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
2,009,723
11.864
0.001
7.434
0.001
12.216
0.002
90
null
110.05
0.01
90
null
1,012.1
0.2
293
null
293
null
null
null
null
null
4
P 1 21/c 1
-P 2ybc
14
2-(p-aminophenyl)-1-methyl-5-nitroimidazole
- C10 H10 N4 O2 -
- C10 H10 N4 O2 -
- C40 H40 N16 O8 -
4
1
NA1071
Olszak, Tomasz A.; Peeters, O.M.; Blaton, N.M.; De Ranter, C.J.
1-Methyl-5-nitro-2-phenylimidazole and 2-(<i>p</i>-aminophenyl)-1-methyl-5-nitroimidazole
Acta Crystallographica Section C
1,994
50
5
761
763
10.1107/S0108270193012375
0.71069
MoKα
null
0.037
null
null
0.04
null
null
null
null
0.9902
0.9902
null
null
null
has coordinates
Olszak, Tomasz A.; Peeters, O.M.; Blaton, N.M.; De Ranter, C.J. 1-Methyl-5-nitro-2-phenylimidazole and 2-(<i>p</i>-aminophenyl)-1-methyl-5-nitroimidazole Acta Crystallographica Section C 50(5) (1994) 761-763
301,791
2025-08-18
23:15:34
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2,009,724
8.412
0.002
8.412
0.002
8.412
0.002
90
null
90
null
90
null
595.2
0.2
295
2
null
null
null
null
null
null
3
I -4 3 m
I -4 2 3
null
- Li3 Nb O4 -
- Li3 Nb O4 -
- Li24 Nb8 O32 -
8
0.166667
OH1036
Ukei, K.; Suzuki, H.; Shishido, T.; Fukuda, T.
Li~3~NbO~4~
Acta Crystallographica Section C
1,994
50
5
655
656
10.1107/S010827019300890X
0.71073
MoKα
null
0.031
null
null
0.045
null
null
null
null
9.85
9.85
null
null
null
has coordinates
Ukei, K.; Suzuki, H.; Shishido, T.; Fukuda, T. Li~3~NbO~4~ Acta Crystallographica Section C 50(5) (1994) 655-656
301,791
2025-08-18
23:15:34
#------------------------------------------------------------------------------ #$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/2/00/97/2009724.cif $ #-------------------------------------------------------------------...
2,009,725
8.246
0.006
11.016
0.003
14.74
0.004
90
null
96.84
0.04
90
null
1,329.4
1.1
295
null
null
null
null
null
null
null
4
P 1 21/a 1
-P 2yab
null
- C14 H14 N4 O2 -
- C14 H14 N4 O2 -
- C56 H56 N16 O8 -
4
1
OH1051
Hirota, T.; Sasaki, K.; Yamamoto, H.; Mori, K.; Kashino, S.
Anomalous products formed from <i>N</i>-(5,6-dihydrobenzo[<i>h</i>]quinazolin-4-yl)amidines and hydroxylamine hydrochloride
Acta Crystallographica Section C
1,994
50
5
807
810
10.1107/S0108270193010583
0.71073
MoKα
null
0.041
null
null
0.031
null
null
null
null
1.43
1.43
null
null
null
has coordinates
Hirota, T.; Sasaki, K.; Yamamoto, H.; Mori, K.; Kashino, S. Anomalous products formed from <i>N</i>-(5,6-dihydrobenzo[<i>h</i>]quinazolin-4-yl)amidines and hydroxylamine hydrochloride Acta Crystallographica Section C 50(5) (1994) 807-810
301,791
2025-08-18
23:15:34
#------------------------------------------------------------------------------ #$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/2/00/97/2009725.cif $ #-------------------------------------------------------------------...
2,009,726
11.661
0.002
9.41
0.002
16.224
0.003
90
null
103.42
0.01
90
null
1,731.6
0.6
298
null
null
null
null
null
null
null
5
P 1 21/n 1
-P 2yn
14
- C19 H15 Cl N4 O2 -
- C19 H15 Cl N4 O2 -
- C76 H60 Cl4 N16 O8 -
4
1
OH1051
Hirota, T.; Sasaki, K.; Yamamoto, H.; Mori, K.; Kashino, S.
Anomalous products formed from <i>N</i>-(5,6-dihydrobenzo[<i>h</i>]quinazolin-4-yl)amidines and hydroxylamine hydrochloride
Acta Crystallographica Section C
1,994
50
5
807
810
10.1107/S0108270193010583
0.71073
MoKα
null
0.057
null
null
0.037
null
null
null
null
1.5
1.5
null
null
null
has coordinates
Hirota, T.; Sasaki, K.; Yamamoto, H.; Mori, K.; Kashino, S. Anomalous products formed from <i>N</i>-(5,6-dihydrobenzo[<i>h</i>]quinazolin-4-yl)amidines and hydroxylamine hydrochloride Acta Crystallographica Section C 50(5) (1994) 807-810
301,791
2025-08-18
23:15:34
#------------------------------------------------------------------------------ #$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/2/00/97/2009726.cif $ #-------------------------------------------------------------------...
4,321,787
9.638
0.005
9.715
0.005
7.237
0.004
90.96
0.01
105.72
0.01
119.74
0.01
557
0.5
298
null
298
null
null
null
null
null
5
P -1
-P 1
2
- C12 H32 Al N5 O16 -
- C12 H31 Al N5 O16 -
- C12 H31 Al N5 O16 -
1
0.5
M. Matzapetakis; C. P. Raptopoulou; A. Terzis; A. Lakatos; T. Kiss; A. Salifoglou
Synthesis, Structural Characterization, and Solution Behavior of the First Mononuclear, Aqueous Aluminum Citrate Complex
Inorganic Chemistry
1,999
38
618
619
10.1021/ic9806131
0.71073
MoKα
0.0706
0.0498
null
0.164
0.1477
null
null
null
1.068
1.12
1.12
null
null
null
has coordinates
M. Matzapetakis; C. P. Raptopoulou; A. Terzis; A. Lakatos; T. Kiss; A. Salifoglou Synthesis, Structural Characterization, and Solution Behavior of the First Mononuclear, Aqueous Aluminum Citrate Complex Inorganic Chemistry 38 (1999) 618-619
179,320
2020-10-21
18:00:00
#------------------------------------------------------------------------------ #$Date: 2016-03-23 15:16:56 +0200 (Wed, 23 Mar 2016) $ #$Revision: 179320 $ #$URL: file:///home/coder/svn-repositories/_RELOADED_COD/cod-reloaded/cif/4/32/17/4321787.cif $ #-------------------------------------------------------------------...
2,009,727
4.9635
0.0004
21.935
0.002
6.7924
0.0005
90
null
101.096
0.006
90
null
725.69
0.1
293
2
293
2
null
null
null
null
5
P 1 21 1
P 2yb
4
3-β-D-Ribofuranosyl-6,7-dihydro-9H-thiazolo[3,2-a]purin-9-one
- C12 H16 N4 O6 S -
- C12 H16 N4 O6 S -
- C24 H32 N8 O12 S2 -
2
1
OH1058
Liaw, Yen-Chywan; Wang, Andrew H.-J.; Lin, Guo-Sen; Chern, Ji-Wang
3-β-<small>D</small>-Ribofuranosyl-6,7-dihydro-9<i>H</i>-thiazolo[3,2-<i>a</i>]purin-9-one hydrate
Acta Crystallographica Section C
1,994
50
5
734
736
10.1107/S0108270193011850
1.54178
CuKα
0.0226
0.0222
null
0.06
0.0597
null
null
null
1.078
1.081
1.081
null
null
null
has coordinates
Liaw, Yen-Chywan; Wang, Andrew H.-J.; Lin, Guo-Sen; Chern, Ji-Wang 3-β-<small>D</small>-Ribofuranosyl-6,7-dihydro-9<i>H</i>-thiazolo[3,2-<i>a</i>]purin-9-one hydrate Acta Crystallographica Section C 50(5) (1994) 734-736
301,791
2025-08-18
23:15:34
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2,009,728
11.947
0.002
11.333
0.002
21.114
0.006
109.38
0.02
94.85
0.02
90.33
0.01
2,685.4
1.1
295
1
null
null
null
null
null
null
5
P -1
-P 1
2
- C30 H25 N3 O4 S -
- C30 H25 N3 O4 S -
- C120 H100 N12 O16 S4 -
4
2
PA1044
Theobald, F.; Rodier, N.; Aubry, C.; Ciamala, K.; Nguyen Dinh An
2-Benzoyl-3-(4-methoxyphenyl)-4-methyl-1-phenyl-2,3-dihydro-1<i>H</i>-pyrazolo[4,3-<i>c</i>][1,2]benzothiazine 5,5-dioxide
Acta Crystallographica Section C
1,994
50
5
791
794
10.1107/S0108270193010285
1.5418
CuKα
null
0.047
null
null
0.06
null
null
null
null
1.91
1.91
null
null
null
has coordinates
Theobald, F.; Rodier, N.; Aubry, C.; Ciamala, K.; Nguyen Dinh An 2-Benzoyl-3-(4-methoxyphenyl)-4-methyl-1-phenyl-2,3-dihydro-1<i>H</i>-pyrazolo[4,3-<i>c</i>][1,2]benzothiazine 5,5-dioxide Acta Crystallographica Section C 50(5) (1994) 791-794
301,791
2025-08-18
23:15:34
#------------------------------------------------------------------------------ #$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/2/00/97/2009728.cif $ #-------------------------------------------------------------------...
2,009,729
11.222
0.005
3.917
0.003
26.949
0.007
90
null
98.8
0.4
90
null
1,170.6
1.7
293
2
null
null
null
null
null
null
5
P 1 21/n 1
-P 2yn
14
- C13 H10 Cl N3 O -
- C13 H10 Cl N3 O -
- C52 H40 Cl4 N12 O4 -
4
1
PA1056
Lewanowicz, A.; Baert, F.
2-(2-Hydroxy-5-methylphenyl)-5-chlorobenzotriazole, C~13~H~10~ClN~3~O
Acta Crystallographica Section C
1,994
50
5
801
803
10.1107/S0108270193010303
0.7107
MoKα
null
0.059
null
null
0.059
null
null
null
null
6.25
6.25
null
null
null
has coordinates
Lewanowicz, A.; Baert, F. 2-(2-Hydroxy-5-methylphenyl)-5-chlorobenzotriazole, C~13~H~10~ClN~3~O Acta Crystallographica Section C 50(5) (1994) 801-803
278,324
2022-10-03
14:41:53
#------------------------------------------------------------------------------ #$Date: 2022-10-03 17:40:12 +0300 (Mon, 03 Oct 2022) $ #$Revision: 278324 $ #$URL: file:///home/coder/svn-repositories/_RELOADED_COD/cod-reloaded/cif/2/00/97/2009729.cif $ #-------------------------------------------------------------------...
2,009,730
8.492
0.002
14.067
0.002
12.273
0.002
90
null
98.71
0.02
90
null
1,449.2
0.5
294
null
null
null
null
null
null
null
5
P 1 21/n 1
-P 2yn
14
- C14 H13 N2 P S2 -
- C14 H13 N2 P S2 -
- C56 H52 N8 P4 S8 -
4
1
PA1065
Rodier, N.; Cense, J.-M.; Robert, J.-M.; Robert-Piessard, S.; Courant, J.; Le Baut, G.
3-Sulfure de 3-mercapto-5,7-diméthyl-2-phényl-3<i>H</i>-[1,4,2]diazaphospholo[1,5-<i>a</i>]pyridinium
Acta Crystallographica Section C
1,994
50
5
810
813
10.1107/S0108270193010327
1.5418
CuKα
null
0.046
null
null
0.048
null
null
null
null
1.31
1.31
null
null
null
has coordinates
Rodier, N.; Cense, J.-M.; Robert, J.-M.; Robert-Piessard, S.; Courant, J.; Le Baut, G. 3-Sulfure de 3-mercapto-5,7-diméthyl-2-phényl-3<i>H</i>-[1,4,2]diazaphospholo[1,5-<i>a</i>]pyridinium Acta Crystallographica Section C 50(5) (1994) 810-813
301,791
2025-08-18
23:15:34
#------------------------------------------------------------------------------ #$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/2/00/97/2009730.cif $ #-------------------------------------------------------------------...
4,321,786
13.813
0.003
16.641
0.004
15.722
0.004
90
null
96.73
0.02
90
null
3,589
1.5
220
2
220
2
null
null
null
null
see experimental
7
I 1 2/a 1
-I 2ya
15
- C31 H35 F6 N4 O5 P Pt2 -
- C31 H35 F6 N4 O5 P Pt2 -
- C124 H140 F24 N16 O20 P4 Pt8 -
4
0.5
Dirk Steinborn; Michael Gerisch; Clemens Bruhn; Julian A. Davies
Synthesis and Characterization of Intermolecular Hydrogen Bond Stabilized Acyl(hydroxycarbene)platinum(II) Complexes
Inorganic Chemistry
1,999
38
680
683
10.1021/ic9805170
0.71073
MoKα
0.048
0.0394
null
0.0984
0.0946
null
null
null
1.089
1.146
1.146
null
null
null
has coordinates
Dirk Steinborn; Michael Gerisch; Clemens Bruhn; Julian A. Davies Synthesis and Characterization of Intermolecular Hydrogen Bond Stabilized Acyl(hydroxycarbene)platinum(II) Complexes Inorganic Chemistry 38 (1999) 680-683
179,320
2020-10-21
18:00:00
#------------------------------------------------------------------------------ #$Date: 2016-03-23 15:16:56 +0200 (Wed, 23 Mar 2016) $ #$Revision: 179320 $ #$URL: file:///home/coder/svn-repositories/_RELOADED_COD/cod-reloaded/cif/4/32/17/4321786.cif $ #-------------------------------------------------------------------...
2,009,731
4.038
0.001
12.84
0.003
9.355
0.002
90
null
99.91
0.02
90
null
477.8
0.19
293
null
null
null
null
null
null
null
3
P 1 21/m 1
-P 2yb
11
- C11 H8 N4 -
- C11 H8 N4 -
- C22 H16 N8 -
2
0.5
SE1017
Tillmanns, E.; Schwabenländer, F.; Güssregen, S.; Hünig, S.; Metzenthin, T.
<i>N</i>,<i>N</i>'-Dicyano-4,7-indanquinone diimine
Acta Crystallographica Section C
1,994
50
5
715
717
10.1107/S0108270193008066
0.7093
Mo
null
0.045
null
null
0.057
null
null
null
null
2.7
2.7
null
null
null
has coordinates
Tillmanns, E.; Schwabenländer, F.; Güssregen, S.; Hünig, S.; Metzenthin, T. <i>N</i>,<i>N</i>'-Dicyano-4,7-indanquinone diimine Acta Crystallographica Section C 50(5) (1994) 715-717
301,791
2025-08-18
23:15:34
#------------------------------------------------------------------------------ #$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/2/00/97/2009731.cif $ #-------------------------------------------------------------------...
2,009,732
15.068
0.002
15.068
0.002
32.303
0.006
90
null
90
null
120
null
6,351.6
1.7
173
null
null
null
null
null
null
null
7
R -3 :H
-R 3
null
- C48 H114 Cl12 N4 Na2 O24 Ta6 -
- C48 H114 Cl12 N4 Na2 O24 Ta6 -
- C144 H342 Cl36 N12 Na6 O72 Ta18 -
3
0.166667
SH1052
Beck, U.; Borrmann, H.; Simon, A.
(C~18~H~36~N~2~O~6~Na)~2~[Ta~6~Cl~12~(CH~3~O)~6~].6CH~3~OH with partial substitution of CH~3~O^{-^} by OH^{-^}
Acta Crystallographica Section C
1,994
50
5
695
697
10.1107/S0108270193008546
0.71073
MoKα
null
0.0424
null
null
0.0427
null
null
null
null
1.2085
1.2085
null
null
null
has coordinates
Beck, U.; Borrmann, H.; Simon, A. (C~18~H~36~N~2~O~6~Na)~2~[Ta~6~Cl~12~(CH~3~O)~6~].6CH~3~OH with partial substitution of CH~3~O^{-^} by OH^{-^} Acta Crystallographica Section C 50(5) (1994) 695-697
283,803
2023-05-16
8:05:52
#------------------------------------------------------------------------------ #$Date: 2023-05-16 11:05:35 +0300 (Tue, 16 May 2023) $ #$Revision: 283803 $ #$URL: file:///home/coder/svn-repositories/_RELOADED_COD/cod-reloaded/cif/2/00/97/2009732.cif $ #-------------------------------------------------------------------...
2,009,733
8.31
0.002
16.473
0.007
10.32
0.005
90
null
113.6
0.03
90
null
1,294.6
0.9
293
null
null
null
null
null
null
null
5
P 1 21/a 1
-P 2yab
null
- C11 H11 N O2 S3 -
- C11 H11 N O2 S3 -
- C44 H44 N4 O8 S12 -
4
1
SH1057
Krüger, P.; Kustos, M.; Steudel, R.
Methyl 3-(1,3-benzothiazol-2-yldithio)propanoate, C~11~H~11~NO~2~S~3~
Acta Crystallographica Section C
1,994
50
5
767
769
10.1107/S0108270193008418
0.71069
MoKα
null
0.0422
null
null
0.0422
null
null
null
null
0.89
0.89
null
null
null
has coordinates
Krüger, P.; Kustos, M.; Steudel, R. Methyl 3-(1,3-benzothiazol-2-yldithio)propanoate, C~11~H~11~NO~2~S~3~ Acta Crystallographica Section C 50(5) (1994) 767-769
301,791
2025-08-18
23:15:34
#------------------------------------------------------------------------------ #$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/2/00/97/2009733.cif $ #-------------------------------------------------------------------...
2,009,734
21.647
0.005
11.738
0.002
11.415
0.003
90
null
90
null
90
null
2,900.5
1.1
293
null
null
null
null
null
null
null
6
P n a 21
P 2c -2n
null
- C22 H34 N8 O4 P2 S2 -
- C22 H34 N8 O4 P2 S2 -
- C88 H136 N32 O16 P8 S8 -
4
1
SH1063
Engelhardt, U.; Rosefid, M.
Ein Zwölfring mit Phosphor(V), Kohlenstoff und Dimethylhydrazin als Ringbausteinen und grossen endocyclischen Torsionswinkeln um die N–N-Bindungen
Acta Crystallographica Section C
1,994
50
5
775
777
10.1107/S0108270193008844
0.71069
MoKα
null
0.053
null
null
0.031
null
null
null
null
1.22
1.22
null
null
null
has coordinates
Engelhardt, U.; Rosefid, M. Ein Zwölfring mit Phosphor(V), Kohlenstoff und Dimethylhydrazin als Ringbausteinen und grossen endocyclischen Torsionswinkeln um die N–N-Bindungen Acta Crystallographica Section C 50(5) (1994) 775-777
301,791
2025-08-18
23:15:34
#------------------------------------------------------------------------------ #$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/2/00/97/2009734.cif $ #-------------------------------------------------------------------...
2,009,735
8.011
0.006
12.205
0.01
22.336
0.013
90
null
90
null
90
null
2,184
3
293
2
293
2
null
null
null
null
5
P 21 21 21
P 2ac 2ab
19
lithium bis[methyl α-L-rhamnopyranosid-(2,3)-ato(2-)]cuprate(II) tetrahydrate
- C14 H32 Cu Li2 O14 -
- C14 H32 Cu Li2 O14 -
- C56 H128 Cu4 Li8 O56 -
4
1
SH1071
Klaassen, Markus; Klüfers, Peter
Polyol metal complexes. VI. Structure of lithium bis[methyl α-<small>L</small>-rhamnopyranosid(2,3)-ato(2‒)]cuprate(II) tetrahydrate
Acta Crystallographica Section C
1,994
50
5
686
688
10.1107/S0108270193010522
0.71069
MoKα
0.0397
0.0288
null
0.0681
0.0643
null
null
null
1.031
1.054
1.054
null
null
null
has coordinates
Klaassen, Markus; Klüfers, Peter Polyol metal complexes. VI. Structure of lithium bis[methyl α-<small>L</small>-rhamnopyranosid(2,3)-ato(2‒)]cuprate(II) tetrahydrate Acta Crystallographica Section C 50(5) (1994) 686-688
199,607
2020-10-21
18:00:00
#------------------------------------------------------------------------------ #$Date: 2017-08-07 04:53:34 +0300 (Mon, 07 Aug 2017) $ #$Revision: 199607 $ #$URL: file:///home/coder/svn-repositories/_RELOADED_COD/cod-reloaded/cif/2/00/97/2009735.cif $ #-------------------------------------------------------------------...
4,321,785
21.147
0.006
14.3547
0.0015
23.036
0.004
90
null
116.78
0.02
90
null
6,243
2
220
2
220
2
null
null
null
null
see experimental
7
P 1 21/a 1
-P 2yab
14
- C28 H29 F6 N4 O4 P Pt2 -
- C28 H29 F6 N4 O4 P Pt2 -
- C224 H232 F48 N32 O32 P8 Pt16 -
8
2
Dirk Steinborn; Michael Gerisch; Clemens Bruhn; Julian A. Davies
Synthesis and Characterization of Intermolecular Hydrogen Bond Stabilized Acyl(hydroxycarbene)platinum(II) Complexes
Inorganic Chemistry
1,999
38
680
683
10.1021/ic9805170
0.71073
MoKα
0.0574
0.0363
null
0.0845
0.0767
null
null
null
0.936
1.007
1.007
null
null
null
has coordinates
Dirk Steinborn; Michael Gerisch; Clemens Bruhn; Julian A. Davies Synthesis and Characterization of Intermolecular Hydrogen Bond Stabilized Acyl(hydroxycarbene)platinum(II) Complexes Inorganic Chemistry 38 (1999) 680-683
179,320
2020-10-21
18:00:00
#------------------------------------------------------------------------------ #$Date: 2016-03-23 15:16:56 +0200 (Wed, 23 Mar 2016) $ #$Revision: 179320 $ #$URL: file:///home/coder/svn-repositories/_RELOADED_COD/cod-reloaded/cif/4/32/17/4321785.cif $ #-------------------------------------------------------------------...
2,009,736
9.932
0.003
11.2
0.01
14.08
0.01
74.1
0.05
75.54
0.04
71.53
0.03
1,405.8
1.7
298
null
298
null
null
null
null
null
4
P -1
-P 1
2
1-tert-butyl-2,4,6-trimethyl-3,5-dinitrobenzene
- C13 H18 N2 O4 -
- C13 H18 N2 O4 -
- C52 H72 N8 O16 -
4
2
SH1072
De Ridder, Dirk J.A.; Fraanje, Jan; Schenk, Henk
Crystal studies of musk compounds. VII. Molecular structures of 1-<i>tert</i>-butyl-2,4,6-trimethyl-3,5-dinitrobenzene, C~13~H~18~N~2~O~4~ (2), and 1-bromo-3,5-dimethyl-2,4,6-trinitrobenzene, C~8~H~6~BrN~3~O~6~ (4)
Acta Crystallographica Section C
1,994
50
5
749
753
10.1107/S0108270193011242
1.5418
CuKα
0.061
0.061
null
0.089
0.089
null
null
null
0.281
0.281
0.281
null
null
null
has coordinates
De Ridder, Dirk J.A.; Fraanje, Jan; Schenk, Henk Crystal studies of musk compounds. VII. Molecular structures of 1-<i>tert</i>-butyl-2,4,6-trimethyl-3,5-dinitrobenzene, C~13~H~18~N~2~O~4~ (2), and 1-bromo-3,5-dimethyl-2,4,6-trinitrobenzene, C~8~H~6~BrN~3~O~6~ (4) Acta Crystallographica Section C 50(5) (1994) 749-753
301,791
2025-08-18
23:15:34
#------------------------------------------------------------------------------ #$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/2/00/97/2009736.cif $ #-------------------------------------------------------------------...
2,009,737
5.4224
0.0009
8.975
0.001
12.094
0.002
77.82
0.009
84.19
0.02
76.46
0.01
558.5
0.15
298
null
298
null
null
null
null
null
5
P -1
-P 1
2
1-Bromo-3,5-dimethyl-2,4,6-trinitrobenzene
- C8 H6 Br N3 O6 -
- C8 H6 Br N3 O6 -
- C16 H12 Br2 N6 O12 -
2
1
SH1072
De Ridder, Dirk J.A.; Fraanje, Jan; Schenk, Henk
Crystal studies of musk compounds. VII. Molecular structures of 1-<i>tert</i>-butyl-2,4,6-trimethyl-3,5-dinitrobenzene, C~13~H~18~N~2~O~4~ (2), and 1-bromo-3,5-dimethyl-2,4,6-trinitrobenzene, C~8~H~6~BrN~3~O~6~ (4)
Acta Crystallographica Section C
1,994
50
5
749
753
10.1107/S0108270193011242
1.5418
CuKα
0.073
0.073
null
0.095
0.095
null
null
null
0.286
0.286
0.286
null
null
null
has coordinates
De Ridder, Dirk J.A.; Fraanje, Jan; Schenk, Henk Crystal studies of musk compounds. VII. Molecular structures of 1-<i>tert</i>-butyl-2,4,6-trimethyl-3,5-dinitrobenzene, C~13~H~18~N~2~O~4~ (2), and 1-bromo-3,5-dimethyl-2,4,6-trinitrobenzene, C~8~H~6~BrN~3~O~6~ (4) Acta Crystallographica Section C 50(5) (1994) 749-753
301,791
2025-08-18
23:15:34
#------------------------------------------------------------------------------ #$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/2/00/97/2009737.cif $ #-------------------------------------------------------------------...
2,009,738
10.22
0.02
10.22
0.02
10.22
0.02
90
null
90
null
90
null
1,067
4
293
null
null
null
null
null
null
null
3
I 2 3
I 2 2 3
null
- Bi12.5 O19.5 Tl0.5 -
- Bi12.5 O19.52 Tl0.5 -
- Bi25 O39.04 Tl -
2
0.083333
SH1073
Radaev, S. F.; Trömel, M.; Kargin, Y. F.; Marin, A. A.; Rider, E. E.; Sarin, V. A.
Bi~12~(Bi~0.5~^III^Tl~0.5~^III^)O~19.50~
Acta Crystallographica Section C
1,994
50
5
656
659
10.1107/S0108270193011205
neutron
1.167
neutron
null
0.0172
null
null
0.0145
null
null
null
null
1.47
1.47
null
null
null
has coordinates
Radaev, S. F.; Trömel, M.; Kargin, Y. F.; Marin, A. A.; Rider, E. E.; Sarin, V. A. Bi~12~(Bi~0.5~^III^Tl~0.5~^III^)O~19.50~ Acta Crystallographica Section C 50(5) (1994) 656-659
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/2/00/97/2009738.cif $ #-------------------------------------------------------------------...
4,321,784
8.119
0.002
9.243
0.003
12.822
0.004
76.15
0.03
89.39
0.03
69.63
0.03
873
0.5
220
2
220
2
null
null
null
null
see experimental
7
P -1
-P 1
2
- C14 H15 F6 N2 O2 P Pt -
- C14 H15 F6 N2 O2 P Pt -
- C28 H30 F12 N4 O4 P2 Pt2 -
2
1
Dirk Steinborn; Michael Gerisch; Clemens Bruhn; Julian A. Davies
Synthesis and Characterization of Intermolecular Hydrogen Bond Stabilized Acyl(hydroxycarbene)platinum(II) Complexes
Inorganic Chemistry
1,999
38
680
683
10.1021/ic9805170
0.71073
MoKα
0.0351
0.0339
null
0.0829
0.0822
null
null
null
1.099
1.122
1.122
null
null
null
has coordinates
Dirk Steinborn; Michael Gerisch; Clemens Bruhn; Julian A. Davies Synthesis and Characterization of Intermolecular Hydrogen Bond Stabilized Acyl(hydroxycarbene)platinum(II) Complexes Inorganic Chemistry 38 (1999) 680-683
179,320
2020-10-21
18:00:00
#------------------------------------------------------------------------------ #$Date: 2016-03-23 15:16:56 +0200 (Wed, 23 Mar 2016) $ #$Revision: 179320 $ #$URL: file:///home/coder/svn-repositories/_RELOADED_COD/cod-reloaded/cif/4/32/17/4321784.cif $ #-------------------------------------------------------------------...
2,009,739
6.944
0.001
20.42
0.002
5.836
0.001
90
null
114.15
0.01
90
null
755.1
0.19
295
null
null
null
null
null
null
null
2
P 1 21/c 1
-P 2ybc
null
- P2 Se5 -
- P2 Se5 -
- P8 Se20 -
4
1
SH1075
Blachnik, R.; Lönnecke, P.
P~2~Se~5~
Acta Crystallographica Section C
1,994
50
5
659
661
10.1107/S0108270193010534
0.7093
MoKα
null
0.035
null
null
0.034
null
null
null
null
2.42
2.42
null
null
null
has coordinates
Blachnik, R.; Lönnecke, P. P~2~Se~5~ Acta Crystallographica Section C 50(5) (1994) 659-661
301,791
2025-08-18
23:15:34
#------------------------------------------------------------------------------ #$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/2/00/97/2009739.cif $ #-------------------------------------------------------------------...
2,009,740
20.845
0.004
7.927
0.001
17.08
0.003
90
null
91.61
0.01
90
null
2,821.2
0.8
293
null
null
null
null
null
null
null
5
P 1 21/c 1
-P 2ybc
null
- C15 H14 Br N O2 -
- C15 H14 Br N O2 -
- C120 H112 Br8 N8 O16 -
8
2
SH1077
Berger, B.; Bolte, M.
3-Bromo-6-methylamino-2'-methoxybenzophenone
Acta Crystallographica Section C
1,994
50
5
773
775
10.1107/S0108270193011217
1.5418
CuKα
null
null
null
null
null
null
null
null
null
5.1
5.1
null
null
null
has coordinates
Berger, B.; Bolte, M. 3-Bromo-6-methylamino-2'-methoxybenzophenone Acta Crystallographica Section C 50(5) (1994) 773-775
301,791
2025-08-18
23:15:34
#------------------------------------------------------------------------------ #$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/2/00/97/2009740.cif $ #-------------------------------------------------------------------...
2,009,741
10.213
0.002
8.151
0.001
17.671
0.003
90
null
94.83
0.02
90
null
1,465.8
0.4
196
null
196
null
null
null
null
null
3
P 1 21/c 1
-P 2ybc
14
4-acetyl-1,1,3,3,5,6-hexamethylindan
- C17 H24 O -
- C17 H24 O -
- C68 H96 O4 -
4
1
SH1084
De Ridder, Dirk J.A.; Fraanje, Jan; Schenk, Henk
Crystal studies of musk compounds. IX. 4-Acetyl-1,1,3,3,5,6-hexamethylindan
Acta Crystallographica Section C
1,994
50
5
753
755
10.1107/S0108270193012399
1.5418
CuKα
0.05
0.05
null
0.064
0.064
null
null
null
0.159
0.159
0.159
null
null
null
has coordinates
De Ridder, Dirk J.A.; Fraanje, Jan; Schenk, Henk Crystal studies of musk compounds. IX. 4-Acetyl-1,1,3,3,5,6-hexamethylindan Acta Crystallographica Section C 50(5) (1994) 753-755
301,791
2025-08-18
23:15:34
#------------------------------------------------------------------------------ #$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/2/00/97/2009741.cif $ #-------------------------------------------------------------------...
2,009,742
13.327
0.001
7.0693
0.0009
14.115
0.001
90
null
104.588
0.009
90
null
1,286.9
0.2
231
null
231
null
null
null
null
null
3
P 1 21/c 1
-P 2ybc
14
1,1,2,3,3-pentamethyl-2,3,4,5,6,7-hexahydroinden-4-one
- C14 H22 O -
- C14 H22 O -
- C56 H88 O4 -
4
1
SH1085
De Ridder, Dirk J. A.; Fraanje, Jan; Schenk, Henk; 1,1,2,3,3-pentamethyl-2,3,4,5,6,7-hexahydroinden-4-one
Crystal studies of musk compounds. X. 1,1,2,3,3-Pentamethyl-2,3,4,5,6,7-hexahydroinden-4-one
Acta Crystallographica Section C
1,994
50
5
755
757
10.1107/S0108270193012405
1.5418
CuKα
0.084
0.084
null
0.11
0.11
null
null
null
0.268
0.268
0.268
null
null
null
has coordinates
De Ridder, Dirk J. A.; Fraanje, Jan; Schenk, Henk; 1,1,2,3,3-pentamethyl-2,3,4,5,6,7-hexahydroinden-4-one Crystal studies of musk compounds. X. 1,1,2,3,3-Pentamethyl-2,3,4,5,6,7-hexahydroinden-4-one Acta Crystallographica Section C 50(5) (1994) 755-757
301,791
2025-08-18
23:15:34
#------------------------------------------------------------------------------ #$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/2/00/97/2009742.cif $ #-------------------------------------------------------------------...
2,009,743
6.648
0.003
20.473
0.005
6.4
0.003
90
null
90
null
90
null
871.1
0.6
173
1
173
1
null
null
null
null
5
P 21 21 21
P 2ac 2ab
19
1-deoxynojirimycin hydrochloride
1,5-Dideoxy-1,5-iminium-glucitol chloride
- C6 H14 Cl N O4 -
- C6 H14 Cl N O4 -
- C24 H56 Cl4 N4 O16 -
4
1
SH1087
Linden, Anthony; Hoos, Roland; Vasella, Andrea
1-Deoxynojirimycin hydrochloride
Acta Crystallographica Section C
1,994
50
5
746
749
10.1107/S0108270193012417
0.71069
MoKα
0.0285
0.0233
null
0.0256
0.025
null
null
null
null
1.583
1.583
null
null
null
has coordinates
Linden, Anthony; Hoos, Roland; Vasella, Andrea 1-Deoxynojirimycin hydrochloride Acta Crystallographica Section C 50(5) (1994) 746-749
301,791
2025-08-18
23:15:34
#------------------------------------------------------------------------------ #$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/2/00/97/2009743.cif $ #-------------------------------------------------------------------...
4,321,783
60.2
0.006
14.977
0.002
19.066
0.003
90
null
98.367
0.014
90
null
17,007
4
173
2
173
2
null
null
null
null
10
C 1 2/c 1
-C 2yc
15
- C74 H69 Au3 Cl10 F6 Fe N O6 P3 S3 -
- C74 H65 Au3 Cl10 F6 Fe N O6 P3 S3 -
- C592 H520 Au24 Cl80 F48 Fe8 N8 O48 P24 S24 -
8
1
Eva M. Barranco; M. Concepción Gimeno; Peter G. Jones; Antonio Laguna; M. Dolores Villacampa
Synthesis of the Ferrocene Derivative FcCHN(CH~2~)~2~SH [Fc = (η5-C~5~H~5~)Fe(η5-C~5~H~4~)]: Reactivity toward (Phosphine)gold(I) Cations
Inorganic Chemistry
1,999
38
702
706
10.1021/ic980379e
0.71073
MoKα
0.1192
0.052
null
0.105
0.0918
null
null
null
0.776
0.977
0.977
null
null
null
has coordinates
Eva M. Barranco; M. Concepción Gimeno; Peter G. Jones; Antonio Laguna; M. Dolores Villacampa Synthesis of the Ferrocene Derivative FcCHN(CH~2~)~2~SH [Fc = (η5-C~5~H~5~)Fe(η5-C~5~H~4~)]: Reactivity toward (Phosphine)gold(I) Cations Inorganic Chemistry 38 (1999) 702-706
179,320
2020-10-21
18:00:00
#------------------------------------------------------------------------------ #$Date: 2016-03-23 15:16:56 +0200 (Wed, 23 Mar 2016) $ #$Revision: 179320 $ #$URL: file:///home/coder/svn-repositories/_RELOADED_COD/cod-reloaded/cif/4/32/17/4321783.cif $ #-------------------------------------------------------------------...
2,009,744
10.805
0.001
10.114
0.001
13.11
0.001
90
null
90
null
90
null
1,432.7
0.2
296
null
null
null
null
null
null
null
5
P b c n
-P 2n 2ab
null
- C8 H16 Cl3 In O2 -
- C8 H16 Cl3 In O2 -
- C32 H64 Cl12 In4 O8 -
4
0.5
ST1063
Whittlesey, B. R.; Ittycheriah, I. P.
Trichlorobis(tetrahydrofuran)indium(III)
Acta Crystallographica Section C
1,994
50
5
693
695
10.1107/S0108270193010613
0.71073
MoKα
null
0.0347
null
null
0.033
null
null
null
null
1.52
1.52
null
null
null
has coordinates
Whittlesey, B. R.; Ittycheriah, I. P. Trichlorobis(tetrahydrofuran)indium(III) Acta Crystallographica Section C 50(5) (1994) 693-695
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/2/00/97/2009744.cif $ #-------------------------------------------------------------------...
2,009,745
12.628
0.002
14.679
0.004
13.644
0.003
90
null
102.25
0.02
90
null
2,471.6
1
183
null
null
null
null
null
null
null
6
P 1 21/a 1
-P 2yab
14
- C13 H37 Li O2 Se Si4 -
- C13 H37 Li O2 Se Si4 -
- C52 H148 Li4 O8 Se4 Si16 -
4
1
ST1075
Flick, Karen E.; Bonasia, Philip J.; Gindelberger, David E.; Katari, Janet E. B.; Schwartz, David
Lithium tris(trimethylsilyl)silylselenolate mono(1,2-dimethoxyethane)
Acta Crystallographica Section C
1,994
50
5
674
675
10.1107/S0108270193007206
0.71073
MoKα
null
0.028
null
null
0.03
null
null
null
null
1.129
1.129
null
null
null
has coordinates
Flick, Karen E.; Bonasia, Philip J.; Gindelberger, David E.; Katari, Janet E. B.; Schwartz, David Lithium tris(trimethylsilyl)silylselenolate mono(1,2-dimethoxyethane) Acta Crystallographica Section C 50(5) (1994) 674-675
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/2/00/97/2009745.cif $ #-------------------------------------------------------------------...
2,009,746
9.384
0.002
12.059
0.003
4.595
0.002
95.32
0.03
95.97
0.03
110.13
0.02
480.9
0.3
null
null
null
null
null
null
null
null
6
P -1
-P 1
2
- C9 H5 Cl N2 O S -
- C9 H5 Cl N2 O S -
- C18 H10 Cl2 N4 O2 S2 -
2
1
AB1087
Ergi̇n, O.; Sillanpää, R.; Safak, C.; Calis, İ.
(5-Chloro-1,3-benzoxazol-2-ylthio)acetonitrile
Acta Crystallographica Section C
1,994
50
6
933
935
10.1107/S0108270193011928
0.71069
MoKα
null
0.066
null
null
0.079
null
null
null
null
2.38
2.38
null
null
null
has coordinates
Ergi̇n, O.; Sillanpää, R.; Safak, C.; Calis, İ. (5-Chloro-1,3-benzoxazol-2-ylthio)acetonitrile Acta Crystallographica Section C 50(6) (1994) 933-935
301,791
2025-08-18
23:15:34
#------------------------------------------------------------------------------ #$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/2/00/97/2009746.cif $ #-------------------------------------------------------------------...
2,009,747
6.612
0.001
7.685
0.001
17.191
0.002
90
null
90
null
90
null
873.5
0.2
296
null
null
null
null
null
null
null
3
P 21 21 21
P 2ac 2ab
19
- C7 H12 O7 -
- C7 H12 O7 -
- C28 H48 O28 -
4
1
AB1093
Søtofte, I.
<small>D</small>-<i>glycero</i>-<small>D</small>-<i>gulo</i>-Heptono- (I) and 2,7-ditosyl-<small>D</small>-<i>glycero</i>-<small>D</small>-<i>gulo</i>-heptono-1,4-lactone (II)
Acta Crystallographica Section C
1,994
50
6
938
941
10.1107/S0108270193010212
0.71073
MoKα
null
0.039
null
null
0.04
null
null
null
null
1.27
1.27
null
null
null
has coordinates
Søtofte, I. <small>D</small>-<i>glycero</i>-<small>D</small>-<i>gulo</i>-Heptono- (I) and 2,7-ditosyl-<small>D</small>-<i>glycero</i>-<small>D</small>-<i>gulo</i>-heptono-1,4-lactone (II) Acta Crystallographica Section C 50(6) (1994) 938-941
301,791
2025-08-18
23:15:34
#------------------------------------------------------------------------------ #$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/2/00/97/2009747.cif $ #-------------------------------------------------------------------...
2,009,748
5.781
0.002
19.526
0.003
20.538
0.004
90
null
90
null
90
null
2,318.3
1
296
null
null
null
null
null
null
null
4
P 21 21 21
P 2ac 2ab
null
- C21 H24 O11 S2 -
- C21 H24 O11 S2 -
- C84 H96 O44 S8 -
4
1
AB1093
Søtofte, I.
<small>D</small>-<i>glycero</i>-<small>D</small>-<i>gulo</i>-Heptono- (I) and 2,7-ditosyl-<small>D</small>-<i>glycero</i>-<small>D</small>-<i>gulo</i>-heptono-1,4-lactone (II)
Acta Crystallographica Section C
1,994
50
6
938
941
10.1107/S0108270193010212
0.71073
MoKα
null
0.071
null
null
0.046
null
null
null
null
1.37
1.37
null
null
null
has coordinates
Søtofte, I. <small>D</small>-<i>glycero</i>-<small>D</small>-<i>gulo</i>-Heptono- (I) and 2,7-ditosyl-<small>D</small>-<i>glycero</i>-<small>D</small>-<i>gulo</i>-heptono-1,4-lactone (II) Acta Crystallographica Section C 50(6) (1994) 938-941
301,791
2025-08-18
23:15:34
#------------------------------------------------------------------------------ #$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/2/00/97/2009748.cif $ #-------------------------------------------------------------------...
2,009,749
16.548
0.007
14.854
0.008
5.377
0.009
90
null
90
null
90
null
1,322
2
120
null
null
null
null
null
null
null
4
P 21 21 21
P 2ac 2ab
19
- C8 H14 O10 S2 -
- C8 H14 O10 S2 -
- C32 H56 O40 S8 -
4
1
AB1094
Søtofte, I.
2,6-Dimesyl-<small>D</small>-<i>manno</i>-hexono- (III), 2,6-dimesyl-<small>D</small>-<i>allo</i>-hexono- (IV) and 2,6-dimesyl-<small>D</small>-<i>gulo</i>-hexono-1,4-lactone (V)
Acta Crystallographica Section C
1,994
50
6
941
945
10.1107/S0108270193010224
1.5418
CuKα
null
0.081
null
null
0.106
null
null
null
null
1.23
1.23
null
null
null
has coordinates
Søtofte, I. 2,6-Dimesyl-<small>D</small>-<i>manno</i>-hexono- (III), 2,6-dimesyl-<small>D</small>-<i>allo</i>-hexono- (IV) and 2,6-dimesyl-<small>D</small>-<i>gulo</i>-hexono-1,4-lactone (V) Acta Crystallographica Section C 50(6) (1994) 941-945
301,791
2025-08-18
23:15:34
#------------------------------------------------------------------------------ #$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/2/00/97/2009749.cif $ #-------------------------------------------------------------------...
4,321,782
8.875
0.002
18.629
0.002
15.399
0.002
90
null
91.37
0.02
90
null
2,545.2
0.7
294.2
null
294.2
null
null
null
null
null
7
P 1 21/n 1
-P 2yn
14
- C20 H33 Cl N4 Ni O5 S2 -
- C20 H33 Cl N4 Ni O5 S2 -
- C80 H132 Cl4 N16 Ni4 O20 S8 -
4
1
Sudeep Bhattacharyya; Timothy J. R. Weakley; Muktimoy Chaudhury
Nickel(II) in an N4S Donor Environment: An Unprecedented Alcoholysis Reaction through the Activation of a Carbon-Nitrogen Single Bond
Inorganic Chemistry
1,999
38
633
638
10.1021/ic9703888
0.7107
MoKalpha
null
0.0486
null
null
0.0529
null
null
null
null
2.663
2.663
null
null
null
has coordinates
Sudeep Bhattacharyya; Timothy J. R. Weakley; Muktimoy Chaudhury Nickel(II) in an N4S Donor Environment: An Unprecedented Alcoholysis Reaction through the Activation of a Carbon-Nitrogen Single Bond Inorganic Chemistry 38 (1999) 633-638
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/4/32/17/4321782.cif $ #-------------------------------------------------------------------...
2,009,750
10.277
0.002
5.26
0.002
12.07
0.003
90
null
93.36
0.02
90
null
651.3
0.3
120
null
null
null
null
null
null
null
4
P 1 21 1
P 2yb
4
- C8 H14 O10 S2 -
- C8 H14 O10 S2 -
- C16 H28 O20 S4 -
2
1
AB1094
Søtofte, I.
2,6-Dimesyl-<small>D</small>-<i>manno</i>-hexono- (III), 2,6-dimesyl-<small>D</small>-<i>allo</i>-hexono- (IV) and 2,6-dimesyl-<small>D</small>-<i>gulo</i>-hexono-1,4-lactone (V)
Acta Crystallographica Section C
1,994
50
6
941
945
10.1107/S0108270193010224
0.71073
MoKα
null
0.04
null
null
0.041
null
null
null
null
1.21
1.21
null
null
null
has coordinates
Søtofte, I. 2,6-Dimesyl-<small>D</small>-<i>manno</i>-hexono- (III), 2,6-dimesyl-<small>D</small>-<i>allo</i>-hexono- (IV) and 2,6-dimesyl-<small>D</small>-<i>gulo</i>-hexono-1,4-lactone (V) Acta Crystallographica Section C 50(6) (1994) 941-945
301,791
2025-08-18
23:15:34
#------------------------------------------------------------------------------ #$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/2/00/97/2009750.cif $ #-------------------------------------------------------------------...
2,009,751
5.711
0.003
8.941
0.003
12.99
0.005
90
null
101.71
0.03
90
null
649.5
0.5
120
null
null
null
null
null
null
null
4
P 1 21 1
P 2yb
4
- C8 H14 O10 S2 -
- C8 H14 O10 S2 -
- C16 H28 O20 S4 -
2
1
AB1094
Søtofte, I.
2,6-Dimesyl-<small>D</small>-<i>manno</i>-hexono- (III), 2,6-dimesyl-<small>D</small>-<i>allo</i>-hexono- (IV) and 2,6-dimesyl-<small>D</small>-<i>gulo</i>-hexono-1,4-lactone (V)
Acta Crystallographica Section C
1,994
50
6
941
945
10.1107/S0108270193010224
0.71073
MoKα
null
0.043
null
null
0.043
null
null
null
null
1.19
1.19
null
null
null
has coordinates
Søtofte, I. 2,6-Dimesyl-<small>D</small>-<i>manno</i>-hexono- (III), 2,6-dimesyl-<small>D</small>-<i>allo</i>-hexono- (IV) and 2,6-dimesyl-<small>D</small>-<i>gulo</i>-hexono-1,4-lactone (V) Acta Crystallographica Section C 50(6) (1994) 941-945
301,791
2025-08-18
23:15:34
#------------------------------------------------------------------------------ #$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/2/00/97/2009751.cif $ #-------------------------------------------------------------------...
2,009,752
9.2287
0.0009
14.191
0.0012
23.2013
0.0015
90
null
95.835
0.006
90
null
3,022.8
0.4
293
null
293
null
null
null
null
null
3
P 1 21/c 1
-P 2ybc
14
2,2,2-Triphenylethanol
2,2,2-Triphenylethanol
- C20 H18 O -
- C20 H18 O -
- C160 H144 O8 -
8
2
AB1164
Ferguson, George; Glidewell, Christopher; Zakaria, Choudhury M.
2,2,2-Triphenylethanol: a hydrogen-bonded tetramer based upon a centrosymmetric <i>R</i>~4~^4^(8) motif
Acta Crystallographica Section C
1,994
50
6
928
931
10.1107/S0108270194002179
0.71067
MoKα
0.041
0.041
null
0.061
0.061
null
null
null
null
1.51
1.51
null
null
null
has coordinates
Ferguson, George; Glidewell, Christopher; Zakaria, Choudhury M. 2,2,2-Triphenylethanol: a hydrogen-bonded tetramer based upon a centrosymmetric <i>R</i>~4~^4^(8) motif Acta Crystallographica Section C 50(6) (1994) 928-931
301,791
2025-08-18
23:15:34
#------------------------------------------------------------------------------ #$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/2/00/97/2009752.cif $ #-------------------------------------------------------------------...
2,009,753
13.5889
0.0017
13.752
0.003
9.7843
0.001
90
null
101.785
0.01
90
null
1,789.9
0.5
293
null
293
null
null
null
null
null
5
P 1 21/a 1
-P 2yab
14
Tetracarbonyl[1-phenyl-N-(2-pyridylmethylidene)ethylamine-N,N']molybdenum(0)
- C18 H14 Mo N2 O4 -
- C18 H14 Mo N2 O4 -
- C72 H56 Mo4 N8 O16 -
4
1
AB1177
Alyea, Elmer C.; Ferguson, George; Jain, Vimal K.
Tetracarbonyl[1-phenyl-<i>N</i>-(2-pyridylmethylidene)ethylamine-<i>N</i>,<i>N</i>']molybdenum(0)
Acta Crystallographica Section C
1,994
50
6
854
857
10.1107/S0108270194003197
0.71069
MoKα
0.025
0.025
null
0.031
0.031
null
null
null
null
1
1
null
null
null
has coordinates
Alyea, Elmer C.; Ferguson, George; Jain, Vimal K. Tetracarbonyl[1-phenyl-<i>N</i>-(2-pyridylmethylidene)ethylamine-<i>N</i>,<i>N</i>']molybdenum(0) Acta Crystallographica Section C 50(6) (1994) 854-857
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/2/00/97/2009753.cif $ #-------------------------------------------------------------------...
4,321,781
10.4886
0.0005
10.706
0.001
11.487
0.001
108.784
0.008
108.887
0.006
95.139
0.006
1,128.07
0.18
293.2
null
293.2
null
null
null
null
null
7
P -1
-P 1
2
- C17 H27 Cl N4 Ni O5 S2 -
- C17 H27 Cl N4 Ni O5 S2 -
- C34 H54 Cl2 N8 Ni2 O10 S4 -
2
1
Sudeep Bhattacharyya; Timothy J. R. Weakley; Muktimoy Chaudhury
Nickel(II) in an N4S Donor Environment: An Unprecedented Alcoholysis Reaction through the Activation of a Carbon-Nitrogen Single Bond
Inorganic Chemistry
1,999
38
633
638
10.1021/ic9703888
0.7107
MoKalpha
null
0.0418
null
null
0.0541
null
null
null
null
2.688
2.688
null
null
null
has coordinates
Sudeep Bhattacharyya; Timothy J. R. Weakley; Muktimoy Chaudhury Nickel(II) in an N4S Donor Environment: An Unprecedented Alcoholysis Reaction through the Activation of a Carbon-Nitrogen Single Bond Inorganic Chemistry 38 (1999) 633-638
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/4/32/17/4321781.cif $ #-------------------------------------------------------------------...
2,009,754
7.22
0.002
9.528
0.002
32.344
0.007
90
null
90
null
90
null
2,225
0.9
293
null
null
null
null
null
null
null
4
P 21 21 21
P 2ac 2ab
null
- C25 H31 N O5 -
- C25 H31 N O5 -
- C100 H124 N4 O20 -
4
1
AL1065
Woudenberg, R. H.; Koningsveld, H. V.; Maat, L.
Structure of a Diels–Alder adduct at a 5,7-disubstituted thebaine derivative
Acta Crystallographica Section C
1,994
50
6
913
915
10.1107/S0108270193010777
0.71073
MoKα
null
5.6
null
null
5.3
null
null
null
null
3.6
3.6
null
null
null
has coordinates
Woudenberg, R. H.; Koningsveld, H. V.; Maat, L. Structure of a Diels–Alder adduct at a 5,7-disubstituted thebaine derivative Acta Crystallographica Section C 50(6) (1994) 913-915
301,791
2025-08-18
23:15:34
#------------------------------------------------------------------------------ #$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/2/00/97/2009754.cif $ #-------------------------------------------------------------------...
2,009,755
10.165
0.002
10.191
0.002
11.004
0.002
66.77
0.01
70.41
0.01
87.56
0.01
981.6
0.3
293
null
293
null
null
null
null
null
5
P -1
-P 1
2
Di-chloro-4,7-diphenyl-1,10-phenantroline copper (II).
- C24 H16 Cl2 Cu N2 -
- C24 H16 Cl2 Cu N2 -
- C48 H32 Cl4 Cu2 N4 -
2
1
AS1079
Atria, A.M.; Baggio, R.F.; Garland, M.T.; Spodine, E.
Di-μ-chlorobis[chloro(4,7-diphenyl-1,10-phenanthroline)copper(II)]
Acta Crystallographica Section C
1,994
50
6
864
866
10.1107/S010827019301217X
0.71073
MoKα
6.25
0.036
null
6.25
0.036
null
null
null
null
1.35
1.35
null
null
null
has coordinates
Atria, A.M.; Baggio, R.F.; Garland, M.T.; Spodine, E. Di-μ-chlorobis[chloro(4,7-diphenyl-1,10-phenanthroline)copper(II)] Acta Crystallographica Section C 50(6) (1994) 864-866
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/2/00/97/2009755.cif $ #-------------------------------------------------------------------...
2,009,756
7.71
0.001
8.132
0.001
11.024
0.002
90
null
108.16
0.01
90
null
656.75
0.17
291
1
291
1
null
null
null
null
4
P 1 21/c 1
-P 2ybc
14
3-selenocyanatopyridine
- C6 H4 N2 Se -
- C6 H4 N2 Se -
- C24 H16 N8 Se4 -
4
1
AS1090
Dunne, S. J.; Summers, L. A.; von Nagy-Felsobuki, E. I.; Mackay, M. F.
3-Selenocyanatopyridine
Acta Crystallographica Section C
1,994
50
6
971
974
10.1107/S0108270193013927
1.5418
CuKα
null
0.038
null
null
0.058
null
null
null
null
2.82
2.82
null
null
null
has coordinates
Dunne, S. J.; Summers, L. A.; von Nagy-Felsobuki, E. I.; Mackay, M. F. 3-Selenocyanatopyridine Acta Crystallographica Section C 50(6) (1994) 971-974
301,791
2025-08-18
23:15:34
#------------------------------------------------------------------------------ #$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/2/00/97/2009756.cif $ #-------------------------------------------------------------------...
2,009,757
11.14
0.01
27.092
0.003
7.179
0.004
90
null
90
null
90
null
2,167
2
293
null
295
null
null
null
null
null
5
P b c a
-P 2ac 2ab
61
- C9 H10 Hg O2 S -
- C9 H10 Hg O S2 -
- C72 H80 Hg8 O8 S16 -
8
1
AS1099
Tiekink, Edward R.T.
(<i>O</i>-Ethyl dithiocarbonato-κ<i>S</i>)phenylmercury, [Hg(C~3~H~5~OS~2~)(C~6~H~5~)]
Acta Crystallographica Section C
1,994
50
6
861
862
10.1107/S0108270194000259
0.71073
MoKα
0.215
0.043
null
0.178
0.047
null
null
null
4.81
1.86
1.86
null
null
null
has coordinates
Tiekink, Edward R.T. (<i>O</i>-Ethyl dithiocarbonato-κ<i>S</i>)phenylmercury, [Hg(C~3~H~5~OS~2~)(C~6~H~5~)] Acta Crystallographica Section C 50(6) (1994) 861-862
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/2/00/97/2009757.cif $ #-------------------------------------------------------------------...
2,009,758
16.786
0.001
15.099
0.001
13.291
0.002
90
null
90
null
90
null
3,368.6
0.6
294
null
294
null
null
null
null
null
3
P b c a
-P 2ac 2ab
61
2-Propyl 12-carboxy-9,10-dihydro-9,10- ethenoanthracene-11-carboxylate
- C21 H18 O4 -
- C21 H18 O4 -
- C168 H144 O32 -
8
1
BK1006
Pokkuluri, Phani Raj; Scheffer, John R.; Trotter, James
Isopropyl hydrogen 9,10-dihydro-9,10-ethenoanthracene-11,12-dicarboxylate
Acta Crystallographica Section C
1,994
50
6
922
924
10.1107/S0108270193014003
1.5418
CopperKα
0.122
0.055
null
0.081
0.077
null
null
null
null
2.05
2.05
null
null
null
has coordinates
Pokkuluri, Phani Raj; Scheffer, John R.; Trotter, James Isopropyl hydrogen 9,10-dihydro-9,10-ethenoanthracene-11,12-dicarboxylate Acta Crystallographica Section C 50(6) (1994) 922-924
301,791
2025-08-18
23:15:34
#------------------------------------------------------------------------------ #$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/2/00/97/2009758.cif $ #-------------------------------------------------------------------...
2,009,759
14.402
0.002
27.795
0.004
4.152
0.001
90
null
90
null
90
null
1,662.1
0.5
295
2
295
2
null
null
null
null
4
F d d 2
F 2 -2d
43
- C4 H6 N8 O4 -
- C4 H6 N8 O4 -
- C32 H48 N64 O32 -
8
0.5
BK1017
Flippen-Anderson, Judith L.; Kony, Michael; Dagley, Ian J.
A high-density thermally stable explosive: octahydro-2,5-bis(nitroimino)imidazo[4,5-<i>d</i>]imidazole
Acta Crystallographica Section C
1,994
50
6
974
976
10.1107/S010827019400048X
1.54178
CuKα
0.0471
0.0455
null
0.1279
0.1238
null
null
null
1.147
1.143
1.143
null
null
null
has coordinates
Flippen-Anderson, Judith L.; Kony, Michael; Dagley, Ian J. A high-density thermally stable explosive: octahydro-2,5-bis(nitroimino)imidazo[4,5-<i>d</i>]imidazole Acta Crystallographica Section C 50(6) (1994) 974-976
301,791
2025-08-18
23:15:34
#------------------------------------------------------------------------------ #$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/2/00/97/2009759.cif $ #-------------------------------------------------------------------...
2,009,760
10.075
0.002
10.17
0.003
15.015
0.004
71.27
0.03
74.01
0.02
64.28
0.02
1,295.8
0.6
295
null
null
null
null
null
null
null
7
P -1
-P 1
2
- C27 H26 Cl2 N2 O2 P Re -
- C27 H26 Cl2 N2 O2 P Re -
- C54 H52 Cl4 N4 O4 P2 Re2 -
2
1
BR1050
Lebuis, A. -M.; Beauchamp, A. L.
(<i>OC</i>-6-14)-(7-Azaindole)dichloro(ethoxo)oxo(triphenylphosphine)rhenium(V)
Acta Crystallographica Section C
1,994
50
6
882
884
10.1107/S0108270193011734
0.7093
MoKα
null
0.038
null
null
0.039
null
null
null
null
1.3
1.3
null
null
null
has coordinates
Lebuis, A. -M.; Beauchamp, A. L. (<i>OC</i>-6-14)-(7-Azaindole)dichloro(ethoxo)oxo(triphenylphosphine)rhenium(V) Acta Crystallographica Section C 50(6) (1994) 882-884
278,247
2022-09-28
15:09:32
#------------------------------------------------------------------------------ #$Date: 2022-09-28 18:08:17 +0300 (Wed, 28 Sep 2022) $ #$Revision: 278247 $ #$URL: file:///home/coder/svn-repositories/_RELOADED_COD/cod-reloaded/cif/2/00/97/2009760.cif $ #-------------------------------------------------------------------...
4,321,780
9.763
0.003
10.255
0.004
11.607
0.006
114.01
0.04
95.03
0.03
95.23
0.03
1,047.1
0.8
200
2
200
2
null
null
null
null
6
P -1
-P 1
2
- C36 H52 Fe2 N4 O4 S6 -
- C36 H52 Fe2 N4 O4 S6 -
- C36 H52 Fe2 N4 O4 S6 -
1
0.5
Dieter Sellmann; Jürgen Utz; Frank W. Heinemann
Transition-Metal Complexes with Sulfur Ligands. 132.1 Electron-Rich Fe and Ru Complexes with [MN~2~S~3~] Cores Containing the New Pentadentate Ligand 'N~2~H~2~S~3~'^2-^ (= 2,2'-Bis(2-mercaptophenylamino)diethyl Sulfide(2-))
Inorganic Chemistry
1,999
38
459
466
10.1021/ic980383q
0.71073
MoKα
0.0435
0.036
null
0.1052
0.1026
null
null
null
1.081
1.183
1.183
null
null
null
has coordinates
Dieter Sellmann; Jürgen Utz; Frank W. Heinemann Transition-Metal Complexes with Sulfur Ligands. 132.1 Electron-Rich Fe and Ru Complexes with [MN~2~S~3~] Cores Containing the New Pentadentate Ligand 'N~2~H~2~S~3~'^2-^ (= 2,2'-Bis(2-mercaptophenylamino)diethyl Sulfide(2-)) Inorganic Chemistry 38 (1999) 459-466
179,320
2020-10-21
18:00:00
#------------------------------------------------------------------------------ #$Date: 2016-03-23 15:16:56 +0200 (Wed, 23 Mar 2016) $ #$Revision: 179320 $ #$URL: file:///home/coder/svn-repositories/_RELOADED_COD/cod-reloaded/cif/4/32/17/4321780.cif $ #-------------------------------------------------------------------...
2,009,761
10.613
0.001
13.313
0.003
15.272
0.003
92.96
0.02
94.73
0.01
92.75
0.02
2,144.6
0.7
293
null
null
null
null
null
null
null
8
P -1
-P 1
2
- C42 H35 Cl3 F6 N P3 Pt S -
- C42 H30 Cl3 F6 N P3 Pt S -
- C84 H60 Cl6 F12 N2 P6 Pt2 S2 -
2
1
BR1051
Wang, S.; Staples, R.J.; Fackler, J.P.
(Pyridine-2-thiolato-<i>N</i>,<i>S</i>)bis(triphenylphosphine)platinum(II) hexafluorophosphate chloroform solvate
Acta Crystallographica Section C
1,994
50
6
889
891
10.1107/S0108270193011813
0.71073
Mo
null
0.0399
null
null
0.0521
null
null
null
null
1.241
1.241
null
null
null
has coordinates
Wang, S.; Staples, R.J.; Fackler, J.P. (Pyridine-2-thiolato-<i>N</i>,<i>S</i>)bis(triphenylphosphine)platinum(II) hexafluorophosphate chloroform solvate Acta Crystallographica Section C 50(6) (1994) 889-891
278,247
2022-09-28
15:09:32
#------------------------------------------------------------------------------ #$Date: 2022-09-28 18:08:17 +0300 (Wed, 28 Sep 2022) $ #$Revision: 278247 $ #$URL: file:///home/coder/svn-repositories/_RELOADED_COD/cod-reloaded/cif/2/00/97/2009761.cif $ #-------------------------------------------------------------------...
2,009,762
7.904
0.002
9.46
0.002
10.261
0.002
101.2
0.2
92.74
0.02
110.22
0.02
700.7
0.7
295
null
null
null
null
null
null
null
6
P -1
-P 1
2
- C10 H18 Br10 Cu4 N4 O2 -
- C10 H18 Br10 Cu4 N4 O2 -
- C10 H18 Br10 Cu4 N4 O2 -
1
0.5
CD1014
Place, H.; Willett, R.
Bis(4-aminopyridinium) hexabromodicuprate(II) diaquatetrabromodicopper(II)
Acta Crystallographica Section C
1,994
50
6
862
864
10.1107/S0108270193004950
0.71069
Mo
null
0.0604
null
null
0.073
null
null
null
null
1.43
1.43
null
null
null
has coordinates
Place, H.; Willett, R. Bis(4-aminopyridinium) hexabromodicuprate(II) diaquatetrabromodicopper(II) Acta Crystallographica Section C 50(6) (1994) 862-864
278,247
2022-09-28
15:09:32
#------------------------------------------------------------------------------ #$Date: 2022-09-28 18:08:17 +0300 (Wed, 28 Sep 2022) $ #$Revision: 278247 $ #$URL: file:///home/coder/svn-repositories/_RELOADED_COD/cod-reloaded/cif/2/00/97/2009762.cif $ #-------------------------------------------------------------------...
2,009,763
29.868
0.007
12.567
0.004
14.705
0.005
90
null
90
null
90
null
5,520
3
293
null
null
null
null
null
null
null
3
P 21 21 2
P 2 2ab
null
- C29 H43 O11 -
- C29 H39.5 O10.75 -
- C232 H316 O86 -
8
2
CD1053
Hernández-Quiroz, T.; Soriano-García, M.; Rodríguez-Romero, A.; Valencia, C.; Hernández, L.; Aguirre-García, F.
[2α(2<i>S</i>,3<i>S</i>,4<i>R</i>,6<i>R</i>),3β,5α]-14-Hydroxy-19-oxo-3,2-[(tetrahydro-3,4-dihydroxy-6-methyl-2<i>H</i>-pyran-2,3-diyl)bis(oxy)]card-20(22)-enolide dihydrate (calactin), C~29~H~39~O~9~.2H~2~O, a cardenolide from <i>Asclepias linaria</i>
Acta Crystallographica Section C
1,994
50
6
935
938
10.1107/S0108270193010790
1.5418
CuKα
null
0.064
null
null
0.081
null
null
null
null
1.21
1.21
null
null
null
has coordinates
Hernández-Quiroz, T.; Soriano-García, M.; Rodríguez-Romero, A.; Valencia, C.; Hernández, L.; Aguirre-García, F. [2α(2<i>S</i>,3<i>S</i>,4<i>R</i>,6<i>R</i>),3β,5α]-14-Hydroxy-19-oxo-3,2-[(tetrahydro-3,4-dihydroxy-6-methyl-2<i>H</i>-pyran-2,3-diyl)bis(oxy)]card-20(22)-enolide dihydrate (calactin), C~29~H~39~O~9~.2H~2~O,...
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/2/00/97/2009763.cif $ #-------------------------------------------------------------------...
4,321,779
12.526
0.004
16.551
0.006
14.75
0.004
90
null
113.46
0.02
90
null
2,805.2
1.6
296.2
null
296.2
null
null
null
null
null
5
P 1 21/n 1
-P 2yn
14
- C50 H72 Ca2 N4 O20 -
- C50 H72 Ca2 N4 O20 -
- C100 H144 Ca4 N8 O40 -
2
0.5
Norikazu Ueyama; Jiro Takeda; Yusuke Yamada; Akira Onoda; Taka-aki Okamura; Akira Nakamura
Dinuclear Calcium Complexes with Intramolecularly NH...O Hydrogen-Bonded Dicarboxylate Ligands
Inorganic Chemistry
1,999
38
475
478
10.1021/ic981055t
0.7107
MoKα
null
0.0594
null
null
0.0688
null
null
null
null
1.843
1.843
null
null
null
has coordinates
Norikazu Ueyama; Jiro Takeda; Yusuke Yamada; Akira Onoda; Taka-aki Okamura; Akira Nakamura Dinuclear Calcium Complexes with Intramolecularly NH...O Hydrogen-Bonded Dicarboxylate Ligands Inorganic Chemistry 38 (1999) 475-478
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/4/32/17/4321779.cif $ #-------------------------------------------------------------------...
2,009,764
8.238
0.002
8.968
0.002
25.165
0.005
90
null
90
null
90
null
1,859.1
0.7
296
null
null
null
null
null
null
null
4
P 21 21 21
P 2ac 2ab
null
- C10 H11 N O -
- C10 H11 N O -
- C80 H88 N8 O8 -
8
2
CR1055
Pollagi, T.P.; Geib, S.J.; Hopkins, M.D.
2-Methyl-4-(4-pyridyl)-3-butyn-2-ol: a two-dimensional hydrogen-bond network
Acta Crystallographica Section C
1,994
50
6
910
913
10.1107/S0108270193010455
1.54178
CuKα
null
0.0664
null
null
0.0971
null
null
null
null
1.11
1.11
null
null
null
has coordinates
Pollagi, T.P.; Geib, S.J.; Hopkins, M.D. 2-Methyl-4-(4-pyridyl)-3-butyn-2-ol: a two-dimensional hydrogen-bond network Acta Crystallographica Section C 50(6) (1994) 910-913
301,791
2025-08-18
23:15:34
#------------------------------------------------------------------------------ #$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/2/00/97/2009764.cif $ #-------------------------------------------------------------------...
2,009,765
7.0557
0.0007
7.0557
0.0007
12.9669
0.0009
90
null
90
null
120
null
559.05
0.09
296
null
null
null
null
null
null
null
5
P 31 2 1
P 31 2"
152
- H2 La Na O9 S2 -
- H2 La Na O10 S2 -
- H6 La3 Na3 O30 S6 -
3
0.5
CR1065
Blackburn, A.C.; Gerkin, R.E.
Sodium lanthanum(III) sulfate monohydrate, NaLa(SO~4~)~2~.H~2~O
Acta Crystallographica Section C
1,994
50
6
835
838
10.1107/S0108270193010066
0.71073
MoKᾱ
null
0.014
null
null
0.024
null
null
null
null
1.39
1.39
null
null
null
has coordinates
Blackburn, A.C.; Gerkin, R.E. Sodium lanthanum(III) sulfate monohydrate, NaLa(SO~4~)~2~.H~2~O Acta Crystallographica Section C 50(6) (1994) 835-838
176,759
2020-10-21
18:00:00
#------------------------------------------------------------------------------ #$Date: 2016-02-19 16:29:56 +0200 (Fri, 19 Feb 2016) $ #$Revision: 176759 $ #$URL: file:///home/coder/svn-repositories/_RELOADED_COD/cod-reloaded/cif/2/00/97/2009765.cif $ #-------------------------------------------------------------------...
2,009,766
13.764
0.005
7.787
0.007
18.047
0.009
90
null
92.83
0.03
90
null
1,932
2
298
null
null
null
null
null
null
null
4
P 1 21/n 1
-P 2yn
14
- C21 H27 N O4 -
- C21 H27 N O4 -
- C84 H108 N4 O16 -
4
1
CR1094
Joseph, S.P.; Comins, D.L.; Singh, P.
An unusual C-4a hydroxylated decahydroquinolone
Acta Crystallographica Section C
1,994
50
6
950
952
10.1107/S0108270193014404
0.71069
MoKα
null
0.048
null
null
0.05
null
null
null
null
1.4
1.4
null
null
null
has coordinates
Joseph, S.P.; Comins, D.L.; Singh, P. An unusual C-4a hydroxylated decahydroquinolone Acta Crystallographica Section C 50(6) (1994) 950-952
301,791
2025-08-18
23:15:34
#------------------------------------------------------------------------------ #$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/2/00/97/2009766.cif $ #-------------------------------------------------------------------...
2,009,767
11.701
0.001
11.067
0.001
10.55
0.001
90
null
90
null
90
null
1,366.2
0.2
295
null
null
null
null
null
null
null
5
C m c e
-C 2ac 2
64
- Cl6 H12 N4 Pt Sn -
- Cl6 H12 N4 Pt Sn -
- Cl24 H48 N16 Pt4 Sn4 -
4
0.25
DU1058
Garnier, E.; El Mouahid, A.; Černák, J.
Tetraammineplatinum(II) hexachlorostannate(IV), [Pt(NH~3~)~4~][SnCl~6~]
Acta Crystallographica Section C
1,994
50
6
845
847
10.1107/S0108270193011990
0.7093
MoKα
null
0.0361
null
null
0.0462
null
null
null
null
2.26
2.26
null
null
null
has coordinates
Garnier, E.; El Mouahid, A.; Černák, J. Tetraammineplatinum(II) hexachlorostannate(IV), [Pt(NH~3~)~4~][SnCl~6~] Acta Crystallographica Section C 50(6) (1994) 845-847
198,528
2020-10-21
18:00:00
#------------------------------------------------------------------------------ #$Date: 2017-07-07 01:54:20 +0300 (Fri, 07 Jul 2017) $ #$Revision: 198528 $ #$URL: file:///home/coder/svn-repositories/_RELOADED_COD/cod-reloaded/cif/2/00/97/2009767.cif $ #-------------------------------------------------------------------...
2,009,768
7.197
0.001
8.27
0.001
22.684
0.001
90
null
90
null
90
null
1,350.1
0.3
291
null
null
null
null
null
null
null
6
P 21 21 21
P 2ac 2ab
null
- C12 H19 B N O2 P -
- C12 H19 B N O2 P -
- C48 H76 B4 N4 O8 P4 -
4
1
DU1059
Brunel, J.M.; Buono, G.; Baldy, A.; Feneau-Dupont, J.; Declercq, J.P.
A (2<i>R</i>,5<i>S</i>)-2-<i>o</i>-anisyl-3-oxa-1-aza-2-phosphabicyclo[3.3.0]octane–borane complex
Acta Crystallographica Section C
1,994
50
6
954
955
10.1107/S0108270193011606
1.5418
CuKα
null
0.054
null
null
0.057
null
null
null
null
0.6
0.6
null
null
null
has coordinates
Brunel, J.M.; Buono, G.; Baldy, A.; Feneau-Dupont, J.; Declercq, J.P. A (2<i>R</i>,5<i>S</i>)-2-<i>o</i>-anisyl-3-oxa-1-aza-2-phosphabicyclo[3.3.0]octane–borane complex Acta Crystallographica Section C 50(6) (1994) 954-955
301,791
2025-08-18
23:15:34
#------------------------------------------------------------------------------ #$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/2/00/97/2009768.cif $ #-------------------------------------------------------------------...
4,321,778
13.594
0.001
23.177
0.002
16.351
0.001
90
null
104.59
0.01
90
null
4,985.6
0.7
173
2
173
2
null
null
null
null
5
P 1 21/c 1
-P 2ybc
14
magnesium tri(tert-butyl)silylphosphandiide
- C13 H28 Mg P Si -
- C13 H28 Mg P Si -
- C156 H336 Mg12 P12 Si12 -
12
3
Matthias Westerhausen; Mathias Krofta; Arno Pfitzner
Synthesis and Structure of Solvent-Free Hexameric Magnesium Tri(tert-butyl)silylphosphandiide
Inorganic Chemistry
1,999
38
598
599
10.1021/ic9810485
0.71073
MoKα
0.0896
0.0756
null
0.2263
0.2139
null
null
null
1.062
1.122
1.122
null
null
null
has coordinates,has disorder
Matthias Westerhausen; Mathias Krofta; Arno Pfitzner Synthesis and Structure of Solvent-Free Hexameric Magnesium Tri(tert-butyl)silylphosphandiide Inorganic Chemistry 38 (1999) 598-599
179,320
2020-10-21
18:00:00
#------------------------------------------------------------------------------ #$Date: 2016-03-23 15:16:56 +0200 (Wed, 23 Mar 2016) $ #$Revision: 179320 $ #$URL: file:///home/coder/svn-repositories/_RELOADED_COD/cod-reloaded/cif/4/32/17/4321778.cif $ #-------------------------------------------------------------------...
2,009,769
4.7833
0.0006
6.9698
0.0008
7.7644
0.0008
89.41
0.01
87.77
0.01
73.16
0.01
247.6
0.7
294
null
null
null
null
null
null
null
4
P -1
-P 1
2
- Cd O14 P4 V2 -
- Cd O14 P4 V2 -
- Cd O14 P4 V2 -
1
0.5
Boudin, S.; Grandin, A.; Leclaire, A.; Borel, M.M.; Raveau, B.
CdV~2~(P~2~O~7~)~2~
Acta Crystallographica Section C
1,994
50
840
842
null
null
0.021
null
null
0.022
null
null
null
null
null
null
null
null
null
has coordinates
Boudin, S.; Grandin, A.; Leclaire, A.; Borel, M.M.; Raveau, B. CdV~2~(P~2~O~7~)~2~ Acta Crystallographica Section C 50 (1994) 840-842
277,834
2022-09-14
16:39:43
#------------------------------------------------------------------------------ #$Date: 2022-09-14 19:38:48 +0300 (Wed, 14 Sep 2022) $ #$Revision: 277834 $ #$URL: file:///home/coder/svn-repositories/_RELOADED_COD/cod-reloaded/cif/2/00/97/2009769.cif $ #-------------------------------------------------------------------...
2,009,770
9.369
0.001
10.762
0.003
11.51
0.001
76.31
0.01
72.18
0.01
64.14
0.02
987
0.3
295
null
null
null
null
null
null
null
4
P -1
-P 1
2
- C18 H29 N5 O3 -
- C18 H28 N5 O3 -
- C36 H56 N10 O6 -
2
1
HA1054
Velmurugan, D.; Govindasamy, L.; Subramanian, E.; Rajendran, T.M.; Kandaswamy, M.
2,6-Bis[(4-methyl-1-piperazinyl)methyl]-4-nitrophenol
Acta Crystallographica Section C
1,994
50
6
931
933
10.1107/S0108270193010273
1.5418
CuKα
null
0.058
null
null
0.073
null
null
null
null
0.574
0.574
null
null
null
has coordinates
Velmurugan, D.; Govindasamy, L.; Subramanian, E.; Rajendran, T.M.; Kandaswamy, M. 2,6-Bis[(4-methyl-1-piperazinyl)methyl]-4-nitrophenol Acta Crystallographica Section C 50(6) (1994) 931-933
278,247
2022-09-28
15:09:32
#------------------------------------------------------------------------------ #$Date: 2022-09-28 18:08:17 +0300 (Wed, 28 Sep 2022) $ #$Revision: 278247 $ #$URL: file:///home/coder/svn-repositories/_RELOADED_COD/cod-reloaded/cif/2/00/97/2009770.cif $ #-------------------------------------------------------------------...
2,009,771
11.426
0.001
16.09
0.001
11.359
0.001
90
null
118.37
0.01
90
null
1,837.5
0.3
296
null
null
null
null
null
null
null
5
P 1 21/a 1
-P 2yab
14
- C18 H21 N5 O3 S -
- C22 H17 N5 O3 S2 -
- C88 H68 N20 O12 S8 -
4
1
HA1059
Das, A. K.; Datta, M.; Mazumdar, S. K.; Bhaumik, G.; Mazumdar, B.; Talapatra, S. K.
2,3-Dihydro-6-hydroxy-1,3-dimethyl-7-propyl-9-(2-thienylmethyl)pyrimido[2,1-<i>f</i>]purine-4,8(1<i>H</i>,9<i>H</i>)-dione
Acta Crystallographica Section C
1,994
50
6
952
954
10.1107/S0108270193011461
1.54178
CuKα
null
0.068
null
null
0.068
null
null
null
null
1.03
1.03
null
null
null
has coordinates
Das, A. K.; Datta, M.; Mazumdar, S. K.; Bhaumik, G.; Mazumdar, B.; Talapatra, S. K. 2,3-Dihydro-6-hydroxy-1,3-dimethyl-7-propyl-9-(2-thienylmethyl)pyrimido[2,1-<i>f</i>]purine-4,8(1<i>H</i>,9<i>H</i>)-dione Acta Crystallographica Section C 50(6) (1994) 952-954
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/2/00/97/2009771.cif $ #-------------------------------------------------------------------...
2,009,772
7.437
0.003
13.176
0.004
6.21
0.002
92
0.03
96.9
0.03
91.76
0.03
603.4
0.4
296
null
296
null
null
null
null
null
4
P -1
-P 1
2
N-(pentafluorobenzylidine)-p-methylaniline
- C14 H8 F5 N -
- C14 H8 F5 N -
- C28 H16 F10 N2 -
2
1
HA1078
Adamson, A.J.; Archambeau, Y.; Banks, R.E.; Beagley, B.; Helliwell, M.; Pritchard, R.G.; Tipping, A.E.
<i>p</i>-Methyl-<i>N</i>-(pentafluorobenzylidene)aniline (1), 1,2,3,4-tetrafluoro-7-methoxyacridine (2), 1,2,3,4,7-pentafluoroacridine (3) and 3-(<i>p</i>-methylanilino)-1,2,4-trifluoro-7-methylacridine (4): four molecules representing key stages in the one-pot synthesis of 1,2,3,4-tetrafluoroacridines by treating pent...
Acta Crystallographica Section C
1,994
50
6
967
971
10.1107/S010827019400003X
0.71069
MoKα
null
0.042
null
null
0.0461
null
null
null
null
1.75
1.75
null
null
null
has coordinates
Adamson, A.J.; Archambeau, Y.; Banks, R.E.; Beagley, B.; Helliwell, M.; Pritchard, R.G.; Tipping, A.E. <i>p</i>-Methyl-<i>N</i>-(pentafluorobenzylidene)aniline (1), 1,2,3,4-tetrafluoro-7-methoxyacridine (2), 1,2,3,4,7-pentafluoroacridine (3) and 3-(<i>p</i>-methylanilino)-1,2,4-trifluoro-7-methylacridine (4): four mole...
301,791
2025-08-18
23:15:34
#------------------------------------------------------------------------------ #$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/2/00/97/2009772.cif $ #-------------------------------------------------------------------...
4,321,777
21.224
0.005
10.7537
0.0008
22.723
0.005
90
null
116.76
0.01
90
null
4,630.8
1.6
293
2
293
2
null
null
null
null
7
P 1 21 1
P 2yb
4
- C18 H37 Co Fe N11 Na O4 -
- C18 H29 Co Fe N11 Na O4 -
- C108 H174 Co6 Fe6 N66 Na6 O24 -
6
3
Paul V. Bernhardt; Manuel Martinez
The First Structurally Characterized Discrete Dinuclear μ-Cyano Hexacyanoferrate Complex
Inorganic Chemistry
1,999
38
424
425
10.1021/ic981019u
0.71073
MoKα
0.1928
0.0923
null
0.3227
0.2453
null
null
null
1.017
1.155
1.155
null
null
null
has coordinates
Paul V. Bernhardt; Manuel Martinez The First Structurally Characterized Discrete Dinuclear μ-Cyano Hexacyanoferrate Complex Inorganic Chemistry 38 (1999) 424-425
179,320
2020-10-21
18:00:00
#------------------------------------------------------------------------------ #$Date: 2016-03-23 15:16:56 +0200 (Wed, 23 Mar 2016) $ #$Revision: 179320 $ #$URL: file:///home/coder/svn-repositories/_RELOADED_COD/cod-reloaded/cif/4/32/17/4321777.cif $ #-------------------------------------------------------------------...
2,009,773
7.366
0.007
12.411
0.002
6.312
0.002
100.13
0.02
94.28
0.05
86.69
0.04
565.9
0.6
295
null
22
null
null
null
null
null
5
P -1
-P 1
2
1,2,3,4-tetrafluoro-7-ethoxyacridine
- C14 H7 F4 N O -
- C14 H7 F4 N O -
- C28 H14 F8 N2 O2 -
2
1
HA1078
Adamson, A.J.; Archambeau, Y.; Banks, R.E.; Beagley, B.; Helliwell, M.; Pritchard, R.G.; Tipping, A.E.
<i>p</i>-Methyl-<i>N</i>-(pentafluorobenzylidene)aniline (1), 1,2,3,4-tetrafluoro-7-methoxyacridine (2), 1,2,3,4,7-pentafluoroacridine (3) and 3-(<i>p</i>-methylanilino)-1,2,4-trifluoro-7-methylacridine (4): four molecules representing key stages in the one-pot synthesis of 1,2,3,4-tetrafluoroacridines by treating pent...
Acta Crystallographica Section C
1,994
50
6
967
971
10.1107/S010827019400003X
1.5418
CuKα
null
0.0779
null
null
0.0883
null
null
null
null
3.237
3.237
null
null
null
has coordinates
Adamson, A.J.; Archambeau, Y.; Banks, R.E.; Beagley, B.; Helliwell, M.; Pritchard, R.G.; Tipping, A.E. <i>p</i>-Methyl-<i>N</i>-(pentafluorobenzylidene)aniline (1), 1,2,3,4-tetrafluoro-7-methoxyacridine (2), 1,2,3,4,7-pentafluoroacridine (3) and 3-(<i>p</i>-methylanilino)-1,2,4-trifluoro-7-methylacridine (4): four mole...
301,791
2025-08-18
23:15:34
#------------------------------------------------------------------------------ #$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/2/00/97/2009773.cif $ #-------------------------------------------------------------------...
4,321,776
13.126
0.001
14.355
0.005
8.472
0.001
90
null
90
null
90
null
1,596.3
0.6
198
null
198
null
null
null
null
null
5
P n m a
-P 2ac 2n
62
- C6 H22 B10 O Si2 -
- C6 H22 B10 O Si2 -
- C24 H88 B40 O4 Si8 -
4
0.5
Francis M. de Rege; Jeremy D. Kassebaum; Brian L. Scott; Kent D. Abney; Gary J. Balaich
Synthesis, Structure, and Reactivity of 1,2-(1',1',2',2'-Tetramethyldisilane-1',2')carborane
Inorganic Chemistry
1,999
38
486
489
10.1021/ic980992y
0.71073
MoKα
0.0731
0.0448
null
0.1181
0.1054
null
null
null
1.162
1.244
1.244
null
null
null
has coordinates
Francis M. de Rege; Jeremy D. Kassebaum; Brian L. Scott; Kent D. Abney; Gary J. Balaich Synthesis, Structure, and Reactivity of 1,2-(1',1',2',2'-Tetramethyldisilane-1',2')carborane Inorganic Chemistry 38 (1999) 486-489
179,320
2020-10-21
18:00:00
#------------------------------------------------------------------------------ #$Date: 2016-03-23 15:16:56 +0200 (Wed, 23 Mar 2016) $ #$Revision: 179320 $ #$URL: file:///home/coder/svn-repositories/_RELOADED_COD/cod-reloaded/cif/4/32/17/4321776.cif $ #-------------------------------------------------------------------...
2,009,774
8.27
0.005
10.721
0.005
5.995
0.002
102.56
0.03
92.6
0.04
83.3
0.03
515.2
0.4
296
null
296
null
null
null
null
null
4
P -1
-P 1
2
1,2,3,4,7-pentafluoroacridine
- C13 H4 F5 N -
- C13 H4 F5 N -
- C26 H8 F10 N2 -
2
1
HA1078
Adamson, A.J.; Archambeau, Y.; Banks, R.E.; Beagley, B.; Helliwell, M.; Pritchard, R.G.; Tipping, A.E.
<i>p</i>-Methyl-<i>N</i>-(pentafluorobenzylidene)aniline (1), 1,2,3,4-tetrafluoro-7-methoxyacridine (2), 1,2,3,4,7-pentafluoroacridine (3) and 3-(<i>p</i>-methylanilino)-1,2,4-trifluoro-7-methylacridine (4): four molecules representing key stages in the one-pot synthesis of 1,2,3,4-tetrafluoroacridines by treating pent...
Acta Crystallographica Section C
1,994
50
6
967
971
10.1107/S010827019400003X
0.71069
MoKα
null
0.0447
null
null
0.0531
null
null
null
null
2.145
2.145
null
null
null
has coordinates
Adamson, A.J.; Archambeau, Y.; Banks, R.E.; Beagley, B.; Helliwell, M.; Pritchard, R.G.; Tipping, A.E. <i>p</i>-Methyl-<i>N</i>-(pentafluorobenzylidene)aniline (1), 1,2,3,4-tetrafluoro-7-methoxyacridine (2), 1,2,3,4,7-pentafluoroacridine (3) and 3-(<i>p</i>-methylanilino)-1,2,4-trifluoro-7-methylacridine (4): four mole...
301,791
2025-08-18
23:15:34
#------------------------------------------------------------------------------ #$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/2/00/97/2009774.cif $ #-------------------------------------------------------------------...
4,321,775
6.92
0.005
8.797
0.005
7.053
0.002
90
null
115.49
0.03
90
null
387.6
0.4
200
null
200
null
null
null
null
null
4
P 1 2/m 1
-P 2y
10
- C6 H22 B10 Si2 -
- C6 H22 B10 Si2 -
- C6 H22 B10 Si2 -
1
0.25
Francis M. de Rege; Jeremy D. Kassebaum; Brian L. Scott; Kent D. Abney; Gary J. Balaich
Synthesis, Structure, and Reactivity of 1,2-(1',1',2',2'-Tetramethyldisilane-1',2')carborane
Inorganic Chemistry
1,999
38
486
489
10.1021/ic980992y
0.71073
MoKα
0.1261
0.064
null
0.1443
0.1189
null
null
null
1.088
1.248
1.248
null
null
null
has coordinates
Francis M. de Rege; Jeremy D. Kassebaum; Brian L. Scott; Kent D. Abney; Gary J. Balaich Synthesis, Structure, and Reactivity of 1,2-(1',1',2',2'-Tetramethyldisilane-1',2')carborane Inorganic Chemistry 38 (1999) 486-489
179,320
2020-10-21
18:00:00
#------------------------------------------------------------------------------ #$Date: 2016-03-23 15:16:56 +0200 (Wed, 23 Mar 2016) $ #$Revision: 179320 $ #$URL: file:///home/coder/svn-repositories/_RELOADED_COD/cod-reloaded/cif/4/32/17/4321775.cif $ #-------------------------------------------------------------------...
2,009,775
5.871
0.004
7.889
0.003
34.83
0.009
90
null
91.23
0.04
90
null
1,612.8
1.3
296
null
296
null
null
null
null
null
4
P 1 21/c 1
-P 2ybc
14
3-p-methylanilino-1,2,4-trifluoro-7-methylacridine
- C21 H15 F3 N2 -
- C21 H15 F3 N2 -
- C84 H60 F12 N8 -
4
1
HA1078
Adamson, A.J.; Archambeau, Y.; Banks, R.E.; Beagley, B.; Helliwell, M.; Pritchard, R.G.; Tipping, A.E.
<i>p</i>-Methyl-<i>N</i>-(pentafluorobenzylidene)aniline (1), 1,2,3,4-tetrafluoro-7-methoxyacridine (2), 1,2,3,4,7-pentafluoroacridine (3) and 3-(<i>p</i>-methylanilino)-1,2,4-trifluoro-7-methylacridine (4): four molecules representing key stages in the one-pot synthesis of 1,2,3,4-tetrafluoroacridines by treating pent...
Acta Crystallographica Section C
1,994
50
6
967
971
10.1107/S010827019400003X
0.71069
MoKα
null
0.0683
null
null
0.0662
null
null
null
null
4.253
4.253
null
null
null
has coordinates
Adamson, A.J.; Archambeau, Y.; Banks, R.E.; Beagley, B.; Helliwell, M.; Pritchard, R.G.; Tipping, A.E. <i>p</i>-Methyl-<i>N</i>-(pentafluorobenzylidene)aniline (1), 1,2,3,4-tetrafluoro-7-methoxyacridine (2), 1,2,3,4,7-pentafluoroacridine (3) and 3-(<i>p</i>-methylanilino)-1,2,4-trifluoro-7-methylacridine (4): four mole...
301,791
2025-08-18
23:15:34
#------------------------------------------------------------------------------ #$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/2/00/97/2009775.cif $ #-------------------------------------------------------------------...
2,009,776
13.322
0.004
5.367
0.002
16.266
0.005
90
null
112.88
0.02
90
null
1,071.5
0.6
160
1
160
1
null
null
null
null
4
P 1 21 1
P 2yb
4
benzyl 2(S)-[(tert-butoxycarbonyl)amino]-4-oxo-6-phenyl-(E)-hex-5-enoate
- C24 H27 N O5 -
- C24 H27 N O5 -
- C48 H54 N2 O10 -
2
1
HA1079
Clegg, William; Jackson, Richard F.W.; O'Neil, Paul A.; Wishart, Neil
An enantiomerically pure 4-oxo-α-amino acid derivative
Acta Crystallographica Section C
1,994
50
6
965
967
10.1107/S0108270194000041
0.71073
MoKα
0.0506
0.0341
null
0.0924
0.0822
null
null
null
1.062
1.048
1.048
null
null
null
has coordinates
Clegg, William; Jackson, Richard F.W.; O'Neil, Paul A.; Wishart, Neil An enantiomerically pure 4-oxo-α-amino acid derivative Acta Crystallographica Section C 50(6) (1994) 965-967
301,791
2025-08-18
23:15:34
#------------------------------------------------------------------------------ #$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/2/00/97/2009776.cif $ #-------------------------------------------------------------------...
2,009,777
7.7221
0.0008
14.915
0.002
11.8191
0.0014
90
null
95.351
0.009
90
null
1,355.3
0.3
293
null
293
null
null
null
null
null
4
P 1 21/c 1
-P 2ybc
14
Diphenyl(4-pyridyl)methanol
Diphenyl(4-pyridyl)methanol
- C18 H15 N O -
- C18 H15 N O -
- C72 H60 N4 O4 -
4
1
HA1086
Glidewell, Christopher; Ferguson, George
Molecules isoelectronic with triphenylmethanol: diphenyl(4-pyridyl)methanol and triphenylmethylamine
Acta Crystallographica Section C
1,994
50
6
924
928
10.1107/S0108270193014209
0.71067
MoKα
0.141
0.043
null
0.065
0.049
null
null
null
null
1.19
1.19
null
null
null
has coordinates
Glidewell, Christopher; Ferguson, George Molecules isoelectronic with triphenylmethanol: diphenyl(4-pyridyl)methanol and triphenylmethylamine Acta Crystallographica Section C 50(6) (1994) 924-928
301,791
2025-08-18
23:15:34
#------------------------------------------------------------------------------ #$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/2/00/97/2009777.cif $ #-------------------------------------------------------------------...
2,009,778
6.0541
0.0005
13.4943
0.0013
17.603
0.002
90
null
90
null
90
null
1,438.1
0.2
293
null
293
null
null
null
null
null
3
P 21 21 21
P 2ac 2ab
19
triphenylmethylamine
Triphenylmethylamine
- C19 H17 N -
- C19 H17 N -
- C76 H68 N4 -
4
1
HA1086
Glidewell, Christopher; Ferguson, George
Molecules isoelectronic with triphenylmethanol: diphenyl(4-pyridyl)methanol and triphenylmethylamine
Acta Crystallographica Section C
1,994
50
6
924
928
10.1107/S0108270193014209
0.71067
MoKα
0.053
0.029
null
0.046
0.044
null
null
null
null
1.19
1.19
null
null
null
has coordinates
Glidewell, Christopher; Ferguson, George Molecules isoelectronic with triphenylmethanol: diphenyl(4-pyridyl)methanol and triphenylmethylamine Acta Crystallographica Section C 50(6) (1994) 924-928
301,791
2025-08-18
23:15:34
#------------------------------------------------------------------------------ #$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/2/00/97/2009778.cif $ #-------------------------------------------------------------------...
4,321,774
18.03
0.001
14.5108
0.0007
23.221
0.001
90
null
112.778
0.004
90
null
5,601.5
0.5
213
2
213
2
null
null
null
null
synthesized
5
P 1 21/n 1
-P 2yn
14
Bis(μ2-bis(diphenylphosphino)methane-P,P')-tetrachloro- -di-molybdenum(II), dichloromethane solvate
- C52 H48 Cl8 Mo2 P4 -
- C52 H44 Cl8 Mo2 P4 -
- C208 H176 Cl32 Mo8 P16 -
4
1
F. Albert Cotton; Evgeny V. Dikarev; Santiago Herrero
Mixed Chloride/Amine Complexes of Dimolybdenum(II,II). 2. Reactions of Mo2Cl4(NHEt2)4 with Monodentate and Bidentate Phosphines. New Type of Compounds Mo2Cl4(diphosphine)4
Inorganic Chemistry
1,999
38
490
495
10.1021/ic980972w
0.71073
MoKα
0.0624
0.058
null
0.1657
0.1587
null
null
null
1.102
1.107
1.107
null
null
null
has coordinates,has disorder
F. Albert Cotton; Evgeny V. Dikarev; Santiago Herrero Mixed Chloride/Amine Complexes of Dimolybdenum(II,II). 2. Reactions of Mo2Cl4(NHEt2)4 with Monodentate and Bidentate Phosphines. New Type of Compounds Mo2Cl4(diphosphine)4 Inorganic Chemistry 38 (1999) 490-495
179,320
2020-10-21
18:00:00
#------------------------------------------------------------------------------ #$Date: 2016-03-23 15:16:56 +0200 (Wed, 23 Mar 2016) $ #$Revision: 179320 $ #$URL: file:///home/coder/svn-repositories/_RELOADED_COD/cod-reloaded/cif/4/32/17/4321774.cif $ #-------------------------------------------------------------------...
2,009,779
7.149
0.002
12.1026
0.0011
7.8726
0.0008
90
null
99.54
0.02
90
null
671.7
0.2
293
null
293
null
null
null
null
null
3
P 1 21/n 1
-P 2yn
14
2,2'-dimethoxydibenzyl
- C16 H18 O2 -
- C16 H18 O2 -
- C32 H36 O4 -
2
0.5
HA1088
Ross, Jennifer-Nicola; Wardell, James; Ferguson, George; Low, John N
2,2'-Dimethoxybibenzyl
Acta Crystallographica Section C
1,994
50
6
976
977
10.1107/S0108270193014544
0.7093
MoKα
0.066
0.044
null
0.072
0.069
null
null
null
null
2.11
2.11
null
null
null
has coordinates
Ross, Jennifer-Nicola; Wardell, James; Ferguson, George; Low, John N 2,2'-Dimethoxybibenzyl Acta Crystallographica Section C 50(6) (1994) 976-977
301,791
2025-08-18
23:15:34
#------------------------------------------------------------------------------ #$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/2/00/97/2009779.cif $ #-------------------------------------------------------------------...
2,009,780
13.34
0.002
10.109
0.002
17.589
0.003
90
null
90
null
90
null
2,371.9
0.7
294
null
null
null
null
null
null
null
5
P b c n
null
- C26 H16 Mn N6 S2 -
- C26 H16 Mn N6 S2 -
- C104 H64 Mn4 N24 S8 -
4
0.5
HH1078
Holleman, Susan R.; Parker, O. Jerry; Breneman, Gary L.
<i>cis</i>-Diisothiocyanatobis(1,10-phenanthroline)manganese(II), [Mn(NCS)~2~(C~12~H~8~N~2~)~2~]
Acta Crystallographica Section C
1,994
50
6
867
869
10.1107/S0108270193012892
0.71073
MoKα
null
0.036
null
null
0.043
null
null
null
null
1.52
1.52
null
null
null
has coordinates
Holleman, Susan R.; Parker, O. Jerry; Breneman, Gary L. <i>cis</i>-Diisothiocyanatobis(1,10-phenanthroline)manganese(II), [Mn(NCS)~2~(C~12~H~8~N~2~)~2~] Acta Crystallographica Section C 50(6) (1994) 867-869
301,791
2025-08-18
23:15:34
#------------------------------------------------------------------------------ #$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/2/00/97/2009780.cif $ #-------------------------------------------------------------------...
2,009,781
15.743
0.005
57.01
0.03
3.962
0.001
90
null
90
null
90
null
3,556
2
296
null
null
null
null
null
null
null
6
F d d 2
F 2 -2d
43
- C12 H12 Br2 Cd N4 O6 -
- C12 H12 Br2 Cd N4 O6 -
- C96 H96 Br16 Cd8 N32 O48 -
8
0.5
HL1040
Hu, S.-Z.; Shi, D.-S.; Huang, Y.-Q.; Li, S.-X.; Yang, Y.-C.
A 1:2 addition compound of cadmium bromide with 3-methyl-4-nitropyridine <i>N</i>-oxide
Acta Crystallographica Section C
1,994
50
6
893
895
10.1107/S0108270193011473
0.71073
MoKα
null
0.036
null
null
0.038
null
null
null
null
1.208
1.208
null
null
null
has coordinates
Hu, S.-Z.; Shi, D.-S.; Huang, Y.-Q.; Li, S.-X.; Yang, Y.-C. A 1:2 addition compound of cadmium bromide with 3-methyl-4-nitropyridine <i>N</i>-oxide Acta Crystallographica Section C 50(6) (1994) 893-895
277,834
2022-09-14
16:39:43
#------------------------------------------------------------------------------ #$Date: 2022-09-14 19:38:48 +0300 (Wed, 14 Sep 2022) $ #$Revision: 277834 $ #$URL: file:///home/coder/svn-repositories/_RELOADED_COD/cod-reloaded/cif/2/00/97/2009781.cif $ #-------------------------------------------------------------------...
2,009,782
11.045
0.003
21.031
0.003
23.151
0.003
102.99
0.02
102.47
0.02
103.06
0.02
4,898.9
1.9
298
null
null
null
null
null
null
null
6
P -1
-P 1
2
- C54 H44 Ir N3 O2 P4 -
- C54 H44 Ir N3 O2 P4 -
- C216 H176 Ir4 N12 O8 P16 -
4
2
HU1055
Wang, J.-C.; Chou, L.-Y.; Hsien, W.-Y.; Liu, L.-K.
[Ir(dppm)~2~(O~2~)](C~4~N~3~)
Acta Crystallographica Section C
1,994
50
6
879
882
10.1107/S0108270193010923
0.71073
MoKα
null
0.057
null
null
0.07
null
null
null
null
1.816
1.816
null
null
null
has coordinates
Wang, J.-C.; Chou, L.-Y.; Hsien, W.-Y.; Liu, L.-K. [Ir(dppm)~2~(O~2~)](C~4~N~3~) Acta Crystallographica Section C 50(6) (1994) 879-882
278,247
2022-09-28
15:09:32
#------------------------------------------------------------------------------ #$Date: 2022-09-28 18:08:17 +0300 (Wed, 28 Sep 2022) $ #$Revision: 278247 $ #$URL: file:///home/coder/svn-repositories/_RELOADED_COD/cod-reloaded/cif/2/00/97/2009782.cif $ #-------------------------------------------------------------------...
2,009,783
13.488
0.006
13.488
0.006
65.5
0.03
90
null
90
null
120
null
10,320
8
108
2
108
2
null
null
null
null
7
R -3 c :H
-R 3 2"c
167
(μ~3~-iodo)(μ~3~-tetraselenidotungstide)tris(dimethylphenylphosphinesilver)
- C24 H33 Ag3 I P3 Se4 W -
- C24 H33 Ag3 I P3 Se4 W -
- C288 H396 Ag36 I12 P36 Se48 W12 -
12
0.333333
HU1076
Ansari, Mohammad A.; Bollinger, John C.; Christuk, Christopher C.; Ibers, James A.
Synthesis and structure of [(μ~3~-I)(μ~3~-WSe~4~){Ag(PMe~2~Ph)}~3~]
Acta Crystallographica Section C
1,994
50
6
869
871
10.1107/S0108270193012338
0.7093
MoKα~1~
0.074
0.05
null
0.129
0.121
null
null
null
1.35
1.47
1.47
null
null
null
has coordinates
Ansari, Mohammad A.; Bollinger, John C.; Christuk, Christopher C.; Ibers, James A. Synthesis and structure of [(μ~3~-I)(μ~3~-WSe~4~){Ag(PMe~2~Ph)}~3~] Acta Crystallographica Section C 50(6) (1994) 869-871
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/2/00/97/2009783.cif $ #-------------------------------------------------------------------...
2,009,784
6.562
0.001
13.583
0.003
22.488
0.004
90
null
90
null
90
null
2,004.4
0.6
293
2
293
2
null
null
null
null
3
P 21 21 21
P 2ac 2ab
19
3-methoxy-16,16-dimethyl-5α-andrstan-17-one
- C22 H36 O2 -
- C22 H36 O2 -
- C88 H144 O8 -
4
1
KA1056
Wölfling, János; Schneider, Gyula; Noltemeyer, Mathias; Tietze, Lutz F.
3-Methoxy-16,16-dimethyl-5α-androstan-17-one
Acta Crystallographica Section C
1,994
50
6
964
965
10.1107/S0108270193012557
0.71072
MoKα
0.0445
0.0363
null
0.1105
0.096
null
null
null
1.037
0.968
0.968
null
null
null
has coordinates
Wölfling, János; Schneider, Gyula; Noltemeyer, Mathias; Tietze, Lutz F. 3-Methoxy-16,16-dimethyl-5α-androstan-17-one Acta Crystallographica Section C 50(6) (1994) 964-965
301,791
2025-08-18
23:15:34
#------------------------------------------------------------------------------ #$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/2/00/97/2009784.cif $ #-------------------------------------------------------------------...
4,321,773
12.699
0.002
12.699
0.002
16.015
0.004
90
null
90
null
90
null
2,582.7
0.9
173
2
173
2
null
null
null
null
synthesized
5
I -4
I -4
82
Bis(μ2-bis(dimethylphosphino)methane-P,P')-tetrachloro- -di-molybdenum(II), hexane solvate
- C13 H35 Cl4 Mo2 P4 -
- C13 H35 Cl4 Mo2 P4 -
- C52 H140 Cl16 Mo8 P16 -
4
0.5
F. Albert Cotton; Evgeny V. Dikarev; Santiago Herrero
Mixed Chloride/Amine Complexes of Dimolybdenum(II,II). 2. Reactions of Mo2Cl4(NHEt2)4 with Monodentate and Bidentate Phosphines. New Type of Compounds Mo2Cl4(diphosphine)4
Inorganic Chemistry
1,999
38
490
495
10.1021/ic980972w
0.71073
MoKα
0.0496
0.0308
null
0.0866
0.0785
null
null
null
1.053
1.102
1.102
null
null
null
has coordinates
F. Albert Cotton; Evgeny V. Dikarev; Santiago Herrero Mixed Chloride/Amine Complexes of Dimolybdenum(II,II). 2. Reactions of Mo2Cl4(NHEt2)4 with Monodentate and Bidentate Phosphines. New Type of Compounds Mo2Cl4(diphosphine)4 Inorganic Chemistry 38 (1999) 490-495
179,320
2020-10-21
18:00:00
#------------------------------------------------------------------------------ #$Date: 2016-03-23 15:16:56 +0200 (Wed, 23 Mar 2016) $ #$Revision: 179320 $ #$URL: file:///home/coder/svn-repositories/_RELOADED_COD/cod-reloaded/cif/4/32/17/4321773.cif $ #-------------------------------------------------------------------...
2,009,785
4.733
0.001
17.305
0.001
19.243
0.001
90
null
90
null
90
null
1,576.1
0.4
293
null
null
null
null
null
null
null
7
P 21 21 21
P 2ac 2ab
null
- C9 H13.5 Br N3 Na O9.25 P -
- C9 H11 Br N3 Na O11 P -
- C36 H44 Br4 N12 Na4 O44 P4 -
4
1
LI1008
Mande, S.S.; Seshadri, T.P.; Viswamitra, M.A.
Effects of halogen substitution in nucleic acid components. Structure of sodium 5-bromocytidine 5'-phosphate hydrate
Acta Crystallographica Section C
1,994
50
6
876
879
10.1107/S010827019300945X
1.5418
Cu
null
0.044
null
null
0.049
null
null
null
null
0.62
0.62
null
null
null
has coordinates
Mande, S.S.; Seshadri, T.P.; Viswamitra, M.A. Effects of halogen substitution in nucleic acid components. Structure of sodium 5-bromocytidine 5'-phosphate hydrate Acta Crystallographica Section C 50(6) (1994) 876-879
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/2/00/97/2009785.cif $ #-------------------------------------------------------------------...
2,009,786
8.674
0.001
13.293
0.001
12.67
0.003
90
null
92.55
0.02
90
null
1,459.4
0.4
292
null
null
null
null
null
null
null
4
P 1 21/c 1
-P 2ybc
null
- C15 H15 N O5 -
- C15 H15 N O5 -
- C60 H60 N4 O20 -
4
1
LI1067
Zukerman-Schpector, J.; Pinto, A.Da.C.; Da Silva, J.F.M.; Barcellos, M.T.F.C.; Pires, S.S.; Fraiz, S.V. Jr
Diethyl (2,3-dihydro-2-oxo-3-indolylidene)propanedioate
Acta Crystallographica Section C
1,994
50
6
945
946
10.1107/S0108270193011369
0.71073
MoKα
null
0.06
null
null
0.067
null
null
null
null
2.06
2.06
null
null
null
has coordinates
Zukerman-Schpector, J.; Pinto, A.Da.C.; Da Silva, J.F.M.; Barcellos, M.T.F.C.; Pires, S.S.; Fraiz, S.V. Jr Diethyl (2,3-dihydro-2-oxo-3-indolylidene)propanedioate Acta Crystallographica Section C 50(6) (1994) 945-946
301,791
2025-08-18
23:15:34
#------------------------------------------------------------------------------ #$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/2/00/97/2009786.cif $ #-------------------------------------------------------------------...
2,009,787
10.257
0.003
16.941
0.007
14.13
0.007
90
null
90
null
90
null
2,455.3
1.7
293
null
null
null
null
null
null
null
6
P b c a
-P 2ac 2ab
61
- C H7 Ga3 N O13 P3 -
- C H6 Ga3 N O13 P3 -
- C8 H48 Ga24 N8 O104 P24 -
8
1
LI1069
Glasser, F.P.; Howie, R.A.; Kan, Q.
Methylammonium tris(galliophosphate)hydroxide
Acta Crystallographica Section C
1,994
50
6
848
850
10.1107/S0108270193011163
0.71005
MoKα
null
0.031
null
null
0.057
null
null
null
null
1.0561
1.0561
null
null
null
has coordinates
Glasser, F.P.; Howie, R.A.; Kan, Q. Methylammonium tris(galliophosphate)hydroxide Acta Crystallographica Section C 50(6) (1994) 848-850
192,203
2020-10-21
18:00:00
#------------------------------------------------------------------------------ #$Date: 2017-02-17 03:42:24 +0200 (Fri, 17 Feb 2017) $ #$Revision: 192203 $ #$URL: file:///home/coder/svn-repositories/_RELOADED_COD/cod-reloaded/cif/2/00/97/2009787.cif $ #-------------------------------------------------------------------...
2,009,788
5.9826
0.0009
10.1528
0.0007
21.785
0.003
90
null
90
null
90
null
1,323.2
0.3
293
null
293
null
null
null
null
null
4
P 21 21 21
P 2ac 2ab
19
1-Ferrocenyl-2,2-methylpropan-1-ol
1-Ferrocenyl-2,2-methylpropan-1-ol #93-28cg C~5~H~5~-Fe-C~5~H~4~-CH(OH)-t-Bu
- C15 H20 Fe O -
- C15 H20 Fe O -
- C60 H80 Fe4 O4 -
4
1
LI1086
Li, Yiwei; Ferguson, George; Glidewell, Christopher; Zakaria, Choudhury M.
Hydrogen bonding in ferrocene derivatives: structures of 1-ferrocenyl-2,2-dimethylpropan-1-ol and 2,2'-(1,1'-ferrocenediyl)di(propan-2-ol)
Acta Crystallographica Section C
1,994
50
6
857
861
10.1107/S0108270193013654
0.71067
MoKα
0.056
0.032
null
0.046
0.04
null
null
null
null
0.99
0.99
null
null
null
has coordinates,has disorder
Li, Yiwei; Ferguson, George; Glidewell, Christopher; Zakaria, Choudhury M. Hydrogen bonding in ferrocene derivatives: structures of 1-ferrocenyl-2,2-dimethylpropan-1-ol and 2,2'-(1,1'-ferrocenediyl)di(propan-2-ol) Acta Crystallographica Section C 50(6) (1994) 857-861
190,523
2020-10-21
18:00:00
#------------------------------------------------------------------------------ #$Date: 2017-01-14 22:33:54 +0200 (Sat, 14 Jan 2017) $ #$Revision: 190523 $ #$URL: file:///home/coder/svn-repositories/_RELOADED_COD/cod-reloaded/cif/2/00/97/2009788.cif $ #-------------------------------------------------------------------...
2,009,789
7.1486
0.0004
12.4464
0.0008
16.4802
0.0009
90
null
97.609
0.004
90
null
1,453.4
0.15
293
null
293
null
null
null
null
null
4
P 1 21/n 1
-P 2yn
14
2,2'-(Ferrocene-1,1'-diyl)di(propan-2-ol)
2,2'-(Ferrocene-1,1'-diyl)di(propan-2-ol) # Fe[C~5~H~4~-CMe~2~-OH]2
- C16 H22 Fe O2 -
- C16 H22 Fe O2 -
- C64 H88 Fe4 O8 -
4
1
LI1086
Li, Yiwei; Ferguson, George; Glidewell, Christopher; Zakaria, Choudhury M.
Hydrogen bonding in ferrocene derivatives: structures of 1-ferrocenyl-2,2-dimethylpropan-1-ol and 2,2'-(1,1'-ferrocenediyl)di(propan-2-ol)
Acta Crystallographica Section C
1,994
50
6
857
861
10.1107/S0108270193013654
0.710069
MoKα
0.031
0.026
null
0.045
0.044
null
null
null
null
1.64
1.64
null
null
null
has coordinates
Li, Yiwei; Ferguson, George; Glidewell, Christopher; Zakaria, Choudhury M. Hydrogen bonding in ferrocene derivatives: structures of 1-ferrocenyl-2,2-dimethylpropan-1-ol and 2,2'-(1,1'-ferrocenediyl)di(propan-2-ol) Acta Crystallographica Section C 50(6) (1994) 857-861
190,440
2020-10-21
18:00:00
#------------------------------------------------------------------------------ #$Date: 2017-01-12 15:32:32 +0200 (Thu, 12 Jan 2017) $ #$Revision: 190440 $ #$URL: file:///home/coder/svn-repositories/_RELOADED_COD/cod-reloaded/cif/2/00/97/2009789.cif $ #-------------------------------------------------------------------...
4,321,772
12.396
0.001
12.396
0.001
21.96
0.002
90
null
90
null
120
null
2,922.3
0.4
293
2
293
2
null
null
null
null
synthesized
5
P 64 2 2
P 64 2 (0 0 2)
181
Tetrachloro-tetrakis(bis(dimethylphosphino)methane-P)- -di-molybdenum(II)
- C20 H56 Cl4 Mo2 P8 -
- C20 H56 Cl4 Mo2 P8 -
- C60 H168 Cl12 Mo6 P24 -
3
0.25
F. Albert Cotton; Evgeny V. Dikarev; Santiago Herrero
Mixed Chloride/Amine Complexes of Dimolybdenum(II,II). 2. Reactions of Mo2Cl4(NHEt2)4 with Monodentate and Bidentate Phosphines. New Type of Compounds Mo2Cl4(diphosphine)4
Inorganic Chemistry
1,999
38
490
495
10.1021/ic980972w
1.54184
CuKα
0.0373
0.0335
null
0.0918
0.0891
null
null
null
1.088
1.096
1.096
null
null
null
has coordinates
F. Albert Cotton; Evgeny V. Dikarev; Santiago Herrero Mixed Chloride/Amine Complexes of Dimolybdenum(II,II). 2. Reactions of Mo2Cl4(NHEt2)4 with Monodentate and Bidentate Phosphines. New Type of Compounds Mo2Cl4(diphosphine)4 Inorganic Chemistry 38 (1999) 490-495
179,320
2020-10-21
18:00:00
#------------------------------------------------------------------------------ #$Date: 2016-03-23 15:16:56 +0200 (Wed, 23 Mar 2016) $ #$Revision: 179320 $ #$URL: file:///home/coder/svn-repositories/_RELOADED_COD/cod-reloaded/cif/4/32/17/4321772.cif $ #-------------------------------------------------------------------...
2,009,790
9.333
0.011
9.183
0.008
9.162
0.007
88.45
0.06
102.57
0.02
93.76
0.04
764.7
1.3
293
2
293
2
null
null
null
null
7
P -1
-P 1
2
AlPO4-CHA
- C4 H10 Al3 F N O13 P3 -
- C4 H10 Al3 F N O13 P3 -
- C8 H20 Al6 F2 N2 O26 P6 -
2
1
LI1095
Harding, Marjorie M.; Kariuki, B. M.
Microcrystal structure determination of AlPO~4~-CHA using synchrotron radiation
Acta Crystallographica Section C
1,994
50
6
852
854
10.1107/S0108270194000326
0.895
Synchrotron
0.1388
0.0806
null
0.2097
0.1889
null
null
null
0.838
1.144
1.144
null
null
null
has coordinates
Harding, Marjorie M.; Kariuki, B. M. Microcrystal structure determination of AlPO~4~-CHA using synchrotron radiation Acta Crystallographica Section C 50(6) (1994) 852-854
176,759
2020-10-21
18:00:00
#------------------------------------------------------------------------------ #$Date: 2016-02-19 16:29:56 +0200 (Fri, 19 Feb 2016) $ #$Revision: 176759 $ #$URL: file:///home/coder/svn-repositories/_RELOADED_COD/cod-reloaded/cif/2/00/97/2009790.cif $ #-------------------------------------------------------------------...
2,009,791
7.871
0.007
10.233
0.004
13.318
0.002
90
null
102.4
0.09
90
null
1,047.7
1.1
298
null
null
null
null
null
null
null
5
P 1 21/n 1
-P 2yn
14
- C6 H10 N4 O6 Zn -
- C6 H10 N4 O6 Zn -
- C24 H40 N16 O24 Zn4 -
4
1
MU1067
Menabue, L.; Saladini, M.
<i>catena</i>-Poly[zinc(II)-bis{μ-(<i>N</i>-carbamoylglycinato)}-<i>O</i>:<i>O</i>'';<i>O</i>'':<i>O</i>], [Zn(C~3~H~5~N~2~O~3~)~2~]
Acta Crystallographica Section C
1,994
50
6
887
889
10.1107/S0108270193011564
0.71069
MoKα
null
0.048
null
null
0.048
null
null
null
null
null
null
null
null
null
has coordinates
Menabue, L.; Saladini, M. <i>catena</i>-Poly[zinc(II)-bis{μ-(<i>N</i>-carbamoylglycinato)}-<i>O</i>:<i>O</i>'';<i>O</i>'':<i>O</i>], [Zn(C~3~H~5~N~2~O~3~)~2~] Acta Crystallographica Section C 50(6) (1994) 887-889
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/2/00/97/2009791.cif $ #-------------------------------------------------------------------...
2,009,792
36.378
0.007
15.89
0.003
12.115
0.002
90
null
102.07
0.03
90
null
6,848
2
298
null
null
null
null
null
null
null
6
C 1 2/c 1
-C 2yc
null
- C36 H25 Cl2 Fe N6 O9 -
- C36 H24 Cl1.5 Fe N6 O8.25 -
- C288 H192 Cl12 Fe8 N48 O66 -
8
1
MU1068
Koh, L. L.; Xu, Y.; Hsieh, A. K.; Song, B.; Wu, F.; Liangnian, J.
Tris(1,10-phenanthroline)iron(II) diperchlorate hemihydrate
Acta Crystallographica Section C
1,994
50
6
884
886
10.1107/S0108270193011618
0.71073
MoKα
null
0.08
null
null
0.081
null
null
null
null
1.71
1.71
null
null
null
has coordinates
Koh, L. L.; Xu, Y.; Hsieh, A. K.; Song, B.; Wu, F.; Liangnian, J. Tris(1,10-phenanthroline)iron(II) diperchlorate hemihydrate Acta Crystallographica Section C 50(6) (1994) 884-886
191,977
2020-10-21
18:00:00
#------------------------------------------------------------------------------ #$Date: 2017-02-10 18:21:58 +0200 (Fri, 10 Feb 2017) $ #$Revision: 191977 $ #$URL: file:///home/coder/svn-repositories/_RELOADED_COD/cod-reloaded/cif/2/00/97/2009792.cif $ #-------------------------------------------------------------------...
2,009,793
12.027
0.002
24.22
0.007
13.904
0.005
90
null
92.02
0.02
90
null
4,048
2
298
null
null
null
null
null
null
null
6
P 1 21/n 1
-P 2yn
14
- C39 H63 Cl Li Nd O3 -
- C39 H63 Cl Li Nd O3 -
- C156 H252 Cl4 Li4 Nd4 O12 -
4
1
MU1076
Guan, J.; Shen, Q.; Jin, S.; Lin, Y.
Tris(<i>tert</i>-butylcyclopentadienyl)neodymium-μ-chloro-tris(tetrahydrofuran)lithium, [Nd(η^5^-^<i>t^</i>BuCp)~3~(μ-Cl)Li(thf)~3~]
Acta Crystallographica Section C
1,994
50
6
891
893
10.1107/S010827019301193X
0.71069
MoKα
null
0.038
null
null
0.036
null
null
null
null
1.48366
1.48366
null
null
null
has coordinates
Guan, J.; Shen, Q.; Jin, S.; Lin, Y. Tris(<i>tert</i>-butylcyclopentadienyl)neodymium-μ-chloro-tris(tetrahydrofuran)lithium, [Nd(η^5^-^<i>t^</i>BuCp)~3~(μ-Cl)Li(thf)~3~] Acta Crystallographica Section C 50(6) (1994) 891-893
278,324
2022-10-03
14:41:53
#------------------------------------------------------------------------------ #$Date: 2022-10-03 17:40:12 +0300 (Mon, 03 Oct 2022) $ #$Revision: 278324 $ #$URL: file:///home/coder/svn-repositories/_RELOADED_COD/cod-reloaded/cif/2/00/97/2009793.cif $ #-------------------------------------------------------------------...
2,009,794
8.856
0.001
8.856
0.001
7.017
0.002
90
null
90
null
120
null
476.6
0.16
113
1
113
1
null
null
null
null
6
P -3 m 1
null
Litium bis(tetramethylammonium) hexanitrocobaltate(III)
- C8 H24 Co Li N8 O12 -
- C8 H24 Co Li N8 O12 -
- C8 H24 Co Li N8 O12 -
1
0.083333
MU1078
Adovasio, Victor; Lina, Fausto; Nardelli, Mario; Pelizzi, Giancarlo
Lithium bis(tetramethyllammonium) hexanitrocobaltate(III) at 113 and 293 K
Acta Crystallographica Section C
1,994
50
6
871
874
10.1107/S0108270193011588
0.71069
MoKαmean
null
0.0292
null
null
0.0765
null
null
null
null
1.082
1.082
null
null
null
has coordinates
Adovasio, Victor; Lina, Fausto; Nardelli, Mario; Pelizzi, Giancarlo Lithium bis(tetramethyllammonium) hexanitrocobaltate(III) at 113 and 293 K Acta Crystallographica Section C 50(6) (1994) 871-874
301,791
2025-08-18
23:15:34
#------------------------------------------------------------------------------ #$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/2/00/97/2009794.cif $ #-------------------------------------------------------------------...
4,321,771
7.6015
0.0008
20.12
0.008
19.07
0.006
90
null
90
null
90
null
2,916.6
1.5
213
2
213
2
null
null
null
null
synthesized
5
P b c n
-P 2n 2ab
60
Bis(dichloro-bis(diethylphosphine))-di-molybdenum (II), 1,3,6,8-isomer
- C16 H44 Cl4 Mo2 P4 -
- C16 H44 Cl4 Mo2 P4 -
- C64 H176 Cl16 Mo8 P16 -
4
0.5
F. Albert Cotton; Evgeny V. Dikarev; Santiago Herrero
Mixed Chloride/Amine Complexes of Dimolybdenum(II,II). 2. Reactions of Mo2Cl4(NHEt2)4 with Monodentate and Bidentate Phosphines. New Type of Compounds Mo2Cl4(diphosphine)4
Inorganic Chemistry
1,999
38
490
495
10.1021/ic980972w
0.71073
MoKα
0.0407
0.0345
null
0.0827
0.0783
null
null
null
1.094
1.111
1.111
null
null
null
has coordinates,has disorder
F. Albert Cotton; Evgeny V. Dikarev; Santiago Herrero Mixed Chloride/Amine Complexes of Dimolybdenum(II,II). 2. Reactions of Mo2Cl4(NHEt2)4 with Monodentate and Bidentate Phosphines. New Type of Compounds Mo2Cl4(diphosphine)4 Inorganic Chemistry 38 (1999) 490-495
179,320
2020-10-21
18:00:00
#------------------------------------------------------------------------------ #$Date: 2016-03-23 15:16:56 +0200 (Wed, 23 Mar 2016) $ #$Revision: 179320 $ #$URL: file:///home/coder/svn-repositories/_RELOADED_COD/cod-reloaded/cif/4/32/17/4321771.cif $ #-------------------------------------------------------------------...
2,009,795
8.979
0.006
8.979
0.006
7.053
0.005
90
null
90
null
120
null
492.4
0.6
293
2
293
2
null
null
null
null
6
P -3 m 1
-P 3 2"
164
Lithium bis(tetramethylammonium) hexanitrocobaltate(III)
- C8 H24 Co Li N8 O12 -
- C8 H24 Co Li N8 O12 -
- C8 H24 Co Li N8 O12 -
1
0.083333
MU1078
Adovasio, Victor; Lina, Fausto; Nardelli, Mario; Pelizzi, Giancarlo
Lithium bis(tetramethyllammonium) hexanitrocobaltate(III) at 113 and 293 K
Acta Crystallographica Section C
1,994
50
6
871
874
10.1107/S0108270193011588
0.71069
MoKαmean
null
0.021
null
null
0.0609
null
null
null
null
null
null
null
null
null
has coordinates
Adovasio, Victor; Lina, Fausto; Nardelli, Mario; Pelizzi, Giancarlo Lithium bis(tetramethyllammonium) hexanitrocobaltate(III) at 113 and 293 K Acta Crystallographica Section C 50(6) (1994) 871-874
301,791
2025-08-18
23:15:34
#------------------------------------------------------------------------------ #$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/2/00/97/2009795.cif $ #-------------------------------------------------------------------...
2,009,796
6.706
0.001
7.159
0.001
7.216
0.001
100.64
0.01
105.4
0.01
62.66
0.01
295.89
0.08
293
null
null
null
null
null
null
null
4
P -1
-P 1
2
- C4 H12 B10 O4 -
- C4 H12 B10 O4 -
- C4 H12 B10 O4 -
1
0.5
NA1058
Centore, R.; Ciajolo, M.R.; Tuzi, A.; Komarova, L.G.; Rusanov, A.L.; Vasnev, V.A.
Crystal and molecular structure of 1,12-dicarboxy-1,12-dicarba-<i>closo</i>-dodecaborane(12), C~4~H~12~B~10~O~4~
Acta Crystallographica Section C
1,994
50
6
905
907
10.1107/S0108270193011783
1.5418
CuKα
null
0.046
null
null
0.06
null
null
null
null
2.856
2.856
null
null
null
has coordinates,has disorder
Centore, R.; Ciajolo, M.R.; Tuzi, A.; Komarova, L.G.; Rusanov, A.L.; Vasnev, V.A. Crystal and molecular structure of 1,12-dicarboxy-1,12-dicarba-<i>closo</i>-dodecaborane(12), C~4~H~12~B~10~O~4~ Acta Crystallographica Section C 50(6) (1994) 905-907
278,247
2022-09-28
15:09:32
#------------------------------------------------------------------------------ #$Date: 2022-09-28 18:08:17 +0300 (Wed, 28 Sep 2022) $ #$Revision: 278247 $ #$URL: file:///home/coder/svn-repositories/_RELOADED_COD/cod-reloaded/cif/2/00/97/2009796.cif $ #-------------------------------------------------------------------...
2,009,797
7.815
0.001
10.019
0.001
9.338
0.001
90
null
93.58
0.01
90
null
729.72
0.14
293
2
293
2
null
null
null
null
4
P 1 21 1
P 2yb
4
hydrazinium(1+) hexafluorotitanate(IV)
- F6 H10 N4 Ti -
- F6 H10 N4 Ti -
- F24 H40 N16 Ti4 -
4
2
NA1062
Leban, Ivan; Jesih, Adolf; Rahten, Anka
Hydrazinium(1+) hexafluorotitanate(IV), 2N~2~H~5~^+^.TiF~6~^2{-^}
Acta Crystallographica Section C
1,994
50
6
842
843
10.1107/S0108270193011795
0.7107
MoKα
0.0653
0.0355
null
0.104
0.0923
null
null
null
1.04
1.069
1.069
null
null
null
has coordinates
Leban, Ivan; Jesih, Adolf; Rahten, Anka Hydrazinium(1+) hexafluorotitanate(IV), 2N~2~H~5~^+^.TiF~6~^2{-^} Acta Crystallographica Section C 50(6) (1994) 842-843
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/2/00/97/2009797.cif $ #-------------------------------------------------------------------...
2,009,798
7.769
0.001
6.575
0.001
15.258
0.003
90
null
95.49
0.04
90
null
775.8
0.2
293
null
293
null
null
null
null
null
5
P 1 21/n 1
-P 2yn
14
1-methyl-2-methylthio-5-nitroimidazole
- C5 H7 N3 O2 S -
- C5 H7 N3 O2 S -
- C20 H28 N12 O8 S4 -
4
1
NA1068
Olszak, Tomasz A.; Peeters, Oswald M.; Blaton, Norbert M.; De Ranter, Camiel J.
1-Methyl-2-methylthio-5-nitroimidazole, C~5~H~7~N~3~O~2~S
Acta Crystallographica Section C
1,994
50
6
919
921
10.1107/S0108270193012521
0.71069
MoKα
null
0.038
null
null
0.062
null
null
null
null
0.9616
0.9616
null
null
null
has coordinates
Olszak, Tomasz A.; Peeters, Oswald M.; Blaton, Norbert M.; De Ranter, Camiel J. 1-Methyl-2-methylthio-5-nitroimidazole, C~5~H~7~N~3~O~2~S Acta Crystallographica Section C 50(6) (1994) 919-921
301,791
2025-08-18
23:15:34
#------------------------------------------------------------------------------ #$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/2/00/97/2009798.cif $ #-------------------------------------------------------------------...
2,009,799
7.088
0.001
7.116
0.001
24.935
0.003
90
null
95.03
0.01
90
null
1,252.8
0.3
293
null
293
null
null
null
null
null
4
P 1 21/c 1
-P 2ybc
14
2-(5-nitro-2-styryl-1-imidazolyl)ethanol
- C13 H13 N3 O3 -
- C13 H13 N3 O3 -
- C52 H52 N12 O12 -
4
1
NA1069
Olszak, Tomasz A.; Peeters, Oswald M.; Blaton, Norbert M.; De Ranter, Camiel J.
2-(5-Nitro-2-styryl-1-imidazolyl)ethanol
Acta Crystallographica Section C
1,994
50
6
921
922
10.1107/S0108270193012533
0.71069
MoKα
null
0.0361
null
null
0.0577
null
null
null
null
0.9702
0.9702
null
null
null
has coordinates
Olszak, Tomasz A.; Peeters, Oswald M.; Blaton, Norbert M.; De Ranter, Camiel J. 2-(5-Nitro-2-styryl-1-imidazolyl)ethanol Acta Crystallographica Section C 50(6) (1994) 921-922
301,791
2025-08-18
23:15:34
#------------------------------------------------------------------------------ #$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/2/00/97/2009799.cif $ #-------------------------------------------------------------------...
4,321,770
5.975
0.003
14.517
0.002
10.617
0.003
90
null
92.74
0.03
90
null
919.9
0.5
296.2
null
296.2
null
null
null
null
null
5
P 1 21/a 1
-P 2yab
14
- C8 H7 Cl O Te -
- C8 H7 Cl O Te -
- C32 H28 Cl4 O4 Te4 -
4
1
Shinzi Kato; Osamu Niyomura; Shohou Nakaiida; Yasuyuki Kawahara; Takahiro Kanda; Ryo Yamada; Shinya Hori
First Isolation and Characterization of Sodium and Potassium Tellurocarboxylates: Structural Analysis of Te-Alkyl Telluroester
Inorganic Chemistry
1,999
38
519
530
10.1021/ic980815x
0.7107
MoKα
null
0.0326
null
null
0.0459
null
null
null
null
1.705
1.705
null
null
null
has coordinates
Shinzi Kato; Osamu Niyomura; Shohou Nakaiida; Yasuyuki Kawahara; Takahiro Kanda; Ryo Yamada; Shinya Hori First Isolation and Characterization of Sodium and Potassium Tellurocarboxylates: Structural Analysis of Te-Alkyl Telluroester Inorganic Chemistry 38 (1999) 519-530
301,838
2025-08-20
22:17:34
#------------------------------------------------------------------------------ #$Date: 2025-08-21 01:01:10 +0300 (Thu, 21 Aug 2025) $ #$Revision: 301838 $ #$URL: file:///home/coder/svn-repositories/_RELOADED_COD/cod-reloaded/cif/4/32/17/4321770.cif $ #-------------------------------------------------------------------...
2,009,800
18.672
0.001
18.672
0.001
40.104
0.007
90
null
90
null
90
null
13,982
3
293
2
293
2
null
null
null
null
6
I 41/a :2
-I 4ad
88
hexacarbonyl-1κ^4^C,2κ^2^C-η^5^-cyclopentadienyl-2κC-bis-μ- diphenylphosphanido-1κ^2^P:2κ^2^P-manganesetungsten
- C35 H25 Mn O6 P2 W -
- C35 H25 Mn O6 P2 W -
- C560 H400 Mn16 O96 P32 W16 -
16
1
NA1073
Flörke, Ulrich; Haupt, Hans-Jürgen
Hexacarbonylcyclopentadienyl-bis-μ-diphenylphosphanido-manganesetungsten, [MnW(C~12~H~10~P)~2~(C~5~H~5~)(CO)~6~]
Acta Crystallographica Section C
1,994
50
6
874
876
10.1107/S0108270193013526
0.71073
MoKα
0.1759
0.0684
null
0.1939
0.1447
null
null
null
1.066
1.176
1.176
null
null
null
has coordinates
Flörke, Ulrich; Haupt, Hans-Jürgen Hexacarbonylcyclopentadienyl-bis-μ-diphenylphosphanido-manganesetungsten, [MnW(C~12~H~10~P)~2~(C~5~H~5~)(CO)~6~] Acta Crystallographica Section C 50(6) (1994) 874-876
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/2/00/98/2009800.cif $ #-------------------------------------------------------------------...
2,009,801
9.943
0.001
8.402
0.001
10.22
0.001
90
null
101.18
0.01
90
null
837.59
0.16
293
null
293
null
null
null
null
null
4
P 1 21/a 1
-P 2yab
14
Structure of 5-nitro-2-furaldehyde-semicarbazone
- C6 H6 N4 O4 -
- C6 H6 N4 O4 -
- C24 H24 N16 O16 -
4
1
NA1082
Olszak, Tomasz A.; Peeters, Oswald M.; Blaton, Norbert M.; De Ranter, Camiel J.
5-Nitro-2-furaldehyde semicarbazone
Acta Crystallographica Section C
1,994
50
6
948
950
10.1107/S0108270194000119
0.71069
MoKα
null
0.0428
null
null
0.0765
null
null
null
null
0.939
0.939
null
null
null
has coordinates
Olszak, Tomasz A.; Peeters, Oswald M.; Blaton, Norbert M.; De Ranter, Camiel J. 5-Nitro-2-furaldehyde semicarbazone Acta Crystallographica Section C 50(6) (1994) 948-950
301,791
2025-08-18
23:15:34
#------------------------------------------------------------------------------ #$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/2/00/98/2009801.cif $ #-------------------------------------------------------------------...
2,009,802
9.8372
0.001
9.055
0.0005
5.3488
0.0006
90
null
107.175
0.005
90
null
455.2
0.07
298
null
null
null
null
null
null
null
4
C 1 2/c 1
-C 2yc
null
- Na O6 Sc Si2 -
- Na O6 Sc Si2 -
- Na4 O24 Sc4 Si8 -
4
0.5
OH1046
Ohashi, H.; Osawa, T.; Sato, A.
NaScSi~2~O~6~
Acta Crystallographica Section C
1,994
50
6
838
840
10.1107/S010827019300962X
0.71073
MoKα
null
0.018
null
null
0.034
null
null
null
null
1.3
1.3
null
null
null
has coordinates
Ohashi, H.; Osawa, T.; Sato, A. NaScSi~2~O~6~ Acta Crystallographica Section C 50(6) (1994) 838-840
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/2/00/98/2009802.cif $ #-------------------------------------------------------------------...
2,009,803
31.396
0.002
5.207
0.001
4.98
0.002
90
null
91.71
0.02
90
null
813.8
0.4
296
1
null
null
null
null
null
null
3
P 1 21/n 1
-P 2yn
14
- C16 H34 O2 -
- C16 H34 O2 -
- C32 H68 O4 -
2
0.5
OH1052
Nakamura, N.; Yamamoto, T.
1,16-Hexadecanediol, C~16~H~34~O~2~
Acta Crystallographica Section C
1,994
50
6
946
948
10.1107/S0108270193011849
1.5418
CuKα
null
0.049
null
null
0.079
null
null
null
null
1.74
1.74
null
null
null
has coordinates
Nakamura, N.; Yamamoto, T. 1,16-Hexadecanediol, C~16~H~34~O~2~ Acta Crystallographica Section C 50(6) (1994) 946-948
301,791
2025-08-18
23:15:34
#------------------------------------------------------------------------------ #$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/2/00/98/2009803.cif $ #-------------------------------------------------------------------...
2,009,804
18.883
0.005
6.1671
0.0008
13.087
0.002
90
null
90
null
90
null
1,524
0.5
293
null
null
null
null
null
null
null
3
P n a 21
P 2c -2n
null
- C17 H18 N4 -
- C17 H18 N4 -
- C68 H72 N16 -
4
1
PA1067
Rodier, N.; Robert-Piessard, S.; Robert, J.-M.; Baut, G. Le.
4-(4,6-Diméthylpyrid-2-yl)-5-éthyl-3-phényl-4<i>H</i>-1,2,4-triazole
Acta Crystallographica Section C
1,994
50
6
955
957
10.1107/S0108270193010339
1.5418
CuKα
null
0.054
null
null
0.052
null
null
null
null
1.87
1.87
null
null
null
has coordinates
Rodier, N.; Robert-Piessard, S.; Robert, J.-M.; Baut, G. Le. 4-(4,6-Diméthylpyrid-2-yl)-5-éthyl-3-phényl-4<i>H</i>-1,2,4-triazole Acta Crystallographica Section C 50(6) (1994) 955-957
301,791
2025-08-18
23:15:34
#------------------------------------------------------------------------------ #$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/2/00/98/2009804.cif $ #-------------------------------------------------------------------...