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
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int64
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string
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string
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string
svnrevision
int64
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time
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string
cif_text
string
2,002,003
6.525
0.002
13.183
0.004
14.031
0.006
90
null
99.16
0.04
90
null
1,191.5
0.7
293
null
null
null
null
null
null
null
5
P 1 21/n 1
-P 2yn
14
- C13 H8 Fe N2 O3 -
- C13 H8 Fe N2 O3 -
- C52 H32 Fe4 N8 O12 -
4
1
SH1001
Irngartinger, H.; Oeser, T.; Köhler, C.-M.
Two iron–tricarbonyl complexes with substituted bicyclo[2.2.2]octadienes
Acta Crystallographica Section C
1,993
49
2
378
381
10.1107/S0108270192005924
0.71071
MoKα
null
0.028
null
null
0.036
null
null
null
null
1.64
1.64
null
null
null
has coordinates
Irngartinger, H.; Oeser, T.; Köhler, C.-M. Two iron–tricarbonyl complexes with substituted bicyclo[2.2.2]octadienes Acta Crystallographica Section C 49(2) (1993) 378-381
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/2/00/20/2002003.cif $ #-------------------------------------------------------------------...
2,002,004
8.18
0.001
8.097
0.001
23.059
0.004
90
null
91.03
0.01
90
null
1,527
0.4
293
null
null
null
null
null
null
null
4
P 1 21/c 1
-P 2ybc
null
- C15 H14 Fe O7 -
- C15 H14 Fe O7 -
- C60 H56 Fe4 O28 -
4
1
SH1001
Irngartinger, H.; Oeser, T.; Köhler, C.-M.
Two iron‒tricarbonyl complexes with substituted bicyclo[2.2.2]octadienes
Acta Crystallographica Section C
1,993
49
2
378
381
10.1107/S0108270192005924
0.71071
MoKα
null
0.029
null
null
0.038
null
null
null
null
1.8
1.8
null
null
null
has coordinates
Irngartinger, H.; Oeser, T.; Köhler, C.-M. Two iron‒tricarbonyl complexes with substituted bicyclo[2.2.2]octadienes Acta Crystallographica Section C 49(2) (1993) 378-381
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/2/00/20/2002004.cif $ #-------------------------------------------------------------------...
2,002,005
7.959
0.001
11.488
0.004
11.559
0.002
91.58
0.02
101.69
0.01
91.62
0.02
1,033.9
0.4
298
null
null
null
null
null
null
null
6
P -1
-P 1
2
- C19 H14 Cl Fe N O7 -
- C23 H18 Cl Fe N O7 -
- C46 H36 Cl2 Fe2 N2 O14 -
2
1
NA1009
Wang, J.-C.; Sun, C.-H.; Yang, G.-Z.; Fronczek, F. R.; Watkins, S. F.
Structure of [Fe(C~16~H~14~ClNO~4~)(CO)~3~]
Acta Crystallographica Section C
1,993
49
2
381
383
10.1107/S0108270192009934
0.71073
MoKα
null
0.049
null
null
0.056
null
null
null
null
2.649
2.649
null
null
null
has coordinates
Wang, J.-C.; Sun, C.-H.; Yang, G.-Z.; Fronczek, F. R.; Watkins, S. F. Structure of [Fe(C~16~H~14~ClNO~4~)(CO)~3~] Acta Crystallographica Section C 49(2) (1993) 381-383
278,247
2022-09-28
15:09:31
#------------------------------------------------------------------------------ #$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/2/00/20/2002005.cif $ #-------------------------------------------------------------------...
2,002,006
7.947
0.002
31.447
0.003
10.275
0.001
90
null
109.57
0.01
90
null
2,419.5
0.7
295
null
null
null
null
null
null
null
5
P 1 21/c 1
-P 2ybc
null
- C24 H24 Cl3 Rh S3 -
- C24 H24 Cl3 Rh S3 -
- C96 H96 Cl12 Rh4 S12 -
4
1
BR1009
Parvez, M.; Fait, J. F.; Clark, P. D.; Jones, C. G.
<i>mer</i>-Trichlorotris(2,3-dihydrobenzo[<i>b</i>]thiophene-<i>S</i>)rhodium(III)
Acta Crystallographica Section C
1,993
49
2
383
385
10.1107/S0108270192009545
0.71069
MoKα
null
0.046
null
null
0.03
null
null
null
null
2.377
2.377
null
null
null
has coordinates
Parvez, M.; Fait, J. F.; Clark, P. D.; Jones, C. G. <i>mer</i>-Trichlorotris(2,3-dihydrobenzo[<i>b</i>]thiophene-<i>S</i>)rhodium(III) Acta Crystallographica Section C 49(2) (1993) 383-385
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/2/00/20/2002006.cif $ #-------------------------------------------------------------------...
2,002,007
6.61
0.005
11.272
0.003
10.738
0.003
90
null
90
null
90
null
800.1
0.7
83
null
null
null
null
null
null
null
3
P c a 21
P 2c -2ac
29
- C9 H10 O3 -
- C9 H10 O3 -
- C36 H40 O12 -
4
1
LI1018
Zukerman-Schpector, J.; Boscaini, R. C.; Ferreira, J. T. B.; Marques, F. A.
Structure of 6-methyl-2-oxabicyclo[4.3.0]non-4-ene-3,8-dione
Acta Crystallographica Section C
1,993
49
2
385
387
10.1107/S0108270192008497
0.70926
Mo
null
0.035
null
null
0.036
null
null
null
null
1.08
1.08
null
null
null
has coordinates
Zukerman-Schpector, J.; Boscaini, R. C.; Ferreira, J. T. B.; Marques, F. A. Structure of 6-methyl-2-oxabicyclo[4.3.0]non-4-ene-3,8-dione Acta Crystallographica Section C 49(2) (1993) 385-387
301,791
2025-08-18
23:15:01
#------------------------------------------------------------------------------ #$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/2/00/20/2002007.cif $ #-------------------------------------------------------------------...
2,002,008
7.387
0.001
10.719
0.002
12.325
0.002
90
null
90
null
90
null
975.9
0.3
293
null
null
null
null
null
null
null
4
P 21 21 21
P 2ac 2ab
null
- C10 H11 N O3 -
- C10 H11 N O3 -
- C40 H44 N4 O12 -
4
1
CD1007
Boys, D.; Manríquez, V.; Cassels, B. K.
Structure of (<i>E</i>)-1-(4-methoxyphenyl)-2-nitropropene
Acta Crystallographica Section C
1,993
49
2
387
388
10.1107/S0108270192009193
0.71073
MoKα
null
0.039
null
null
0.055
null
null
null
null
0.99
0.99
null
null
null
has coordinates
Boys, D.; Manríquez, V.; Cassels, B. K. Structure of (<i>E</i>)-1-(4-methoxyphenyl)-2-nitropropene Acta Crystallographica Section C 49(2) (1993) 387-388
301,791
2025-08-18
23:15:01
#------------------------------------------------------------------------------ #$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/2/00/20/2002008.cif $ #-------------------------------------------------------------------...
2,002,009
11.749
0.003
12.028
0.002
15.652
0.006
90
null
93.26
0.03
90
null
2,208.3
1.1
298
null
null
null
null
null
null
null
4
P 1 21/n 1
-P 2yn
14
- C20 H20 I3 P -
- C20 H20 I3 P -
- C80 H80 I12 P4 -
4
1
CD1009
Bélanger, S.; Beauchamp, A. L.
Structure of ethyltriphenylphosphonium triiodide, [P(C~2~H~5~)(C~6~H~5~)~3~]I~3~
Acta Crystallographica Section C
1,993
49
2
388
391
10.1107/S010827019200920X
1.54178
CuKα
null
0.049
null
null
0.048
null
null
null
null
1.73
1.73
null
null
null
has coordinates
Bélanger, S.; Beauchamp, A. L. Structure of ethyltriphenylphosphonium triiodide, [P(C~2~H~5~)(C~6~H~5~)~3~]I~3~ Acta Crystallographica Section C 49(2) (1993) 388-391
301,791
2025-08-18
23:15:01
#------------------------------------------------------------------------------ #$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/2/00/20/2002009.cif $ #-------------------------------------------------------------------...
2,002,010
6.841
0.008
7.219
0.006
18.51
0.02
90
null
90
null
90
null
914.1
1.6
298
null
null
null
null
null
null
null
4
P 21 21 21
P 2ac 2ab
null
- C8 H15 N O3 -
- C8 H15 N O3 -
- C32 H60 N4 O12 -
4
1
HL1013
Koh, L. L.; Lee, C.-K.; Sim, K. Y.; Zhu, J.
Structure of 1-deoxycastanospermine
Acta Crystallographica Section C
1,993
49
2
391
392
10.1107/S0108270192009120
0.71069
MoKα
null
0.04
null
null
0.05
null
null
null
null
1.74
1.74
null
null
null
has coordinates
Koh, L. L.; Lee, C.-K.; Sim, K. Y.; Zhu, J. Structure of 1-deoxycastanospermine Acta Crystallographica Section C 49(2) (1993) 391-392
301,791
2025-08-18
23:15:01
#------------------------------------------------------------------------------ #$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/2/00/20/2002010.cif $ #-------------------------------------------------------------------...
2,002,011
15.76
0.002
10.832
0.002
16.611
0.002
90
null
116.34
0.01
90
null
2,541.3
0.7
296
null
null
null
null
null
null
null
4
C 1 2/c 1
-C 2yc
null
- C31 H25 N3 P2 -
- C31 H25 N3 P2 -
- C124 H100 N12 P8 -
4
0.5
BR1015
Chandrasekhar, V.; Chivers, T.; Parvez, M.
Structure of 2,2,4,4,6-pentaphenyl-2,4,1,3,5-diphosphatriazine; a six-membered P~2~N~3~C ring
Acta Crystallographica Section C
1,993
49
2
393
394
10.1107/S0108270192009715
0.71093
MoKα
null
0.049
null
null
0.04
null
null
null
null
1.77
1.77
null
null
null
has coordinates
Chandrasekhar, V.; Chivers, T.; Parvez, M. Structure of 2,2,4,4,6-pentaphenyl-2,4,1,3,5-diphosphatriazine; a six-membered P~2~N~3~C ring Acta Crystallographica Section C 49(2) (1993) 393-394
301,791
2025-08-18
23:15:01
#------------------------------------------------------------------------------ #$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/2/00/20/2002011.cif $ #-------------------------------------------------------------------...
2,002,012
7.815
0.002
7.07
0.001
14.475
0.003
90
null
97.07
0.03
90
null
793.7
0.3
293
null
null
null
null
null
null
null
4
P 1 21/n 1
-P 2yn
14
- C16 H14 N4 O4 -
- C16 H14 N4 O4 -
- C32 H28 N8 O8 -
2
0.5
SP1003
Hsu, L.-Y.; Nordman, C. E.; Kenny, D. H.
Structures of (<i>E</i>,<i>E</i>)-<i>o</i>-nitroacetophenone azine (I), (<i>E</i>,<i>Z</i>)-<i>o</i>-nitroacetophenone azine (II) and (<i>E</i>,<i>E</i>)-<i>o</i>-nitrobenzaldehyde azine (III)
Acta Crystallographica Section C
1,993
49
2
394
398
10.1107/S0108270192009685
0.71069
MoKα
null
0.055
null
null
0.04
null
null
null
null
2.375
2.375
null
null
null
has coordinates
Hsu, L.-Y.; Nordman, C. E.; Kenny, D. H. Structures of (<i>E</i>,<i>E</i>)-<i>o</i>-nitroacetophenone azine (I), (<i>E</i>,<i>Z</i>)-<i>o</i>-nitroacetophenone azine (II) and (<i>E</i>,<i>E</i>)-<i>o</i>-nitrobenzaldehyde azine (III) Acta Crystallographica Section C 49(2) (1993) 394-398
301,791
2025-08-18
23:15:01
#------------------------------------------------------------------------------ #$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/2/00/20/2002012.cif $ #-------------------------------------------------------------------...
2,002,013
7.713
0.001
13.359
0.002
15.557
0.002
90
null
99.85
0.01
90
null
1,579.3
0.4
293
null
null
null
null
null
null
null
4
P 1 21/c 1
-P 2ybc
null
- C16 H14 N4 O4 -
- C16 H14 N4 O4 -
- C64 H56 N16 O16 -
4
1
SP1003
Hsu, L.-Y.; Nordman, C. E.; Kenny, D. H.
Structures of (<i>E</i>,<i>E</i>)-<i>o</i>-nitroacetophenone azine (I), (<i>E</i>,<i>Z</i>)-<i>o</i>-nitroacetophenone azine (II) and (<i>E</i>,<i>E</i>)-<i>o</i>-nitrobenzaldehyde azine (III)
Acta Crystallographica Section C
1,993
49
2
394
398
10.1107/S0108270192009685
0.71069
MoKα
null
0.044
null
null
0.033
null
null
null
null
2.661
2.661
null
null
null
has coordinates
Hsu, L.-Y.; Nordman, C. E.; Kenny, D. H. Structures of (<i>E</i>,<i>E</i>)-<i>o</i>-nitroacetophenone azine (I), (<i>E</i>,<i>Z</i>)-<i>o</i>-nitroacetophenone azine (II) and (<i>E</i>,<i>E</i>)-<i>o</i>-nitrobenzaldehyde azine (III) Acta Crystallographica Section C 49(2) (1993) 394-398
301,791
2025-08-18
23:15:01
#------------------------------------------------------------------------------ #$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/2/00/20/2002013.cif $ #-------------------------------------------------------------------...
2,002,014
11.905
0.003
6.274
0.001
9.176
0.001
90
null
94.97
0.01
90
null
682.8
0.2
293
null
null
null
null
null
null
null
4
P 1 21/n 1
-P 2yn
14
- C14 H10 N4 O4 -
- C14 H10 N4 O4 -
- C28 H20 N8 O8 -
2
0.5
SP1003
Hsu, L.-Y.; Nordman, C. E.; Kenny, D. H.
Structures of (<i>E</i>,<i>E</i>)-<i>o</i>-nitroacetophenone azine (I), (<i>E</i>,<i>Z</i>)-<i>o</i>-nitroacetophenone azine (II) and (<i>E</i>,<i>E</i>)-<i>o</i>-nitrobenzaldehyde azine (III)
Acta Crystallographica Section C
1,993
49
2
394
398
10.1107/S0108270192009685
0.71069
MoKα
null
0.051
null
null
0.038
null
null
null
null
2.575
2.575
null
null
null
has coordinates
Hsu, L.-Y.; Nordman, C. E.; Kenny, D. H. Structures of (<i>E</i>,<i>E</i>)-<i>o</i>-nitroacetophenone azine (I), (<i>E</i>,<i>Z</i>)-<i>o</i>-nitroacetophenone azine (II) and (<i>E</i>,<i>E</i>)-<i>o</i>-nitrobenzaldehyde azine (III) Acta Crystallographica Section C 49(2) (1993) 394-398
301,791
2025-08-18
23:15:01
#------------------------------------------------------------------------------ #$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/2/00/20/2002014.cif $ #-------------------------------------------------------------------...
2,002,015
7.526
0.002
19.107
0.002
5.785
0.002
90
null
90
null
90
null
831.9
0.4
173
2
null
null
null
null
null
null
3
P n m a
-P 2ac 2n
62
- C12 D8 O -
- C24 D16 O2 -
- C96 D64 O8 -
4
0.5
ST1020
Fitzgerald, L. J.; Gallucci, J. C.; Gerkin, R. E.
Structure of dibenzofuran-<i>d</i>~8~, C~12~D~8~O, at 173 K
Acta Crystallographica Section C
1,993
49
2
398
400
10.1107/S0108270192009375
0.71073
MoKα
null
0.051
null
null
0.064
null
null
null
null
2.11
2.11
null
null
null
has coordinates
Fitzgerald, L. J.; Gallucci, J. C.; Gerkin, R. E. Structure of dibenzofuran-<i>d</i>~8~, C~12~D~8~O, at 173 K Acta Crystallographica Section C 49(2) (1993) 398-400
278,244
2022-09-28
13:56:22
#------------------------------------------------------------------------------ #$Date: 2022-09-28 16:56:03 +0300 (Wed, 28 Sep 2022) $ #$Revision: 278244 $ #$URL: file:///home/coder/svn-repositories/_RELOADED_COD/cod-reloaded/cif/2/00/20/2002015.cif $ #-------------------------------------------------------------------...
2,002,016
14.91
0.02
13.48
0.02
13.01
0.01
90
null
90.47
0.07
90
null
2,615
6
293
1
293
1
null
null
null
null
3
P 1 21/c 1
-P 2ybc
14
1,2,2,3,3,4,4,5-octamethyl-6,7,8-trioxabicyclo[3.2.1]octane
- C13 H24 O3 -
- C13 H24 O3 -
- C104 H192 O24 -
8
2
AB1017
Jerzykiewicz, L. B.; Dziewońska-Baran, D.; Baran, J.; Lis, T.
Structure of 1,2,2,3,3,4,4,5-octamethyl-6,7,8-trioxabicyclo[3.2.1]octane
Acta Crystallographica Section C
1,993
49
2
400
402
10.1107/S0108270192010175
1.5418
CuKα
null
0.037
null
null
0.035
null
null
null
null
null
null
null
null
null
has coordinates
Jerzykiewicz, L. B.; Dziewońska-Baran, D.; Baran, J.; Lis, T. Structure of 1,2,2,3,3,4,4,5-octamethyl-6,7,8-trioxabicyclo[3.2.1]octane Acta Crystallographica Section C 49(2) (1993) 400-402
301,791
2025-08-18
23:15:01
#------------------------------------------------------------------------------ #$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/2/00/20/2002016.cif $ #-------------------------------------------------------------------...
2,002,017
14.93
0.002
11.193
0.001
17.211
0.001
90
null
99.896
0.005
90
null
2,833.4
0.5
293
null
293
null
null
null
null
null
5
P 1 21/c 1
-P 2ybc
14
1,3-Xylyl-(18-crown-5)-ammonium-catecholborate
- C28 H36 B N O9 -
- C28 H36 B N O9 -
- C112 H144 B4 N4 O36 -
4
1
AB1034
Goddard, R.; Niemeyer, C. M.; Reetz, M. T.
Structure of 1,3-xylyl-(18-crown-5)–ammonium catecholborate (1/1)
Acta Crystallographica Section C
1,993
49
2
402
404
10.1107/S0108270192010485
0.71069
MoKα
0.109
0.06
null
null
0.059
null
null
null
null
1.97
1.97
null
null
null
has coordinates
Goddard, R.; Niemeyer, C. M.; Reetz, M. T. Structure of 1,3-xylyl-(18-crown-5)–ammonium catecholborate (1/1) Acta Crystallographica Section C 49(2) (1993) 402-404
301,791
2025-08-18
23:15:01
#------------------------------------------------------------------------------ #$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/2/00/20/2002017.cif $ #-------------------------------------------------------------------...
2,002,018
10.609
0.004
13.705
0.007
23.535
0.006
90
null
90
null
90
null
3,422
2
293
null
null
null
null
null
null
null
5
P b c n
-P 2n 2ab
null
- C38 H28 N3 O6 P3 -
- C38 H28 N3 O6 P3 -
- C152 H112 N12 O24 P12 -
4
0.5
AS1012
Kubono, K.; Asaka, N.; Isoda, S.; Kobayashi, T.; Taga, T.
Structure of 1:1 clathrate between tris(2,3-naphthalenedioxy)cyclotriphosphazene and <i>p</i>-xylene
Acta Crystallographica Section C
1,993
49
2
404
406
10.1107/S0108270192009089
1.54178
CuKα
null
0.041
null
null
0.0484
null
null
null
null
2.24
2.24
null
null
null
has coordinates
Kubono, K.; Asaka, N.; Isoda, S.; Kobayashi, T.; Taga, T. Structure of 1:1 clathrate between tris(2,3-naphthalenedioxy)cyclotriphosphazene and <i>p</i>-xylene Acta Crystallographica Section C 49(2) (1993) 404-406
301,791
2025-08-18
23:15:01
#------------------------------------------------------------------------------ #$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/2/00/20/2002018.cif $ #-------------------------------------------------------------------...
2,002,019
8.028
0.004
5.456
0.003
24.035
0.009
90
null
90
null
90
null
1,052.8
0.9
223
null
null
null
null
null
null
null
3
P c a 21
P 2c -2ac
null
- C14 H12 O -
- C14 H12 O -
- C56 H48 O4 -
4
1
BR1010
Rieker, T. P.; Haltiwanger, C.; Eidman, K.; Walba, D. W.; Clark, N. A.; Larson, A. C.
Structure of 2-phenylacetophenone
Acta Crystallographica Section C
1,993
49
2
406
408
10.1107/S0108270192009442
0.7107
MoKα
null
0.033
null
null
0.037
null
null
null
null
2.79
2.79
null
null
null
has coordinates
Rieker, T. P.; Haltiwanger, C.; Eidman, K.; Walba, D. W.; Clark, N. A.; Larson, A. C. Structure of 2-phenylacetophenone Acta Crystallographica Section C 49(2) (1993) 406-408
301,791
2025-08-18
23:15:01
#------------------------------------------------------------------------------ #$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/2/00/20/2002019.cif $ #-------------------------------------------------------------------...
2,002,020
8.518
0.001
23.151
0.003
7.112
0.001
90
null
111.6
0.2
90
null
1,304
1.8
293
null
null
null
null
null
null
null
4
P 1 21 1
P 2yb
4
- C25 H32 N3 O7 -
- C25 H31 N3 O7 -
- C50 H62 N6 O14 -
2
1
CD1012
Valle, G.; Formaggio, F.; Crisma, M.; Toniolo, C.; Kamphuis, J.
Structure of <i>Z</i>-<small>L</small>-(αMe)Phe-(<small>L</small>-Ala)~2~-OMe monohydrate
Acta Crystallographica Section C
1,993
49
2
408
410
10.1107/S0108270192010023
0.7107
MoKα
null
0.065
null
null
0.075
null
null
null
null
1.48
1.48
null
null
null
has coordinates
Valle, G.; Formaggio, F.; Crisma, M.; Toniolo, C.; Kamphuis, J. Structure of <i>Z</i>-<small>L</small>-(αMe)Phe-(<small>L</small>-Ala)~2~-OMe monohydrate Acta Crystallographica Section C 49(2) (1993) 408-410
205,898
2020-10-21
18:00:00
#------------------------------------------------------------------------------ #$Date: 2018-01-30 16:30:45 +0200 (Tue, 30 Jan 2018) $ #$Revision: 205898 $ #$URL: file:///home/coder/svn-repositories/_RELOADED_COD/cod-reloaded/cif/2/00/20/2002020.cif $ #-------------------------------------------------------------------...
2,002,021
9.894
0.001
10.971
0.002
5.658
0.001
102.9
0.01
91.17
0.01
81.14
0.01
591.45
0.16
298
2
null
null
null
null
null
null
3
P -1
-P 1
2
- C14 H18 O2 -
- C14 H18 O2 -
- C28 H36 O4 -
2
1
AS1019
Kawata, T.; Okuda, M.; Ohba, S.; Umehara, M.; Honnami, H.; Hishida, S.
Tricyclo[9.3.0.0^3,7^]tetradec-3-ene-5,10-dione (I), tetracyclo[9.3.0.0^1,5^.0^5,9^]tetradecane-2,7-dione (II) and <i>cis</i>-<i>cisoid</i>-<i>cis</i>-2,9-epoxy-9-methyltricyclo[9.3.0.0^4,8^]tetradecan-2-ol (III)
Acta Crystallographica Section C
1,993
49
2
410
413
10.1107/S0108270192009491
0.71073
MoKα
null
0.044
null
null
0.047
null
null
null
null
1.79
1.79
null
null
null
has coordinates
Kawata, T.; Okuda, M.; Ohba, S.; Umehara, M.; Honnami, H.; Hishida, S. Tricyclo[9.3.0.0^3,7^]tetradec-3-ene-5,10-dione (I), tetracyclo[9.3.0.0^1,5^.0^5,9^]tetradecane-2,7-dione (II) and <i>cis</i>-<i>cisoid</i>-<i>cis</i>-2,9-epoxy-9-methyltricyclo[9.3.0.0^4,8^]tetradecan-2-ol (III) Acta Crystallographica Section C 49(...
301,791
2025-08-18
23:15:01
#------------------------------------------------------------------------------ #$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/2/00/20/2002021.cif $ #-------------------------------------------------------------------...
2,002,022
13.406
0.002
13.346
0.002
6.86
0.002
90
null
104.61
0.02
90
null
1,187.7
0.4
293
2
null
null
null
null
null
null
3
P 1 21/a 1
-P 2yab
null
- C14 H18 O2 -
- C14 H18 O2 -
- C56 H72 O8 -
4
1
AS1019
Kawata, T.; Okuda, M.; Ohba, S.; Umehara, M.; Honnami, H.; Hishida, S.
Tricyclo[9.3.0.0^3,7^]tetradec-3-ene-5,10-dione (I), tetracyclo[9.3.0.0^1,5^.0^5,9^]tetradecane-2,7-dione (II) and <i>cis</i>-<i>cisoid</i>-<i>cis</i>-2,9-epoxy-9-methyltricyclo[9.3.0.0^4,8^]tetradecan-2-ol (III)
Acta Crystallographica Section C
1,993
49
2
410
413
10.1107/S0108270192009491
0.71073
MoKα
null
0.05
null
null
0.046
null
null
null
null
1.54
1.54
null
null
null
has coordinates
Kawata, T.; Okuda, M.; Ohba, S.; Umehara, M.; Honnami, H.; Hishida, S. Tricyclo[9.3.0.0^3,7^]tetradec-3-ene-5,10-dione (I), tetracyclo[9.3.0.0^1,5^.0^5,9^]tetradecane-2,7-dione (II) and <i>cis</i>-<i>cisoid</i>-<i>cis</i>-2,9-epoxy-9-methyltricyclo[9.3.0.0^4,8^]tetradecan-2-ol (III) Acta Crystallographica Section C 49(...
301,791
2025-08-18
23:15:01
#------------------------------------------------------------------------------ #$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/2/00/20/2002022.cif $ #-------------------------------------------------------------------...
2,002,023
12.109
0.002
10.649
0.002
10.407
0.001
90
null
98.3
0.01
90
null
1,327.9
0.4
298
2
null
null
null
null
null
null
3
P 1 21/n 1
-P 2yn
14
- C15 H24 O2 -
- C15 H24 O2 -
- C60 H96 O8 -
4
1
AS1019
Kawata, T.; Okuda, M.; Ohba, S.; Umehara, M.; Honnami, H.; Hishida, S.
Tricyclo[9.3.0.0^3,7^]tetradec-3-ene-5,10-dione (I), tetracyclo[9.3.0.0^1,5^.0^5,9^]tetradecane-2,7-dione (II) and <i>cis</i>-<i>cisoid</i>-<i>cis</i>-2,9-epoxy-9-methyltricyclo[9.3.0.0^4,8^]tetradecan-2-ol (III)
Acta Crystallographica Section C
1,993
49
2
410
413
10.1107/S0108270192009491
0.71073
MoKα
null
0.048
null
null
0.05
null
null
null
null
1.87
1.87
null
null
null
has coordinates
Kawata, T.; Okuda, M.; Ohba, S.; Umehara, M.; Honnami, H.; Hishida, S. Tricyclo[9.3.0.0^3,7^]tetradec-3-ene-5,10-dione (I), tetracyclo[9.3.0.0^1,5^.0^5,9^]tetradecane-2,7-dione (II) and <i>cis</i>-<i>cisoid</i>-<i>cis</i>-2,9-epoxy-9-methyltricyclo[9.3.0.0^4,8^]tetradecan-2-ol (III) Acta Crystallographica Section C 49(...
301,791
2025-08-18
23:15:01
#------------------------------------------------------------------------------ #$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/2/00/20/2002023.cif $ #-------------------------------------------------------------------...
2,002,024
22.805
0.001
15.156
0.001
8.004
0.002
90
null
91.66
0.01
90
null
2,765.3
0.7
296
1
null
null
null
null
null
null
4
C 1 2 1
C 2y
null
- C20 H23 N5 O10 -
- C20 H23 N5 O10 -
- C80 H92 N20 O40 -
4
1
HU1015
Beddoes, R. L.; Russell, J. R.; Garner, C. D.; Joule, J. A.
Structure of a 6-(tetrahydroxybutyl)-substituted pteridine
Acta Crystallographica Section C
1,993
49
2
413
416
10.1107/S0108270192009831
1.54178
CuKα
null
0.075
null
null
0.091
null
null
null
null
4.005
4.005
null
null
null
has coordinates
Beddoes, R. L.; Russell, J. R.; Garner, C. D.; Joule, J. A. Structure of a 6-(tetrahydroxybutyl)-substituted pteridine Acta Crystallographica Section C 49(2) (1993) 413-416
301,791
2025-08-18
23:15:01
#------------------------------------------------------------------------------ #$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/2/00/20/2002024.cif $ #-------------------------------------------------------------------...
2,002,025
9.62
0.002
8.005
0.001
13.119
0.002
90
null
109.98
0.01
90
null
949.5
0.3
null
null
null
null
null
null
null
null
4
P 1 21/n 1
-P 2yn
14
- H5 O10 P3 Pr2 -
- H5 O10 P3 Pr2 -
- H20 O40 P12 Pr8 -
4
1
DU0341
Foulon, J.-D.; Tijani, N.; Durand, J.; Rafiq, M.; Cot, L.
Structure de Ln~2~(PO~3~H)~3~.H~2~O (Ln = Pr, Nd)
Acta Crystallographica Section C
1,993
49
1
1
4
10.1107/S0108270192004050
0.71073
Mo
null
null
null
null
null
null
null
null
null
null
null
null
null
null
has coordinates
Foulon, J.-D.; Tijani, N.; Durand, J.; Rafiq, M.; Cot, L. Structure de Ln~2~(PO~3~H)~3~.H~2~O (Ln = Pr, Nd) Acta Crystallographica Section C 49(1) (1993) 1-4
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/2/00/20/2002025.cif $ #-------------------------------------------------------------------...
2,002,026
9.581
0.002
7.98
0.002
13.056
0.003
90
null
108.95
0.01
90
null
944.1
0.4
null
null
null
null
null
null
null
null
4
P 1 21/n 1
-P 2yn
14
- H5 Nd2 O10 P3 -
- H5 Nd2 O10 P3 -
- H20 Nd8 O40 P12 -
4
1
DU0341
Foulon, J.-D.; Tijani, N.; Durand, J.; Rafiq, M.; Cot, L.
Structure de Ln~2~(PO~3~H)~3~.H~2~O (Ln = Pr, Nd)
Acta Crystallographica Section C
1,993
49
1
1
4
10.1107/S0108270192004050
0.71073
Mo
null
null
null
null
null
null
null
null
null
null
null
null
null
null
has coordinates
Foulon, J.-D.; Tijani, N.; Durand, J.; Rafiq, M.; Cot, L. Structure de Ln~2~(PO~3~H)~3~.H~2~O (Ln = Pr, Nd) Acta Crystallographica Section C 49(1) (1993) 1-4
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/2/00/20/2002026.cif $ #-------------------------------------------------------------------...
2,002,027
7.407
0.004
3.625
0.003
9.966
0.003
90
null
109.16
0.03
90
null
252.8
0.3
null
null
null
null
null
null
null
null
3
P 1 21 1
P 2yb
4
- Fe Ta Te3 -
- Fe Ta Te3 -
- Fe2 Ta2 Te6 -
2
1
HE0023
Liu, S.-X.; Cai, G.-L.; Huang, J.-L.
Structure of a new ternary chalcogenide: FeTa(μ~4~-Te)(μ~3~-Te)~2~
Acta Crystallographica Section C
1,993
49
1
4
7
10.1107/S010827019200355X
0.71069
Mo
null
null
null
null
null
null
null
null
null
null
null
null
null
null
has coordinates
Liu, S.-X.; Cai, G.-L.; Huang, J.-L. Structure of a new ternary chalcogenide: FeTa(μ~4~-Te)(μ~3~-Te)~2~ Acta Crystallographica Section C 49(1) (1993) 4-7
205,898
2020-10-21
18:00:00
#------------------------------------------------------------------------------ #$Date: 2018-01-30 16:30:45 +0200 (Tue, 30 Jan 2018) $ #$Revision: 205898 $ #$URL: file:///home/coder/svn-repositories/_RELOADED_COD/cod-reloaded/cif/2/00/20/2002027.cif $ #-------------------------------------------------------------------...
2,002,028
7.5214
0.0005
7.5214
0.0005
9.261
0.001
90
null
90
null
90
null
523.91
0.08
null
null
null
null
null
null
null
null
3
P -4 21 c
P -4 2n
114
- F2 O5 S2 -
- F2 O5 S2 -
- F8 O20 S8 -
4
0.5
HA0109
Blake, A. J.; Žák, Z.
Structure of disulfuryl difluoride at 100 K
Acta Crystallographica Section C
1,993
49
1
7
9
10.1107/S0108270192005547
0.71073
Mo
null
null
null
null
null
null
null
null
null
null
null
null
null
null
has coordinates
Blake, A. J.; Žák, Z. Structure of disulfuryl difluoride at 100 K Acta Crystallographica Section C 49(1) (1993) 7-9
301,791
2025-08-18
23:15:01
#------------------------------------------------------------------------------ #$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/2/00/20/2002028.cif $ #-------------------------------------------------------------------...
2,002,029
10.28
0.001
13.905
0.002
14.533
0.002
90
null
90.3
0.01
90
null
2,077.4
0.5
null
null
null
null
null
null
null
null
6
P 1 21/n 1
-P 2yn
14
- C7 H28 Cl3 Co N6 O13 -
- C7 H26 Cl3 Co N6 O15 -
- C28 H104 Cl12 Co4 N24 O60 -
4
1
AS0569
Searle, G. H.; Tiekink, E. R. T.; Atkinson, I. M.; Keene, F. R.
Structure of the stable isomer of the bis(ethane-1,2-diamine)(<i>N</i>-methylethane-1,2-diamine)cobalt(III) cation, [Co(meen)(en)~2~]^3+^
Acta Crystallographica Section C
1,993
49
1
13
16
10.1107/S0108270192005092
0.7107
Mo
null
null
null
null
null
null
null
null
null
null
null
null
null
null
has coordinates
Searle, G. H.; Tiekink, E. R. T.; Atkinson, I. M.; Keene, F. R. Structure of the stable isomer of the bis(ethane-1,2-diamine)(<i>N</i>-methylethane-1,2-diamine)cobalt(III) cation, [Co(meen)(en)~2~]^3+^ Acta Crystallographica Section C 49(1) (1993) 13-16
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/2/00/20/2002029.cif $ #-------------------------------------------------------------------...
2,002,030
10.891
0.003
8.312
0.002
20.507
0.006
90
null
97.21
0.02
90
null
1,841.7
0.9
null
null
null
null
null
null
null
null
5
P 1 21/n 1
-P 2yn
14
- C28 H44 N2 O20 U -
- C28 H44 N2 O20 U -
- C56 H88 N4 O40 U2 -
2
0.5
DU0322
Deshayes, L.; Keller, N.; Lance, M.; Nierlich, M.; Vigner, D.
Complexes between uranyl nitrate and benzo-15-crown-5: structures of the (2/1) and (1/1) complexes of benzo-15-crown-5–diaquadinitratodioxouranium(VI)
Acta Crystallographica Section C
1,993
49
1
16
19
10.1107/S0108270192004980
0.71073
Mo
null
null
null
null
null
null
null
null
null
null
null
null
null
null
has coordinates
Deshayes, L.; Keller, N.; Lance, M.; Nierlich, M.; Vigner, D. Complexes between uranyl nitrate and benzo-15-crown-5: structures of the (2/1) and (1/1) complexes of benzo-15-crown-5–diaquadinitratodioxouranium(VI) Acta Crystallographica Section C 49(1) (1993) 16-19
301,791
2025-08-18
23:15:01
#------------------------------------------------------------------------------ #$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/2/00/20/2002030.cif $ #-------------------------------------------------------------------...
2,002,031
8.477
0.002
8.809
0.002
16.7
0.003
105.18
0.02
82.42
0.02
110.08
0.02
1,129.2
0.5
null
null
null
null
null
null
null
null
4
P -1
-P 1
2
- C14 H24 N2 O15 -
- C14 H24 N2 O15 U -
- C28 H48 N4 O30 U2 -
2
1
DU0322
Deshayes, L.; Keller, N.; Lance, M.; Nierlich, M.; Vigner, D.
Complexes between uranyl nitrate and benzo-15-crown-5: structures of the (2/1) and (1/1) complexes of benzo-15-crown-5–diaquadinitratodioxouranium(VI)
Acta Crystallographica Section C
1,993
49
1
16
19
10.1107/S0108270192004980
0.71073
Mo
null
null
null
null
null
null
null
null
null
null
null
null
null
null
has coordinates
Deshayes, L.; Keller, N.; Lance, M.; Nierlich, M.; Vigner, D. Complexes between uranyl nitrate and benzo-15-crown-5: structures of the (2/1) and (1/1) complexes of benzo-15-crown-5–diaquadinitratodioxouranium(VI) Acta Crystallographica Section C 49(1) (1993) 16-19
278,247
2022-09-28
15:09:31
#------------------------------------------------------------------------------ #$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/2/00/20/2002031.cif $ #-------------------------------------------------------------------...
2,002,032
22.503
0.005
7.491
0.002
17.367
0.002
90
null
110.76
0.01
90
null
2,737.5
1
null
null
null
null
null
null
null
null
6
C 1 2/c 1
-C 2yc
null
- C20 H32 Cu2 N6 O10 S2 -
- C20 H32 Cu2 N6 O10 S2 -
- C80 H128 Cu8 N24 O40 S8 -
4
0.5
DU0311
Gutiérrez, J. N.; Garcia, E. A.; Viossat, B.; Dung, Nguyen-Huy; Busnot, A.; Hemidy, J. F.
Structure of μ-[cystamine-<i>N</i>,<i>N</i>,<i>N</i>',<i>N</i>'-tetraacetato(4–)]-bis(5-methylimidazole)dicopper(II) dihydrate
Acta Crystallographica Section C
1,993
49
1
19
22
10.1107/S0108270192004682
0.1707
Mo
null
null
null
null
null
null
null
null
null
null
null
null
null
null
has coordinates
Gutiérrez, J. N.; Garcia, E. A.; Viossat, B.; Dung, Nguyen-Huy; Busnot, A.; Hemidy, J. F. Structure of μ-[cystamine-<i>N</i>,<i>N</i>,<i>N</i>',<i>N</i>'-tetraacetato(4–)]-bis(5-methylimidazole)dicopper(II) dihydrate Acta Crystallographica Section C 49(1) (1993) 19-22
301,791
2025-08-18
23:15:01
#------------------------------------------------------------------------------ #$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/2/00/20/2002032.cif $ #-------------------------------------------------------------------...
2,002,033
10.002
0.002
10.639
0.001
15.616
0.004
90
null
102.05
0.02
90
null
1,625.1
0.6
null
null
null
null
null
null
null
null
5
P 1 21/n 1
-P 2yn
14
- C24 H42 Cl6 N4 Sn -
- C24 Cl6 N4 Sn -
- C48 Cl12 N8 Sn2 -
2
0.5
GE0308
Caira, M. R.; Nassimbeni, L. R.; Stephen, A. M.; Van Schalkwyk, T. G. D.
Geometry of the iminium moiety. III. Structures of a chiral form of bis[4,5-dihydro-3,5,5-trimethyl-1-(3'-methylcyclopentylidene)pyrazolium] hexachlorostannate and the racemate
Acta Crystallographica Section C
1,993
49
1
22
26
10.1107/S0108270192005158
0.71069
Mo
null
null
null
null
null
null
null
null
null
null
null
null
null
null
has coordinates
Caira, M. R.; Nassimbeni, L. R.; Stephen, A. M.; Van Schalkwyk, T. G. D. Geometry of the iminium moiety. III. Structures of a chiral form of bis[4,5-dihydro-3,5,5-trimethyl-1-(3'-methylcyclopentylidene)pyrazolium] hexachlorostannate and the racemate Acta Crystallographica Section C 49(1) (1993) 22-26
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/2/00/20/2002033.cif $ #-------------------------------------------------------------------...
2,002,034
9.998
0.002
10.649
0.001
15.637
0.004
90
null
102.03
0.02
90
null
1,628.3
0.6
null
null
null
null
null
null
null
null
5
P 1 21 1
null
- C24 H42 Cl6 N4 Sn -
- C25 Cl6 N4 Sn -
- C50 Cl12 N8 Sn2 -
2
1
GE0308
Caira, M. R.; Nassimbeni, L. R.; Stephen, A. M.; Van Schalkwyk, T. G. D.
Geometry of the iminium moiety. III. Structures of a chiral form of bis[4,5-dihydro-3,5,5-trimethyl-1-(3'-methylcyclopentylidene)pyrazolium] hexachlorostannate and the racemate
Acta Crystallographica Section C
1,993
49
1
22
26
10.1107/S0108270192005158
0.71069
Mo
null
null
null
null
null
null
null
null
null
null
null
null
null
null
has coordinates
Caira, M. R.; Nassimbeni, L. R.; Stephen, A. M.; Van Schalkwyk, T. G. D. Geometry of the iminium moiety. III. Structures of a chiral form of bis[4,5-dihydro-3,5,5-trimethyl-1-(3'-methylcyclopentylidene)pyrazolium] hexachlorostannate and the racemate Acta Crystallographica Section C 49(1) (1993) 22-26
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/2/00/20/2002034.cif $ #-------------------------------------------------------------------...
2,002,035
10.788
0.001
18.56
0.001
8.158
0.001
90
null
96.18
0.01
90
null
1,623.9
0.3
null
null
null
null
null
null
null
null
6
P 1 21/n 1
-P 2yn
14
- C6 H17 Cl5 N2 O2 Sn -
- C6 H17 Cl5 N2 O2 Sn -
- C24 H68 Cl20 N8 O8 Sn4 -
4
1
GE0302
Caira, M. R.; Nassimbeni, L. R.; Stephen, A. M.; Van Schalkwyk, T. G. D.
Geometry of the iminium moiety. IV. Structure of 4,5-dihydro-3,5,5-trimethylpyrazolium aquapentachlorostannate monohydrate
Acta Crystallographica Section C
1,993
49
1
26
30
10.1107/S0108270192005146
0.71069
Mo
null
null
null
null
null
null
null
null
null
null
null
null
null
null
has coordinates
Caira, M. R.; Nassimbeni, L. R.; Stephen, A. M.; Van Schalkwyk, T. G. D. Geometry of the iminium moiety. IV. Structure of 4,5-dihydro-3,5,5-trimethylpyrazolium aquapentachlorostannate monohydrate Acta Crystallographica Section C 49(1) (1993) 26-30
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/2/00/20/2002035.cif $ #-------------------------------------------------------------------...
2,002,036
8.276
0.001
12.032
0.002
12.987
0.002
90
null
97.11
0.01
90
null
1,283.3
0.3
null
null
null
null
null
null
null
null
4
P 1 21/c 1
-P 2ybc
null
- C13 H14 Cl2 Ti -
- C18 H18 Cl2 Ti -
- C72 H72 Cl8 Ti4 -
4
1
CD0086
Gelmini, L.; Puddephatt, R. J.; Vittal, J. J.
Structure of dichloro(η^5^-cyclopentadienyl)(2-propenyl-η^5^-cyclopentadienyl)titanium(IV)
Acta Crystallographica Section C
1,993
49
1
30
33
10.1107/S0108270192004281
0.71073
Mo
null
null
null
null
null
null
null
null
null
null
null
null
null
null
has coordinates
Gelmini, L.; Puddephatt, R. J.; Vittal, J. J. Structure of dichloro(η^5^-cyclopentadienyl)(2-propenyl-η^5^-cyclopentadienyl)titanium(IV) Acta Crystallographica Section C 49(1) (1993) 30-33
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/2/00/20/2002036.cif $ #-------------------------------------------------------------------...
2,002,037
12.284
0.007
14.509
0.004
19.308
0.007
90
null
93.33
0.04
90
null
3,435
3
null
null
null
null
null
null
null
null
6
C 1 2/c 1
-C 2yc
null
- C38 H35 Br2 O2 P2 Re -
- C40 H40 Br2 O2 P2 Re -
- C160 H160 Br8 O8 P8 Re4 -
4
0.5
CD0087
Lebuis, A.-M.; Roux, C.; Beauchamp, A. L.
Structure of <i>trans</i>-dibromo(ethoxo)oxobis(triphenylphosphine)rhenium(V)
Acta Crystallographica Section C
1,993
49
1
33
36
10.1107/S0108270192004748
0.71069
Mo
null
null
null
null
null
null
null
null
null
null
null
null
null
null
has coordinates
Lebuis, A.-M.; Roux, C.; Beauchamp, A. L. Structure of <i>trans</i>-dibromo(ethoxo)oxobis(triphenylphosphine)rhenium(V) Acta Crystallographica Section C 49(1) (1993) 33-36
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/2/00/20/2002037.cif $ #-------------------------------------------------------------------...
2,002,038
6.891
0.002
9.674
0.002
6.946
0.001
90
null
100.07
0.02
90
null
455.91
0.18
null
null
null
null
null
null
null
null
4
P 1 21/c 1
-P 2ybc
null
- C4 H4 N2 O2 -
- C4 H4 N2 O2 -
- C16 H16 N8 O8 -
4
1
HU0409
Katrusiak, A.
A new polymorph of maleic hydrazide
Acta Crystallographica Section C
1,993
49
1
36
39
10.1107/S0108270192004918
1.54178
Cu
null
null
null
null
null
null
null
null
null
null
null
null
null
null
has coordinates
Katrusiak, A. A new polymorph of maleic hydrazide Acta Crystallographica Section C 49(1) (1993) 36-39
301,791
2025-08-18
23:15:01
#------------------------------------------------------------------------------ #$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/2/00/20/2002038.cif $ #-------------------------------------------------------------------...
2,002,039
11.831
0.002
11.831
0.002
19.948
0.007
90
null
90
null
120
null
2,418.1
1
null
null
null
null
null
null
null
null
4
P 32 2 1
P 32 2"
null
- C14 H25 N O5 -
- C14 H25 N O5 -
- C84 H150 N6 O30 -
6
1
AL1005
Gallagher, T.; Giles, M. E.; Mahon, M. F.; Molloy, K. C.; Hadley, M. S.
Structure of 1,2,4-trideoxy-1,4-imino-3,5;6,7-di-<i>O</i>-isopropylidene-<small>L</small>-<i>glycero</i>-<small>D</small>-<i>gluco</i>-octitol: a key intermediate in the enantioselective synthesis of 8-epicastanospermine
Acta Crystallographica Section C
1,993
49
1
40
42
10.1107/S0108270192004517
0.71069
Mo
null
null
null
null
null
null
null
null
null
null
null
null
null
null
has coordinates
Gallagher, T.; Giles, M. E.; Mahon, M. F.; Molloy, K. C.; Hadley, M. S. Structure of 1,2,4-trideoxy-1,4-imino-3,5;6,7-di-<i>O</i>-isopropylidene-<small>L</small>-<i>glycero</i>-<small>D</small>-<i>gluco</i>-octitol: a key intermediate in the enantioselective synthesis of 8-epicastanospermine Acta Crystallographica Sect...
301,791
2025-08-18
23:15:01
#------------------------------------------------------------------------------ #$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/2/00/20/2002039.cif $ #-------------------------------------------------------------------...
2,002,040
8.291
0.002
10.759
0.003
13.169
0.003
108.42
0.02
93.28
0.02
100.3
0.3
1,088.4
1.4
null
null
null
null
null
null
null
null
6
P -1
-P 1
2
- C19 H23 Cl2 N5 O3 S -
- C19 H23 Cl2 N5 O3 S -
- C38 H46 Cl4 N10 O6 S2 -
2
1
HA0106
Prout, K.; Burns, K.; Watkin, D. J.; Durant, G. J.; Brown, T. H.
Structure of oxmetidine dihydrochloride (SKF 92994)
Acta Crystallographica Section C
1,993
49
1
44
46
10.1107/S0108270192003548
0.7107
Mo
null
null
null
null
null
null
null
null
null
null
null
null
null
null
has coordinates
Prout, K.; Burns, K.; Watkin, D. J.; Durant, G. J.; Brown, T. H. Structure of oxmetidine dihydrochloride (SKF 92994) Acta Crystallographica Section C 49(1) (1993) 44-46
301,791
2025-08-18
23:15:01
#------------------------------------------------------------------------------ #$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/2/00/20/2002040.cif $ #-------------------------------------------------------------------...
2,002,041
7.057
0.002
13.017
0.003
13.982
0.003
90
null
92.57
0.04
90
null
1,283.1
0.5
null
null
null
null
null
null
null
null
5
P 1 21/c 1
-P 2ybc
null
- C10 H16 Cl2 N2 O2 -
- C10 H16 Cl2 N2 O2 -
- C40 H64 Cl8 N8 O8 -
4
1
CD0059
Zhan, Y.; Barton, R. J.; Robertson, B. E.
Structure of 2,3-naphthalenediamine dihydrochloride dihydrate
Acta Crystallographica Section C
1,993
49
1
46
48
10.1107/S0108270192004736
0.71069
Mo
null
null
null
null
null
null
null
null
null
null
null
null
null
null
has coordinates
Zhan, Y.; Barton, R. J.; Robertson, B. E. Structure of 2,3-naphthalenediamine dihydrochloride dihydrate Acta Crystallographica Section C 49(1) (1993) 46-48
301,791
2025-08-18
23:15:01
#------------------------------------------------------------------------------ #$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/2/00/20/2002041.cif $ #-------------------------------------------------------------------...
2,002,042
5.945
0.001
10.941
0.002
18.277
0.004
90
null
90
null
90
null
1,188.8
0.4
null
null
null
null
null
null
null
null
4
P 21 21 21
P 2ac 2ab
19
- C11 H10 N4 O4 -
- C11 H10 N4 O4 -
- C44 H40 N16 O16 -
4
1
CR0389
Cheer, C. J.; Kavounis, C. A.; Bozopoulos, A. P.; Rentzeperis, P. J.; Theocharis, A. B.
Structure of 1-(4-nitrobenzoyloxy)-4,5-dimethyl-1,2,3-triazole
Acta Crystallographica Section C
1,993
49
1
49
52
10.1107/S0108270192005195
0.71073
Mo
null
null
null
null
null
null
null
null
null
null
null
null
null
null
has coordinates,has disorder
Cheer, C. J.; Kavounis, C. A.; Bozopoulos, A. P.; Rentzeperis, P. J.; Theocharis, A. B. Structure of 1-(4-nitrobenzoyloxy)-4,5-dimethyl-1,2,3-triazole Acta Crystallographica Section C 49(1) (1993) 49-52
301,791
2025-08-18
23:15:01
#------------------------------------------------------------------------------ #$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/2/00/20/2002042.cif $ #-------------------------------------------------------------------...
2,002,043
7.611
0.003
9.427
0.005
18.603
0.014
90
null
90
null
90
null
1,334.7
1.3
null
null
null
null
null
null
null
null
3
C m c e
-C 2ac 2
64
- C7 F5 N -
- C7 F5 N -
- C56 F40 N8 -
8
0.5
SH1000
Lentz, D.; Preugschat, D.
Structure of pentafluorophenyl isocyanide at 115 K
Acta Crystallographica Section C
1,993
49
1
52
54
10.1107/S0108270192006462
0.71069
Mo
null
null
null
null
null
null
null
null
null
null
null
null
null
null
has coordinates
Lentz, D.; Preugschat, D. Structure of pentafluorophenyl isocyanide at 115 K Acta Crystallographica Section C 49(1) (1993) 52-54
301,791
2025-08-18
23:15:01
#------------------------------------------------------------------------------ #$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/2/00/20/2002043.cif $ #-------------------------------------------------------------------...
2,002,044
23.073
0.001
17.34
0.003
7.299
0.001
90
null
90
null
90
null
2,920.2
0.7
null
null
null
null
null
null
null
null
4
P b c a
-P 2ac 2ab
null
- C17 H18 O3 S -
- C17 H18 O3 S -
- C136 H144 O24 S8 -
8
1
AS0338
Thinapong, P.; Pohmakotr, M.; Skelton, B.; White, A. H.
Structures of two diastereomers of 1-(α-hydroxy-<i>m</i>-methoxybenzyl)-1-(phenylsulfinyl)cyclopropane
Acta Crystallographica Section C
1,993
49
1
54
57
10.1107/S0108270192004529
0.71069
Mo
null
null
null
null
null
null
null
null
null
null
null
null
null
null
has coordinates
Thinapong, P.; Pohmakotr, M.; Skelton, B.; White, A. H. Structures of two diastereomers of 1-(α-hydroxy-<i>m</i>-methoxybenzyl)-1-(phenylsulfinyl)cyclopropane Acta Crystallographica Section C 49(1) (1993) 54-57
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/2/00/20/2002044.cif $ #-------------------------------------------------------------------...
2,002,045
9.873
0.009
10.009
0.005
11.024
0.007
56.67
0.03
55.68
0.05
69.65
0.05
750.6
1
null
null
null
null
null
null
null
null
4
P -1
-P 1
2
- C17 H18 O3 S -
- C17 H18 O3 S -
- C34 H36 O6 S2 -
2
1
AS0338
Thinapong, P.; Pohmakotr, M.; Skelton, B.; White, A. H.
Structures of two diastereomers of 1-(α-hydroxy-<i>m</i>-methoxybenzyl)-1-(phenylsulfinyl)cyclopropane
Acta Crystallographica Section C
1,993
49
1
54
57
10.1107/S0108270192004529
0.71069
Mo
null
null
null
null
null
null
null
null
null
null
null
null
null
null
has coordinates
Thinapong, P.; Pohmakotr, M.; Skelton, B.; White, A. H. Structures of two diastereomers of 1-(α-hydroxy-<i>m</i>-methoxybenzyl)-1-(phenylsulfinyl)cyclopropane Acta Crystallographica Section C 49(1) (1993) 54-57
301,791
2025-08-18
23:15:01
#------------------------------------------------------------------------------ #$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/2/00/20/2002045.cif $ #-------------------------------------------------------------------...
2,002,046
11.213
0.002
6.168
0.001
15.268
0.003
90
null
95.07
0.01
90
null
1,051.8
0.3
null
null
null
null
null
null
null
null
4
P 1 21/c 1
-P 2ybc
null
- C12 H17 N O -
- C12 H17 N O -
- C48 H68 N4 O4 -
4
1
SH1003
Siemund, V.; Irngartinger, H.; Sigwart, C.; Kissler, B.; Gleiter, R.
Structures of four tricyclo[3.3.0.0^3,7^]octanes and a 4-oxatetracyclo[4.2.1.0 ^2,5^.0^3,7^]nonane derivative
Acta Crystallographica Section C
1,993
49
1
57
62
10.1107/S0108270192005936
0.7107
Mo
null
null
null
null
null
null
null
null
null
null
null
null
null
null
has coordinates
Siemund, V.; Irngartinger, H.; Sigwart, C.; Kissler, B.; Gleiter, R. Structures of four tricyclo[3.3.0.0^3,7^]octanes and a 4-oxatetracyclo[4.2.1.0 ^2,5^.0^3,7^]nonane derivative Acta Crystallographica Section C 49(1) (1993) 57-62
301,791
2025-08-18
23:15:01
#------------------------------------------------------------------------------ #$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/2/00/20/2002046.cif $ #-------------------------------------------------------------------...
2,002,047
9.532
0.001
9.218
0.001
13.496
0.002
90
null
97.57
0.01
90
null
1,175.5
0.3
null
null
null
null
null
null
null
null
3
P 1 21/n 1
-P 2yn
14
- C14 H18 O -
- C14 H18 O -
- C56 H72 O4 -
4
1
SH1003
Siemund, V.; Irngartinger, H.; Sigwart, C.; Kissler, B.; Gleiter, R.
Structures of four tricyclo[3.3.0.0^3,7^]octanes and a 4-oxatetracyclo[4.2.1.0 ^2,5^.0^3,7^]nonane derivative
Acta Crystallographica Section C
1,993
49
1
57
62
10.1107/S0108270192005936
0.7107
Mo
null
null
null
null
null
null
null
null
null
null
null
null
null
null
has coordinates
Siemund, V.; Irngartinger, H.; Sigwart, C.; Kissler, B.; Gleiter, R. Structures of four tricyclo[3.3.0.0^3,7^]octanes and a 4-oxatetracyclo[4.2.1.0 ^2,5^.0^3,7^]nonane derivative Acta Crystallographica Section C 49(1) (1993) 57-62
301,791
2025-08-18
23:15:01
#------------------------------------------------------------------------------ #$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/2/00/20/2002047.cif $ #-------------------------------------------------------------------...
2,002,048
8.618
0.001
22.054
0.005
7.871
0.001
90
null
93.24
0.01
90
null
1,493.6
0.4
null
null
null
null
null
null
null
null
3
P 1 21/c 1
-P 2ybc
null
- C17 H24 O -
- C17 H24 O -
- C68 H96 O4 -
4
1
SH1003
Siemund, V.; Irngartinger, H.; Sigwart, C.; Kissler, B.; Gleiter, R.
Structures of four tricyclo[3.3.0.0^3,7^]octanes and a 4-oxatetracyclo[4.2.1.0 ^2,5^.0^3,7^]nonane derivative
Acta Crystallographica Section C
1,993
49
1
57
62
10.1107/S0108270192005936
0.7107
Mo
null
null
null
null
null
null
null
null
null
null
null
null
null
null
has coordinates
Siemund, V.; Irngartinger, H.; Sigwart, C.; Kissler, B.; Gleiter, R. Structures of four tricyclo[3.3.0.0^3,7^]octanes and a 4-oxatetracyclo[4.2.1.0 ^2,5^.0^3,7^]nonane derivative Acta Crystallographica Section C 49(1) (1993) 57-62
301,791
2025-08-18
23:15:01
#------------------------------------------------------------------------------ #$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/2/00/20/2002048.cif $ #-------------------------------------------------------------------...
2,002,049
11.796
0.003
11.483
0.002
11.312
0.002
90
null
96.1
0.02
90
null
1,523.6
0.5
null
null
null
null
null
null
null
null
3
P 1 21/c 1
-P 2ybc
null
- C18 H24 O -
- C18 H24 O -
- C72 H96 O4 -
4
1
SH1003
Siemund, V.; Irngartinger, H.; Sigwart, C.; Kissler, B.; Gleiter, R.
Structures of four tricyclo[3.3.0.0^3,7^]octanes and a 4-oxatetracyclo[4.2.1.0 ^2,5^.0^3,7^]nonane derivative
Acta Crystallographica Section C
1,993
49
1
57
62
10.1107/S0108270192005936
0.7107
Mo
null
null
null
null
null
null
null
null
null
null
null
null
null
null
has coordinates
Siemund, V.; Irngartinger, H.; Sigwart, C.; Kissler, B.; Gleiter, R. Structures of four tricyclo[3.3.0.0^3,7^]octanes and a 4-oxatetracyclo[4.2.1.0 ^2,5^.0^3,7^]nonane derivative Acta Crystallographica Section C 49(1) (1993) 57-62
301,791
2025-08-18
23:15:01
#------------------------------------------------------------------------------ #$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/2/00/20/2002049.cif $ #-------------------------------------------------------------------...
2,002,050
9.675
0.002
12.997
0.002
6.454
0.001
91.14
0.02
100.51
0.02
70.34
0.02
750.7
0.3
null
null
null
null
null
null
null
null
3
P -1
-P 1
2
- C17 H24 O -
- C17 H24 O -
- C34 H48 O2 -
2
1
SH1003
Siemund, V.; Irngartinger, H.; Sigwart, C.; Kissler, B.; Gleiter, R.
Structures of four tricyclo[3.3.0.0^3,7^]octanes and a 4-oxatetracyclo[4.2.1.0 ^2,5^.0^3,7^]nonane derivative
Acta Crystallographica Section C
1,993
49
1
57
62
10.1107/S0108270192005936
0.7107
Mo
null
null
null
null
null
null
null
null
null
null
null
null
null
null
has coordinates
Siemund, V.; Irngartinger, H.; Sigwart, C.; Kissler, B.; Gleiter, R. Structures of four tricyclo[3.3.0.0^3,7^]octanes and a 4-oxatetracyclo[4.2.1.0 ^2,5^.0^3,7^]nonane derivative Acta Crystallographica Section C 49(1) (1993) 57-62
301,791
2025-08-18
23:15:01
#------------------------------------------------------------------------------ #$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/2/00/20/2002050.cif $ #-------------------------------------------------------------------...
2,002,051
7.136
0.001
12.342
0.001
20.049
0.003
90
null
90
null
90
null
1,765.8
0.4
null
null
null
null
null
null
null
null
3
P 21 21 21
P 2ac 2ab
19
- C21 H28 O4 -
- C21 H28 O4 -
- C84 H112 O16 -
4
1
LI1003
Dastidar, P.; Joseph, T.; Madyastha, K. M.; Guru Row, T. N.
Structure of pregna-4,16-diene-7α,14α-diol-3,20-dione
Acta Crystallographica Section C
1,993
49
1
62
64
10.1107/S0108270192004566
1.54184
Cu
null
null
null
null
null
null
null
null
null
null
null
null
null
null
has coordinates
Dastidar, P.; Joseph, T.; Madyastha, K. M.; Guru Row, T. N. Structure of pregna-4,16-diene-7α,14α-diol-3,20-dione Acta Crystallographica Section C 49(1) (1993) 62-64
301,791
2025-08-18
23:15:01
#------------------------------------------------------------------------------ #$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/2/00/20/2002051.cif $ #-------------------------------------------------------------------...
2,002,052
6.954
0.001
9.049
0.001
11.541
0.002
73.87
0.01
74.47
0.01
87.79
0.01
671.67
0.18
null
null
null
null
null
null
null
null
6
P -1
-P 1
2
- C13 H16 Cl N O S -
- C13 H16 Cl N O S -
- C26 H32 Cl2 N2 O2 S2 -
2
1
HH1001
Shin, W.; Chae, C. H.
Structure of 3-benzyl-5-(2-hydroxyethyl)-4-methyl-1,3-thiazolium chloride
Acta Crystallographica Section C
1,993
49
1
68
70
10.1107/S0108270192005638
1.5418
Cu
null
null
null
null
null
null
null
null
null
null
null
null
null
null
has coordinates
Shin, W.; Chae, C. H. Structure of 3-benzyl-5-(2-hydroxyethyl)-4-methyl-1,3-thiazolium chloride Acta Crystallographica Section C 49(1) (1993) 68-70
301,791
2025-08-18
23:15:01
#------------------------------------------------------------------------------ #$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/2/00/20/2002052.cif $ #-------------------------------------------------------------------...
2,002,053
12.002
0.002
11.013
0.002
12.652
0.003
90
null
106.24
0.03
90
null
1,605.6
0.6
null
null
null
null
null
null
null
null
3
P 1 21/a 1
-P 2yab
14
- C20 H20 O3 -
- C20 H20 O3 -
- C80 H80 O12 -
4
1
CD0080
Alex, G.; Srinivasan, S.; Krishnasamy, V.; Suresh, R. V.; Iyer, R.; Iyer, P. R.
Structure of a chalcone
Acta Crystallographica Section C
1,993
49
1
70
72
10.1107/S0108270192006152
0.71069
Mo
null
null
null
null
null
null
null
null
null
null
null
null
null
null
has coordinates
Alex, G.; Srinivasan, S.; Krishnasamy, V.; Suresh, R. V.; Iyer, R.; Iyer, P. R. Structure of a chalcone Acta Crystallographica Section C 49(1) (1993) 70-72
301,791
2025-08-18
23:15:01
#------------------------------------------------------------------------------ #$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/2/00/20/2002053.cif $ #-------------------------------------------------------------------...
2,002,054
14.659
0.001
16.591
0.001
37.558
0.005
90
null
90.38
0.01
90
null
9,134.2
1.5
null
null
null
null
null
null
null
null
4
C 1 2/c 1
-C 2yc
null
- C50 H62 N2 O4 -
- C50 H62 N2 O4 -
- C400 H496 N16 O32 -
8
1
PA1003
Guelzim, A.; Khrifi, S.; Baert, F.; Loeber, C.; Asfari, Z.; Matt, D.; Vicens, J.
Structure of 5,11,17,23-tetra-<i>tert</i>-butyl-25,27-dicyanomethoxy-26,28-dimethoxycalix[4]arene
Acta Crystallographica Section C
1,993
49
1
72
75
10.1107/S0108270192007005
0.7107
Mo
null
null
null
null
null
null
null
null
null
null
null
null
null
null
has coordinates
Guelzim, A.; Khrifi, S.; Baert, F.; Loeber, C.; Asfari, Z.; Matt, D.; Vicens, J. Structure of 5,11,17,23-tetra-<i>tert</i>-butyl-25,27-dicyanomethoxy-26,28-dimethoxycalix[4]arene Acta Crystallographica Section C 49(1) (1993) 72-75
301,791
2025-08-18
23:15:02
#------------------------------------------------------------------------------ #$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/2/00/20/2002054.cif $ #-------------------------------------------------------------------...
2,002,055
9.1584
0.0014
6.91
0.003
20.224
0.004
90
null
96.241
0.014
90
null
1,272.3
0.6
null
null
null
null
null
null
null
null
5
P 1 21 1
P 2yb
4
- C25 H30 B Br O6 -
- C25 H30 B Br O6 -
- C50 H60 B2 Br2 O12 -
2
1
BR1003
Drouin, M.; Michel, A. G.; Guindon, Y.; Ogilvie, W.
Structure of dimethyl (2<i>R</i>,3<i>R</i>)-2-{[(<i>S</i>)-bromo(cyclohexyl)methyl]oxy}-3-[(diphenylboryl)oxy]-1,4-butanedioate
Acta Crystallographica Section C
1,993
49
1
75
77
10.1107/S0108270192005973
0.71069
Mo
null
null
null
null
null
null
null
null
null
null
null
null
null
null
has coordinates
Drouin, M.; Michel, A. G.; Guindon, Y.; Ogilvie, W. Structure of dimethyl (2<i>R</i>,3<i>R</i>)-2-{[(<i>S</i>)-bromo(cyclohexyl)methyl]oxy}-3-[(diphenylboryl)oxy]-1,4-butanedioate Acta Crystallographica Section C 49(1) (1993) 75-77
301,791
2025-08-18
23:15:10
#------------------------------------------------------------------------------ #$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/2/00/20/2002055.cif $ #-------------------------------------------------------------------...
2,002,056
7.234
0.003
5.181
0.001
11.524
0.003
90
null
92.94
0.03
90
null
431.3
0.2
null
null
null
null
null
null
null
null
3
P 1 21/c 1
-P 2ybc
14
- B2 Ca2 O5 -
- B2 Ca2 O5 -
- B8 Ca8 O20 -
4
1
AB0264
Ji, Y.; Liang, J.; Xie, S.; Zhu, N.; Li, Y.
Structure of 2CaO.B~2~O~3~
Acta Crystallographica Section C
1,993
49
1
78
79
10.1107/S0108270192002130
0.71073
Mo
null
null
null
null
null
null
null
null
null
null
null
null
null
null
has coordinates
Ji, Y.; Liang, J.; Xie, S.; Zhu, N.; Li, Y. Structure of 2CaO.B~2~O~3~ Acta Crystallographica Section C 49(1) (1993) 78-79
301,791
2025-08-18
23:15:12
#------------------------------------------------------------------------------ #$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/2/00/20/2002056.cif $ #-------------------------------------------------------------------...
2,002,057
16.167
0.004
10.186
0.002
33.424
0.007
90
null
99.94
0.02
90
null
5,422
2
null
null
null
null
null
null
null
null
7
P 1 21/n 1
-P 2yn
14
- C51 H30 Cl N O15 P2 Rh6 -
- C51 H30 Cl N O15 P2 Rh6 -
- C204 H120 Cl4 N4 O60 P8 Rh24 -
4
1
ST0574
Rheingold, A. L.; White, C. B.; Macklin, P. D.; Geoffroy, G. L.
Bis(triphenylphosphine)iminium tetra-μ~3~-carbonyl-undecacarbonylchloro-<i>octahedro</i>-hexarhodium
Acta Crystallographica Section C
1,993
49
1
80
81
10.1107/S0108270192005018
0.71073
Mo
null
null
null
null
null
null
null
null
null
null
null
null
null
null
has coordinates
Rheingold, A. L.; White, C. B.; Macklin, P. D.; Geoffroy, G. L. Bis(triphenylphosphine)iminium tetra-μ~3~-carbonyl-undecacarbonylchloro-<i>octahedro</i>-hexarhodium Acta Crystallographica Section C 49(1) (1993) 80-81
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/2/00/20/2002057.cif $ #-------------------------------------------------------------------...
2,002,058
10.439
0.002
12.605
0.001
13.307
0.001
107.77
0.01
100.45
0.01
107.76
0.01
1,513.5
0.4
null
null
null
null
null
null
null
null
7
P -1
-P 1
2
- C33 H25 F3 Fe O3 P Rh -
- C33 H25 F3 Fe O3 P Rh -
- C66 H50 F6 Fe2 O6 P2 Rh2 -
2
1
AL0523
Lamprecht, G. J.; Swarts, J. C.; Conradie, J.; Leipoldt, J. G.
Structure of carbonyl[(ferrocenecarbonyl)trifluoroacetonato-κ<i>O</i>,κ<i>O</i>]triphenylphosphinerhodium(I)
Acta Crystallographica Section C
1,993
49
1
82
84
10.1107/S0108270192002506
0.71073
Mo
null
null
null
null
null
null
null
null
null
null
null
null
null
null
has coordinates
Lamprecht, G. J.; Swarts, J. C.; Conradie, J.; Leipoldt, J. G. Structure of carbonyl[(ferrocenecarbonyl)trifluoroacetonato-κ<i>O</i>,κ<i>O</i>]triphenylphosphinerhodium(I) Acta Crystallographica Section C 49(1) (1993) 82-84
208,360
2020-10-21
18:00:00
#------------------------------------------------------------------------------ #$Date: 2018-06-14 04:32:00 +0300 (Thu, 14 Jun 2018) $ #$Revision: 208360 $ #$URL: file:///home/coder/svn-repositories/_RELOADED_COD/cod-reloaded/cif/2/00/20/2002058.cif $ #-------------------------------------------------------------------...
2,002,059
8.774
0.001
15.474
0.002
8.635
0.001
90
null
90.56
0.01
90
null
1,172.3
0.2
null
null
null
null
null
null
null
null
5
C 1 2/c 1
-C 2yc
null
- C10 H10 Cl2 N2 Pd -
- C10 H10 Cl2 N2 Pd -
- C40 H40 Cl8 N8 Pd4 -
4
0.5
DU1002
Viossat, B.; Dung, Nguyen-Huy; Robert, F.
Structure du <i>trans</i>-dichlorobis(pyridine)palladium(II)
Acta Crystallographica Section C
1,993
49
1
84
85
10.1107/S0108270192004438
0.7107
Mo
null
null
null
null
null
null
null
null
null
null
null
null
null
null
has coordinates
Viossat, B.; Dung, Nguyen-Huy; Robert, F. Structure du <i>trans</i>-dichlorobis(pyridine)palladium(II) Acta Crystallographica Section C 49(1) (1993) 84-85
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/2/00/20/2002059.cif $ #-------------------------------------------------------------------...
2,002,060
12.4367
0.0008
12.719
0.0006
18.0229
0.0008
90
null
90
null
90
null
2,850.9
0.3
null
null
null
null
null
null
null
null
7
P n m a
-P 2ac 2n
62
- C25 H27 F6 O P2 Rh S3 -
- C31 H39 F14 O P2 Rh S3 -
- C124 H156 F56 O4 P8 Rh4 S12 -
4
0.5
HA0111
Blake, A. J.; Halcrow, M. A.; Schröder, M.
[Rh([9]aneS~3~)(CO)(PPh~3~)]^+^.PF~6~^{-^}
Acta Crystallographica Section C
1,993
49
1
85
87
10.1107/S0108270192004943
0.71073
Mo
null
null
null
null
null
null
null
null
null
null
null
null
null
null
has coordinates
Blake, A. J.; Halcrow, M. A.; Schröder, M. [Rh([9]aneS~3~)(CO)(PPh~3~)]^+^.PF~6~^{-^} Acta Crystallographica Section C 49(1) (1993) 85-87
278,244
2022-09-28
13:56:22
#------------------------------------------------------------------------------ #$Date: 2022-09-28 16:56:03 +0300 (Wed, 28 Sep 2022) $ #$Revision: 278244 $ #$URL: file:///home/coder/svn-repositories/_RELOADED_COD/cod-reloaded/cif/2/00/20/2002060.cif $ #-------------------------------------------------------------------...
2,002,061
11.415
0.005
11.185
0.005
9.075
0.004
90
null
96.93
0.03
90
null
1,150.2
0.9
null
null
null
null
null
null
null
null
5
P 1 21 1
P 2yb
4
- C22 H25 N Ni S4 -
- C22 H25 N Ni S4 -
- C44 H50 N2 Ni2 S8 -
2
1
HA1008
Anderson, I. H.; Blake, A. J.; Heath, G. A.
(Diisopropyldithiocarbamato-<i>S</i>,<i>S</i>')(1,3-diphenyl-1,3-propanedithionato-<i>S</i>,<i>S</i>')nickel(II)
Acta Crystallographica Section C
1,993
49
1
87
89
10.1107/S0108270192005560
0.71073
Mo
null
null
null
null
null
null
null
null
null
null
null
null
null
null
has coordinates
Anderson, I. H.; Blake, A. J.; Heath, G. A. (Diisopropyldithiocarbamato-<i>S</i>,<i>S</i>')(1,3-diphenyl-1,3-propanedithionato-<i>S</i>,<i>S</i>')nickel(II) Acta Crystallographica Section C 49(1) (1993) 87-89
205,898
2020-10-21
18:00:00
#------------------------------------------------------------------------------ #$Date: 2018-01-30 16:30:45 +0200 (Tue, 30 Jan 2018) $ #$Revision: 205898 $ #$URL: file:///home/coder/svn-repositories/_RELOADED_COD/cod-reloaded/cif/2/00/20/2002061.cif $ #-------------------------------------------------------------------...
2,002,062
7.969
0.002
8.402
0.002
14.747
0.003
103.24
0.03
90.05
0.03
111.29
0.03
891.7
0.4
null
null
null
null
null
null
null
null
5
P -1
-P 1
2
- C12 H16 Cl3 N8 Rh -
- C12 H16 Cl3 N8 Rh -
- C24 H32 Cl6 N16 Rh2 -
2
1
ST0582
Ma, R.; Li, Y.-J.; Muir, J. A.; Muir, M. M.
Structure of <i>trans</i>-dichlorotetrakis(pyrazole-<i>N</i>^2^) rhodium(III) chloride
Acta Crystallographica Section C
1,993
49
1
89
91
10.1107/S0108270192004293
0.71073
Mo
null
null
null
null
null
null
null
null
null
null
null
null
null
null
has coordinates
Ma, R.; Li, Y.-J.; Muir, J. A.; Muir, M. M. Structure of <i>trans</i>-dichlorotetrakis(pyrazole-<i>N</i>^2^) rhodium(III) chloride Acta Crystallographica Section C 49(1) (1993) 89-91
208,360
2020-10-21
18:00:00
#------------------------------------------------------------------------------ #$Date: 2018-06-14 04:32:00 +0300 (Thu, 14 Jun 2018) $ #$Revision: 208360 $ #$URL: file:///home/coder/svn-repositories/_RELOADED_COD/cod-reloaded/cif/2/00/20/2002062.cif $ #-------------------------------------------------------------------...
2,002,063
16.632
0.004
16.906
0.003
19.332
0.003
90
null
93.15
0.02
90
null
5,427.6
1.8
null
null
null
null
null
null
null
null
8
P 1 21/c 1
-P 2ybc
14
- C55 H40 Cl2 Co2 Mn O8 P2 Sb -
- C55 H40 Cl2 Co2 Mn O8 P2 Sb -
- C220 H160 Cl8 Co8 Mn4 O32 P8 Sb4 -
4
1
LI1004
Farrugia, L. J.; Norman, N. C.; Webster, P. M.
Structure of [SbCl{Mn(CO)~2~(η^5^-C~5~H~5~)}{Co(CO)~3~(PPh~3~)}~2~].C~6~H~5~Cl
Acta Crystallographica Section C
1,993
49
1
91
93
10.1107/S0108270192004578
0.71069
Mo
null
null
null
null
null
null
null
null
null
null
null
null
null
null
has coordinates
Farrugia, L. J.; Norman, N. C.; Webster, P. M. Structure of [SbCl{Mn(CO)~2~(η^5^-C~5~H~5~)}{Co(CO)~3~(PPh~3~)}~2~].C~6~H~5~Cl Acta Crystallographica Section C 49(1) (1993) 91-93
208,377
2020-10-21
18:00:00
#------------------------------------------------------------------------------ #$Date: 2018-06-14 15:53:24 +0300 (Thu, 14 Jun 2018) $ #$Revision: 208377 $ #$URL: file:///home/coder/svn-repositories/_RELOADED_COD/cod-reloaded/cif/2/00/20/2002063.cif $ #-------------------------------------------------------------------...
2,002,064
6.486
0.002
10.921
0.002
12.542
0.001
79.9
0.01
88.87
0.02
73.5
0.02
838.2
0.3
null
null
null
null
null
null
null
null
4
P -1
-P 1
2
- C20 H23 N O -
- C20 H23 N O -
- C40 H46 N2 O2 -
2
1
AB0270
Sekar, K.; Parthasarathy, S.; Radhakrishnan, T. R.
Structure of 4-piperidone derivatives. III. 1,3,3-Trimethyl-2,6-diphenyl-4-piperidone and 2,6-bis(<i>p</i>-chlorophenyl)-1,3,5-trimethyl-4-piperidone
Acta Crystallographica Section C
1,993
49
1
93
95
10.1107/S0108270192004207
1.5418
Cu
null
null
null
null
null
null
null
null
null
null
null
null
null
null
has coordinates
Sekar, K.; Parthasarathy, S.; Radhakrishnan, T. R. Structure of 4-piperidone derivatives. III. 1,3,3-Trimethyl-2,6-diphenyl-4-piperidone and 2,6-bis(<i>p</i>-chlorophenyl)-1,3,5-trimethyl-4-piperidone Acta Crystallographica Section C 49(1) (1993) 93-95
301,791
2025-08-18
23:15:12
#------------------------------------------------------------------------------ #$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/2/00/20/2002064.cif $ #-------------------------------------------------------------------...
2,002,065
7.42
0.002
23.118
0.001
10.624
0.002
90
null
90
null
90
null
1,822.4
0.6
null
null
null
null
null
null
null
null
5
P n m a
-P 2ac 2n
62
- C20 H21 Cl2 N O -
- C20 H21 Cl2 N O -
- C80 H84 Cl8 N4 O4 -
4
0.5
AB0270
Sekar, K.; Parthasarathy, S.; Radhakrishnan, T. R.
Structure of 4-piperidone derivatives. III. 1,3,3-Trimethyl-2,6-diphenyl-4-piperidone and 2,6-bis(<i>p</i>-chlorophenyl)-1,3,5-trimethyl-4-piperidone
Acta Crystallographica Section C
1,993
49
1
93
95
10.1107/S0108270192004207
1.5418
Cu
null
null
null
null
null
null
null
null
null
null
null
null
null
null
has coordinates
Sekar, K.; Parthasarathy, S.; Radhakrishnan, T. R. Structure of 4-piperidone derivatives. III. 1,3,3-Trimethyl-2,6-diphenyl-4-piperidone and 2,6-bis(<i>p</i>-chlorophenyl)-1,3,5-trimethyl-4-piperidone Acta Crystallographica Section C 49(1) (1993) 93-95
301,791
2025-08-18
23:15:21
#------------------------------------------------------------------------------ #$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/2/00/20/2002065.cif $ #-------------------------------------------------------------------...
2,002,066
7.383
0.001
13.134
0.005
14.51
null
90
null
90
null
90
null
1,407
0.6
null
null
null
null
null
null
null
null
4
P 21 21 21
P 2ac 2ab
null
- C13 H19 N O5 -
- C13 H19 N O5 -
- C52 H76 N4 O20 -
4
1
KA1001
Soriano-García, M.
Refinement of the structure of <i>N</i>-acetyl-<small>L</small>-tyrosine ethyl ester monohydrate
Acta Crystallographica Section C
1,993
49
1
96
97
10.1107/S0108270192004724
1.5418
Cu
null
null
null
null
null
null
null
null
null
null
null
null
null
null
has coordinates
Soriano-García, M. Refinement of the structure of <i>N</i>-acetyl-<small>L</small>-tyrosine ethyl ester monohydrate Acta Crystallographica Section C 49(1) (1993) 96-97
301,791
2025-08-18
23:15:21
#------------------------------------------------------------------------------ #$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/2/00/20/2002066.cif $ #-------------------------------------------------------------------...
2,002,067
8.929
0.002
8.99
0.002
8.094
0.002
103.79
0.02
116.71
0.02
67.86
0.02
535.7
0.2
null
null
null
null
null
null
null
null
4
P -1
-P 1
2
- C13 H15 N O -
- C13 H15 N O -
- C26 H30 N2 O2 -
2
1
AB0271
Sekar, K.; Parthasarathy, S.; Prabahar, K. J.; Ramakrishnan, V. T.
Structure of 1,8-dimethyl-4-oxo-1,2,2a,3,4,5-hexahydrocyclopenta[<i>de</i>]quinoline
Acta Crystallographica Section C
1,993
49
1
97
99
10.1107/S0108270192004219
1.5418
Cu
null
null
null
null
null
null
null
null
null
null
null
null
null
null
has coordinates
Sekar, K.; Parthasarathy, S.; Prabahar, K. J.; Ramakrishnan, V. T. Structure of 1,8-dimethyl-4-oxo-1,2,2a,3,4,5-hexahydrocyclopenta[<i>de</i>]quinoline Acta Crystallographica Section C 49(1) (1993) 97-99
301,791
2025-08-18
23:15:21
#------------------------------------------------------------------------------ #$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/2/00/20/2002067.cif $ #-------------------------------------------------------------------...
2,002,068
14.422
0.003
7.468
0.008
8.27
0.002
90
null
97.47
0.01
90
null
883.1
1
null
null
null
null
null
null
null
null
4
P 1 21/n 1
-P 2yn
14
- C10 H11 N O2 -
- C10 H11 N O2 -
- C40 H44 N4 O8 -
4
1
HA1004
Nicholson, W. V.; Sawyer, L.; Taylor, P.; Dawson, I.; Gould, R. O.
4-Methoxyindan-1-one oxime
Acta Crystallographica Section C
1,993
49
1
101
103
10.1107/S0108270192005663
0.71073
Mo
null
null
null
null
null
null
null
null
null
null
null
null
null
null
has coordinates
Nicholson, W. V.; Sawyer, L.; Taylor, P.; Dawson, I.; Gould, R. O. 4-Methoxyindan-1-one oxime Acta Crystallographica Section C 49(1) (1993) 101-103
301,791
2025-08-18
23:15:21
#------------------------------------------------------------------------------ #$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/2/00/20/2002068.cif $ #-------------------------------------------------------------------...
2,002,069
13.978
0.008
7.467
0.009
16.452
0.009
90
null
114.11
0.04
90
null
1,567
2
null
null
null
null
null
null
null
null
5
P 1 21/c 1
-P 2ybc
null
- C15 H19 Cl2 N O -
- C15 H19 Cl2 N O -
- C60 H76 Cl8 N4 O4 -
4
1
AL0475
Barlow, M. G.; Pritchard, R. G.; Sibous, L.; Tipping, A. E.
(4<i>E</i>,8<i>Z</i>,12<i>E</i>)-13,16-Dichloro-14-azabicyclo[10.4.0]hexadeca-4,8,12-trien-15-one: a thermal cycloaddition product
Acta Crystallographica Section C
1,993
49
1
103
104
10.1107/S0108270192005110
0.71069
Mo
null
null
null
null
null
null
null
null
null
null
null
null
null
null
has coordinates
Barlow, M. G.; Pritchard, R. G.; Sibous, L.; Tipping, A. E. (4<i>E</i>,8<i>Z</i>,12<i>E</i>)-13,16-Dichloro-14-azabicyclo[10.4.0]hexadeca-4,8,12-trien-15-one: a thermal cycloaddition product Acta Crystallographica Section C 49(1) (1993) 103-104
301,791
2025-08-18
23:15:21
#------------------------------------------------------------------------------ #$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/2/00/20/2002069.cif $ #-------------------------------------------------------------------...
2,002,070
5.269
0.002
19.781
0.006
6.768
0.002
90
null
106.46
0.02
90
null
676.5
0.4
null
null
null
null
null
null
null
null
3
P 1 21 1
P 2yb
4
- C17 H12 O5 -
- C17 H12 O5 -
- C34 H24 O10 -
2
1
HL1008
Koh, L. L.; Ng, A. S.
Structures of two flavonoids from <i>Physalis minima</i>, 5-methoxy-6,7-methylenedioxyflavone (I) and 5,6,7-trimethoxyflavone (II)
Acta Crystallographica Section C
1,993
49
1
105
107
10.1107/S0108270192005584
0.71073
Mo
null
null
null
null
null
null
null
null
null
null
null
null
null
null
has coordinates
Koh, L. L.; Ng, A. S. Structures of two flavonoids from <i>Physalis minima</i>, 5-methoxy-6,7-methylenedioxyflavone (I) and 5,6,7-trimethoxyflavone (II) Acta Crystallographica Section C 49(1) (1993) 105-107
301,791
2025-08-18
23:15:21
#------------------------------------------------------------------------------ #$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/2/00/20/2002070.cif $ #-------------------------------------------------------------------...
2,002,071
13.074
0.004
14.196
0.005
8.365
0.002
90
null
102.87
0.02
90
null
1,513.5
0.8
null
null
null
null
null
null
null
null
3
P 1 21/c 1
-P 2ybc
null
- C18 H16 O5 -
- C18 H16 O5 -
- C72 H64 O20 -
4
1
HL1008
Koh, L. L.; Ng, A. S.
Structures of two flavonoids from <i>Physalis minima</i>, 5-methoxy-6,7-methylenedioxyflavone (I) and 5,6,7-trimethoxyflavone (II)
Acta Crystallographica Section C
1,993
49
1
105
107
10.1107/S0108270192005584
0.71073
Mo
null
null
null
null
null
null
null
null
null
null
null
null
null
null
has coordinates
Koh, L. L.; Ng, A. S. Structures of two flavonoids from <i>Physalis minima</i>, 5-methoxy-6,7-methylenedioxyflavone (I) and 5,6,7-trimethoxyflavone (II) Acta Crystallographica Section C 49(1) (1993) 105-107
301,791
2025-08-18
23:15:21
#------------------------------------------------------------------------------ #$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/2/00/20/2002071.cif $ #-------------------------------------------------------------------...
2,002,072
36.276
0.007
10.469
0.003
8.229
0.003
90
null
90
null
90
null
3,125.2
1.6
null
null
null
null
null
null
null
null
5
P b c a
-P 2ac 2ab
null
- C17 H18 N2 O S -
- C17 H18 N2 O S -
- C136 H144 N16 O8 S8 -
8
1
CD0069
Eswaramoorthy, S.; Raju, K. S.; Ponnuswamy, M. N.
Structure of 2-[<i>N</i>-(2-hydroxyethyl)]aminomethyl-3-phenylthioindole
Acta Crystallographica Section C
1,993
49
1
107
109
10.1107/S0108270192003469
1.5418
Cu
null
null
null
null
null
null
null
null
null
null
null
null
null
null
has coordinates
Eswaramoorthy, S.; Raju, K. S.; Ponnuswamy, M. N. Structure of 2-[<i>N</i>-(2-hydroxyethyl)]aminomethyl-3-phenylthioindole Acta Crystallographica Section C 49(1) (1993) 107-109
301,791
2025-08-18
23:15:21
#------------------------------------------------------------------------------ #$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/2/00/20/2002072.cif $ #-------------------------------------------------------------------...
2,002,073
6.104
0.002
19.538
0.002
9.286
0.002
90
null
93.28
0.02
90
null
1,105.6
0.4
null
null
null
null
null
null
null
null
5
P 1 21/n 1
-P 2yn
14
- C9 H6 Cl3 N O3 -
- C9 H6 Cl3 N O3 -
- C36 H24 Cl12 N4 O12 -
4
1
ST0576
Mullica, D. F.; Sappenfield, E. L.; Reeves, W. P.; Scheide, G. M.
Structure of 2-(4-nitrophenyl)-2-trichloromethyloxirane
Acta Crystallographica Section C
1,993
49
1
109
111
10.1107/S010827019200502X
0.71073
Mo
null
null
null
null
null
null
null
null
null
null
null
null
null
null
has coordinates
Mullica, D. F.; Sappenfield, E. L.; Reeves, W. P.; Scheide, G. M. Structure of 2-(4-nitrophenyl)-2-trichloromethyloxirane Acta Crystallographica Section C 49(1) (1993) 109-111
301,791
2025-08-18
23:15:21
#------------------------------------------------------------------------------ #$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/2/00/20/2002073.cif $ #-------------------------------------------------------------------...
2,002,074
9.533
0.002
23.568
0.005
13.666
0.003
90
null
103.47
0.03
90
null
2,985.9
1.2
null
null
null
null
null
null
null
null
5
P 1 21/c 1
null
- C12 H21 N4 O2 S -
- C12 H21 N4 O1.5 S -
- C96 H168 N32 O12 S8 -
8
2
HH0623
Shin, W.; Shim, J. H.
Structure of tetrahydrothiamin hemihydrate
Acta Crystallographica Section C
1,993
49
1
111
113
10.1107/S0108270192004001
1.5418
Cu
null
null
null
null
null
null
null
null
null
null
null
null
null
null
has coordinates
Shin, W.; Shim, J. H. Structure of tetrahydrothiamin hemihydrate Acta Crystallographica Section C 49(1) (1993) 111-113
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/2/00/20/2002074.cif $ #-------------------------------------------------------------------...
2,002,075
6.0092
0.0005
5.3074
0.0002
15.7538
0.0006
90
null
93.672
0.005
90
null
501.41
0.05
null
null
null
null
null
null
null
null
3
P 1 21/c 1
-P 2ybc
null
- C14 H8 O4 -
- C14 H8 O4 -
- C28 H16 O8 -
2
0.5
CD0070
Marasinghe, P. A. B.; Gillispie, G. D.
Structure of 1,5-dihydroxyanthraquinone: a redetermination
Acta Crystallographica Section C
1,993
49
1
113
114
10.1107/S0108270192004542
1.54178
Cu
null
null
null
null
null
null
null
null
null
null
null
null
null
null
has coordinates
Marasinghe, P. A. B.; Gillispie, G. D. Structure of 1,5-dihydroxyanthraquinone: a redetermination Acta Crystallographica Section C 49(1) (1993) 113-114
301,791
2025-08-18
23:15:21
#------------------------------------------------------------------------------ #$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/2/00/20/2002075.cif $ #-------------------------------------------------------------------...
2,002,076
6.521
0.002
9.223
0.002
15.235
0.005
90
null
91.91
0.03
90
null
915.8
0.5
null
null
null
null
null
null
null
null
3
P 1 21/n 1
-P 2yn
14
- C26 H22 O2 -
- C26 H22 O2 -
- C52 H44 O4 -
2
0.5
GR0203
Harmata, M.; Barnes, C. L.
5α,8β,14α,17α-5,6,8,9,14,15,17,18-Octahydro-5,17:8,14-diepoxydibenzo[<i>e</i>,<i>e</i>']benzo[1,2-<i>a</i>:4,5-<i>a</i>']dicyclooctene
Acta Crystallographica Section C
1,993
49
1
115
116
10.1107/S0108270192004694
0.71073
Mo
null
null
null
null
null
null
null
null
null
null
null
null
null
null
has coordinates
Harmata, M.; Barnes, C. L. 5α,8β,14α,17α-5,6,8,9,14,15,17,18-Octahydro-5,17:8,14-diepoxydibenzo[<i>e</i>,<i>e</i>']benzo[1,2-<i>a</i>:4,5-<i>a</i>']dicyclooctene Acta Crystallographica Section C 49(1) (1993) 115-116
301,791
2025-08-18
23:15:21
#------------------------------------------------------------------------------ #$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/2/00/20/2002076.cif $ #-------------------------------------------------------------------...
2,002,077
9.16
0.001
9.921
0.002
10.372
0.004
100.57
0.02
112.01
0.02
92.17
0.01
853.1
0.4
null
null
null
null
null
null
null
null
6
P -1
-P 1
2
- C36 H30 F6 N6 O Si2 -
- C36 H30 F6 N6 O Si2 -
- C36 H30 F6 N6 O Si2 -
1
0.5
BX0582
Jansen, M.; Mokros, I.
Structure of hexakis(2-fluorophenylamino)disiloxane
Acta Crystallographica Section C
1,993
49
1
119
120
10.1107/S0108270192004360
0.71069
Mo
null
null
null
null
null
null
null
null
null
null
null
null
null
null
has coordinates
Jansen, M.; Mokros, I. Structure of hexakis(2-fluorophenylamino)disiloxane Acta Crystallographica Section C 49(1) (1993) 119-120
301,791
2025-08-18
23:15:21
#------------------------------------------------------------------------------ #$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/2/00/20/2002077.cif $ #-------------------------------------------------------------------...
2,002,078
8.984
0.006
14.9
0.02
16.56
0.02
113
0.07
99.63
0.07
104.39
0.06
1,888
4
null
null
null
null
null
null
null
null
5
P -1
-P 1
2
- C8 H30 N8 O Si3 -
- C8 N8 O Si3 -
- C32 N32 O4 Si12 -
4
2
BX0583
Jansen, M.; Löffelholz, J.
Structure of 3,5-dimethyl-2,2,4,4,6,6-hexakis(methylamino)-1-oxa-3,5-diaza-2,4,6-trisilacyclohexane
Acta Crystallographica Section C
1,993
49
1
120
122
10.1107/S0108270192004451
0.71069
Mo
null
null
null
null
null
null
null
null
null
null
null
null
null
null
has coordinates
Jansen, M.; Löffelholz, J. Structure of 3,5-dimethyl-2,2,4,4,6,6-hexakis(methylamino)-1-oxa-3,5-diaza-2,4,6-trisilacyclohexane Acta Crystallographica Section C 49(1) (1993) 120-122
278,247
2022-09-28
15:09:31
#------------------------------------------------------------------------------ #$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/2/00/20/2002078.cif $ #-------------------------------------------------------------------...
2,002,079
8.455
0.003
13.052
0.002
9.267
0.003
90
null
124.89
0.03
90
null
838.8
0.9
294
null
null
null
null
null
null
null
1
P 1 2/c 1
null
gamma sulfur
- S8 -
- S8 -
- S32 -
4
1
AB1021
Gallacher, A. C.; Pinkerton, A. A.
A redetermination of monclinic γ-sulfur
Acta Crystallographica Section C
1,993
49
1
125
126
10.1107/S0108270192009661
0.71073
Mo_Kα
null
0.036
null
null
0.041
null
null
null
null
1.222
1.222
null
null
null
has coordinates
Gallacher, A. C.; Pinkerton, A. A. A redetermination of monclinic γ-sulfur Acta Crystallographica Section C 49(1) (1993) 125-126
201,955
2020-10-21
18:00:00
#------------------------------------------------------------------------------ #$Date: 2017-10-13 03:08:28 +0300 (Fri, 13 Oct 2017) $ #$Revision: 201955 $ #$URL: file:///home/coder/svn-repositories/_RELOADED_COD/cod-reloaded/cif/2/00/20/2002079.cif $ #-------------------------------------------------------------------...
2,002,080
3.721
0.001
3.721
null
16.639
0.007
90
null
90
null
120
null
199.5
0.1
115
null
115
null
null
null
null
null
4
P 63/m m c
-P 6c 2c
194
potassium zirconium indium sulfide
- In0.5 K0.5 S2 Zr0.5 -
- K0.5 S2 Zr0.5 -
- K S4 Zr -
2
0.083333
ST1015
Wu, P.; Ibers, J. A.
Synthesis and structures of the quaternary sulfides K~0.5~Zr~0.5~In~0.5~S~2~ and K~0.5~Cr~0.5~Sn~0.5~S~2~
Acta Crystallographica Section C
1,993
49
1
126
129
10.1107/S0108270192008345
0.7093
MoKα
null
null
null
0.111
0.111
null
null
null
2.3
2.3
2.3
null
null
null
has coordinates,has disorder
Wu, P.; Ibers, J. A. Synthesis and structures of the quaternary sulfides K~0.5~Zr~0.5~In~0.5~S~2~ and K~0.5~Cr~0.5~Sn~0.5~S~2~ Acta Crystallographica Section C 49(1) (1993) 126-129
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/2/00/20/2002080.cif $ #-------------------------------------------------------------------...
2,002,081
3.5786
0.0005
3.5786
0.0005
24.832
0.005
90
null
90
null
120
null
275.4
0.1
115
null
115
null
null
null
null
null
4
R -3 m :H
-R 3 2"
166
- Cr0.5 K0.5 S2 Sn0.5 -
- Cr0.5 K0.5 S2 -
- Cr1.5 K1.5 S6 -
3
0.083333
ST1015
Wu, P.; Ibers, J. A.
Synthesis and structures of the quaternary sulfides K~0.5~Zr~0.5~In~0.5~S~2~ and K~0.5~Cr~0.5~Sn~0.5~S~2~
Acta Crystallographica Section C
1,993
49
1
126
129
10.1107/S0108270192008345
0.7093
MoKα
null
null
null
0.1
0.1
null
null
null
1.91
1.91
1.91
null
null
null
has coordinates
Wu, P.; Ibers, J. A. Synthesis and structures of the quaternary sulfides K~0.5~Zr~0.5~In~0.5~S~2~ and K~0.5~Cr~0.5~Sn~0.5~S~2~ Acta Crystallographica Section C 49(1) (1993) 126-129
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/2/00/20/2002081.cif $ #-------------------------------------------------------------------...
2,002,082
9.993
0.001
6.8236
0.0006
16.398
0.002
90
null
96
0.01
90
null
1,112
0.2
240
1
240
1
null
null
null
null
6
P 1 21/n 1
-P 2yn
14
- C5 H13 Br2 Cd N S -
- C5 H13 Br2 Cd N S -
- C20 H52 Br8 Cd4 N4 S4 -
4
1
AL1022
Clegg, W.; Casals, I.; González-Duarte, P.
<i>catena</i>-[Cd{μ-S(CH~2~)~3~NHMe~2~}Br~2~]
Acta Crystallographica Section C
1,993
49
1
129
130
10.1107/S0108270192010746
0.71073
MoKα
0.0548
0.042
null
0.1412
0.1102
null
null
null
1.132
1.168
1.168
null
null
null
has coordinates
Clegg, W.; Casals, I.; González-Duarte, P. <i>catena</i>-[Cd{μ-S(CH~2~)~3~NHMe~2~}Br~2~] Acta Crystallographica Section C 49(1) (1993) 129-130
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/2/00/20/2002082.cif $ #-------------------------------------------------------------------...
2,002,083
12.336
0.002
14.108
0.002
19.875
0.008
90
null
97.44
0.02
90
null
3,429.9
1.6
298
null
null
null
null
null
null
null
5
P 1 21/c 1
-P 2ybc
14
- C40 H30 Au N3 P2 -
- C40 H30 Au N3 P2 -
- C160 H120 Au4 N12 P8 -
4
1
HA1016
Wang, J.-C.; Wang, Y.
Structure of [Au(PPh~3~)~2~][C(CN)~3~]
Acta Crystallographica Section C
1,993
49
1
131
132
10.1107/S0108270192008461
0.71073
MoKα
null
0.033
null
null
0.037
null
null
null
null
0.495
0.495
null
null
null
has coordinates
Wang, J.-C.; Wang, Y. Structure of [Au(PPh~3~)~2~][C(CN)~3~] Acta Crystallographica Section C 49(1) (1993) 131-132
301,791
2025-08-18
23:15:21
#------------------------------------------------------------------------------ #$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/2/00/20/2002083.cif $ #-------------------------------------------------------------------...
2,002,084
14.399
0.006
20.51
0.02
16.817
0.005
90
null
100.75
0.03
90
null
4,879
5
293
null
null
null
null
null
null
null
6
P -1
-P 1
2
- C26 H18 N O19 S16 W6 -
- C15.5 N0.5 O9.5 S9 W3 -
- C62 N2 O38 S36 W12 -
4
2
PA1021
Triki, S.; Ouahab, L.; Grandjean, D.
Structure of the tetrakis(2,2',5,5'-tetrathiafulvalene) hexatungstate acetonitrile solvate salt (TTF)~4~W~6~O~19~.0.5(CH~3~CN)
Acta Crystallographica Section C
1,993
49
1
132
135
10.1107/S0108270192008643
0.71073
MoKα
null
0.033
null
null
0.042
null
null
null
null
1.045
1.045
null
null
null
has coordinates
Triki, S.; Ouahab, L.; Grandjean, D. Structure of the tetrakis(2,2',5,5'-tetrathiafulvalene) hexatungstate acetonitrile solvate salt (TTF)~4~W~6~O~19~.0.5(CH~3~CN) Acta Crystallographica Section C 49(1) (1993) 132-135
176,432
2020-10-21
18:00:00
#------------------------------------------------------------------------------ #$Date: 2016-02-14 06:40:26 +0200 (Sun, 14 Feb 2016) $ #$Revision: 176432 $ #$URL: file:///home/coder/svn-repositories/_RELOADED_COD/cod-reloaded/cif/2/00/20/2002084.cif $ #-------------------------------------------------------------------...
2,002,085
11.072
0.003
13.873
0.005
14.31
0.004
92.38
0.03
98.58
0.02
95.95
0.03
2,158.1
1.2
298
null
null
null
null
null
null
null
6
P -1
-P 1
2
- C44 H37.5 O1.25 P3 Ru S4 -
- C45 H35 O2 P3 Ru S4 -
- C90 H70 O4 P6 Ru2 S8 -
2
1
HA1009
Blake, A. J.; McQueen, A. E. D.; Schröder, M.; Stephenson, T. A.; Yellowlees, L. J.
Structure of carbonylbis(diphenyldithiophosphinato)(triphenylphosphine)ruthenium diethyl ether solvate [Ru(CO)(S~2~PPh~2~)~2~(PPh~3~)].0.25Et~2~O
Acta Crystallographica Section C
1,993
49
1
135
137
10.1107/S0108270192008084
0.71073
MoKα
null
0.0378
null
null
0.0622
null
null
null
null
1.723
1.723
null
null
null
has coordinates
Blake, A. J.; McQueen, A. E. D.; Schröder, M.; Stephenson, T. A.; Yellowlees, L. J. Structure of carbonylbis(diphenyldithiophosphinato)(triphenylphosphine)ruthenium diethyl ether solvate [Ru(CO)(S~2~PPh~2~)~2~(PPh~3~)].0.25Et~2~O Acta Crystallographica Section C 49(1) (1993) 135-137
278,247
2022-09-28
15:09:31
#------------------------------------------------------------------------------ #$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/2/00/20/2002085.cif $ #-------------------------------------------------------------------...
2,002,086
13.984
0.003
13.984
0.003
12.232
0.005
90
null
90
null
90
null
2,392
1.2
120
1
null
null
null
null
null
null
5
P 4/n
-P 4a
null
- C16 H40 Cl4 Cu N2 -
- C16 Cl4 Cu N2 -
- C64 Cl16 Cu4 N8 -
4
null
AS1014
Kawata, T.; Aoyama, T.; Ohba, S.
Tetraethylammonium tetrachlorocuprate(II), [N(C~2~H~5~)~4~]~2~[CuCl~4~]
Acta Crystallographica Section C
1,993
49
1
137
139
10.1107/S0108270192009065
0.71073
MoKα
null
0.107
null
null
0.083
null
null
null
null
3.62
3.62
null
null
null
has coordinates
Kawata, T.; Aoyama, T.; Ohba, S. Tetraethylammonium tetrachlorocuprate(II), [N(C~2~H~5~)~4~]~2~[CuCl~4~] Acta Crystallographica Section C 49(1) (1993) 137-139
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/2/00/20/2002086.cif $ #-------------------------------------------------------------------...
2,002,087
8.729
0.001
10.864
0.002
34.35
0.006
90
null
90
null
90
null
3,257.5
0.9
298
null
null
null
null
null
null
null
5
P 21 21 21
P 2ac 2ab
null
- C38 H37 Fe N P2 -
- C38 H37 Fe N P2 -
- C152 H148 Fe4 N4 P8 -
4
1
LI1012
Shawkataly, O. B.; Fun, H.-K.; Chinnakali, K.; Yip, B.-C.; Teoh, S.-G.; Ito, Y.; Sawamura, M.
Structure of 1-[(<i>R</i>)-1',2-bis(diphenylphosphino)ferrocenyl]-(<i>S</i>)-<i>N</i>,<i>N</i>-dimethylethylamine
Acta Crystallographica Section C
1,993
49
1
139
141
10.1107/S010827019200790X
0.71069
MoKα
null
0.038
null
null
0.0501
null
null
null
null
0.89
0.89
null
null
null
has coordinates
Shawkataly, O. B.; Fun, H.-K.; Chinnakali, K.; Yip, B.-C.; Teoh, S.-G.; Ito, Y.; Sawamura, M. Structure of 1-[(<i>R</i>)-1',2-bis(diphenylphosphino)ferrocenyl]-(<i>S</i>)-<i>N</i>,<i>N</i>-dimethylethylamine Acta Crystallographica Section C 49(1) (1993) 139-141
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/2/00/20/2002087.cif $ #-------------------------------------------------------------------...
2,002,088
14.754
0.003
14.805
0.005
15.277
0.004
90
null
90
null
90
null
3,337
1.6
197
null
296
null
null
null
null
null
5
C 2 2 21
C 2c 2
20
tetrakis(dimethylphenylphosphine)-rhodium(I) chloride
- C32 H44 Cl P4 Rh -
- C32 H44 Cl P4 Rh -
- C128 H176 Cl4 P16 Rh4 -
4
0.5
ST1031
Reibenspies, J. H.; Darensbourg, D. J.
Structure of tetrakis(dimethylphenylphosphine)rhodium(I) chloride
Acta Crystallographica Section C
1,993
49
1
141
142
10.1107/S0108270192009612
0.71073
MoKα
0.0501
0.0501
null
0.0512
0.0512
null
null
null
1.0197
1.0197
1.0197
null
null
null
has coordinates
Reibenspies, J. H.; Darensbourg, D. J. Structure of tetrakis(dimethylphenylphosphine)rhodium(I) chloride Acta Crystallographica Section C 49(1) (1993) 141-142
301,791
2025-08-18
23:15:21
#------------------------------------------------------------------------------ #$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/2/00/20/2002088.cif $ #-------------------------------------------------------------------...
2,002,089
28.325
0.006
9.79
0.005
23.042
0.006
90
null
105.999
0.006
90
null
6,142
4
293
null
null
null
null
null
null
null
8
I 1 2/c 1
-I 2yc
15
- C55 H61 Cl2 F12 N O2 P6 Ru2 -
- C55 H61 Cl2 F12 N O2 P6 Ru2 -
- C220 H244 Cl8 F48 N4 O8 P24 Ru8 -
4
0.5
HA1003
Blake, A. J.; Fotheringham, J. D.; Stephenson, T. A.
[{(η^6^-C~6~H~6~)(PMe~2~Ph)RuCl}~2~(μ-Ph~2~PCH~2~CH~2~PPh~2~)]^2+^.2PF~6~^{-^}.CH~3~NO~2~
Acta Crystallographica Section C
1,993
49
1
142
144
10.1107/S0108270192008163
0.71073
MoKα
null
0.0611
null
null
0.0753
null
null
null
null
1.406
1.406
null
null
null
has coordinates,has disorder
Blake, A. J.; Fotheringham, J. D.; Stephenson, T. A. [{(η^6^-C~6~H~6~)(PMe~2~Ph)RuCl}~2~(μ-Ph~2~PCH~2~CH~2~PPh~2~)]^2+^.2PF~6~^{-^}.CH~3~NO~2~ Acta Crystallographica Section C 49(1) (1993) 142-144
205,828
2020-10-21
18:00:00
#------------------------------------------------------------------------------ #$Date: 2018-01-28 07:04:53 +0200 (Sun, 28 Jan 2018) $ #$Revision: 205828 $ #$URL: file:///home/coder/svn-repositories/_RELOADED_COD/cod-reloaded/cif/2/00/20/2002089.cif $ #-------------------------------------------------------------------...
2,002,090
18.246
0.002
18.246
0.002
11.303
0.002
90
null
90
null
120
null
3,258.8
0.8
300
2
null
null
null
null
null
null
5
P 1 1 m
P -2
6
- C38 H56 Cu2 N2 O8 -
- C10.6667 Cu0.666667 N0.666667 O2.66667 -
- C32 Cu2 N2 O8 -
3
1.5
AS1018
Fujita, T.; Ohba, S.; Tokii, T.; Kato, M.
Dimeric copper(II) 2,2-dimethylpropanoate adducts with 3- or 4-picoline
Acta Crystallographica Section C
1,993
49
1
144
147
10.1107/S0108270192009107
0.71073
MoKα
null
0.077
null
null
0.105
null
null
null
null
3.5
3.5
null
null
null
has coordinates
Fujita, T.; Ohba, S.; Tokii, T.; Kato, M. Dimeric copper(II) 2,2-dimethylpropanoate adducts with 3- or 4-picoline Acta Crystallographica Section C 49(1) (1993) 144-147
176,432
2020-10-21
18:00:00
#------------------------------------------------------------------------------ #$Date: 2016-02-14 06:40:26 +0200 (Sun, 14 Feb 2016) $ #$Revision: 176432 $ #$URL: file:///home/coder/svn-repositories/_RELOADED_COD/cod-reloaded/cif/2/00/20/2002090.cif $ #-------------------------------------------------------------------...
2,002,091
31.902
0.004
31.902
0.004
11.111
0.002
90
null
90
null
120
null
9,793
2
300
2
null
null
null
null
null
null
5
R -3 m
-R 3 2"
null
- C38 H56 Cu2 N2 O8 -
- C32 Cu2 N2 O8 -
- C288 Cu18 N18 O72 -
9
null
AS1018
Fujita, T.; Ohba, S.; Tokii, T.; Kato, M.
Dimeric copper(II) 2,2-dimethylpropanoate adducts with 3- or 4-picoline
Acta Crystallographica Section C
1,993
49
1
144
147
10.1107/S0108270192009107
0.71073
MoKα
null
0.072
null
null
0.094
null
null
null
null
3.51
3.51
null
null
null
has coordinates
Fujita, T.; Ohba, S.; Tokii, T.; Kato, M. Dimeric copper(II) 2,2-dimethylpropanoate adducts with 3- or 4-picoline Acta Crystallographica Section C 49(1) (1993) 144-147
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/2/00/20/2002091.cif $ #-------------------------------------------------------------------...
2,002,092
13.467
0.001
14.879
0.001
10.1125
0.0008
90
null
90
null
90
null
2,026.3
0.3
293
null
293
null
null
null
null
null
5
P n a 21
P 2c -2n
33
- C8 H12 Cl6 Fe2 N4 -
- C8 H12 Cl6 Fe2 N4 -
- C32 H48 Cl24 Fe8 N16 -
4
1
DU1009
Gao, Y.; Guery, J.; Jacoboni, C.
FeCl~3~ behavior in acetonitrile: structures of [FeCl~2~(CH~3~CN)~4~][FeCl~4~] and [AlCl(CH~3~CN)~5~][FeCl~4~]~2~.CH~3~CN
Acta Crystallographica Section C
1,993
49
1
147
151
10.1107/S0108270192009892
0.71073
MoKα
null
0.035
null
null
0.035
null
null
null
null
1.38
1.38
null
null
null
has coordinates
Gao, Y.; Guery, J.; Jacoboni, C. FeCl~3~ behavior in acetonitrile: structures of [FeCl~2~(CH~3~CN)~4~][FeCl~4~] and [AlCl(CH~3~CN)~5~][FeCl~4~]~2~.CH~3~CN Acta Crystallographica Section C 49(1) (1993) 147-151
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/2/00/20/2002092.cif $ #-------------------------------------------------------------------...
2,002,093
10.1025
0.0005
14.513
0.001
21.032
0.002
90
null
90
null
90
null
3,083.7
0.4
293
null
293
null
null
null
null
null
6
P 21 21 21
P 2ac 2ab
19
- C12 H18 Al Cl9 Fe2 N6 -
- C12 H18 Al Cl9 Fe2 N6 -
- C48 H72 Al4 Cl36 Fe8 N24 -
4
1
DU1009
Gao, Y.; Guery, J.; Jacoboni, C.
FeCl~3~ behavior in acetonitrile: structures of [FeCl~2~(CH~3~CN)~4~][FeCl~4~] and [AlCl(CH~3~CN)~5~][FeCl~4~]~2~.CH~3~CN
Acta Crystallographica Section C
1,993
49
1
147
151
10.1107/S0108270192009892
0.71073
MoKα
null
0.042
null
null
0.042
null
null
null
null
2.21
2.21
null
null
null
has coordinates
Gao, Y.; Guery, J.; Jacoboni, C. FeCl~3~ behavior in acetonitrile: structures of [FeCl~2~(CH~3~CN)~4~][FeCl~4~] and [AlCl(CH~3~CN)~5~][FeCl~4~]~2~.CH~3~CN Acta Crystallographica Section C 49(1) (1993) 147-151
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/2/00/20/2002093.cif $ #-------------------------------------------------------------------...
2,002,094
8.812
0.002
8.5
0.003
8.377
0.003
85.61
0.03
111.15
0.03
114.28
0.03
531.5
0.3
163
null
null
null
null
null
null
null
5
P -1
-P 1
2
- C11 H10 N2 O3 S -
- C11 H10 N2 O3 S -
- C22 H20 N4 O6 S2 -
2
1
ST1006
Rizvi, S. K.; Hossain, M. B.; van der Helm, D.
Structures of perfragilin A and B
Acta Crystallographica Section C
1,993
49
1
151
154
10.1107/S0108270192008709
0.71073
MoKα
null
0.041
null
null
0.04
null
null
null
null
1.92
1.92
null
null
null
has coordinates
Rizvi, S. K.; Hossain, M. B.; van der Helm, D. Structures of perfragilin A and B Acta Crystallographica Section C 49(1) (1993) 151-154
301,791
2025-08-18
23:15:21
#------------------------------------------------------------------------------ #$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/2/00/20/2002094.cif $ #-------------------------------------------------------------------...
2,002,095
6.915
0.002
9.86
0.003
9.924
0.003
111.22
0.02
99.7
0.02
102.24
0.02
593.7
0.3
163
null
null
null
null
null
null
null
5
P -1
-P 1
2
- C12 H11 N O3 S2 -
- C12 H11 N O3 S2 -
- C24 H22 N2 O6 S4 -
2
1
ST1006
Rizvi, S. K.; Hossain, M. B.; van der Helm, D.
Structures of perfragilin A and B
Acta Crystallographica Section C
1,993
49
1
151
154
10.1107/S0108270192008709
1.54178
CuKα
null
0.039
null
null
0.055
null
null
null
null
2.41
2.41
null
null
null
has coordinates
Rizvi, S. K.; Hossain, M. B.; van der Helm, D. Structures of perfragilin A and B Acta Crystallographica Section C 49(1) (1993) 151-154
301,791
2025-08-18
23:15:21
#------------------------------------------------------------------------------ #$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/2/00/20/2002095.cif $ #-------------------------------------------------------------------...
2,002,096
8.594
0.001
19.173
0.002
9.34
0.003
90
null
102.52
0.02
90
null
1,502.4
0.5
293
null
null
null
null
null
null
null
4
P 1 21/c 1
-P 2ybc
null
- C15 H15 N3 O3 -
- C15 H15 N3 O3 -
- C60 H60 N12 O12 -
4
1
PA1009
Rodier, N.; Robert, J.-M.; Robert-Piessard, S.; Le Baut, G.
<i>N</i>-(4,6-Diméthylpyrid-2-yl)-2-(3-nitrophényl)acétamide
Acta Crystallographica Section C
1,993
49
1
154
156
10.1107/S010827019200859X
1.5418
CuKα
null
0.045
null
null
0.05
null
null
null
null
1.55
1.55
null
null
null
has coordinates
Rodier, N.; Robert, J.-M.; Robert-Piessard, S.; Le Baut, G. <i>N</i>-(4,6-Diméthylpyrid-2-yl)-2-(3-nitrophényl)acétamide Acta Crystallographica Section C 49(1) (1993) 154-156
301,791
2025-08-18
23:15:21
#------------------------------------------------------------------------------ #$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/2/00/20/2002096.cif $ #-------------------------------------------------------------------...
2,002,097
10.276
0.001
7.091
0.001
11.38
0.0009
98.79
0.01
105.26
0.01
115.23
0.01
689.5
0.17
294
null
null
null
null
null
null
null
5
P -1
-P 1
2
- C15 H17 Cl N2 O -
- C15 H17 Cl N2 O -
- C30 H34 Cl2 N4 O2 -
2
1
PA1013
Rodier, N.; Agafonov, V.; Dubois, P.; Mariaud, M.; Levillain, P.; Cense, J. M.
2,4-Dimethyl-(1<i>H</i>)-naphtho[2,3-<i>b</i>][1,5]diazepinium chloride monohydrate
Acta Crystallographica Section C
1,993
49
1
156
159
10.1107/S0108270192008618
1.5418
CuKα
null
0.041
null
null
0.052
null
null
null
null
1.75
1.75
null
null
null
has coordinates
Rodier, N.; Agafonov, V.; Dubois, P.; Mariaud, M.; Levillain, P.; Cense, J. M. 2,4-Dimethyl-(1<i>H</i>)-naphtho[2,3-<i>b</i>][1,5]diazepinium chloride monohydrate Acta Crystallographica Section C 49(1) (1993) 156-159
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/2/00/20/2002097.cif $ #-------------------------------------------------------------------...
2,002,098
5.6878
0.0008
11.65
0.002
26.21
0.003
90
null
90
null
90
null
1,736.7
0.4
294
null
null
null
null
null
null
null
5
P 21 21 21
P 2ac 2ab
null
- C14 H25 N O4 S2 -
- C14 H25 N O4 S2 -
- C56 H100 N4 O16 S8 -
4
1
PA1011
Rodier, N.; Khodadad, P.; Postel, D.; Villa, P.; Ronco, G.; Julien, R.
Désoxy-l <i>N</i>,<i>N</i>-diméthyldithiocarbamoyl-1 di-<i>O</i>-isopropylidène-2,3:4,5 xylitol
Acta Crystallographica Section C
1,993
49
1
159
161
10.1107/S0108270192008606
1.5418
CuKα
null
0.035
null
null
0.036
null
null
null
null
1.295
1.295
null
null
null
has coordinates
Rodier, N.; Khodadad, P.; Postel, D.; Villa, P.; Ronco, G.; Julien, R. Désoxy-l <i>N</i>,<i>N</i>-diméthyldithiocarbamoyl-1 di-<i>O</i>-isopropylidène-2,3:4,5 xylitol Acta Crystallographica Section C 49(1) (1993) 159-161
301,791
2025-08-18
23:15:21
#------------------------------------------------------------------------------ #$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/2/00/20/2002098.cif $ #-------------------------------------------------------------------...
2,002,099
16.22
0.004
9.763
0.0007
18.325
0.002
90
null
99.81
0.01
90
null
2,859.4
0.8
293
null
null
null
null
null
null
null
4
C 1 2/c 1
-C 2yc
null
- C15 H16 N4 O -
- C15 H16 N4 O -
- C120 H128 N32 O8 -
8
1
PA1016
Rodier, N.; Robert, J.-M.; Le Baut, G.
4-(4,6-Diméthylpyrid-2-yl)-5-éthyl-3-(furan-2-yl)-4<i>H</i>-1,2,4-triazole
Acta Crystallographica Section C
1,993
49
1
161
163
10.1107/S0108270192008631
1.5418
CuKα
null
0.052
null
null
0.046
null
null
null
null
1.43
1.43
null
null
null
has coordinates
Rodier, N.; Robert, J.-M.; Le Baut, G. 4-(4,6-Diméthylpyrid-2-yl)-5-éthyl-3-(furan-2-yl)-4<i>H</i>-1,2,4-triazole Acta Crystallographica Section C 49(1) (1993) 161-163
301,791
2025-08-18
23:15:21
#------------------------------------------------------------------------------ #$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/2/00/20/2002099.cif $ #-------------------------------------------------------------------...
2,002,100
10.459
0.002
9.887
0.002
11.735
0.002
90
null
115.13
0.01
90
null
1,098.6
0.4
294
null
null
null
null
null
null
null
4
P -1
-P 1
2
- C22 H38 N2 O2 -
- C11 H19 N O -
- C22 H38 N2 O2 -
2
1
PA1014
Rodier, N.; Dvolaitzky, M.; Rassat, A.; Agafonov, V.; Céolin, R.
2,5,<i>N</i>,<i>N</i>'-tétra-<i>tert</i>-butyl-<i>p</i>-phénylènediaminoxyl
Acta Crystallographica Section C
1,993
49
1
163
165
10.1107/S010827019200862X
1.5418
CuKα
null
0.042
null
null
0.047
null
null
null
null
1.089
1.089
null
null
null
has coordinates
Rodier, N.; Dvolaitzky, M.; Rassat, A.; Agafonov, V.; Céolin, R. 2,5,<i>N</i>,<i>N</i>'-tétra-<i>tert</i>-butyl-<i>p</i>-phénylènediaminoxyl Acta Crystallographica Section C 49(1) (1993) 163-165
176,432
2020-10-21
18:00:00
#------------------------------------------------------------------------------ #$Date: 2016-02-14 06:40:26 +0200 (Sun, 14 Feb 2016) $ #$Revision: 176432 $ #$URL: file:///home/coder/svn-repositories/_RELOADED_COD/cod-reloaded/cif/2/00/21/2002100.cif $ #-------------------------------------------------------------------...
2,002,101
22.669
0.006
15.663
0.006
12.995
0.004
90
null
90
null
90
null
4,614
3
294
null
null
null
null
null
null
null
3
P b c a
-P 2ac 2ab
null
- C22 H32 O8 -
- C22 H32 O8 -
- C176 H256 O64 -
8
1
ST1014
Erickson, M. S.; Schilling, P. J.; Fronczek, F. R.; Watkins, S. F.
Structure of a cyclotetradecadiene
Acta Crystallographica Section C
1,993
49
1
165
167
10.1107/S0108270192008813
1.54184
CuKα
null
0.08
null
null
0.073
null
null
null
null
2.225
2.225
null
null
null
has coordinates
Erickson, M. S.; Schilling, P. J.; Fronczek, F. R.; Watkins, S. F. Structure of a cyclotetradecadiene Acta Crystallographica Section C 49(1) (1993) 165-167
301,791
2025-08-18
23:15:21
#------------------------------------------------------------------------------ #$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/2/00/21/2002101.cif $ #-------------------------------------------------------------------...
2,002,102
7.5289
0.0008
14.5526
0.0016
12.8578
0.0011
90
null
90
null
90
null
1,408.8
0.2
277
null
null
null
null
null
null
null
5
P b c 21
null
- C8 H16 Cl2 Pd S4 -
- C8 H16 Cl2 Pd S4 -
- C32 H64 Cl8 Pd4 S16 -
4
1
HU1010
Blake, A. J.; Freeman, G.; Schröder, M.; Yellowlees, L. J.
[12]aneS~4~PdCl~2~
Acta Crystallographica Section C
1,993
49
1
167
168
10.1107/S0108270192008758
0.71073
MoKα
null
0.0161
null
null
0.0229
null
null
null
null
1.17
1.17
null
null
null
has coordinates
Blake, A. J.; Freeman, G.; Schröder, M.; Yellowlees, L. J. [12]aneS~4~PdCl~2~ Acta Crystallographica Section C 49(1) (1993) 167-168
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/2/00/21/2002102.cif $ #-------------------------------------------------------------------...