033
null
null
0.038
null
null
null
null
null
null
null
null
null
has coordinates
Bemm, U.; Norrestam, R.; Nygren, M.; Westin, G. Two Transition-Metal Antimony Ethoxides: <i>M</i>~2~Sb~4~(OEt)~16~; <i>M</i> = Ni or Mn Acta Crystallographica Section C 51(7) (1995) 1260-1263
176,759
2020-10-21
18:00:00
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2,003,617
9.143
0.004
12.318
0.004
12.798
0.004
63.65
0.02
79.9
0.02
86.86
0.02
1,271.1
0.8
178
1
null
null
null
null
null
null
5
P -1
-P 1
2
- C32 H80 Mn2 O16 Sb4 -
- C32 H80 Mn2 O16 Sb4 -
- C32 H80 Mn2 O16 Sb4 -
1
0.5
AB1151
Bemm, U.; Norrestam, R.; Nygren, M.; Westin, G.
Two Transition-Metal Antimony Ethoxides: <i>M</i>~2~Sb~4~(OEt)~16~; <i>M</i> = Ni or Mn
Acta Crystallographica Section C
1,995
51
7
1260
1263
10.1107/S0108270195000783
0.71073
MoKα
null
0.039
null
null
0.054
null
null
null
null
null
null
null
null
null
has coordinates
Bemm, U.; Norrestam, R.; Nygren, M.; Westin, G. Two Transition-Metal Antimony Ethoxides: <i>M</i>~2~Sb~4~(OEt)~16~; <i>M</i> = Ni or Mn Acta Crystallographica Section C 51(7) (1995) 1260-1263
176,759
2020-10-21
18:00:00
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2,003,618
10.879
0.005
17.591
0.007
10.649
0.005
102.96
0.04
97.46
0.03
81.64
0.03
1,954.9
1.5
296
null
null
null
null
null
null
null
5
P -1
-P 1
2
- C40 H38 P2 Pd2 S4 -
- C40 P2 Pd2 S4 -
- C80 P4 Pd4 S8 -
2
1
AB1192
Cao, R.; Hong, M.; Jiang, F.; Liu, H.
A Dinuclear Palladium Compound, [Pd~2~(PPh~3~)~2~(SC~2~H~4~S)~2~]
Acta Crystallographica Section C
1,995
51
7
1280
1282
10.1107/S0108270194015076
0.71073
MoKα
null
0.041
null
null
0.047
null
null
null
null
3.327
3.327
null
null
null
has coordinates
Cao, R.; Hong, M.; Jiang, F.; Liu, H. A Dinuclear Palladium Compound, [Pd~2~(PPh~3~)~2~(SC~2~H~4~S)~2~] Acta Crystallographica Section C 51(7) (1995) 1280-1282
176,759
2020-10-21
18:00:00
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2,003,619
12.841
0.007
8.113
0.004
14.219
0.007
90
null
115.89
0.04
90
null
1,332.6
1.3
293
2
293
2
null
null
null
null
3
P 1 21/c 1
-P 2ybc
14
7-Hydroxy-4'-methoxy Flavanone
- C16 H14 O4 -
- C16 H14 O4 -
- C64 H56 O16 -
4
1
AB1220
Kendi, E.; Özbey, S.; Ertan, R.; Fun, H.-K.; Yip, B.-C.
7-Hydroxy-4'-methoxyflavanone
Acta Crystallographica Section C
1,995
51
7
1442
1444
10.1107/S010827019500062X
0.71073
MoKα
0.1035
0.0598
null
0.1868
0.1614
null
null
null
1.075
1.276
1.276
null
null
null
has coordinates,has disorder
Kendi, E.; Özbey, S.; Ertan, R.; Fun, H.-K.; Yip, B.-C. 7-Hydroxy-4'-methoxyflavanone Acta Crystallographica Section C 51(7) (1995) 1442-1444
301,791
2025-08-18
23:15:24
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2,003,620
5.894
0.003
12.954
0.001
23.602
0.002
90
null
90
null
90
null
1,802
0.9
293
null
null
null
null
null
null
null
The material was supplied by Aldrich and recrystallized from toluene
3
F 2 d d
F -2d 2
43
- C12 H8 F2 -
- C12 H8 F2 -
- C96 H64 F16 -
8
0.5
AB1225
Rajnikant; Watkin, D.; Tranter, G.
Disordered Fluorine in 2-Fluorobiphenyl
Acta Crystallographica Section C
1,995
51
7
1452
1454
10.1107/S0108270195000631
1.54184
CuKα
null
0.04534
null
null
0.06006
null
null
null
null
0.85
0.85
null
null
null
has coordinates
Rajnikant; Watkin, D.; Tranter, G. Disordered Fluorine in 2-Fluorobiphenyl Acta Crystallographica Section C 51(7) (1995) 1452-1454
301,791
2025-08-18
23:15:24
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2,003,621
5.9268
0.0002
19.6263
0.0015
22.9946
0.0024
90
null
93.853
0.006
90
null
2,668.7
0.4
295
null
null
null
null
null
null
null
5
P 1 21/c 1
-P 2ybc
14
- C19 H15 Cl3 N12 O8 -
- C19 H15 Cl3 N12 O10 -
- C76 H60 Cl12 N48 O40 -
4
1
AB1234
Llamas-Saiz, A. L.; Foces-Foces, C.; Echevarría, A.; Elguero, J.
The Relative Basicities of Tris(pyrazol-1-yl)-1,3,5-triazine (TPT), Water and the Picrate Anion in the Solid State
Acta Crystallographica Section C
1,995
51
7
1401
1404
10.1107/S010827019500028X
1.5418
CuKα
null
0.062
null
null
0.071
null
null
null
null
1.15
1.15
null
null
null
has coordinates
Llamas-Saiz, A. L.; Foces-Foces, C.; Echevarría, A.; Elguero, J. The Relative Basicities of Tris(pyrazol-1-yl)-1,3,5-triazine (TPT), Water and the Picrate Anion in the Solid State Acta Crystallographica Section C 51(7) (1995) 1401-1404
176,759
2020-10-21
18:00:00
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4,322,369
8.405
0.003
11.26
0.006
12.265
0.005
67.97
0.04
84.3
0.03
88.5
0.04
1,070.6
0.9
293
2
293
2
null
null
null
null
6
P -1
-P 1
2
- C21 H19 Fe N O2 S4 -
- C21 H19 Fe N O2 S4 -
- C42 H38 Fe2 N2 O4 S8 -
2
1
Dieter Sellmann; Jürgen Utz; Frank W. Heinemann
Transition Metal Complexes with Sulfur Ligands. 136.1 Enforced Trans Coordination of Thiolate Donors in Electron Rich Iron, Ruthenium, and Nickel [M(L)(pyN~2~H~2~S~2~)] and [M(L)(pyS~4~)] Complexes (L = CO, PPh~3~, DMSO) (pyN2H2S22-= 2,6-Bis(2-mercaptophenylamino)dimethylpyridine(2-); pyS4^2-^ = 2,6-Bis(2-mercaptopheny...
Inorganic Chemistry
1,999
38
5314
5322
10.1021/ic990169h
0.71073
MoKα
0.0388
0.0268
null
0.0686
0.0662
null
null
null
0.923
1.035
1.035
null
null
null
has coordinates
Dieter Sellmann; Jürgen Utz; Frank W. Heinemann Transition Metal Complexes with Sulfur Ligands. 136.1 Enforced Trans Coordination of Thiolate Donors in Electron Rich Iron, Ruthenium, and Nickel [M(L)(pyN~2~H~2~S~2~)] and [M(L)(pyS~4~)] Complexes (L = CO, PPh~3~, DMSO) (pyN2H2S22-= 2,6-Bis(2-mercaptophenylamino)dimethyl...
179,326
2020-10-21
18:00:00
#------------------------------------------------------------------------------ #$Date: 2016-03-23 15:24:39 +0200 (Wed, 23 Mar 2016) $ #$Revision: 179326 $ #$URL: file:///home/coder/svn-repositories/_RELOADED_COD/cod-reloaded/cif/4/32/23/4322369.cif $ #-------------------------------------------------------------------...
2,003,622
21.8247
0.0007
21.8247
0.0007
11.1964
0.0004
90
null
90
null
120
null
4,618.5
0.3
295
null
null
null
null
null
null
null
3
P 62
P 62
171
- C17 H20 O2 -
- C17 H20.5 O2 -
- C204 H246 O24 -
12
2
AB1235
Llamas-Saiz, A. L.; Foces-Foces, C.; Weber, E.; Wimmer, C.
A Crystalline Inclusion Compound and Two Host Structures Containing Chiral Molecules Derived from Lactic Acid
Acta Crystallographica Section C
1,995
51
7
1447
1452
10.1107/S0108270195000801
1.5418
CuKα
null
0.055
null
null
0.074
null
null
null
null
1.05
1.05
null
null
null
has coordinates
Llamas-Saiz, A. L.; Foces-Foces, C.; Weber, E.; Wimmer, C. A Crystalline Inclusion Compound and Two Host Structures Containing Chiral Molecules Derived from Lactic Acid Acta Crystallographica Section C 51(7) (1995) 1447-1452
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/2/00/36/2003622.cif $ #-------------------------------------------------------------------...
2,003,623
25.5347
0.0033
17.3004
0.0014
7.6486
0.0003
90
null
90
null
90
null
3,378.8
0.5
295
null
null
null
null
null
null
null
3
I b a 2
I 2 -2c
45
- C23 H20 O2 -
- C23 H20 O2 -
- C184 H160 O16 -
8
1
AB1235
Llamas-Saiz, A. L.; Foces-Foces, C.; Weber, E.; Wimmer, C.
A Crystalline Inclusion Compound and Two Host Structures Containing Chiral Molecules Derived from Lactic Acid
Acta Crystallographica Section C
1,995
51
7
1447
1452
10.1107/S0108270195000801
1.5418
CuKα
null
0.035
null
null
0.039
null
null
null
null
1.15
1.15
null
null
null
has coordinates
Llamas-Saiz, A. L.; Foces-Foces, C.; Weber, E.; Wimmer, C. A Crystalline Inclusion Compound and Two Host Structures Containing Chiral Molecules Derived from Lactic Acid Acta Crystallographica Section C 51(7) (1995) 1447-1452
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/2/00/36/2003623.cif $ #-------------------------------------------------------------------...
2,003,624
11.6039
0.0005
31.6071
0.0019
6.2398
0.0002
90
null
102.22
0.003
90
null
2,236.69
0.18
295
null
null
null
null
null
null
null
4
P 1 21 1
P 2yb
4
- C52 H71 N O4 -
- C52 H71 N O4 -
- C104 H142 N2 O8 -
2
1
AB1235
Llamas-Saiz, A. L.; Foces-Foces, C.; Weber, E.; Wimmer, C.
A Crystalline Inclusion Compound and Two Host Structures Containing Chiral Molecules Derived from Lactic Acid
Acta Crystallographica Section C
1,995
51
7
1447
1452
10.1107/S0108270195000801
1.5418
CuKα
null
0.049
null
null
0.056
null
null
null
null
1.15
1.15
null
null
null
has coordinates
Llamas-Saiz, A. L.; Foces-Foces, C.; Weber, E.; Wimmer, C. A Crystalline Inclusion Compound and Two Host Structures Containing Chiral Molecules Derived from Lactic Acid Acta Crystallographica Section C 51(7) (1995) 1447-1452
301,791
2025-08-18
23:15:24
#------------------------------------------------------------------------------ #$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/2/00/36/2003624.cif $ #-------------------------------------------------------------------...
2,003,625
7.487
0.002
15.47
0.007
8.131
0.007
90
null
109.55
0.03
90
null
887.5
0.9
293
2
293
2
null
null
null
null
Lab. of Medicinal Chemistry, Liège
5
P 1 21/a 1
-P 2yab
14
3-amino-4H-pyrido[4,3-e]-1,2,4-thiadiazine 1,1-dioxide monohydrate
- C6 H8 N4 O3 S -
- C6 H8 N4 O3 S -
- C24 H32 N16 O12 S4 -
4
1
AB1238
Dupont, L.; Pirotte, B.; de Tullio, P.; Masereel, B.; Delarge, J.
3-Amino-4<i>H</i>-pyrido[4,3-<i>e</i>]-1,2,4-thiadiazine 1,1-Dioxide Monohydrate and 3-<i>tert</i>-Butyl-4<i>H</i>-pyrido[4,3-<i>e</i>]-1,2,4-thiadiazine 1,1-Dioxide
Acta Crystallographica Section C
1,995
51
7
1385
1388
10.1107/S0108270195000278
1.5418
CuKα
0.0466
0.0342
null
0.1035
0.1002
null
null
null
1.062
1.173
1.173
null
null
null
has coordinates
Dupont, L.; Pirotte, B.; de Tullio, P.; Masereel, B.; Delarge, J. 3-Amino-4<i>H</i>-pyrido[4,3-<i>e</i>]-1,2,4-thiadiazine 1,1-Dioxide Monohydrate and 3-<i>tert</i>-Butyl-4<i>H</i>-pyrido[4,3-<i>e</i>]-1,2,4-thiadiazine 1,1-Dioxide Acta Crystallographica Section C 51(7) (1995) 1385-1388
301,791
2025-08-18
23:15:24
#------------------------------------------------------------------------------ #$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/2/00/36/2003625.cif $ #-------------------------------------------------------------------...
2,003,626
9.802
0.009
11.682
0.009
10.384
0.016
90
null
108
0.1
90
null
1,131
2
293
2
293
2
null
null
null
null
Lab. of Medicinal Chemistry, Liège
5
P 1 21/a 1
-P 2yab
14
3-tert butyl-4H-pyrido[4,3-e]-1,2,4-thiadiazine 1,1-dioxide
- C10 H13 N3 O2 S -
- C10 H13 N3 O2 S -
- C40 H52 N12 O8 S4 -
4
1
AB1238
Dupont, L.; Pirotte, B.; de Tullio, P.; Masereel, B.; Delarge, J.
3-Amino-4<i>H</i>-pyrido[4,3-<i>e</i>]-1,2,4-thiadiazine 1,1-Dioxide Monohydrate and 3-<i>tert</i>-Butyl-4<i>H</i>-pyrido[4,3-<i>e</i>]-1,2,4-thiadiazine 1,1-Dioxide
Acta Crystallographica Section C
1,995
51
7
1385
1388
10.1107/S0108270195000278
1.5418
CuKα
0.0489
0.0443
null
0.1297
0.1276
null
null
null
1.103
1.16
1.16
null
null
null
has coordinates
Dupont, L.; Pirotte, B.; de Tullio, P.; Masereel, B.; Delarge, J. 3-Amino-4<i>H</i>-pyrido[4,3-<i>e</i>]-1,2,4-thiadiazine 1,1-Dioxide Monohydrate and 3-<i>tert</i>-Butyl-4<i>H</i>-pyrido[4,3-<i>e</i>]-1,2,4-thiadiazine 1,1-Dioxide Acta Crystallographica Section C 51(7) (1995) 1385-1388
301,791
2025-08-18
23:15:24
#------------------------------------------------------------------------------ #$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/2/00/36/2003626.cif $ #-------------------------------------------------------------------...
4,322,368
9.907
0.002
10.722
0.002
14.162
0.003
81.95
0.03
89.62
0.03
82.69
0.03
1,477.3
0.5
293
2
293
2
null
null
null
null
5
P -1
-P 1
2
- C42 H84 K4 O10 Sn2 -
- C10.485 K O2.5 Sn0.5 -
- C41.94 K4 O10 Sn2 -
4
2
Michael Veith; Charu Mathur; Sanjay Mathur; Volker Huch
Unusual Sandwiching of the Cyclopentadienyl Anion in [K4(C5H5)2M2(OBut)6(CH3OCH2CH2OCH3)2]n (M = Ge, Sn)
Inorganic Chemistry
1,999
38
5461
5463
10.1021/ic9814120
0.71073
MoKα
0.0543
0.046
null
null
0.1339
0.1396
null
null
null
null
null
1.044
null
null
has coordinates
Michael Veith; Charu Mathur; Sanjay Mathur; Volker Huch Unusual Sandwiching of the Cyclopentadienyl Anion in [K4(C5H5)2M2(OBut)6(CH3OCH2CH2OCH3)2]n (M = Ge, Sn) Inorganic Chemistry 38 (1999) 5461-5463
179,326
2020-10-21
18:00:00
#------------------------------------------------------------------------------ #$Date: 2016-03-23 15:24:39 +0200 (Wed, 23 Mar 2016) $ #$Revision: 179326 $ #$URL: file:///home/coder/svn-repositories/_RELOADED_COD/cod-reloaded/cif/4/32/23/4322368.cif $ #-------------------------------------------------------------------...
2,003,627
9.315
0.003
12.995
0.005
8.913
0.003
105.63
0.03
104.29
0.03
69.98
0.03
961.9
0.6
293
2
293
2
null
null
null
null
5
P -1
-P 1
2
(3-chloro-1,2-propanediolato)bis(2,3-dimethyl-2,3- butanediolato)tungsten(VI)
- C15 H29 Cl O6 W -
- C15 H29 Cl O6 W -
- C30 H58 Cl2 O12 W2 -
2
1
AB1247
Lehtonen, A.; Sillanpää, R.
(3-Chloro-1,2-propanediolato-<i>O</i>,<i>O</i>')bis(2,3-dimethyl-2,3-butanediolato-<i>O</i>,<i>O</i>')tungsten(VI)
Acta Crystallographica Section C
1,995
51
7
1270
1271
10.1107/S0108270195000485
0.71069
MoKα
0.0813
0.0466
null
0.1225
0.1091
null
null
null
1.056
1.076
1.076
null
null
null
has coordinates
Lehtonen, A.; Sillanpää, R. (3-Chloro-1,2-propanediolato-<i>O</i>,<i>O</i>')bis(2,3-dimethyl-2,3-butanediolato-<i>O</i>,<i>O</i>')tungsten(VI) Acta Crystallographica Section C 51(7) (1995) 1270-1271
301,791
2025-08-18
23:15:24
#------------------------------------------------------------------------------ #$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/2/00/36/2003627.cif $ #-------------------------------------------------------------------...
2,003,628
10.352
0.002
7.119
0.001
10.652
0.002
90
null
104.89
0.03
90
null
758.6
0.3
130
2
130
2
null
null
null
null
evaporation from hexane/dichloromethane
5
P 1 21 1
P 2yb
4
methyl (S)-2-benzenesulfonyloxy-4-bromo-4-methylpentanoate
- C13 H17 Br O5 S -
- C13 H17 Br O5 S -
- C26 H34 Br2 O10 S2 -
2
1
AB1251
Shaw, J. P.; Tan, E. W.; Blackman, A. G.
Homochiral Methyl (<i>S</i>)-2-Benzenesulfonyloxy-4-bromo-4-methylpentanoate
Acta Crystallographica Section C
1,995
51
7
1411
1412
10.1107/S0108270195001818
0.71073
MoKα
0.0555
0.04
null
0.0898
0.0829
null
null
null
1.05
1.068
1.068
null
null
null
has coordinates
Shaw, J. P.; Tan, E. W.; Blackman, A. G. Homochiral Methyl (<i>S</i>)-2-Benzenesulfonyloxy-4-bromo-4-methylpentanoate Acta Crystallographica Section C 51(7) (1995) 1411-1412
301,791
2025-08-18
23:15:24
#------------------------------------------------------------------------------ #$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/2/00/36/2003628.cif $ #-------------------------------------------------------------------...
2,003,629
9.834
0.005
10.973
0.006
11.51
0.006
112.51
0.02
89.56
0.02
107.24
0.02
1,087.9
1
295
2
295
2
null
null
null
null
3
P -1
-P 1
2
anthracenecarboxylic anhydride
5,5'-di(anthracenecarboxylic) anhydride
- C30 H18 O3 -
- C30 H18 O3 -
- C60 H36 O6 -
2
1
AB1274
Blake, A. J.; Grimditch, R. S.; Schröder, M.
5,5'-Di(anthracenecarboxylic) Anhydride
Acta Crystallographica Section C
1,995
51
7
1472
1474
10.1107/S0108270195004306
0.71073
MoKα
0.0935
0.0555
null
0.1724
0.1285
null
null
null
1.042
1.07
1.07
null
null
null
has coordinates
Blake, A. J.; Grimditch, R. S.; Schröder, M. 5,5'-Di(anthracenecarboxylic) Anhydride Acta Crystallographica Section C 51(7) (1995) 1472-1474
301,791
2025-08-18
23:15:24
#------------------------------------------------------------------------------ #$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/2/00/36/2003629.cif $ #-------------------------------------------------------------------...
2,003,630
6.466
0.003
4.634
0.002
10.755
0.005
90
null
94.74
0.04
90
null
321.2
0.3
293
null
null
null
null
null
null
null
4
P 1 21 1
P 2yb
4
- C5 H4 N2 O4 -
- C5 H4 N2 O4 -
- C10 H8 N4 O8 -
2
1
AS1123
Stash, A. I.; Zavodnik, V. E.; Belsky, V. K.
A <i>Z</i> Isomer of 5-Nitrofuran-2-aldoxime
Acta Crystallographica Section C
1,995
51
7
1303
1304
10.1107/S0108270194011042
0.71069
MoKα
null
0.03
null
null
0.08
null
null
null
null
1.13
1.13
null
null
null
has coordinates
Stash, A. I.; Zavodnik, V. E.; Belsky, V. K. A <i>Z</i> Isomer of 5-Nitrofuran-2-aldoxime Acta Crystallographica Section C 51(7) (1995) 1303-1304
301,791
2025-08-18
23:15:24
#------------------------------------------------------------------------------ #$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/2/00/36/2003630.cif $ #-------------------------------------------------------------------...
2,003,631
10.086
0.003
8.829
0.002
10.503
0.002
90
null
103.43
0.02
90
null
909.7
0.4
296
null
null
null
null
null
null
null
3
P 1 21/n 1
-P 2yn
14
- C9 H10 O5 -
- C9 H10 O5 -
- C36 H40 O20 -
4
1
AS1143
Okabe, N.; Suga, T.; Kohyama, Y.
<small>DL</small>-4-Hydroxy-3-methoxymandelic Acid
Acta Crystallographica Section C
1,995
51
7
1322
1324
10.1107/S0108270194013259
0.71069
MoKα
null
0.047
null
null
0.054
null
null
null
null
1.71
1.71
null
null
null
has coordinates
Okabe, N.; Suga, T.; Kohyama, Y. <small>DL</small>-4-Hydroxy-3-methoxymandelic Acid Acta Crystallographica Section C 51(7) (1995) 1322-1324
301,791
2025-08-18
23:15:24
#------------------------------------------------------------------------------ #$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/2/00/36/2003631.cif $ #-------------------------------------------------------------------...
2,003,632
13.945
0.009
15.406
0.008
13.83
0.008
90
null
90
null
90
null
2,971
3
295
null
null
null
null
null
null
null
4
P b c a
-P 2ac 2ab
61
- C13 H16 Br2 O4 -
- C13 H16 Br2 O4 -
- C104 H128 Br16 O32 -
8
1
AS1147
Satake, K.; Itoh, H.; Kimura, M.; Morosawa, S.; Kashino, S.
Dimethyl 4-<i>exo</i>,9-<i>endo</i>-Dibromobicyclo[3.3.1]non-2-ene-2,3-dicarboxylate
Acta Crystallographica Section C
1,995
51
7
1397
1399
10.1107/S0108270195001235
0.71073
MoKα
null
0.047
null
null
0.03
null
null
null
null
1.53
1.53
null
null
null
has coordinates
Satake, K.; Itoh, H.; Kimura, M.; Morosawa, S.; Kashino, S. Dimethyl 4-<i>exo</i>,9-<i>endo</i>-Dibromobicyclo[3.3.1]non-2-ene-2,3-dicarboxylate Acta Crystallographica Section C 51(7) (1995) 1397-1399
301,791
2025-08-18
23:15:24
#------------------------------------------------------------------------------ #$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/2/00/36/2003632.cif $ #-------------------------------------------------------------------...
2,003,633
11.528
0.003
9.166
0.001
14.655
0.002
90
null
90
null
90
null
1,548.5
0.5
296
null
null
null
null
null
null
null
4
P b c a
-P 2ac 2ab
61
- C8 H7 N3 O -
- C8 H7 N3 O -
- C64 H56 N24 O8 -
8
1
AS1148
Yang, Q.-C.; Huang, D.-M.; Chen, H.-Y.; Tang, Y.-Q.
Phenyl Carbamidonitrile
Acta Crystallographica Section C
1,995
51
7
1412
1414
10.1107/S0108270194014290
0.71073
MoKα
null
0.0436
null
null
0.0455
null
null
null
null
1.51
1.51
null
null
null
has coordinates
Yang, Q.-C.; Huang, D.-M.; Chen, H.-Y.; Tang, Y.-Q. Phenyl Carbamidonitrile Acta Crystallographica Section C 51(7) (1995) 1412-1414
301,791
2025-08-18
23:15:24
#------------------------------------------------------------------------------ #$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/2/00/36/2003633.cif $ #-------------------------------------------------------------------...
2,003,634
4.867
0.002
6.895
0.002
20.2
0.006
90
null
95.23
0.01
90
null
675
0.4
293
null
null
null
null
null
null
null
see text
3
P 1 21/n 1
-P 2yn
14
- C7 H8 O3 -
- C7 H8 O3 -
- C28 H32 O12 -
4
1
AS1151
Brown, S. D.; Burgess, J.; Fawcett, J.; Parsons, S. A.; Russell, D. R.; Waltham, E.
Three Polymorphic Forms of 2-Ethyl-3-hydroxy-4-pyranone (Ethyl Maltol)
Acta Crystallographica Section C
1,995
51
7
1335
1338
10.1107/S010827019401423X
0.71073
MoKα
null
0.077
null
null
0.104
null
null
null
null
1.83
1.83
null
null
null
has coordinates
Brown, S. D.; Burgess, J.; Fawcett, J.; Parsons, S. A.; Russell, D. R.; Waltham, E. Three Polymorphic Forms of 2-Ethyl-3-hydroxy-4-pyranone (Ethyl Maltol) Acta Crystallographica Section C 51(7) (1995) 1335-1338
301,791
2025-08-18
23:15:24
#------------------------------------------------------------------------------ #$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/2/00/36/2003634.cif $ #-------------------------------------------------------------------...
2,003,635
20.828
0.003
20.828
0.003
7.832
0.002
90
null
90
null
120
null
2,942.4
1
293
null
null
null
null
null
null
null
see text
3
R -3 :H
-R 3
148
- C7 H8 O3 -
- C7 H8 O3 -
- C126 H144 O54 -
18
1
AS1151
Brown, S. D.; Burgess, J.; Fawcett, J.; Parsons, S. A.; Russell, D. R.; Waltham, E.
Three Polymorphic Forms of 2-Ethyl-3-hydroxy-4-pyranone (Ethyl Maltol)
Acta Crystallographica Section C
1,995
51
7
1335
1338
10.1107/S010827019401423X
0.71073
MoKα
null
0.0408
null
null
0.057
null
null
null
null
1.21
1.21
null
null
null
has coordinates
Brown, S. D.; Burgess, J.; Fawcett, J.; Parsons, S. A.; Russell, D. R.; Waltham, E. Three Polymorphic Forms of 2-Ethyl-3-hydroxy-4-pyranone (Ethyl Maltol) Acta Crystallographica Section C 51(7) (1995) 1335-1338
301,791
2025-08-18
23:15:24
#------------------------------------------------------------------------------ #$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/2/00/36/2003635.cif $ #-------------------------------------------------------------------...
2,003,636
7.144
0.003
7.641
0.002
7.7
0.004
62.13
0.01
68.28
0.01
76.39
0.01
344.2
0.3
293
null
null
null
null
null
null
null
see text
3
P -1
-P 1
2
- C7 H8 O3 -
- C7 H8 O3 -
- C14 H16 O6 -
2
1
Brown, S. D.; Burgess, J.; Fawcett, J.; Parsons, S. A.; Russell, D. R.; Waltham, E.
Three Polymorphic Forms of 2-Ethyl-3-hydroxy-4-pyranone (Ethyl Maltol)
Acta Crystallographica Section C
1,995
51
7
1335
1338
10.1107/S010827019401423X
0.71073
MoKα
null
0.0519
null
null
0.0733
null
null
null
null
1.1
1.1
null
null
null
has coordinates
Brown, S. D.; Burgess, J.; Fawcett, J.; Parsons, S. A.; Russell, D. R.; Waltham, E. Three Polymorphic Forms of 2-Ethyl-3-hydroxy-4-pyranone (Ethyl Maltol) Acta Crystallographica Section C 51(7) (1995) 1335-1338
301,791
2025-08-18
23:15:24
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2,003,637
6.807
0.001
8.5813
0.0009
13.994
0.004
90
null
98.2
0.01
90
null
809.1
0.3
298
2
null
null
null
null
null
null
see text
5
P 1 21/n 1
-P 2yn
14
- C6 H8 Cl N O3 -
- C6 H8 Cl N O3 -
- C24 H32 Cl4 N4 O12 -
4
1
AS1154
Smith, G.; Byriel, K. A.; Kennard, C. H. L.
2-Carboxypyridinium Chloride Monohydrate
Acta Crystallographica Section C
1,995
51
7
1425
1427
10.1107/S0108270195000175
0.71073
MoKα
null
0.039
null
null
0.095
null
null
null
null
1.01
1.01
null
null
null
has coordinates
Smith, G.; Byriel, K. A.; Kennard, C. H. L. 2-Carboxypyridinium Chloride Monohydrate Acta Crystallographica Section C 51(7) (1995) 1425-1427
301,791
2025-08-18
23:15:24
#------------------------------------------------------------------------------ #$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/2/00/36/2003637.cif $ #-------------------------------------------------------------------...
2,003,638
11.356
0.002
5.358
0.001
14.122
0.002
90
null
105.94
null
90
null
826.2
0.2
296
null
null
null
null
null
null
null
evaporation from water
3
P 1 21/c 1
-P 2ybc
14
- C9 H10 O3 -
- C9 H10 O3 -
- C36 H40 O12 -
4
1
AS1155
Okabe, N.; Suga, T.
3-(<i>p</i>-Hydroxyphenyl)propionic Acid
Acta Crystallographica Section C
1,995
51
7
1324
1325
10.1107/S0108270194014964
0.71069
MoKα
null
0.05
null
null
0.063
null
null
null
null
2.44
2.44
null
null
null
has coordinates
Okabe, N.; Suga, T. 3-(<i>p</i>-Hydroxyphenyl)propionic Acid Acta Crystallographica Section C 51(7) (1995) 1324-1325
301,791
2025-08-18
23:15:24
#------------------------------------------------------------------------------ #$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/2/00/36/2003638.cif $ #-------------------------------------------------------------------...
2,003,639
14.298
0.003
14.4
0.003
27.187
0.003
90
null
91.54
0.01
90
null
5,595.5
1.8
296
1
null
null
null
null
null
null
4
C 1 2/c 1
-C 2yc
null
- C17 H14 N2 O2 -
- C17 H14 N2 O2 -
- C272 H224 N32 O32 -
16
2
BK0003
Akama, Y.; Shiro, M.; Ueda, T.; Kajitani, M.
Keto and Enol Tautomers of 4-Benzoyl-3-methyl-1-phenyl-5(2<i>H</i>)-pyrazolone
Acta Crystallographica Section C
1,995
51
7
1310
1314
10.1107/S0108270194007389
1.54178
CuKα
null
0.038
null
null
0.056
null
null
null
null
1.21
1.21
null
null
null
has coordinates
Akama, Y.; Shiro, M.; Ueda, T.; Kajitani, M. Keto and Enol Tautomers of 4-Benzoyl-3-methyl-1-phenyl-5(2<i>H</i>)-pyrazolone Acta Crystallographica Section C 51(7) (1995) 1310-1314
301,791
2025-08-18
23:15:24
#------------------------------------------------------------------------------ #$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/2/00/36/2003639.cif $ #-------------------------------------------------------------------...
4,322,367
19.056
0.003
11.248
0.001
16.188
0.003
90
null
90
null
90
null
3,469.8
0.9
294.2
null
294
null
null
null
null
null
7
I b a 2
I 2 -2c
45
- C25 H41 Cl N6 O4 Pd2 S4 -
- C25 H41 Cl N6 O4 Pd2 S4 -
- C100 H164 Cl4 N24 O16 Pd8 S16 -
4
0.5
Sudeep Bhattacharyya; Timothy J. R. Weakley; Muktimoy Chaudhury
Palladium(II)-Induced Activation of Carbon-Nitrogen Single Bond of Coordinated N4S Ligand. Characterization of Product with Modified Ligand Structure: Kinetics versus Thermodynamic Considerations
Inorganic Chemistry
1,999
38
5453
5456
10.1021/ic9813720
0.71073
MoKα
null
0.033
null
null
0.0377
null
null
null
null
1.99
1.99
null
null
null
has coordinates
Sudeep Bhattacharyya; Timothy J. R. Weakley; Muktimoy Chaudhury Palladium(II)-Induced Activation of Carbon-Nitrogen Single Bond of Coordinated N4S Ligand. Characterization of Product with Modified Ligand Structure: Kinetics versus Thermodynamic Considerations Inorganic Chemistry 38 (1999) 5453-5456
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/4/32/23/4322367.cif $ #-------------------------------------------------------------------...
2,003,640
11.44
0.004
9.11
0.007
13.51
0.009
90
null
90.8
0.3
90
null
1,407.9
1.5
293
null
null
null
null
null
null
null
4
P 1 21/a 1
-P 2yab
null
- C17 H14 N2 O2 -
- C17 H14 N2 O2 -
- C68 H56 N8 O8 -
4
1
BK0003
Akama, Y.; Shiro, M.; Ueda, T.; Kajitani, M.
Keto and Enol Tautomers of 4-Benzoyl-3-methyl-1-phenyl-5(2<i>H</i>)-pyrazolone
Acta Crystallographica Section C
1,995
51
7
1310
1314
10.1107/S0108270194007389
0.7107
MoKα
null
0.063
null
null
0.077
null
null
null
null
2.19
2.19
null
null
null
has coordinates
Akama, Y.; Shiro, M.; Ueda, T.; Kajitani, M. Keto and Enol Tautomers of 4-Benzoyl-3-methyl-1-phenyl-5(2<i>H</i>)-pyrazolone Acta Crystallographica Section C 51(7) (1995) 1310-1314
301,791
2025-08-18
23:15:24
#------------------------------------------------------------------------------ #$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/2/00/36/2003640.cif $ #-------------------------------------------------------------------...
2,003,641
10.33
0.001
24.092
0.001
21.543
0.001
90
null
97.89
0.01
90
null
5,310.7
0.6
127
2
127
2
null
null
null
null
6
P 1 21/n 1
-P 2yn
14
Diaquo-5,10,15,20-(Tetraphenylporphinato)iron(III) Perchlorate
- C44 H32 Cl Fe N4 O6 -
- C44 H32 Cl Fe N4 O6 -
- C264 H192 Cl6 Fe6 N24 O36 -
6
1.5
BK1091
Cheng, B.; Scheidt, W. R.
Diaqua(5,10,15,20-tetraphenylporphinato)iron(III) Perchlorate, [Fe(C~44~H~28~N~4~)(H~2~O)~2~]ClO~4~
Acta Crystallographica Section C
1,995
51
7
1271
1275
10.1107/S0108270195001028
0.71073
MoKα
0.1133
0.0684
null
0.1939
0.1657
null
null
null
1.057
1.156
1.156
null
null
null
has coordinates
Cheng, B.; Scheidt, W. R. Diaqua(5,10,15,20-tetraphenylporphinato)iron(III) Perchlorate, [Fe(C~44~H~28~N~4~)(H~2~O)~2~]ClO~4~ Acta Crystallographica Section C 51(7) (1995) 1271-1275
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/2/00/36/2003641.cif $ #-------------------------------------------------------------------...
2,003,642
32.456
0.005
5.674
0.002
3.995
0.002
90
null
90
null
90
null
735.7
0.5
296
null
null
null
null
null
null
null
3
P n n 2
P 2 -2n
34
- Nb5 O17 Sr5 -
- Nb5 O17 Sr5 -
- Nb10 O34 Sr10 -
2
0.5
BR1096
Schmalle, H. W.; Williams, T.; Reller, A.; Lichtenberg, F.; Widmer, D.; Bednorz, J. G.
A Novel Semiconducting Perovskite-Related Phase: Sr~5~Nb~5~O~17~
Acta Crystallographica Section C
1,995
51
7
1243
1246
10.1107/S0108270195000977
0.71073
MoKα
null
0.0387
null
null
0.0449
null
null
null
null
3.396
3.396
null
null
null
has coordinates
Schmalle, H. W.; Williams, T.; Reller, A.; Lichtenberg, F.; Widmer, D.; Bednorz, J. G. A Novel Semiconducting Perovskite-Related Phase: Sr~5~Nb~5~O~17~ Acta Crystallographica Section C 51(7) (1995) 1243-1246
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/2/00/36/2003642.cif $ #-------------------------------------------------------------------...
2,003,643
6.7214
0.0006
13.8558
0.0007
7.2764
0.0004
90
null
105.927
0.006
90
null
651.64
0.08
293
2
293
2
null
null
null
null
5
P 1 21/m 1
-P 2yb
11
- Al4 F9 K3 O8 P2 -
- Al4 F9 K3 O8 P2 -
- Al8 F18 K6 O16 P4 -
2
0.5
BR1099
Massa, W.; Yakubovich, O. V.; Karimova, O. V.; Dem'yanets, L. N.
A New Type of Mixed Anionic Framework in the Structure of K~3~[Al~4~F~9~(PO~4~)~2~]
Acta Crystallographica Section C
1,995
51
7
1246
1249
10.1107/S0108270195000576
1.54178
CuKα
0.0381
0.0333
null
0.0912
0.0879
null
null
null
1.03
1.056
1.056
null
null
null
has coordinates
Massa, W.; Yakubovich, O. V.; Karimova, O. V.; Dem'yanets, L. N. A New Type of Mixed Anionic Framework in the Structure of K~3~[Al~4~F~9~(PO~4~)~2~] Acta Crystallographica Section C 51(7) (1995) 1246-1249
176,432
2020-10-21
18:00:00
#------------------------------------------------------------------------------ #$Date: 2016-02-14 06:40:26 +0200 (Sun, 14 Feb 2016) $ #$Revision: 176432 $ #$URL: file:///home/coder/svn-repositories/_RELOADED_COD/cod-reloaded/cif/2/00/36/2003643.cif $ #-------------------------------------------------------------------...
2,003,644
7.479
0.002
12.221
0.005
19.306
0.006
90
null
90
null
90
null
1,764.6
1
295
null
null
null
null
null
null
null
7
P 21 21 21
P 2ac 2ab
19
- C10 H25 F2 N2 O5 P S -
- C10 H25 F2 N2 O5 P S -
- C40 H100 F8 N8 O20 P4 S4 -
4
1
CR1095
Baenziger, N. C.; Burton, D. J.; Modak, A. S.
Triethylammonium Isopropyl [(Aminosulfonyl)(difluoro)methyl]phosphonate
Acta Crystallographica Section C
1,995
51
7
1355
1356
10.1107/S0108270194012254
0.71073
MoKα
null
0.034
null
null
0.056
null
null
null
null
1.17
1.17
null
null
null
has coordinates
Baenziger, N. C.; Burton, D. J.; Modak, A. S. Triethylammonium Isopropyl [(Aminosulfonyl)(difluoro)methyl]phosphonate Acta Crystallographica Section C 51(7) (1995) 1355-1356
301,791
2025-08-18
23:15:24
#------------------------------------------------------------------------------ #$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/2/00/36/2003644.cif $ #-------------------------------------------------------------------...
2,003,645
7.37
0.001
10.919
0.002
9.887
0.001
90
null
108.45
0.01
90
null
754.74
0.19
293
null
null
null
null
null
null
null
recrystallization from ethanol
5
P 1 21/c 1
-P 2ybc
14
- C6 H4 Br N O3 -
- C6 H4 Br N O3 -
- C24 H16 Br4 N4 O12 -
4
1
CR1140
Pomés, R.; Duque, J.; Novoa, H.; Castañedo, N.; Toscano, A.
5-Bromo-2-(2-nitroethenyl)furan
Acta Crystallographica Section C
1,995
51
7
1368
1369
10.1107/S0108270194012394
0.71069
MoKα
null
0.05
null
null
0.06
null
null
null
null
1.61
1.61
null
null
null
has coordinates
Pomés, R.; Duque, J.; Novoa, H.; Castañedo, N.; Toscano, A. 5-Bromo-2-(2-nitroethenyl)furan Acta Crystallographica Section C 51(7) (1995) 1368-1369
301,791
2025-08-18
23:15:24
#------------------------------------------------------------------------------ #$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/2/00/36/2003645.cif $ #-------------------------------------------------------------------...
2,003,646
9.248
0.002
16.521
0.004
10.359
0.002
90
null
109.31
0.01
90
null
1,493.7
0.6
294
null
null
null
null
null
null
null
4
P 1 21/a 1
-P 2yab
14
- C15 H20 N2 O3 -
- C15 H20 N2 O3 -
- C60 H80 N8 O12 -
4
1
CR1149
Wireko, F. C.; Matthews, R. S.; Thoman, S. M.; Hennes, D. H.; Sickman, L. H.
An Unexpected Intermediate in the Synthesis of Substituted Pyridones
Acta Crystallographica Section C
1,995
51
7
1404
1407
10.1107/S0108270195001259
1.5406
CuKα
null
0.052
null
null
0.035
null
null
null
null
2.43
2.43
null
null
null
has coordinates
Wireko, F. C.; Matthews, R. S.; Thoman, S. M.; Hennes, D. H.; Sickman, L. H. An Unexpected Intermediate in the Synthesis of Substituted Pyridones Acta Crystallographica Section C 51(7) (1995) 1404-1407
301,791
2025-08-18
23:15:24
#------------------------------------------------------------------------------ #$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/2/00/36/2003646.cif $ #-------------------------------------------------------------------...
2,003,647
7.986
0.001
12.798
0.003
5.481
0.001
94.08
0.02
95.45
0.01
95.81
0.01
552.94
0.18
296
null
null
null
null
null
null
null
6
P -1
-P 1
2
- C6 H10 N Na O9 S -
- C6 H10 N Na O9 S -
- C12 H20 N2 Na2 O18 S2 -
2
1
CR1155
Squattrito, P. J.
Sodium 4-Hydroxy-3-nitrobenzenesulfonate Trihydrate
Acta Crystallographica Section C
1,995
51
7
1282
1284
10.1107/S0108270195000849
0.71073
MoKα
null
0.031
null
null
0.032
null
null
null
null
1.74
1.74
null
null
null
has coordinates
Squattrito, P. J. Sodium 4-Hydroxy-3-nitrobenzenesulfonate Trihydrate Acta Crystallographica Section C 51(7) (1995) 1282-1284
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/2/00/36/2003647.cif $ #-------------------------------------------------------------------...
2,003,648
5.502
0.001
15.384
0.001
9.918
0.002
90
null
93.43
0.02
90
null
838
0.2
295
2
295
2
null
null
null
null
4
P 1 21 1
P 2yb
4
2',3'-dideoxy-3'-C-2'-N-[N(R)-methyl-5-(R)-ethoxycarbonyl-1,2-isoxazolidine] ribothymidine
- C15 H21 N3 O7 -
- C15 H21 N3 O7 -
- C30 H42 N6 O14 -
2
1
CR1159
Burkhart, B. M.; Papchikhin, A.; Chattopadhyaya, J.; Sundaralingam, M.
2',3'-Dideoxy-3'-<i>C</i>,2'-<i>N</i>-[(3<i>R</i>,5<i>R</i>)-5-ethoxycarbonyl-2-methyl-1,2-isoxazolidine]ribothymidine
Acta Crystallographica Section C
1,995
51
7
1462
1464
10.1107/S0108270194014332
0.7107
MoKα
0.0762
0.0369
null
0.1311
0.0834
null
null
null
1.05
1.091
1.091
null
null
null
has coordinates,has disorder
Burkhart, B. M.; Papchikhin, A.; Chattopadhyaya, J.; Sundaralingam, M. 2',3'-Dideoxy-3'-<i>C</i>,2'-<i>N</i>-[(3<i>R</i>,5<i>R</i>)-5-ethoxycarbonyl-2-methyl-1,2-isoxazolidine]ribothymidine Acta Crystallographica Section C 51(7) (1995) 1462-1464
301,791
2025-08-18
23:15:24
#------------------------------------------------------------------------------ #$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/2/00/36/2003648.cif $ #-------------------------------------------------------------------...
2,003,649
15.134
0.002
7.403
0.002
17.27
0.002
90
null
105.25
0.01
90
null
1,866.7
0.6
293
null
293
null
null
null
null
null
synthesized by authors
3
P 1 21 1
P 2yb
4
cholesteryl-4-octeneoxybenzoate
cholesteryl-4-octeneoxybenzoate
- C42 H64 O3 -
- C42 H64 O3 -
- C84 H128 O6 -
2
1
CR1163
Chabinyc, M. L.; Fratini, A. V.; Socci, E. P.; Farmer, B. L.; Bunning, T. J.; Adams, W. W.
Cholesteryl 4-(8-Octenyloxy)benzoate
Acta Crystallographica Section C
1,995
51
7
1444
1447
10.1107/S010827019500093X
0.71073
MoKα
0.163
0.059
null
0.079
0.05
null
null
null
1.492
1.549
1.549
null
null
null
has coordinates,has Fobs
Chabinyc, M. L.; Fratini, A. V.; Socci, E. P.; Farmer, B. L.; Bunning, T. J.; Adams, W. W. Cholesteryl 4-(8-Octenyloxy)benzoate Acta Crystallographica Section C 51(7) (1995) 1444-1447
176,432
2020-10-21
18:00:00
#------------------------------------------------------------------------------ #$Date: 2016-02-14 06:40:26 +0200 (Sun, 14 Feb 2016) $ #$Revision: 176432 $ #$URL: file:///home/coder/svn-repositories/_RELOADED_COD/cod-reloaded/cif/2/00/36/2003649.cif $ #-------------------------------------------------------------------...
2,003,650
8.2796
0.0009
8.644
0.001
11.336
0.001
97.84
0.01
104.36
0.01
115.03
0.01
684.7
0.16
293
null
null
null
null
null
null
null
see text
5
P -1
-P 1
2
- C14 H12 Cl2 N2 O -
- C14 H12 Cl2 N2 O -
- C28 H24 Cl4 N4 O2 -
2
1
CR1173
Mague, J. T.; De, D.; Krogstad, D. J.
An Intermediate for Chloroquine Analogs: (<i>E</i>)-2-(4,7-Dichloro-2-quinolinyl)-3-(dimethylamino)-2-propenal
Acta Crystallographica Section C
1,995
51
7
1423
1425
10.1107/S0108270195000151
0.71073
MoKα
null
0.038
null
null
0.049
null
null
null
null
1.56
1.56
null
null
null
has coordinates
Mague, J. T.; De, D.; Krogstad, D. J. An Intermediate for Chloroquine Analogs: (<i>E</i>)-2-(4,7-Dichloro-2-quinolinyl)-3-(dimethylamino)-2-propenal Acta Crystallographica Section C 51(7) (1995) 1423-1425
301,791
2025-08-18
23:15:24
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4,322,366
8.8449
0.0005
11.2219
0.0008
14.466
0.001
96.818
0.007
107.694
0.007
104.52
0.006
1,294.32
0.17
293.2
null
293
null
null
null
null
null
7
P -1
-P 1
2
- C21 H31 Cl N6 O4 Pd S2 -
- C21 H31 Cl N6 O4 Pd S2 -
- C42 H62 Cl2 N12 O8 Pd2 S4 -
2
1
Sudeep Bhattacharyya; Timothy J. R. Weakley; Muktimoy Chaudhury
Palladium(II)-Induced Activation of Carbon-Nitrogen Single Bond of Coordinated N4S Ligand. Characterization of Product with Modified Ligand Structure: Kinetics versus Thermodynamic Considerations
Inorganic Chemistry
1,999
38
5453
5456
10.1021/ic9813720
0.71073
MoKα
null
0.029
null
null
0.038
null
null
null
null
2.38
2.38
null
null
null
has coordinates
Sudeep Bhattacharyya; Timothy J. R. Weakley; Muktimoy Chaudhury Palladium(II)-Induced Activation of Carbon-Nitrogen Single Bond of Coordinated N4S Ligand. Characterization of Product with Modified Ligand Structure: Kinetics versus Thermodynamic Considerations Inorganic Chemistry 38 (1999) 5453-5456
176,467
2020-10-21
18:00:00
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2,003,651
9.418
0.006
14.31
0.01
6.303
0.007
90
null
92.45
0.07
90
null
848.7
1.2
295
null
null
null
null
null
null
null
6
P 1 21/c 1
-P 2ybc
14
- C6 H9 F N O3 P -
- C6 H9 F N O3 P -
- C24 H36 F4 N4 O12 P4 -
4
1
DU1082
Khaoulani Idrissi, A.; Rafiq, M.; Gougeon, P.; Guerin, R.
Anilinium Hydrogen Monofluorophosphate, C~6~H~8~N^+^.HPO~3~F^{-^}
Acta Crystallographica Section C
1,995
51
7
1359
1361
10.1107/S010827019401214X
0.71073
MoKα
null
0.046
null
null
0.049
null
null
null
null
1.165
1.165
null
null
null
has coordinates
Khaoulani Idrissi, A.; Rafiq, M.; Gougeon, P.; Guerin, R. Anilinium Hydrogen Monofluorophosphate, C~6~H~8~N^+^.HPO~3~F^{-^} Acta Crystallographica Section C 51(7) (1995) 1359-1361
301,791
2025-08-18
23:15:24
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2,003,652
4.904
0.001
4.904
0.001
26.186
0.01
90
null
90
null
120
null
545.4
0.3
293
2
null
null
null
null
null
null
2
R -3 m :H
-R 3 2"
166
- Co6.3 Nb6.7 -
- Co6.3 Nb6.7 -
- Co18.9 Nb20.1 -
3
0.083333
DU1106
Wagner, V.; Conrad, M.; Harbrecht, B.
The μ-Phase of Co~6.3~Nb~6.7~
Acta Crystallographica Section C
1,995
51
7
1241
1243
10.1107/S0108270195000552
0.71069
MoKα
null
0.0286
null
0.096
0.081
null
null
null
null
1.076
1.076
null
null
null
has coordinates
Wagner, V.; Conrad, M.; Harbrecht, B. The μ-Phase of Co~6.3~Nb~6.7~ Acta Crystallographica Section C 51(7) (1995) 1241-1243
176,342
2020-10-21
18:00:00
#------------------------------------------------------------------------------ #$Date: 2016-02-11 00:55:37 +0200 (Thu, 11 Feb 2016) $ #$Revision: 176342 $ #$URL: file:///home/coder/svn-repositories/_RELOADED_COD/cod-reloaded/cif/2/00/36/2003652.cif $ #-------------------------------------------------------------------...
2,003,653
7.2169
0.0005
7.2821
0.0006
11.5524
0.0002
82.154
0.01
87.096
0.01
64.494
0.01
542.8
0.08
293
2
293
2
null
null
null
null
synthèse
5
P -1
-P 1
2
Ortho-phénylènediammonium Dihydrogénodiphosphate
- C6 H12 N2 O7 P2 -
- C6 H12 N2 O7 P2 -
- C12 H24 N4 O14 P4 -
2
1
DU1108
Soumhi, E. H.; Jouini, T.
<i>o</i>-Phénylènediammonium Dihydrogénodiphosphate
Acta Crystallographica Section C
1,995
51
7
1457
1459
10.1107/S0108270195000230
0.71069
MoKα
0.031
0.028
null
0.0808
0.0801
null
null
null
2.817
2.925
2.925
null
null
null
has coordinates
Soumhi, E. H.; Jouini, T. <i>o</i>-Phénylènediammonium Dihydrogénodiphosphate Acta Crystallographica Section C 51(7) (1995) 1457-1459
301,791
2025-08-18
23:15:24
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2,003,654
23.512
0.004
23.861
0.004
22.417
0.004
90
null
103.16
0.01
90
null
12,246
4
120
null
null
null
null
null
null
null
Mn(O~2~CCH~3~)~2~.4H~2~O + C~5~H~5~N + 3,5-(NO~2~)~2~-C~6~H~3~CO~2~H + ^n^Bu~4~MnO~4~ in C~2~H~5~OH; crystals from acetone/ether
5
C 1 2/c 1
-C 2yc
15
- C100 H84 Mn6 N22 O68 -
- C104 H78 Mn6 N22 O67 -
- C416 H312 Mn24 N88 O268 -
4
0.5
FG1000
Halcrow, M. A.; Streib, W. E.; Folting, K.; Christou, G.
[Mn~6~O~2~{O~2~C-3,5-(NO~2~)~2~-C~6~H~3~}~10~(C~5~H~5~N)~2~{(CH~3~)~2~CO}~2~].2(CH~3~)~2~CO.2(C~2~H~5~)~2~O and [Mn~6~O~2~(O~2~CC~6~H~5~)~10~(NCCH~3~)~4~]
Acta Crystallographica Section C
1,995
51
7
1263
1267
10.1107/S0108270194013764
0.71069
MoKα
null
0.0685
null
null
0.0666
null
null
null
null
1.415
1.415
null
null
null
has coordinates
Halcrow, M. A.; Streib, W. E.; Folting, K.; Christou, G. [Mn~6~O~2~{O~2~C-3,5-(NO~2~)~2~-C~6~H~3~}~10~(C~5~H~5~N)~2~{(CH~3~)~2~CO}~2~].2(CH~3~)~2~CO.2(C~2~H~5~)~2~O and [Mn~6~O~2~(O~2~CC~6~H~5~)~10~(NCCH~3~)~4~] Acta Crystallographica Section C 51(7) (1995) 1263-1267
176,759
2020-10-21
18:00:00
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2,003,655
18.441
0.003
24.561
0.004
17.497
0.003
90
null
90
null
90
null
7,925
2
103
null
null
null
null
null
null
null
Ph~4~P[Mn~4~O~2~(O~2~CPh)~9~(OH~2~)] + Na^+^(2-Me~2~N-C~6~H~4~CO~2~^-^) in MeCN at 263 K
5
P b n a
-P 2ac 2b
60
- C78 H62 Mn6 N4 O22 -
- C78 H62 Mn6 N4 O22 -
- C312 H248 Mn24 N16 O88 -
4
0.5
FG1000
Halcrow, M. A.; Streib, W. E.; Folting, K.; Christou, G.
[Mn~6~O~2~{O~2~C-3,5-(NO~2~)~2~-C~6~H~3~}~10~(C~5~H~5~N)~2~{(CH~3~)~2~CO}~2~].2(CH~3~)~2~CO.2(C~2~H~5~)~2~O and [Mn~6~O~2~(O~2~CC~6~H~5~)~10~(NCCH~3~)~4~]
Acta Crystallographica Section C
1,995
51
7
1263
1267
10.1107/S0108270194013764
0.71069
MoKα
null
0.075
null
null
0.064
null
null
null
null
1.072
1.072
null
null
null
has coordinates
Halcrow, M. A.; Streib, W. E.; Folting, K.; Christou, G. [Mn~6~O~2~{O~2~C-3,5-(NO~2~)~2~-C~6~H~3~}~10~(C~5~H~5~N)~2~{(CH~3~)~2~CO}~2~].2(CH~3~)~2~CO.2(C~2~H~5~)~2~O and [Mn~6~O~2~(O~2~CC~6~H~5~)~10~(NCCH~3~)~4~] Acta Crystallographica Section C 51(7) (1995) 1263-1267
301,791
2025-08-18
23:15:24
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2,003,656
11.968
0.002
7.34
0.001
13.539
0.002
90
null
99.77
0.01
90
null
1,172.1
0.3
195
null
null
null
null
null
null
null
4
P 1 21/c 1
-P 2ybc
14
- C24 H38 O2 S2 -
- C24 H38 O2 S2 -
- C48 H76 O4 S4 -
2
0.5
FG1013
Pelletier, M.; Brisse, F.; Cloutier, R.; Leclerc, M.
3,3'-Bis(octyloxy)-2,2'-bithiophene at 195 K
Acta Crystallographica Section C
1,995
51
7
1394
1397
10.1107/S0108270195001090
1.54184
CuKα
null
0.036
null
null
0.046
null
null
null
null
1.749
1.749
null
null
null
has coordinates
Pelletier, M.; Brisse, F.; Cloutier, R.; Leclerc, M. 3,3'-Bis(octyloxy)-2,2'-bithiophene at 195 K Acta Crystallographica Section C 51(7) (1995) 1394-1397
301,791
2025-08-18
23:15:24
#------------------------------------------------------------------------------ #$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/2/00/36/2003656.cif $ #-------------------------------------------------------------------...
2,003,657
10.345
0.001
17.316
0.002
15.94
0.002
90
null
90
null
90
null
2,855.4
0.6
293
2
293
2
null
null
null
null
5
P n m a
-P 2ac 2n
62
Bis(5,5-diphenylhydantoinato)diamminezinc(II) Hemihydrate
- C30 H29 N6 O4.5 Zn -
- C30 H29 N6 O4.5 Zn -
- C120 H116 N24 O18 Zn4 -
4
0.5
FG1044
Roszak, A. W.; Milne, P.; Weaver, D. F.
Diamminebis(5,5-diphenylhydantoinato)zinc(II) Hemihydrate
Acta Crystallographica Section C
1,995
51
7
1297
1300
10.1107/S0108270195000291
0.71069
MoKα
0.0577
0.0423
null
0.1373
0.1199
null
null
null
1.092
1.092
1.092
null
null
null
has coordinates,has disorder
Roszak, A. W.; Milne, P.; Weaver, D. F. Diamminebis(5,5-diphenylhydantoinato)zinc(II) Hemihydrate Acta Crystallographica Section C 51(7) (1995) 1297-1300
301,791
2025-08-18
23:15:24
#------------------------------------------------------------------------------ #$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/2/00/36/2003657.cif $ #-------------------------------------------------------------------...
2,003,658
11.793
0.003
23.267
0.003
12.713
0.001
90
null
111.48
0.02
90
null
3,246
1.1
298
2
298
2
null
null
null
null
5
P 1 21/n 1
-P 2yn
14
- C37 H33 As2 Cl Pd -
- C37 H33 As2 Cl Pd -
- C148 H132 As8 Cl4 Pd4 -
4
1
FG1047
Rath, N. P.; Ladipo, F. T.; Anderson, G. K.
<i>trans</i>-Chloro(methyl)bis(triphenylarsine)palladium(II)
Acta Crystallographica Section C
1,995
51
7
1289
1290
10.1107/S010827019401485X
0.71073
MoKα
0.0812
0.0365
null
0.0807
0.0723
null
null
null
0.815
0.996
0.996
null
null
null
has coordinates
Rath, N. P.; Ladipo, F. T.; Anderson, G. K. <i>trans</i>-Chloro(methyl)bis(triphenylarsine)palladium(II) Acta Crystallographica Section C 51(7) (1995) 1289-1290
176,759
2020-10-21
18:00:00
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2,003,659
7.136
0.001
7.221
0.001
24.405
0.003
90
null
90
null
90
null
1,257.6
0.3
296
null
296
null
null
null
null
null
5
P 21 21 21
P 2ac 2ab
19
(2S,4R,5R)-(-)-3 Isopropyl-4-methyl-5-phenyl-1,2,3-oxathiazolidine 2-Oxide
- C12 H17 N O2 S -
- C12 H17 N O2 S -
- C48 H68 N4 O8 S4 -
4
1
FG1054
Robinson, P. D.; Hua, D. H.; Chen, J.; Lagneau, N.
(2<i>S</i>,4<i>R</i>,5<i>R</i>)-({-})-3-Isopropyl-4-methyl-5-phenyl-1,2,3-oxathiazolidine 2-Oxide
Acta Crystallographica Section C
1,995
51
7
1372
1374
10.1107/S010827019500076X
0.71069
MoKα
null
0.031
null
null
0.036
null
null
null
null
1.54
1.54
null
null
null
has coordinates
Robinson, P. D.; Hua, D. H.; Chen, J.; Lagneau, N. (2<i>S</i>,4<i>R</i>,5<i>R</i>)-({-})-3-Isopropyl-4-methyl-5-phenyl-1,2,3-oxathiazolidine 2-Oxide Acta Crystallographica Section C 51(7) (1995) 1372-1374
301,791
2025-08-18
23:15:24
#------------------------------------------------------------------------------ #$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/2/00/36/2003659.cif $ #-------------------------------------------------------------------...
2,003,660
12.33
0.03
8.26
0.04
14.25
0.03
90
null
115
0.5
90
null
1,315
9
296
null
296
null
null
null
null
null
4
P 1 21/n 1
-P 2yn
14
2,2-dimethyl-9-phenyl-1,2H-dihydropurine-6-carboxamide
- C14 H15 N5 O -
- C14 H15 N5 O -
- C56 H60 N20 O4 -
4
1
HA1128
Beagley, B.; Booth, B. L.; Eastwood, P. R.; Kieger, S.; Pritchard, R. G.; Alves, M. J.; Carvalho, A.; Proença, M. F. J. R. P.
A Tautomeric Pair of 2,2-Dimethyl-6-carbamoyl-9-phenyldihydropurines
Acta Crystallographica Section C
1,995
51
7
1467
1470
10.1107/S0108270194009558
0.71069
MoKα
null
0.049
null
null
0.052
null
null
null
null
1.49
1.49
null
null
null
has coordinates
Beagley, B.; Booth, B. L.; Eastwood, P. R.; Kieger, S.; Pritchard, R. G.; Alves, M. J.; Carvalho, A.; Proença, M. F. J. R. P. A Tautomeric Pair of 2,2-Dimethyl-6-carbamoyl-9-phenyldihydropurines Acta Crystallographica Section C 51(7) (1995) 1467-1470
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/2/00/36/2003660.cif $ #-------------------------------------------------------------------...