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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int64
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string
2,000,340
5.3424
0.0004
5.3424
0.0004
11.7376
0.0011
90
null
90
null
90
null
335.01
0.05
null
null
null
null
null
null
null
null
4
I 41/a :1
I 4bw -1bw
88
- La Mo Na O4 -
- La2 Mo2 O4 -
- La8 Mo8 O16 -
4
0.25
CR0345
Teller, R. G.
Refinement of some Na~0.5{-~<i>x</i>}<i>M</i>'~0.5+<i>x~/3</i>\σquare ~2<i>x~/3</i>MoO~4~, <i>M</i>' = Bi, Ce, La, scheelite structures with powder neutron and X-ray diffraction data
Acta Crystallographica Section C
1,992
48
12
2101
2104
10.1107/S0108270192001434
1.5415
Cu
null
null
null
null
null
null
null
null
null
null
null
null
null
null
has coordinates
Teller, R. G. Refinement of some Na~0.5{-~<i>x</i>}<i>M</i>'~0.5+<i>x~/3</i>σquare ~2<i>x~/3</i>MoO~4~, <i>M</i>' = Bi, Ce, La, scheelite structures with powder neutron and X-ray diffraction data Acta Crystallographica Section C 48(12) (1992) 2101-2104
176,343
2020-10-21
18:00:00
#------------------------------------------------------------------------------ #$Date: 2016-02-11 02:03:02 +0200 (Thu, 11 Feb 2016) $ #$Revision: 176343 $ #$URL: file:///home/coder/svn-repositories/_RELOADED_COD/cod-reloaded/cif/2/00/03/2000340.cif $ #-------------------------------------------------------------------...
7,205,878
23.253
0.006
7.6111
0.0019
14.573
0.004
90
null
90
null
90
null
2,579.1
1.2
173
2
173
2
null
null
null
null
5
I m m a
-I 2b 2
74
- C8 H5 Cd Cl N8 -
- C8 H5 Cd Cl N8 -
- C32 H20 Cd4 Cl4 N32 -
4
0.25
Zhong, Di-Chang; Feng, Xiao-Long; Lu, Tong-Bu
Two organic‒inorganic hybrid frameworks with unusual inorganic and organic connectivity
CrystEngComm
2,011
13
7
2201
10.1039/c0ce00961j
0.71073
MoKα
0.0604
0.0538
null
null
0.1459
0.1493
null
null
null
null
null
0.994
null
null
has coordinates
Zhong, Di-Chang; Feng, Xiao-Long; Lu, Tong-Bu Two organic‒inorganic hybrid frameworks with unusual inorganic and organic connectivity CrystEngComm 13(7) (2011) 2201
180,389
2020-10-21
18:00:00
#------------------------------------------------------------------------------ #$Date: 2016-03-26 17:21:16 +0200 (Sat, 26 Mar 2016) $ #$Revision: 180389 $ #$URL: file:///home/coder/svn-repositories/_RELOADED_COD/cod-reloaded/cif/7/20/58/7205878.cif $ #-------------------------------------------------------------------...
2,000,341
7.524
0.002
7.512
0.002
7.395
0.002
90
null
117.88
0.02
90
null
369.45
0.18
null
null
null
null
null
null
null
null
4
P 1 21/c 1
-P 2ybc
null
- Co3 H4 O10 P2 -
- Co3 H4 O10 P2 -
- Co6 H8 O20 P4 -
2
0.5
BX0567
Effenberger, H.
Structure refinement of Co~3~(OH)~2~(PO~3~OH)~2~ and Co[PO~2~(OH)~2~]~2~.2H~2~O
Acta Crystallographica Section C
1,992
48
12
2104
2107
10.1107/S0108270192002920
0.71073
Mo
null
null
null
null
null
null
null
null
null
null
null
null
null
null
has coordinates
Effenberger, H. Structure refinement of Co~3~(OH)~2~(PO~3~OH)~2~ and Co[PO~2~(OH)~2~]~2~.2H~2~O Acta Crystallographica Section C 48(12) (1992) 2104-2107
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/2/00/03/2000341.cif $ #-------------------------------------------------------------------...
2,000,342
7.268
0.002
9.886
0.003
5.331
0.001
90
null
94.86
0.02
90
null
381.66
0.17
null
null
null
null
null
null
null
null
4
P 1 21/n 1
-P 2yn
14
- Co H8 O10 P2 -
- Co H8 O10 P2 -
- Co2 H16 O20 P4 -
2
0.5
BX0567
Effenberger, H.
Structure refinement of Co~3~(OH)~2~(PO~3~OH)~2~ and Co[PO~2~(OH)~2~]~2~.2H~2~O
Acta Crystallographica Section C
1,992
48
12
2104
2107
10.1107/S0108270192002920
0.71073
Mo
null
null
null
null
null
null
null
null
null
null
null
null
null
null
has coordinates
Effenberger, H. Structure refinement of Co~3~(OH)~2~(PO~3~OH)~2~ and Co[PO~2~(OH)~2~]~2~.2H~2~O Acta Crystallographica Section C 48(12) (1992) 2104-2107
278,324
2022-10-03
14:41:52
#------------------------------------------------------------------------------ #$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/2/00/03/2000342.cif $ #-------------------------------------------------------------------...
2,000,343
12.3777
0.0004
7.21
0.0003
24.0192
0.0009
90
null
99.67
0.002
90
null
2,113.09
0.14
null
null
null
null
null
null
null
null
4
C 1 2/c 1
-C 2yc
null
- Al Co F7 Na2 -
- Al Co F7 Na2 -
- Al16 Co16 F112 Na32 -
16
2
DU0332
Gravereau, P.; Boireau, A.; Dance, J. M.; Trut, L.; Tressaud, A.
Structure of the cobalt weberite Na~2~CoAlF~7~
Acta Crystallographica Section C
1,992
48
12
2108
2111
10.1107/S0108270192004621
0.7107
Mo
null
null
null
null
null
null
null
null
null
null
null
null
null
null
has coordinates
Gravereau, P.; Boireau, A.; Dance, J. M.; Trut, L.; Tressaud, A. Structure of the cobalt weberite Na~2~CoAlF~7~ Acta Crystallographica Section C 48(12) (1992) 2108-2111
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/2/00/03/2000343.cif $ #-------------------------------------------------------------------...
2,000,344
9.105
0.002
9.588
0.002
11.753
0.003
78.21
0.02
80.45
0.02
69.72
0.01
937
0.4
null
null
null
null
null
null
null
null
6
P -1
-P 1
2
- C16 H15 Cl Cu N4 O8 -
- C16 H13 Cl Cu N4 O12 -
- C32 H26 Cl2 Cu2 N8 O24 -
2
1
MU0283
Muñoz, M. C.; Ruiz, R.; Mollar, M.; Lloret, F.; Julve, M.; Solans, X.
Structure of methanol(nitrato)(2,2':6',2''-terpyridyl)copper(II) perchlorate
Acta Crystallographica Section C
1,992
48
12
2111
2114
10.1107/S0108270192003342
0.71069
Mo
null
null
null
null
null
null
null
null
null
null
null
null
null
null
has coordinates
Muñoz, M. C.; Ruiz, R.; Mollar, M.; Lloret, F.; Julve, M.; Solans, X. Structure of methanol(nitrato)(2,2':6',2''-terpyridyl)copper(II) perchlorate Acta Crystallographica Section C 48(12) (1992) 2111-2114
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/2/00/03/2000344.cif $ #-------------------------------------------------------------------...
7,205,877
14.8878
0.0006
15.1363
0.0006
23.6357
0.0009
90
null
90
null
90
null
5,326.2
0.4
273
2
273
2
null
null
null
null
5
P b c a
-P 2ac 2ab
61
- C16 H20 Cu4 I4 N8 -
- C16 H20 Cu4 I4 N8 -
- C128 H160 Cu32 I32 N64 -
8
1
Cheng, Ying; Xu, Peng; Ding, You-Bang; Yin, Ye-Gao
Stoichiometry-dominated in situ formation of iodocuprate clusters and dimethyl-2,2′-biimidazoles as building units of coordination architectures
CrystEngComm
2,011
13
7
2644
10.1039/c0ce00938e
0.71073
MoKα
0.0518
0.0366
null
null
0.0826
0.0908
null
null
null
null
null
1.018
null
null
has coordinates
Cheng, Ying; Xu, Peng; Ding, You-Bang; Yin, Ye-Gao Stoichiometry-dominated in situ formation of iodocuprate clusters and dimethyl-2,2′-biimidazoles as building units of coordination architectures CrystEngComm 13(7) (2011) 2644
180,389
2020-10-21
18:00:00
#------------------------------------------------------------------------------ #$Date: 2016-03-26 17:21:16 +0200 (Sat, 26 Mar 2016) $ #$Revision: 180389 $ #$URL: file:///home/coder/svn-repositories/_RELOADED_COD/cod-reloaded/cif/7/20/58/7205877.cif $ #-------------------------------------------------------------------...
2,000,345
9.79
0.003
18.05
0.004
15.118
0.004
90
null
105.86
0.03
90
null
2,569.8
1.2
null
null
null
null
null
null
null
null
6
P 1 21/c 1
-P 2ybc
14
- C25.5 H23 Au Cl2 P2 Se -
- C25.5 H23 Au Cl2 P2 Se -
- C102 H92 Au4 Cl8 P8 Se4 -
4
1
HA0101
Jones, P. G.; Thöne, C.
Chloro[diphenyl(diphenylphosphino-κ<i>P</i>-methyl)phosphine selenide]gold(I) dichloromethane hemisolvate at 178 K
Acta Crystallographica Section C
1,992
48
12
2114
2116
10.1107/S0108270192003949
0.71069
Mo
null
null
null
null
null
null
null
null
null
null
null
null
null
null
has coordinates,has disorder
Jones, P. G.; Thöne, C. Chloro[diphenyl(diphenylphosphino-κ<i>P</i>-methyl)phosphine selenide]gold(I) dichloromethane hemisolvate at 178 K Acta Crystallographica Section C 48(12) (1992) 2114-2116
202,201
2020-10-21
18:00:00
#------------------------------------------------------------------------------ #$Date: 2017-10-20 19:32:20 +0300 (Fri, 20 Oct 2017) $ #$Revision: 202201 $ #$URL: file:///home/coder/svn-repositories/_RELOADED_COD/cod-reloaded/cif/2/00/03/2000345.cif $ #-------------------------------------------------------------------...
2,000,346
13.694
0.004
16.519
0.005
7.74
0.002
102.51
0.02
103.43
0.02
81.1
0.02
1,652.5
0.8
null
null
null
null
null
null
null
null
5
P -1
-P 1
2
- C17 H23 Ir O S -
- C17 H23 Ir O S -
- C68 H92 Ir4 O4 S4 -
4
2
HH0574
Chen, J.; Daniels, L. M.; Angelici, R. J.
Structure of a ring-opened 2,5-dimethylthiophene complex, (η^5^C~5~Me~5~)Ir(CO)(<i>C</i>,<i>S</i>-Me~2~C~4~H~2~S)
Acta Crystallographica Section C
1,992
48
12
2120
2122
10.1107/S0108270192003895
0.71073
Mo
null
null
null
null
null
null
null
null
null
null
null
null
null
null
has coordinates
Chen, J.; Daniels, L. M.; Angelici, R. J. Structure of a ring-opened 2,5-dimethylthiophene complex, (η^5^C~5~Me~5~)Ir(CO)(<i>C</i>,<i>S</i>-Me~2~C~4~H~2~S) Acta Crystallographica Section C 48(12) (1992) 2120-2122
206,333
2020-10-21
18:00:00
#------------------------------------------------------------------------------ #$Date: 2018-02-09 13:11:21 +0200 (Fri, 09 Feb 2018) $ #$Revision: 206333 $ #$URL: file:///home/coder/svn-repositories/_RELOADED_COD/cod-reloaded/cif/2/00/03/2000346.cif $ #-------------------------------------------------------------------...
2,000,347
6.545
0.004
10.235
0.005
12.174
0.006
74.4
0.03
85.02
0.04
78.64
0.03
769.6
0.7
null
null
null
null
null
null
null
null
5
P -1
-P 1
2
- C16 H8 Cu N2 O4 -
- C16 Cu N2 O4 -
- C32 Cu2 N4 O8 -
2
1
BX0579
Cueto, S.; Rys, P.; Straumann, H.-P.; Gramlich, V.; Rys, F. S.
Structure of copper(II) 3-cyanobenzoate
Acta Crystallographica Section C
1,992
48
12
2122
2124
10.1107/S0108270192002932
0.71069
Mo
null
null
null
null
null
null
null
null
null
null
null
null
null
null
has coordinates
Cueto, S.; Rys, P.; Straumann, H.-P.; Gramlich, V.; Rys, F. S. Structure of copper(II) 3-cyanobenzoate Acta Crystallographica Section C 48(12) (1992) 2122-2124
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/2/00/03/2000347.cif $ #-------------------------------------------------------------------...
2,000,348
7.408
0.003
14.318
0.005
7.188
0.003
90
null
112.59
0.04
90
null
703.9
0.5
null
null
null
null
null
null
null
null
5
P 1 21/a 1
-P 2yab
14
- C8 H12 Cl4 N4 Sn -
- C8 H12 Cl4 N4 Sn -
- C16 H24 Cl8 N8 Sn2 -
2
0.5
NA1002
Casellato, U.; Graziani, R.; Sánchez González, A.
Structure of dichlorobis(2-chloroimidazole)dimethyltin(IV)
Acta Crystallographica Section C
1,992
48
12
2125
2126
10.1107/S0108270192003822
0.7107
Mo
null
null
null
null
null
null
null
null
null
null
null
null
null
null
has coordinates
Casellato, U.; Graziani, R.; Sánchez González, A. Structure of dichlorobis(2-chloroimidazole)dimethyltin(IV) Acta Crystallographica Section C 48(12) (1992) 2125-2126
208,452
2020-10-21
18:00:00
#------------------------------------------------------------------------------ #$Date: 2018-06-17 09:03:28 +0300 (Sun, 17 Jun 2018) $ #$Revision: 208452 $ #$URL: file:///home/coder/svn-repositories/_RELOADED_COD/cod-reloaded/cif/2/00/03/2000348.cif $ #-------------------------------------------------------------------...
2,000,349
12.488
0.002
14.198
0.003
16.848
0.003
66.65
0.03
69.65
0.03
86.66
0.03
2,560.4
1.2
null
null
null
null
null
null
null
null
6
P -1
-P 1
2
- C78 H98 Cl12 Gd4 N12 O24 -
- C78 H98 Cl12 Gd4 N12 O24 -
- C78 H98 Cl12 Gd4 N12 O24 -
1
0.5
HH0610
Smith, P. H.; Ryan, R. R.
Structure of a gadolinium hexaaza macrocycle complex with a Gd~2~(OAc)~8~ counterion
Acta Crystallographica Section C
1,992
48
12
2127
2130
10.1107/S0108270192003810
0.71069
Mo
null
null
null
null
null
null
null
null
null
null
null
null
null
null
has coordinates
Smith, P. H.; Ryan, R. R. Structure of a gadolinium hexaaza macrocycle complex with a Gd~2~(OAc)~8~ counterion Acta Crystallographica Section C 48(12) (1992) 2127-2130
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/2/00/03/2000349.cif $ #-------------------------------------------------------------------...
7,205,876
16.4547
0.0004
16.4547
0.0004
27.7701
0.0014
90
null
90
null
120
null
6,511.6
0.4
273
2
273
2
null
null
null
null
5
R -3 c :H
-R 3 2"c
167
- C12 H15 Cu4 I4 N6 -
- C12 H15 Cu4 I4 N6 -
- C144 H180 Cu48 I48 N72 -
12
0.333333
Cheng, Ying; Xu, Peng; Ding, You-Bang; Yin, Ye-Gao
Stoichiometry-dominated in situ formation of iodocuprate clusters and dimethyl-2,2′-biimidazoles as building units of coordination architectures
CrystEngComm
2,011
13
7
2644
10.1039/c0ce00938e
0.71073
MoKα
0.0389
0.0317
null
null
0.0732
0.0761
null
null
null
null
null
0.993
null
null
has coordinates
Cheng, Ying; Xu, Peng; Ding, You-Bang; Yin, Ye-Gao Stoichiometry-dominated in situ formation of iodocuprate clusters and dimethyl-2,2′-biimidazoles as building units of coordination architectures CrystEngComm 13(7) (2011) 2644
180,389
2020-10-21
18:00:00
#------------------------------------------------------------------------------ #$Date: 2016-03-26 17:21:16 +0200 (Sat, 26 Mar 2016) $ #$Revision: 180389 $ #$URL: file:///home/coder/svn-repositories/_RELOADED_COD/cod-reloaded/cif/7/20/58/7205876.cif $ #-------------------------------------------------------------------...
2,000,350
11.163
0.002
15.499
0.003
10.427
0.002
90
null
94.18
0.03
90
null
1,799.2
0.6
null
null
null
null
null
null
null
null
6
P 1 21 1
P 2yb
4
- C41 H38 Co O P3 S -
- C41 H38 Co O P3 S -
- C82 H76 Co2 O2 P6 S2 -
2
1
AS1001
Wei, G.; Huang, Z.; Lei, X.; Cao, R.; Jiang, F.; Hong, M.; Liu, H.
Structure of [bis(2-diphenylphosphinoethyl)phenylphosphine-<i>P</i>,<i>P</i>,<i>P</i>]carbonyl(phenylthiolato)cobalt(I), [Co{Ph~2~PCH~2~CH~2~P(Ph)CH~2~CH~2~PPh~2~}(SPh)(CO)]
Acta Crystallographica Section C
1,992
48
12
2130
2132
10.1107/S0108270192003731
0.71073
Mo
null
null
null
null
null
null
null
null
null
null
null
null
null
null
has coordinates
Wei, G.; Huang, Z.; Lei, X.; Cao, R.; Jiang, F.; Hong, M.; Liu, H. Structure of [bis(2-diphenylphosphinoethyl)phenylphosphine-<i>P</i>,<i>P</i>,<i>P</i>]carbonyl(phenylthiolato)cobalt(I), [Co{Ph~2~PCH~2~CH~2~P(Ph)CH~2~CH~2~PPh~2~}(SPh)(CO)] Acta Crystallographica Section C 48(12) (1992) 2130-2132
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/2/00/03/2000350.cif $ #-------------------------------------------------------------------...
2,000,351
18.411
0.009
12.769
0.006
8.323
0.005
90
null
100.72
0.06
90
null
1,922.5
1.8
null
null
null
null
null
null
null
null
5
C 1 2/c 1
-C 2yc
null
- C4 H22 O18 P4 Sr -
- C4 H22 O18 P4 Sr -
- C16 H88 O72 P16 Sr4 -
4
0.5
DU0334
Rochdaoui, R.; Silvestre, J.-P.; Quy Dao, Nguyen; Lee, M.-R.; Neuman, A.
Structure du trihydrogéno hydroxy-1 ethanedi(phosphonate)-1,1 de strontium tétrahydrate
Acta Crystallographica Section C
1,992
48
12
2132
2135
10.1107/S0108270192003780
1.5418
Cu
null
null
null
null
null
null
null
null
null
null
null
null
null
null
has coordinates
Rochdaoui, R.; Silvestre, J.-P.; Quy Dao, Nguyen; Lee, M.-R.; Neuman, A. Structure du trihydrogéno hydroxy-1 ethanedi(phosphonate)-1,1 de strontium tétrahydrate Acta Crystallographica Section C 48(12) (1992) 2132-2135
301,791
2025-08-18
23:14:59
#------------------------------------------------------------------------------ #$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/2/00/03/2000351.cif $ #-------------------------------------------------------------------...
2,000,352
14.913
0.003
17.348
0.003
8.168
0.002
90
null
90
null
90
null
2,113.1
0.8
null
null
null
null
null
null
null
null
4
F m m 2
null
- C20 H30 Cl2 U -
- C20 H30 Cl2 U -
- C80 H120 Cl8 U4 -
4
0.25
HA0097
Spirlet, M. R.; Rebizant, J.; Apostolidis, C.; Kanellakopulos, B.
Bis(cyclopentadienyl) actinide(IV) compounds. I. The structure of dichlorobis(pentamethyl-η^5^-cyclopentadienyl)uranium(IV) and dichlorobis(pentamethyl-η^5^-cyclopentadienyl)thorium(IV)
Acta Crystallographica Section C
1,992
48
12
2135
2137
10.1107/S0108270192003603
0.71073
Mo
null
null
null
null
null
null
null
null
null
null
null
null
null
null
has coordinates
Spirlet, M. R.; Rebizant, J.; Apostolidis, C.; Kanellakopulos, B. Bis(cyclopentadienyl) actinide(IV) compounds. I. The structure of dichlorobis(pentamethyl-η^5^-cyclopentadienyl)uranium(IV) and dichlorobis(pentamethyl-η^5^-cyclopentadienyl)thorium(IV) Acta Crystallographica Section C 48(12) (1992) 2135-2137
189,212
2020-10-21
18:00:00
#------------------------------------------------------------------------------ #$Date: 2016-12-19 03:39:24 +0200 (Mon, 19 Dec 2016) $ #$Revision: 189212 $ #$URL: file:///home/coder/svn-repositories/_RELOADED_COD/cod-reloaded/cif/2/00/03/2000352.cif $ #-------------------------------------------------------------------...
7,205,875
24.3342
0.0013
22.3283
0.0012
14.4168
0.0008
90
null
90
null
90
null
7,833.2
0.7
296
2
296
2
null
null
null
null
7
P n m a
-P 2ac 2n
62
- C54 H96 Br6 Cl4 Cu7 N20 O12 -
- C48 H68 Br6 Cl4 Cu7 N18 O10 -
- C192 H272 Br24 Cl16 Cu28 N72 O40 -
4
0.5
Xu, Yanqing; Xia, Peilei; Wang, Xiuteng; Wei, Wei; Zhang, Fanzhou; Hu, Changwen
Positional disorder of Cu(ii) ions in a cluster: a novel heptanuclear Cu(ii) core supported by 4-bromo-3,5-dimethylpyrazolate
CrystEngComm
2,011
13
8
2820
10.1039/c0ce00933d
0.71073
MoKα
0.0703
0.0462
null
null
0.1261
0.1417
null
null
null
null
null
1.044
null
null
has coordinates
Xu, Yanqing; Xia, Peilei; Wang, Xiuteng; Wei, Wei; Zhang, Fanzhou; Hu, Changwen Positional disorder of Cu(ii) ions in a cluster: a novel heptanuclear Cu(ii) core supported by 4-bromo-3,5-dimethylpyrazolate CrystEngComm 13(8) (2011) 2820
176,453
2020-10-21
18:00:00
#------------------------------------------------------------------------------ #$Date: 2016-02-16 03:10:39 +0200 (Tue, 16 Feb 2016) $ #$Revision: 176453 $ #$URL: file:///home/coder/svn-repositories/_RELOADED_COD/cod-reloaded/cif/7/20/58/7205875.cif $ #-------------------------------------------------------------------...
2,000,353
14.939
0.004
17.535
0.005
8.201
0.002
90
null
90
null
90
null
2,148.3
1
null
null
null
null
null
null
null
null
4
F m m 2
null
- C20 H30 Cl2 Th -
- C20 H30 Cl2 Th -
- C80 H120 Cl8 Th4 -
4
0.25
HA0097
Spirlet, M. R.; Rebizant, J.; Apostolidis, C.; Kanellakopulos, B.
Bis(cyclopentadienyl) actinide(IV) compounds. I. The structure of dichlorobis(pentamethyl-η^5^-cyclopentadienyl)uranium(IV) and dichlorobis(pentamethyl-η^5^-cyclopentadienyl)thorium(IV)
Acta Crystallographica Section C
1,992
48
12
2135
2137
10.1107/S0108270192003603
0.71073
Mo
null
null
null
null
null
null
null
null
null
null
null
null
null
null
has coordinates
Spirlet, M. R.; Rebizant, J.; Apostolidis, C.; Kanellakopulos, B. Bis(cyclopentadienyl) actinide(IV) compounds. I. The structure of dichlorobis(pentamethyl-η^5^-cyclopentadienyl)uranium(IV) and dichlorobis(pentamethyl-η^5^-cyclopentadienyl)thorium(IV) Acta Crystallographica Section C 48(12) (1992) 2135-2137
189,212
2020-10-21
18:00:00
#------------------------------------------------------------------------------ #$Date: 2016-12-19 03:39:24 +0200 (Mon, 19 Dec 2016) $ #$Revision: 189212 $ #$URL: file:///home/coder/svn-repositories/_RELOADED_COD/cod-reloaded/cif/2/00/03/2000353.cif $ #-------------------------------------------------------------------...
2,000,354
14.041
0.002
13.126
0.001
19.21
0.004
90
null
96.08
0.01
90
null
3,520.5
0.9
null
null
null
null
null
null
null
null
6
C 1 2/c 1
null
- C36 H30 Cl3 Mo O3 P2 -
- C36 H30 Cl4 Mo O4 P2 -
- C144 H120 Cl16 Mo4 O16 P8 -
4
0.5
GR0199
Owens, B. E.; Poli, R.
Structures of two molybdenum oxo complexes [MoOCl~3~(OPPh~3~)~2~] and [MoOI(dmpe)~2~]I
Acta Crystallographica Section C
1,992
48
12
2137
2140
10.1107/S010827019200475X
1.54178
Cu
null
null
null
null
null
null
null
null
null
null
null
null
null
null
has coordinates
Owens, B. E.; Poli, R. Structures of two molybdenum oxo complexes [MoOCl~3~(OPPh~3~)~2~] and [MoOI(dmpe)~2~]I Acta Crystallographica Section C 48(12) (1992) 2137-2140
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/2/00/03/2000354.cif $ #-------------------------------------------------------------------...
2,000,355
11.31
0.002
15.58
0.006
13.741
0.003
90
null
96.58
0.02
90
null
2,405.3
1.2
null
null
null
null
null
null
null
null
6
P 1 21/n 1
-P 2yn
14
- C12 H32 I2 Mo O P4 -
- C12 H32 I2 Mo O P4 -
- C48 H128 I8 Mo4 O4 P16 -
4
1
GR0199
Owens, B. E.; Poli, R.
Structures of two molybdenum oxo complexes [MoOCl~3~(OPPh~3~)~2~] and [MoOI(dmpe)~2~]I
Acta Crystallographica Section C
1,992
48
12
2137
2140
10.1107/S010827019200475X
1.54178
Cu
null
null
null
null
null
null
null
null
null
null
null
null
null
null
has coordinates
Owens, B. E.; Poli, R. Structures of two molybdenum oxo complexes [MoOCl~3~(OPPh~3~)~2~] and [MoOI(dmpe)~2~]I Acta Crystallographica Section C 48(12) (1992) 2137-2140
278,324
2022-10-03
14:41:52
#------------------------------------------------------------------------------ #$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/2/00/03/2000355.cif $ #-------------------------------------------------------------------...
2,000,356
27.217
0.012
11.708
0.002
8.416
0.006
90
null
104.82
0.02
90
null
2,593
2
null
null
null
null
null
null
null
null
6
C 1 2/m 1
-C 2y
null
- C36 H28 N4 O2 Pt S24 -
- C36 H28 N4 O2 Pt S24 -
- C72 H56 N8 O4 Pt2 S48 -
2
0.25
PA0279
Fettouhi, M.; Ouahab, L.; Grandjean, D.; Mousdis, G.; Delhaes, P.
Structure of two tetrakis(3,4-ethylenedithio-2,2',5,5'-tetrathiafulvalene) tetracyanometallate dihydrate salts: β-[EDTTTF]~4~[<i>M</i>(CN)~4~].2H~2~O, <i>M</i> = Pt^II^, Pd^II^
Acta Crystallographica Section C
1,992
48
12
2141
2144
10.1107/S0108270192003676
0.71073
Mo
null
null
null
null
null
null
null
null
null
null
null
null
null
null
has coordinates
Fettouhi, M.; Ouahab, L.; Grandjean, D.; Mousdis, G.; Delhaes, P. Structure of two tetrakis(3,4-ethylenedithio-2,2',5,5'-tetrathiafulvalene) tetracyanometallate dihydrate salts: β-[EDTTTF]~4~[<i>M</i>(CN)~4~].2H~2~O, <i>M</i> = Pt^II^, Pd^II^ Acta Crystallographica Section C 48(12) (1992) 2141-2144
199,607
2020-10-21
18:00:00
#------------------------------------------------------------------------------ #$Date: 2017-08-07 04:53:34 +0300 (Mon, 07 Aug 2017) $ #$Revision: 199607 $ #$URL: file:///home/coder/svn-repositories/_RELOADED_COD/cod-reloaded/cif/2/00/03/2000356.cif $ #-------------------------------------------------------------------...
7,205,874
23.261
0.004
13.8565
0.0019
24.237
0.004
90
null
106.222
0.002
90
null
7,501
2
293
2
293
2
null
null
null
null
7
C 1 2/c 1
-C 2yc
15
- C50 H85 Br6 Cl4 Cu7 N17 O9 -
- C50 H54 Br6 Cl4 Cu7 N17 O9 -
- C200 H216 Br24 Cl16 Cu28 N68 O36 -
4
0.5
Xu, Yanqing; Xia, Peilei; Wang, Xiuteng; Wei, Wei; Zhang, Fanzhou; Hu, Changwen
Positional disorder of Cu(ii) ions in a cluster: a novel heptanuclear Cu(ii) core supported by 4-bromo-3,5-dimethylpyrazolate
CrystEngComm
2,011
13
8
2820
10.1039/c0ce00933d
0.71073
MoKα
0.1055
0.0923
null
null
0.1666
0.1729
null
null
null
null
null
1.147
null
null
has coordinates
Xu, Yanqing; Xia, Peilei; Wang, Xiuteng; Wei, Wei; Zhang, Fanzhou; Hu, Changwen Positional disorder of Cu(ii) ions in a cluster: a novel heptanuclear Cu(ii) core supported by 4-bromo-3,5-dimethylpyrazolate CrystEngComm 13(8) (2011) 2820
180,389
2020-10-21
18:00:00
#------------------------------------------------------------------------------ #$Date: 2016-03-26 17:21:16 +0200 (Sat, 26 Mar 2016) $ #$Revision: 180389 $ #$URL: file:///home/coder/svn-repositories/_RELOADED_COD/cod-reloaded/cif/7/20/58/7205874.cif $ #-------------------------------------------------------------------...
2,000,357
26.79
0.016
11.736
0.004
8.467
0.004
90
null
104.19
0.05
90
null
2,581
2
null
null
null
null
null
null
null
null
6
C 1 2/m 1
-C 2y
null
- C36 H28 N4 O2 Pd S24 -
- C36 H28 N4 O2 Pd S24 -
- C72 H56 N8 O4 Pd2 S48 -
2
0.25
PA0279
Fettouhi, M.; Ouahab, L.; Grandjean, D.; Mousdis, G.; Delhaes, P.
Structure of two tetrakis(3,4-ethylenedithio-2,2',5,5'-tetrathiafulvalene) tetracyanometallate dihydrate salts: β-[EDTTTF]~4~[<i>M</i>(CN)~4~].2H~2~O, <i>M</i> = Pt^II^, Pd^II^
Acta Crystallographica Section C
1,992
48
12
2141
2144
10.1107/S0108270192003676
0.71073
Mo
null
null
null
null
null
null
null
null
null
null
null
null
null
null
has coordinates
Fettouhi, M.; Ouahab, L.; Grandjean, D.; Mousdis, G.; Delhaes, P. Structure of two tetrakis(3,4-ethylenedithio-2,2',5,5'-tetrathiafulvalene) tetracyanometallate dihydrate salts: β-[EDTTTF]~4~[<i>M</i>(CN)~4~].2H~2~O, <i>M</i> = Pt^II^, Pd^II^ Acta Crystallographica Section C 48(12) (1992) 2141-2144
199,607
2020-10-21
18:00:00
#------------------------------------------------------------------------------ #$Date: 2017-08-07 04:53:34 +0300 (Mon, 07 Aug 2017) $ #$Revision: 199607 $ #$URL: file:///home/coder/svn-repositories/_RELOADED_COD/cod-reloaded/cif/2/00/03/2000357.cif $ #-------------------------------------------------------------------...
2,000,358
8.3737
0.0008
10.6469
0.0008
22.429
0.002
90
null
90
null
90
null
1,999.6
0.3
null
null
null
null
null
null
null
null
3
P 21 21 21
P 2ac 2ab
null
- C22 H32 O5 -
- C22 H32 O5 -
- C88 H128 O20 -
4
1
GE0309
Puliti, R.; Gavagnin, M.; Cimino, G.; Mattia, C. A.; Mazzarella, L.
Structure of chelonaplysin C: a spongian diterpenoid from nudibranch <i>Chromodoris luteorosea</i>
Acta Crystallographica Section C
1,992
48
12
2145
2147
10.1107/S0108270192003196
1.54178
Cu
null
null
null
null
null
null
null
null
null
null
null
null
null
null
has coordinates
Puliti, R.; Gavagnin, M.; Cimino, G.; Mattia, C. A.; Mazzarella, L. Structure of chelonaplysin C: a spongian diterpenoid from nudibranch <i>Chromodoris luteorosea</i> Acta Crystallographica Section C 48(12) (1992) 2145-2147
301,791
2025-08-18
23:14:59
#------------------------------------------------------------------------------ #$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/2/00/03/2000358.cif $ #-------------------------------------------------------------------...
2,000,359
19.362
0.001
6.703
0.001
20.011
0.001
90
null
109.656
0.004
90
null
2,445.8
0.4
null
null
null
null
null
null
null
null
3
P 1 2/n 1
null
- C15 H20 O2 -
- C7.5 H4 O -
- C60 H32 O8 -
8
2
HH0596
Lloyd, B. A.; Arif, A. M.; Allred, E. L.
Pyramidalization in a tetracyclic perpendicular diene derivative
Acta Crystallographica Section C
1,992
48
12
2147
2151
10.1107/S0108270192003809
1.54056
Cu
null
null
null
null
null
null
null
null
null
null
null
null
null
null
has coordinates
Lloyd, B. A.; Arif, A. M.; Allred, E. L. Pyramidalization in a tetracyclic perpendicular diene derivative Acta Crystallographica Section C 48(12) (1992) 2147-2151
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/2/00/03/2000359.cif $ #-------------------------------------------------------------------...
7,205,873
9.742
0.003
12.158
0.003
12.383
0.003
61.15
0.003
76.851
0.003
82.676
0.004
1,250.7
0.6
293
2
293
2
null
null
null
null
6
P -1
-P 1
2
- C25 H15 Ag N6 O8 Tb -
- C25 H15 Ag N6 O8 Tb -
- C50 H30 Ag2 N12 O16 Tb2 -
2
1
Ma, Li; Qiu, Yong-Cai; Peng, Guo; Cai, Jin-Biao; Deng, Hong; Zeller, Matthias
Self-assembly of d‒f coordination frameworks based on 1H-benzimidazole-5-carboxylic acid: synthesis, structure and luminescence
CrystEngComm
2,011
13
11
3852
10.1039/c0ce00923g
0.71073
MoKα
0.0669
0.0524
null
null
0.1244
0.1338
null
null
null
null
null
1.005
null
null
has coordinates
Ma, Li; Qiu, Yong-Cai; Peng, Guo; Cai, Jin-Biao; Deng, Hong; Zeller, Matthias Self-assembly of d‒f coordination frameworks based on 1H-benzimidazole-5-carboxylic acid: synthesis, structure and luminescence CrystEngComm 13(11) (2011) 3852
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/7/20/58/7205873.cif $ #-------------------------------------------------------------------...
2,000,360
13.1959
0.0008
13.1959
0.0008
26.6986
0.0011
90
null
90
null
90
null
4,649.1
0.4
null
null
null
null
null
null
null
null
3
P 42/m b c
-P 4c 2ab
null
- C23 H32 O8 -
- C24 H34 O8 -
- C192 H272 O64 -
8
0.5
DU0316
Drouin, M.; Lamothe, S.; Michel, A. G.
Functionalized hydrocarbons with condensed ring skeletons. XII. A methyltricyclo[8.4.0.0^2,7^]tetradec-8-ene and a vinylcyclododeca-3,9-diene, products from competing intramolecular Diels-Alder cycloadditions
Acta Crystallographica Section C
1,992
48
12
2151
2154
10.1107/S0108270192004426
1.54056
Cu
null
null
null
null
null
null
null
null
null
null
null
null
null
null
has coordinates
Drouin, M.; Lamothe, S.; Michel, A. G. Functionalized hydrocarbons with condensed ring skeletons. XII. A methyltricyclo[8.4.0.0^2,7^]tetradec-8-ene and a vinylcyclododeca-3,9-diene, products from competing intramolecular Diels-Alder cycloadditions Acta Crystallographica Section C 48(12) (1992) 2151-2154
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/2/00/03/2000360.cif $ #-------------------------------------------------------------------...
2,000,361
12.767
0.005
10.199
0.003
19.175
0.003
90
null
109.21
0.02
90
null
2,357.8
1.2
null
null
null
null
null
null
null
null
3
P 1 21/n 1
-P 2yn
14
- C23 H32 O8 -
- C23 H32 O8 -
- C92 H128 O32 -
4
1
DU0316
Drouin, M.; Lamothe, S.; Michel, A. G.
Functionalized hydrocarbons with condensed ring skeletons. XII. A methyltricyclo[8.4.0.0^2,7^]tetradec-8-ene and a vinylcyclododeca-3,9-diene, products from competing intramolecular Diels-Alder cycloadditions
Acta Crystallographica Section C
1,992
48
12
2151
2154
10.1107/S0108270192004426
1.54056
Cu
null
null
null
null
null
null
null
null
null
null
null
null
null
null
has coordinates
Drouin, M.; Lamothe, S.; Michel, A. G. Functionalized hydrocarbons with condensed ring skeletons. XII. A methyltricyclo[8.4.0.0^2,7^]tetradec-8-ene and a vinylcyclododeca-3,9-diene, products from competing intramolecular Diels-Alder cycloadditions Acta Crystallographica Section C 48(12) (1992) 2151-2154
301,791
2025-08-18
23:14:59
#------------------------------------------------------------------------------ #$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/2/00/03/2000361.cif $ #-------------------------------------------------------------------...
2,000,362
24.911
0.004
10.028
0.002
17.042
0.002
90
null
121.367
0.008
90
null
3,635
1.1
null
null
null
null
null
null
null
null
5
C 1 2/c 1
-C 2yc
15
- C21 H19 N O2 S2 -
- C21 H19 N O2 S2 -
- C168 H152 N8 O16 S16 -
8
1
HE0048
Beddoes, R. L.; Griera, R.; Alvarez, M.; Joule, J. A.
Structure of 2,3-dihydro-1-methylquinolin-2-spiro-2'-indan-3'-spiro-2''-(1'',3''-dithiane)-4,1'-dione
Acta Crystallographica Section C
1,992
48
12
2154
2157
10.1107/S0108270192002531
1.54178
Cu
null
null
null
null
null
null
null
null
null
null
null
null
null
null
has coordinates
Beddoes, R. L.; Griera, R.; Alvarez, M.; Joule, J. A. Structure of 2,3-dihydro-1-methylquinolin-2-spiro-2'-indan-3'-spiro-2''-(1'',3''-dithiane)-4,1'-dione Acta Crystallographica Section C 48(12) (1992) 2154-2157
301,791
2025-08-18
23:14:59
#------------------------------------------------------------------------------ #$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/2/00/03/2000362.cif $ #-------------------------------------------------------------------...
7,205,872
16.1117
0.0014
5.3028
0.0005
18.7099
0.0017
90
null
101.111
0.001
90
null
1,568.6
0.2
296
2
296
2
null
null
null
null
7
P 1 21 1
P 2yb
4
- C32 H20 Br Cu2 N8 O8 Yb -
- C32 H20 Br Cu2 N8 O8 Yb -
- C64 H40 Br2 Cu4 N16 O16 Yb2 -
2
1
Ma, Li; Qiu, Yong-Cai; Peng, Guo; Cai, Jin-Biao; Deng, Hong; Zeller, Matthias
Self-assembly of d‒f coordination frameworks based on 1H-benzimidazole-5-carboxylic acid: synthesis, structure and luminescence
CrystEngComm
2,011
13
11
3852
10.1039/c0ce00923g
0.71073
MoKα
0.0335
0.0307
null
null
0.0679
0.0692
null
null
null
null
null
1.034
null
null
has coordinates
Ma, Li; Qiu, Yong-Cai; Peng, Guo; Cai, Jin-Biao; Deng, Hong; Zeller, Matthias Self-assembly of d‒f coordination frameworks based on 1H-benzimidazole-5-carboxylic acid: synthesis, structure and luminescence CrystEngComm 13(11) (2011) 3852
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/7/20/58/7205872.cif $ #-------------------------------------------------------------------...
2,000,363
7.137
0.001
14.438
0.003
16.11
0.003
90
null
90
null
90
null
1,660
0.5
null
null
null
null
null
null
null
null
4
P b c a
-P 2ac 2ab
null
- C9 H9 N O3 -
- C9 H12 N O3 -
- C72 H96 N8 O24 -
8
1
AB0273
Maurin, J. K.; Paul, I. C.; Curtin, D. Y.
Structure of <i>p</i>-acetylbenzoic acid oxime
Acta Crystallographica Section C
1,992
48
12
2163
2165
10.1107/S0108270192003159
0.71073
Mo
null
null
null
null
null
null
null
null
null
null
null
null
null
null
has coordinates,has disorder
Maurin, J. K.; Paul, I. C.; Curtin, D. Y. Structure of <i>p</i>-acetylbenzoic acid oxime Acta Crystallographica Section C 48(12) (1992) 2163-2165
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/2/00/03/2000363.cif $ #-------------------------------------------------------------------...
2,000,364
9.169
0.001
9.37
0.001
13.883
0.002
90
null
92.028
0.004
90
null
1,192
0.3
null
null
null
null
null
null
null
null
4
P 1 21/n 1
-P 2yn
14
- C14 H11 N O3 -
- C14 H11 N O3 -
- C56 H44 N4 O12 -
4
1
AB0272
Maurin, J. K.; Paul, I. C.; Curtin, D. Y.
Structure of 3-benzoylbenzoic acid oxime
Acta Crystallographica Section C
1,992
48
12
2165
2167
10.1107/S0108270192003147
0.71073
Mo
null
null
null
null
null
null
null
null
null
null
null
null
null
null
has coordinates
Maurin, J. K.; Paul, I. C.; Curtin, D. Y. Structure of 3-benzoylbenzoic acid oxime Acta Crystallographica Section C 48(12) (1992) 2165-2167
301,791
2025-08-18
23:14:59
#------------------------------------------------------------------------------ #$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/2/00/03/2000364.cif $ #-------------------------------------------------------------------...
2,000,365
26.157
0.005
5.979
0.001
19.492
0.003
90
null
97.79
0.01
90
null
3,020.3
0.9
null
null
null
null
null
null
null
null
4
C 1 2/c 1
-C 2yc
15
- C17 H15 N O4 -
- C17 H15 N O4 -
- C136 H120 N8 O32 -
8
1
GE0306
Giordano, F.
Structure of methyl 3-benzyl-5-phenyl-3<i>H</i>-1,2,4-dioxazole-3-carboxylate
Acta Crystallographica Section C
1,992
48
12
2172
2174
10.1107/S0108270192003871
1.5418
Cu
null
null
null
null
null
null
null
null
null
null
null
null
null
null
has coordinates
Giordano, F. Structure of methyl 3-benzyl-5-phenyl-3<i>H</i>-1,2,4-dioxazole-3-carboxylate Acta Crystallographica Section C 48(12) (1992) 2172-2174
301,791
2025-08-18
23:14:59
#------------------------------------------------------------------------------ #$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/2/00/03/2000365.cif $ #-------------------------------------------------------------------...
2,000,366
13.327
0.005
19.277
0.008
6.361
0.002
90
null
90
null
90
null
1,634.2
1
null
null
null
null
null
null
null
null
4
P 21 21 2
null
- C17 H22 O3 S -
- C17 H21 O3 S -
- C68 H84 O12 S4 -
4
1
AL0533
Rambaud, J.; Pauvert, B.; Boussab, A.; Terol, A.; Chevallet, P.; Declercq, J.-P.
Structure of polymorph II of (1<i>R</i>,3<i>S</i>)-1,2,2-trimethyl-3-(4-methylthiobenzoyl)cyclopentanecarboxylic acid
Acta Crystallographica Section C
1,992
48
12
2174
2177
10.1107/S010827019200338X
1.54178
Cu
null
null
null
null
null
null
null
null
null
null
null
null
null
null
has coordinates
Rambaud, J.; Pauvert, B.; Boussab, A.; Terol, A.; Chevallet, P.; Declercq, J.-P. Structure of polymorph II of (1<i>R</i>,3<i>S</i>)-1,2,2-trimethyl-3-(4-methylthiobenzoyl)cyclopentanecarboxylic acid Acta Crystallographica Section C 48(12) (1992) 2174-2177
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/2/00/03/2000366.cif $ #-------------------------------------------------------------------...
2,000,367
14.589
0.002
8.33
0.003
8.186
0.004
90
null
103.17
0.02
90
null
968.6
0.6
null
null
null
null
null
null
null
null
4
P 1 21/c 1
-P 2ybc
14
- C12 H13 N O -
- C12 H13 N O -
- C48 H52 N4 O4 -
4
1
GR0201
Eggleston, D. S.; Baures, P. W.; Grabowska, U.; Marson, C. M.; Walsgrove, T.
Structures of three tricyclic γ-lactams
Acta Crystallographica Section C
1,992
48
12
2177
2181
10.1107/S0108270192003111
0.71073
Mo
null
null
null
null
null
null
null
null
null
null
null
null
null
null
has coordinates
Eggleston, D. S.; Baures, P. W.; Grabowska, U.; Marson, C. M.; Walsgrove, T. Structures of three tricyclic γ-lactams Acta Crystallographica Section C 48(12) (1992) 2177-2181
301,791
2025-08-18
23:14:59
#------------------------------------------------------------------------------ #$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/2/00/03/2000367.cif $ #-------------------------------------------------------------------...
7,205,871
15.993
0.002
5.3401
0.0007
18.709
0.002
90
null
101.289
0.002
90
null
1,566.9
0.3
296
2
296
2
null
null
null
null
7
P 1 21 1
P 2yb
4
- C32 H20 Br Cu2 Er N8 O8 -
- C32 H20 Br Cu2 Er N8 O8 -
- C64 H40 Br2 Cu4 Er2 N16 O16 -
2
1
Ma, Li; Qiu, Yong-Cai; Peng, Guo; Cai, Jin-Biao; Deng, Hong; Zeller, Matthias
Self-assembly of d‒f coordination frameworks based on 1H-benzimidazole-5-carboxylic acid: synthesis, structure and luminescence
CrystEngComm
2,011
13
11
3852
10.1039/c0ce00923g
0.71073
MoKα
0.0342
0.0295
null
null
0.0634
0.0655
null
null
null
null
null
0.991
null
null
has coordinates
Ma, Li; Qiu, Yong-Cai; Peng, Guo; Cai, Jin-Biao; Deng, Hong; Zeller, Matthias Self-assembly of d‒f coordination frameworks based on 1H-benzimidazole-5-carboxylic acid: synthesis, structure and luminescence CrystEngComm 13(11) (2011) 3852
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/7/20/58/7205871.cif $ #-------------------------------------------------------------------...
2,000,368
9.1
0.003
9.678
0.004
17.36
0.002
90
null
90
null
90
null
1,528.9
0.8
null
null
null
null
null
null
null
null
4
P 21 21 21
P 2ac 2ab
19
- C19 H19 N O -
- C19 H19 N O -
- C76 H76 N4 O4 -
4
1
GR0201
Eggleston, D. S.; Baures, P. W.; Grabowska, U.; Marson, C. M.; Walsgrove, T.
Structures of three tricyclic γ-lactams
Acta Crystallographica Section C
1,992
48
12
2177
2181
10.1107/S0108270192003111
1.5406
Cu
null
null
null
null
null
null
null
null
null
null
null
null
null
null
has coordinates
Eggleston, D. S.; Baures, P. W.; Grabowska, U.; Marson, C. M.; Walsgrove, T. Structures of three tricyclic γ-lactams Acta Crystallographica Section C 48(12) (1992) 2177-2181
301,791
2025-08-18
23:14:59
#------------------------------------------------------------------------------ #$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/2/00/03/2000368.cif $ #-------------------------------------------------------------------...
2,000,369
8.121
0.005
16.257
0.004
8.686
0.002
90
null
107.65
0.02
90
null
1,092.8
0.8
null
null
null
null
null
null
null
null
4
P 1 21/n 1
-P 2yn
14
- C13 H15 N O -
- C13 H15 N O -
- C52 H60 N4 O4 -
4
1
GR0201
Eggleston, D. S.; Baures, P. W.; Grabowska, U.; Marson, C. M.; Walsgrove, T.
Structures of three tricyclic γ-lactams
Acta Crystallographica Section C
1,992
48
12
2177
2181
10.1107/S0108270192003111
0.71073
Mo
null
null
null
null
null
null
null
null
null
null
null
null
null
null
has coordinates
Eggleston, D. S.; Baures, P. W.; Grabowska, U.; Marson, C. M.; Walsgrove, T. Structures of three tricyclic γ-lactams Acta Crystallographica Section C 48(12) (1992) 2177-2181
301,791
2025-08-18
23:14:59
#------------------------------------------------------------------------------ #$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/2/00/03/2000369.cif $ #-------------------------------------------------------------------...
2,000,370
14.3799
0.0007
5.0922
0.0007
16.4737
0.0011
90
null
108.717
0.004
90
null
1,142.5
0.19
null
null
null
null
null
null
null
null
4
P 1 21 1
P 2yb
4
- C12 H15 N O3 -
- C12 H15 N O3 -
- C48 H60 N4 O12 -
4
2
AB0233
Kozma, D.; Larsen, S.; Ács, M.
Structure of (<i>R</i>)-<i>N</i>-(1-phenylethyl)succinamic acid at 110 K
Acta Crystallographica Section C
1,992
48
12
2182
2185
10.1107/S0108270192003652
1.54178
Cu
null
null
null
null
null
null
null
null
null
null
null
null
null
null
has coordinates,has disorder
Kozma, D.; Larsen, S.; Ács, M. Structure of (<i>R</i>)-<i>N</i>-(1-phenylethyl)succinamic acid at 110 K Acta Crystallographica Section C 48(12) (1992) 2182-2185
301,791
2025-08-18
23:14:59
#------------------------------------------------------------------------------ #$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/2/00/03/2000370.cif $ #-------------------------------------------------------------------...
2,000,371
10.572
0.004
12.91
0.005
9.547
0.004
94.85
0.03
111.62
0.03
75.4
0.04
1,172.2
0.9
null
null
null
null
null
null
null
null
4
P -1
-P 1
2
- C14 H12 N2 O2 -
- C14 H12 N2 O2 -
- C56 H48 N8 O8 -
4
2
HH0584
Chen, Z.; Masnovi, J.; Baker, R. J.; Krafcik, R. B.; Towns, R. L. R.
Structures of 9-ethyl-3-nitrocarbazole and 1-(9-carbazolyl)-3-(3-nitro-9-carbazolyl)propane
Acta Crystallographica Section C
1,992
48
12
2185
2189
10.1107/S0108270192003792
0.71073
Mo
null
null
null
null
null
null
null
null
null
null
null
null
null
null
has coordinates
Chen, Z.; Masnovi, J.; Baker, R. J.; Krafcik, R. B.; Towns, R. L. R. Structures of 9-ethyl-3-nitrocarbazole and 1-(9-carbazolyl)-3-(3-nitro-9-carbazolyl)propane Acta Crystallographica Section C 48(12) (1992) 2185-2189
301,791
2025-08-18
23:14:59
#------------------------------------------------------------------------------ #$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/2/00/03/2000371.cif $ #-------------------------------------------------------------------...
2,000,372
13.1193
0.0003
8.8488
0.0002
9.3648
0.0004
100.35
0.03
103.16
0.02
92.61
0.02
1,037.14
0.16
null
null
null
null
null
null
null
null
4
P -1
-P 1
2
- C27 H21 N3 O2 -
- C27 H21 N3 O2 -
- C54 H42 N6 O4 -
2
1
HH0584
Chen, Z.; Masnovi, J.; Baker, R. J.; Krafcik, R. B.; Towns, R. L. R.
Structures of 9-ethyl-3-nitrocarbazole and 1-(9-carbazolyl)-3-(3-nitro-9-carbazolyl)propane
Acta Crystallographica Section C
1,992
48
12
2185
2189
10.1107/S0108270192003792
0.71073
Mo
null
null
null
null
null
null
null
null
null
null
null
null
null
null
has coordinates
Chen, Z.; Masnovi, J.; Baker, R. J.; Krafcik, R. B.; Towns, R. L. R. Structures of 9-ethyl-3-nitrocarbazole and 1-(9-carbazolyl)-3-(3-nitro-9-carbazolyl)propane Acta Crystallographica Section C 48(12) (1992) 2185-2189
301,791
2025-08-18
23:14:59
#------------------------------------------------------------------------------ #$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/2/00/03/2000372.cif $ #-------------------------------------------------------------------...
7,205,870
8.8964
0.0009
12.3459
0.0013
13.86
0.0014
72.95
0.001
84.272
0.001
71.648
0.001
1,381.3
0.2
296
2
296
2
null
null
null
null
6
P -1
-P 1
2
- C26 H19 Ag2 Eu N6 O9 -
- C26 H19 Ag2 Eu N6 O9 -
- C52 H38 Ag4 Eu2 N12 O18 -
2
1
Ma, Li; Qiu, Yong-Cai; Peng, Guo; Cai, Jin-Biao; Deng, Hong; Zeller, Matthias
Self-assembly of d‒f coordination frameworks based on 1H-benzimidazole-5-carboxylic acid: synthesis, structure and luminescence
CrystEngComm
2,011
13
11
3852
10.1039/c0ce00923g
0.71073
MoKα
0.0418
0.0352
null
null
0.079
0.0832
null
null
null
null
null
1.045
null
null
has coordinates
Ma, Li; Qiu, Yong-Cai; Peng, Guo; Cai, Jin-Biao; Deng, Hong; Zeller, Matthias Self-assembly of d‒f coordination frameworks based on 1H-benzimidazole-5-carboxylic acid: synthesis, structure and luminescence CrystEngComm 13(11) (2011) 3852
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/7/20/58/7205870.cif $ #-------------------------------------------------------------------...
2,000,373
13.331
0.003
13.797
0.005
28.179
0.006
90
null
90
null
90
null
5,183
2
298
null
298
null
null
null
null
null
5
P b c a
null
- C25 H35 I N2 O4 -
- C25 H35 I N2 O4 -
- C200 H280 I8 N16 O32 -
8
1
NA0017
Dapporto, P.; Paoli, P.; Sega, A.
{2-[<i>p</i>-(<i>o</i>-Butoxybenzamido)benzoyloxy]ethyl}diethylmethylammonium iodide
Acta Crystallographica Section C
1,992
48
12
2189
2192
10.1107/S010827019200413X
0.71069
Mo-Kalpha
null
0.065
null
null
0.07
null
null
null
null
3.05
3.05
null
null
null
has coordinates
Dapporto, P.; Paoli, P.; Sega, A. {2-[<i>p</i>-(<i>o</i>-Butoxybenzamido)benzoyloxy]ethyl}diethylmethylammonium iodide Acta Crystallographica Section C 48(12) (1992) 2189-2192
301,791
2025-08-18
23:14:59
#------------------------------------------------------------------------------ #$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/2/00/03/2000373.cif $ #-------------------------------------------------------------------...
2,000,374
6.746
0.001
7.712
0.001
12.62
0.01
90
null
102.86
0.01
90
null
640.1
0.5
null
null
null
null
null
null
null
null
3
P 1 21 1
null
- C13 H24 O3 -
- C13 H24 O3 -
- C26 H48 O6 -
2
1
AL0522
Rodríguez, M. L.; Brito B, I.; González, A. G.; Almonacid, L. N.; Pérez, C.; Trujillo, J. M.
Structure of a new C~13~-norisoprenoid
Acta Crystallographica Section C
1,992
48
12
2192
2194
10.1107/S0108270192002610
1.5418
Cu
null
null
null
null
null
null
null
null
null
null
null
null
null
null
has coordinates
Rodríguez, M. L.; Brito B, I.; González, A. G.; Almonacid, L. N.; Pérez, C.; Trujillo, J. M. Structure of a new C~13~-norisoprenoid Acta Crystallographica Section C 48(12) (1992) 2192-2194
301,791
2025-08-18
23:14:59
#------------------------------------------------------------------------------ #$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/2/00/03/2000374.cif $ #-------------------------------------------------------------------...
2,000,375
10.307
0.003
9.364
0.003
7.394
0.002
90
null
104.65
0.02
90
null
690.4
0.4
null
null
null
null
null
null
null
null
4
P 1 21 1
null
- C13 H16 N2 O5 -
- C13 H16 N2 O5 -
- C26 H32 N4 O10 -
2
1
PA0277
Chiaroni, A.; Langlois, N.; Riche, C.; Snatzke, G.
Structure of (2<i>S</i>,5<i>S</i>)-2-hydroxymethyl-5-methoxy-<i>N</i>-<i>o</i>-nitrobenzoylpyrrolidine
Acta Crystallographica Section C
1,992
48
12
2194
2196
10.1107/S0108270192003664
1.5418
Cu
null
null
null
null
null
null
null
null
null
null
null
null
null
null
has coordinates
Chiaroni, A.; Langlois, N.; Riche, C.; Snatzke, G. Structure of (2<i>S</i>,5<i>S</i>)-2-hydroxymethyl-5-methoxy-<i>N</i>-<i>o</i>-nitrobenzoylpyrrolidine Acta Crystallographica Section C 48(12) (1992) 2194-2196
301,791
2025-08-18
23:14:59
#------------------------------------------------------------------------------ #$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/2/00/03/2000375.cif $ #-------------------------------------------------------------------...
2,000,376
11.945
0.002
22.24
0.006
24.407
0.005
90
null
90
null
90
null
6,484
2
null
null
null
null
null
null
null
null
5
P 21 21 21
P 2ac 2ab
19
- C33 H43 N O6 S -
- C33 H43 N O6 S -
- C264 H344 N8 O48 S8 -
8
2
HU1000
Andrews, J. F. P.; Regan, A. C.; Wallis, J. D.; Povey, D. C.
A substrate for the asymmetric Nazarov cyclization
Acta Crystallographica Section C
1,992
48
12
2196
2199
10.1107/S010827019200492X
0.71069
MoKα
null
null
null
null
null
null
null
null
null
null
null
null
null
null
has coordinates
Andrews, J. F. P.; Regan, A. C.; Wallis, J. D.; Povey, D. C. A substrate for the asymmetric Nazarov cyclization Acta Crystallographica Section C 48(12) (1992) 2196-2199
301,791
2025-08-18
23:14:59
#------------------------------------------------------------------------------ #$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/2/00/03/2000376.cif $ #-------------------------------------------------------------------...
2,000,377
8.0903
0.0004
24.865
0.001
13.442
0.001
90
null
96.79
0.01
90
null
2,685.1
0.3
null
null
null
null
null
null
null
null
4
P 1 n 1
P -2yac
null
- C27 H33 O9 P -
- C27 H33 O9 P -
- C108 H132 O36 P4 -
4
2
CR0412
Nemeth, G.; Pinkerton, A. A.; Stowe, J. A.; Ogle, C. A.
Structure of tris(2,4,6-trimethoxyphenyl)phosphine. Resolution of space-group ambiguity by solid-state NMR
Acta Crystallographica Section C
1,992
48
12
2200
2203
10.1107/S0108270192004402
0.7093
Mo
null
null
null
null
null
null
null
null
null
null
null
null
null
null
has coordinates
Nemeth, G.; Pinkerton, A. A.; Stowe, J. A.; Ogle, C. A. Structure of tris(2,4,6-trimethoxyphenyl)phosphine. Resolution of space-group ambiguity by solid-state NMR Acta Crystallographica Section C 48(12) (1992) 2200-2203
301,791
2025-08-18
23:14:59
#------------------------------------------------------------------------------ #$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/2/00/03/2000377.cif $ #-------------------------------------------------------------------...
7,205,869
16.0731
0.0006
5.4794
0.0002
21.8203
0.0008
90
null
108.287
0.002
90
null
1,824.68
0.12
296
2
296
2
null
null
null
null
6
P 1 21/n 1
-P 2yn
14
- C32 H26 Ag3 N8 O12 Tb -
- C32 H26 Ag3 N8 O12 Tb -
- C64 H52 Ag6 N16 O24 Tb2 -
2
0.5
Ma, Li; Qiu, Yong-Cai; Peng, Guo; Cai, Jin-Biao; Deng, Hong; Zeller, Matthias
Self-assembly of d‒f coordination frameworks based on 1H-benzimidazole-5-carboxylic acid: synthesis, structure and luminescence
CrystEngComm
2,011
13
11
3852
3861
10.1039/c0ce00923g
0.71073
MoKα
0.0496
0.0388
null
null
0.0863
0.0913
null
null
null
null
null
1.012
null
null
has coordinates
Ma, Li; Qiu, Yong-Cai; Peng, Guo; Cai, Jin-Biao; Deng, Hong; Zeller, Matthias Self-assembly of d‒f coordination frameworks based on 1H-benzimidazole-5-carboxylic acid: synthesis, structure and luminescence CrystEngComm 13(11) (2011) 3852-3861
180,548
2020-10-21
18:00:00
#------------------------------------------------------------------------------ #$Date: 2016-03-27 06:20:24 +0300 (Sun, 27 Mar 2016) $ #$Revision: 180548 $ #$URL: file:///home/coder/svn-repositories/_RELOADED_COD/cod-reloaded/cif/7/20/58/7205869.cif $ #-------------------------------------------------------------------...
2,000,378
10.677
0.002
26.122
0.003
13.053
0.002
90
null
92.96
0.02
90
null
3,635.7
1
null
null
null
null
null
null
null
null
3
P 1 21/c 1
-P 2ybc
null
- C25 H22 O -
- C25 H22 O -
- C200 H176 O8 -
8
2
HA0099
Jones, P. G.; Schomburg, D.; Hopf, H.; Lehne, V.
Structures of three derivatives of 5,12-methano[2.2.2]paracyclophane
Acta Crystallographica Section C
1,992
48
12
2203
2207
10.1107/S0108270192004141
1.54178
Cu
null
null
null
null
null
null
null
null
null
null
null
null
null
null
has coordinates
Jones, P. G.; Schomburg, D.; Hopf, H.; Lehne, V. Structures of three derivatives of 5,12-methano[2.2.2]paracyclophane Acta Crystallographica Section C 48(12) (1992) 2203-2207
301,791
2025-08-18
23:14:59
#------------------------------------------------------------------------------ #$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/2/00/03/2000378.cif $ #-------------------------------------------------------------------...
2,000,379
15.714
0.002
31.126
0.005
11.476
0.002
90
null
96.51
0.02
90
null
5,576.9
1.5
null
null
null
null
null
null
null
null
3
C 1 c 1
C -2yc
null
- C25 H24 O -
- C25 H24 O -
- C300 H288 O12 -
12
3
HA0099
Jones, P. G.; Schomburg, D.; Hopf, H.; Lehne, V.
Structures of three derivatives of 5,12-methano[2.2.2]paracyclophane
Acta Crystallographica Section C
1,992
48
12
2203
2207
10.1107/S0108270192004141
0.71069
Mo
null
null
null
null
null
null
null
null
null
null
null
null
null
null
has coordinates
Jones, P. G.; Schomburg, D.; Hopf, H.; Lehne, V. Structures of three derivatives of 5,12-methano[2.2.2]paracyclophane Acta Crystallographica Section C 48(12) (1992) 2203-2207
301,791
2025-08-18
23:14:59
#------------------------------------------------------------------------------ #$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/2/00/03/2000379.cif $ #-------------------------------------------------------------------...
2,000,380
23.978
0.004
23.978
0.004
8.918
0.002
90
null
90
null
120
null
4,440.4
1.4
null
null
null
null
null
null
null
null
3
R 3 :H
R 3
null
- C26 H26 O -
- C26 H26 O -
- C234 H234 O9 -
9
1
HA0099
Jones, P. G.; Schomburg, D.; Hopf, H.; Lehne, V.
Structures of three derivatives of 5,12-methano[2.2.2]paracyclophane
Acta Crystallographica Section C
1,992
48
12
2203
2207
10.1107/S0108270192004141
0.71069
Mo
null
null
null
null
null
null
null
null
null
null
null
null
null
null
has coordinates
Jones, P. G.; Schomburg, D.; Hopf, H.; Lehne, V. Structures of three derivatives of 5,12-methano[2.2.2]paracyclophane Acta Crystallographica Section C 48(12) (1992) 2203-2207
301,791
2025-08-18
23:14:59
#------------------------------------------------------------------------------ #$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/2/00/03/2000380.cif $ #-------------------------------------------------------------------...
2,000,381
6.737
0.001
7.803
0.007
10.444
0.001
94.747
0.008
108.3
0.01
97.43
0.01
512.4
0.5
null
null
null
null
null
null
null
null
4
P -1
-P 1
2
- C16 H16 N6 O12 -
- C16 H16 N6 O12 -
- C16 H16 N6 O12 -
1
0.5
AB0269
Nethaji, M.; Pattabhi, V.; Chhabra, N.; Poonia, N. S.
Structure of ethylenediammonium 3,5-dinitrobenzoate
Acta Crystallographica Section C
1,992
48
12
2207
2209
10.1107/S0108270192004190
0.7107
Mo
null
null
null
null
null
null
null
null
null
null
null
null
null
null
has coordinates
Nethaji, M.; Pattabhi, V.; Chhabra, N.; Poonia, N. S. Structure of ethylenediammonium 3,5-dinitrobenzoate Acta Crystallographica Section C 48(12) (1992) 2207-2209
296,843
2024-12-11
14:15:26
#------------------------------------------------------------------------------ #$Date: 2024-12-11 16:15:11 +0200 (Wed, 11 Dec 2024) $ #$Revision: 296843 $ #$URL: file:///home/coder/svn-repositories/_RELOADED_COD/cod-reloaded/cif/2/00/03/2000381.cif $ #-------------------------------------------------------------------...
7,205,868
17.401
0.013
12.226
0.008
5.324
0.004
90
null
106.19
0.011
90
null
1,087.7
1.4
293
2
293
2
null
null
null
null
5
C 1 2/c 1
-C 2yc
15
- Ba Gd K Mo3 O12 -
- Ba Gd K Mo3 O12 -
- Ba4 Gd4 K4 Mo12 O48 -
4
0.5
Meng, Xiangming; Lin, Zhoubin; Zhang, Lizhen; Huang, Yisheng; Wang, Guofu
Structure and spectral properties of Nd3±doped KBaGd(MoO4)3 crystal with a disorder structure
CrystEngComm
2,011
13
12
4069
10.1039/c0ce00922a
0.71073
MoKα
0.0203
0.019
null
null
0.0468
0.0474
null
null
null
null
null
1.064
null
null
has coordinates
Meng, Xiangming; Lin, Zhoubin; Zhang, Lizhen; Huang, Yisheng; Wang, Guofu Structure and spectral properties of Nd3±doped KBaGd(MoO4)3 crystal with a disorder structure CrystEngComm 13(12) (2011) 4069
180,389
2020-10-21
18:00:00
#------------------------------------------------------------------------------ #$Date: 2016-03-26 17:21:16 +0200 (Sat, 26 Mar 2016) $ #$Revision: 180389 $ #$URL: file:///home/coder/svn-repositories/_RELOADED_COD/cod-reloaded/cif/7/20/58/7205868.cif $ #-------------------------------------------------------------------...
2,000,382
11.455
0.003
12.401
0.004
12.549
0.003
72.64
0.02
64.2
0.02
62.74
0.02
1,415.7
0.8
null
null
null
null
null
null
null
null
7
P -1
-P 1
2
- C10 H30 B2 F8 O7 S5 U -
- C5 H15 B F4 O3.5 S2.5 U0.5 -
- C20 H60 B4 F16 O14 S10 U2 -
4
2
DU0328
Deshayes, L.; Keller, N.; Lance, M.; Nierlich, M.; Vigner, D.
Structure of pentakis(dimethyl sulfoxide)dioxouranium(VI) bis(tetrafluoroborate)
Acta Crystallographica Section C
1,992
48
12
2209
2211
10.1107/S0108270192003536
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. Structure of pentakis(dimethyl sulfoxide)dioxouranium(VI) bis(tetrafluoroborate) Acta Crystallographica Section C 48(12) (1992) 2209-2211
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/2/00/03/2000382.cif $ #-------------------------------------------------------------------...
2,000,383
10.9026
0.0007
19.614
0.001
16.8211
0.0009
90
null
94.512
0.005
90
null
3,585.9
0.4
null
null
null
null
null
null
null
null
6
P 1 21 1
null
- C39 H33 N O4 S2 Sn -
- C39 H28 N O4 S2 Sn -
- C156 H112 N4 O16 S8 Sn4 -
4
2
AS0550
Ng, S. W.; Chen, W.; Kumar Das, V. G.
Structure of the dibenzyl sulfoxide adduct of <i>N</i>-triphenylstannyl-1,2-benzisothiazol-3(2<i>H</i>)-one 1,1-dioxide
Acta Crystallographica Section C
1,992
48
12
2211
2213
10.1107/S0108270192003299
0.71073
Mo
null
null
null
null
null
null
null
null
null
null
null
null
null
null
has coordinates
Ng, S. W.; Chen, W.; Kumar Das, V. G. Structure of the dibenzyl sulfoxide adduct of <i>N</i>-triphenylstannyl-1,2-benzisothiazol-3(2<i>H</i>)-one 1,1-dioxide Acta Crystallographica Section C 48(12) (1992) 2211-2213
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/2/00/03/2000383.cif $ #-------------------------------------------------------------------...
2,000,384
7.736
0.001
10.406
0.002
12.111
0.003
111
0.01
104.07
0.01
90.65
0.01
877.6
0.3
null
null
null
null
null
null
null
null
6
P -1
-P 1
2
- C40 H38 N2 O2 P2 Pt -
- C40 H38 N2 O2 P2 Pt -
- C40 H38 N2 O2 P2 Pt -
1
0.5
CR0418
Staples, R. J.; Khan, Md. N. I.; Wang, S.; Fackler, Jnr, J. P.
Structure of <i>trans</i>-dicyanobis(triphenylphosphine)platinum(II) dimethanol solvate
Acta Crystallographica Section C
1,992
48
12
2213
2215
10.1107/S0108270192003512
0.7103
MoKα
null
null
null
null
null
null
null
null
null
null
null
null
null
null
has coordinates
Staples, R. J.; Khan, Md. N. I.; Wang, S.; Fackler, Jnr, J. P. Structure of <i>trans</i>-dicyanobis(triphenylphosphine)platinum(II) dimethanol solvate Acta Crystallographica Section C 48(12) (1992) 2213-2215
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/2/00/03/2000384.cif $ #-------------------------------------------------------------------...
2,000,385
17.488
0.003
22.287
0.004
22.811
0.003
90
null
90
null
90
null
8,891
2
null
null
null
null
null
null
null
null
7
P b c a
-P 2ac 2ab
null
- C36 H46 Cd Cl2 N4 O9 S4 -
- C36 H46 Cd Cl2 N4 O9 S4 -
- C288 H368 Cd8 Cl16 N32 O72 S32 -
8
1
BX0581
Castiñeiras, A.; Gómez, M. C.; Hiller, W.
Structure of tetrakis(<i>N</i>,<i>N</i>-dimethylbenzenecarbothioamide-<i>S</i>)cadmium(II) diperchlorate monohydrate
Acta Crystallographica Section C
1,992
48
12
2215
2218
10.1107/S0108270192004359
0.7093
Mo
null
null
null
null
null
null
null
null
null
null
null
null
null
null
has coordinates
Castiñeiras, A.; Gómez, M. C.; Hiller, W. Structure of tetrakis(<i>N</i>,<i>N</i>-dimethylbenzenecarbothioamide-<i>S</i>)cadmium(II) diperchlorate monohydrate Acta Crystallographica Section C 48(12) (1992) 2215-2218
194,525
2020-10-21
18:00:00
#------------------------------------------------------------------------------ #$Date: 2017-03-25 20:34:45 +0200 (Sat, 25 Mar 2017) $ #$Revision: 194525 $ #$URL: file:///home/coder/svn-repositories/_RELOADED_COD/cod-reloaded/cif/2/00/03/2000385.cif $ #-------------------------------------------------------------------...
7,205,867
7.55
0.002
9.951
0.004
14.564
0.005
92.128
0.016
92.46
0.013
109.383
0.015
1,029.7
0.6
200
null
200
null
null
null
null
null
6
P -1
-P 1
2
- C20 H14 Ag N6 O10 Yb -
- C20 H14 Ag N6 O10 Yb -
- C40 H28 Ag2 N12 O20 Yb2 -
2
1
Chen, Min; Chen, Man-Sheng; Okamura, Taka-aki; Lv, Mei-Fang; Sun, Wei-Yin; Ueyama, Norikazu
A series of silver(i)‒lanthanide(iii) heterometallic coordination polymers: syntheses, structures and photoluminescent properties
CrystEngComm
2,011
13
11
3801
10.1039/c0ce00921k
0.71075
MoKα
0.0226
0.0214
null
null
0.0521
0.0524
null
null
null
null
null
1.133
null
null
has coordinates
Chen, Min; Chen, Man-Sheng; Okamura, Taka-aki; Lv, Mei-Fang; Sun, Wei-Yin; Ueyama, Norikazu A series of silver(i)‒lanthanide(iii) heterometallic coordination polymers: syntheses, structures and photoluminescent properties CrystEngComm 13(11) (2011) 3801
180,389
2020-10-21
18:00:00
#------------------------------------------------------------------------------ #$Date: 2016-03-26 17:21:16 +0200 (Sat, 26 Mar 2016) $ #$Revision: 180389 $ #$URL: file:///home/coder/svn-repositories/_RELOADED_COD/cod-reloaded/cif/7/20/58/7205867.cif $ #-------------------------------------------------------------------...
2,000,386
14.6
0.01
16.28
0.01
17.13
0.01
70.2
0.05
69.07
0.06
63.68
0.06
3,329
4
null
null
null
null
null
null
null
null
7
P -1
-P 1
2
- C72 H60 Br2 Cu Li O4 P4 -
- C72 H60 Br2 Cu Li O4 P4 -
- C144 H120 Br4 Cu2 Li2 O8 P8 -
2
1
CR0305
Fackler, Jnr, J. P.; López, C. A.; Winpenny, R. E. P.
Structure of tetrakis(triphenylphosphine oxide)lithium dibromocuprate(I)
Acta Crystallographica Section C
1,992
48
12
2218
2220
10.1107/S0108270192004396
0.71073
Mo
null
null
null
null
null
null
null
null
null
null
null
null
null
null
has coordinates
Fackler, Jnr, J. P.; López, C. A.; Winpenny, R. E. P. Structure of tetrakis(triphenylphosphine oxide)lithium dibromocuprate(I) Acta Crystallographica Section C 48(12) (1992) 2218-2220
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/2/00/03/2000386.cif $ #-------------------------------------------------------------------...
2,000,387
26.296
0.003
12.304
0.004
19.061
0.002
90
null
103.63
0.02
90
null
5,993
2
null
null
null
null
null
null
null
null
6
P 1 21/a 1
-P 2yab
14
- C71 H67 B Fe O2 P4 -
- C47 H47 Fe O2 P4 -
- C188 H188 Fe4 O8 P16 -
4
1
LI1002
Linn, K.; Masi, D.; Mealli, C.; Bianchini, C.; Peruzzini, M.
Structure of (4-pentynoato-<i>O</i>,<i>O</i>'){tris[2-(diphenylphosphino)ethyl]phosphine}iron(II) tetraphenylborate
Acta Crystallographica Section C
1,992
48
12
2220
2222
10.1107/S0108270192004554
1.5418
Cu
null
null
null
null
null
null
null
null
null
null
null
null
null
null
has coordinates
Linn, K.; Masi, D.; Mealli, C.; Bianchini, C.; Peruzzini, M. Structure of (4-pentynoato-<i>O</i>,<i>O</i>'){tris[2-(diphenylphosphino)ethyl]phosphine}iron(II) tetraphenylborate Acta Crystallographica Section C 48(12) (1992) 2220-2222
208,452
2020-10-21
18:00:00
#------------------------------------------------------------------------------ #$Date: 2018-06-17 09:03:28 +0300 (Sun, 17 Jun 2018) $ #$Revision: 208452 $ #$URL: file:///home/coder/svn-repositories/_RELOADED_COD/cod-reloaded/cif/2/00/03/2000387.cif $ #-------------------------------------------------------------------...
2,000,388
8.896
0.003
11.006
0.003
17.31
0.006
90
null
90
null
90
null
1,694.8
0.9
null
null
null
null
null
null
null
null
4
P 21 21 21
P 2ac 2ab
19
- C19 H22 O Si -
- C19 H22 O Si -
- C76 H88 O4 Si4 -
4
1
GR0200
Barnes, C. L.; Soderquist, J. A.
<i>cis</i>-1,1-Dimethyl-2,6-diphenyl-1-silacyclohexan-4-one
Acta Crystallographica Section C
1,992
48
12
2222
2224
10.1107/S0108270192002828
0.71073
Mo
null
null
null
null
null
null
null
null
null
null
null
null
null
null
has coordinates
Barnes, C. L.; Soderquist, J. A. <i>cis</i>-1,1-Dimethyl-2,6-diphenyl-1-silacyclohexan-4-one Acta Crystallographica Section C 48(12) (1992) 2222-2224
301,791
2025-08-18
23:14:59
#------------------------------------------------------------------------------ #$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/2/00/03/2000388.cif $ #-------------------------------------------------------------------...
2,000,389
6.1917
0.0008
7.1417
0.0006
9.9643
0.0008
81.822
0.007
84.638
0.008
78.682
0.009
426.68
0.08
null
null
null
null
null
null
null
null
4
P -1
-P 1
2
- C8 H8 N4 S -
- C8 H8 N4 S -
- C16 H16 N8 S2 -
2
1
AS0566
Ng, S. W.
Structure of 4-amino-5-phenyl-4<i>H</i>-1,2,4-triazole-3-thione
Acta Crystallographica Section C
1,992
48
12
2224
2225
10.1107/S0108270192003305
0.71073
Mo
null
null
null
null
null
null
null
null
null
null
null
null
null
null
has coordinates
Ng, S. W. Structure of 4-amino-5-phenyl-4<i>H</i>-1,2,4-triazole-3-thione Acta Crystallographica Section C 48(12) (1992) 2224-2225
301,791
2025-08-18
23:14:59
#------------------------------------------------------------------------------ #$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/2/00/03/2000389.cif $ #-------------------------------------------------------------------...
2,000,390
7.4946
0.001
13.437
0.002
10.863
0.0008
90
null
90
null
90
null
1,094
0.2
null
null
null
null
null
null
null
null
3
P n a 21
null
- C13 H12 O3 -
- C13 H12 O3 -
- C52 H48 O12 -
4
1
ST0581
Prince, P.; Fronczek, F. R.; Gandour, R. D.
1-Acetyl-7-methoxy-2-naphthol
Acta Crystallographica Section C
1,992
48
12
2225
2227
10.1107/S0108270192003287
1.54184
Cu
null
null
null
null
null
null
null
null
null
null
null
null
null
null
has coordinates
Prince, P.; Fronczek, F. R.; Gandour, R. D. 1-Acetyl-7-methoxy-2-naphthol Acta Crystallographica Section C 48(12) (1992) 2225-2227
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/2/00/03/2000390.cif $ #-------------------------------------------------------------------...
2,000,391
7.189
0.001
10.141
0.002
11.302
0.002
90
null
90
null
90
null
824
0.2
null
null
null
null
null
null
null
null
4
P 21 21 21
P 2ac 2ab
null
- C10 H8 N2 O -
- C10 H8 N2 O -
- C40 H32 N8 O4 -
4
1
LI1001
Leban, I.; Polanc, S.
Structure of 2-phenylpyrimidinium 1-oxide
Acta Crystallographica Section C
1,992
48
12
2227
2229
10.1107/S0108270192003391
0.71069
Mo
null
null
null
null
null
null
null
null
null
null
null
null
null
null
has coordinates
Leban, I.; Polanc, S. Structure of 2-phenylpyrimidinium 1-oxide Acta Crystallographica Section C 48(12) (1992) 2227-2229
301,791
2025-08-18
23:14:59
#------------------------------------------------------------------------------ #$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/2/00/03/2000391.cif $ #-------------------------------------------------------------------...
7,205,866
7.58
0.002
9.975
0.003
14.591
0.006
92.161
0.014
92.42
0.013
109.51
0.012
1,037.4
0.6
200
null
200
null
null
null
null
null
6
P -1
-P 1
2
- C20 H14 Ag Er N6 O10 -
- C20 H14 Ag Er N6 O10 -
- C40 H28 Ag2 Er2 N12 O20 -
2
1
Chen, Min; Chen, Man-Sheng; Okamura, Taka-aki; Lv, Mei-Fang; Sun, Wei-Yin; Ueyama, Norikazu
A series of silver(i)‒lanthanide(iii) heterometallic coordination polymers: syntheses, structures and photoluminescent properties
CrystEngComm
2,011
13
11
3801
10.1039/c0ce00921k
0.71075
MoKα
0.0205
0.0192
null
null
0.0474
0.0477
null
null
null
null
null
1.159
null
null
has coordinates
Chen, Min; Chen, Man-Sheng; Okamura, Taka-aki; Lv, Mei-Fang; Sun, Wei-Yin; Ueyama, Norikazu A series of silver(i)‒lanthanide(iii) heterometallic coordination polymers: syntheses, structures and photoluminescent properties CrystEngComm 13(11) (2011) 3801
180,389
2020-10-21
18:00:00
#------------------------------------------------------------------------------ #$Date: 2016-03-26 17:21:16 +0200 (Sat, 26 Mar 2016) $ #$Revision: 180389 $ #$URL: file:///home/coder/svn-repositories/_RELOADED_COD/cod-reloaded/cif/7/20/58/7205866.cif $ #-------------------------------------------------------------------...
2,000,392
12.488
0.005
10.372
0.005
8.335
0.005
84.95
0.05
108.74
0.05
98.51
0.05
1,010.2
0.9
null
null
null
null
null
null
null
null
4
P 1
P 1
1
- C20 H19 O3.5 S3 -
- C20 H19 O3.5 S3 -
- C40 H38 O7 S6 -
2
2
GE0310
Dillen, J. L. M.; Roos, H. M.
Structure of tris(5-acetyl-3-thienyl)methane-ethanol (2/1) inclusion compound
Acta Crystallographica Section C
1,992
48
12
2229
2231
10.1107/S0108270192003202
0.7107
Mo
null
null
null
null
null
null
null
null
null
null
null
null
null
null
has coordinates
Dillen, J. L. M.; Roos, H. M. Structure of tris(5-acetyl-3-thienyl)methane-ethanol (2/1) inclusion compound Acta Crystallographica Section C 48(12) (1992) 2229-2231
277,834
2022-09-14
16:39:42
#------------------------------------------------------------------------------ #$Date: 2022-09-14 19:38:48 +0300 (Wed, 14 Sep 2022) $ #$Revision: 277834 $ #$URL: file:///home/coder/svn-repositories/_RELOADED_COD/cod-reloaded/cif/2/00/03/2000392.cif $ #-------------------------------------------------------------------...
2,000,393
8.697
0.002
12.741
0.003
12.94
0.002
90
null
103.39
0.02
90
null
1,394.9
0.5
null
null
null
null
null
null
null
null
5
P 1 21/c 1
-P 2ybc
14
2-Hydroxy-4,4-dimethyl-2-(4-tolyl)-morpholinium bromide
- C13 H20 Br N O2 -
- C13 H20 Br N O2 -
- C52 H80 Br4 N4 O8 -
4
1
HH0601
Garcia, J. G.; Fronczek, F. R.; Gandour, R. D.
2-Hydroxy-4,4-dimethyl-2-(4-tolyl)-morpholinium bromide
Acta Crystallographica Section C
1,992
48
12
2231
2233
10.1107/S0108270192003913
0.71073
Mo
null
null
null
null
null
null
null
null
null
null
null
null
null
null
has coordinates
Garcia, J. G.; Fronczek, F. R.; Gandour, R. D. 2-Hydroxy-4,4-dimethyl-2-(4-tolyl)-morpholinium bromide Acta Crystallographica Section C 48(12) (1992) 2231-2233
301,791
2025-08-18
23:14:59
#------------------------------------------------------------------------------ #$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/2/00/03/2000393.cif $ #-------------------------------------------------------------------...
2,000,394
14.766
0.003
5.604
0.002
15.897
0.003
90
null
97.34
0.02
90
null
1,304.7
0.6
null
null
null
null
null
null
null
null
3
P 1 21/n 1
-P 2yn
14
1,4-bis(dibenzylamino)benzene
- C34 H32 N2 -
- C34 H32 N2 -
- C68 H64 N4 -
2
0.5
BX0575
Rickert, C.; Pirotta, M.; Müller, T.
Structure of 1,4-bis(dibenzylamino)benzene
Acta Crystallographica Section C
1,992
48
12
2233
2235
10.1107/S0108270192004347
0.71069
Mo
null
null
null
null
null
null
null
null
null
null
null
null
null
null
has coordinates
Rickert, C.; Pirotta, M.; Müller, T. Structure of 1,4-bis(dibenzylamino)benzene Acta Crystallographica Section C 48(12) (1992) 2233-2235
301,791
2025-08-18
23:14:59
#------------------------------------------------------------------------------ #$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/2/00/03/2000394.cif $ #-------------------------------------------------------------------...
2,000,395
11.738
0.008
12.879
0.01
11.027
0.005
111.89
0.05
110.28
0.1
91.19
0.07
1,429
2
null
null
null
null
null
null
null
null
5
P -1
-P 1
2
- C37 H28 Cl N O4 -
- C37 H28 Cl N O8 -
- C74 H56 Cl2 N2 O16 -
2
1
AB0257
Anulewicz, R.; Woźniak, K.; Soroka, J. A.
(±)-7,10,12-Triphenyl-7,8-dihydroacenaphtho[4,5-<i>c</i>]quinolizinium perchlorate
Acta Crystallographica Section C
1,992
48
12
2238
2240
10.1107/S0108270192002841
0.71069
Mo
null
null
null
null
null
null
null
null
null
null
null
null
null
null
has coordinates
Anulewicz, R.; Woźniak, K.; Soroka, J. A. (±)-7,10,12-Triphenyl-7,8-dihydroacenaphtho[4,5-<i>c</i>]quinolizinium perchlorate Acta Crystallographica Section C 48(12) (1992) 2238-2240
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/2/00/03/2000395.cif $ #-------------------------------------------------------------------...
2,000,396
7.23
0.002
7.702
0.001
42.42
0.005
90
null
90
null
90
null
2,362.2
0.8
null
null
null
null
null
null
null
null
3
P 21 21 21
P 2ac 2ab
19
4,4'-(tetrahydro-1-hydroxy-1H,3H-furo[3,4-c]furan-1,4-diyl)bis(2-methoxyphenyl) diacetate monohydrate
- C24 H28 O10 -
- C24 H28 O10 -
- C96 H112 O40 -
4
1
HH0597
Macías, F. A.; Zubía, E.; Quijano, L.; Fronczek, F. R.; Fischer, N. H.
Structures of three tetrahydrofurofurane-type lignanes
Acta Crystallographica Section C
1,992
48
12
2240
2244
10.1107/S0108270192003901
1.54184
Cu
null
null
null
null
null
null
null
null
null
null
null
null
null
null
has coordinates
Macías, F. A.; Zubía, E.; Quijano, L.; Fronczek, F. R.; Fischer, N. H. Structures of three tetrahydrofurofurane-type lignanes Acta Crystallographica Section C 48(12) (1992) 2240-2244
301,791
2025-08-18
23:14:59
#------------------------------------------------------------------------------ #$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/2/00/03/2000396.cif $ #-------------------------------------------------------------------...
2,000,397
5.5333
0.0005
12.552
0.0007
31.723
0.002
90
null
90
null
90
null
2,203.3
0.3
null
null
null
null
null
null
null
null
3
P 21 21 21
P 2ac 2ab
19
tetrahydro-1,4-bis(3,4,5-trimethoxyphenyl)-1H,3H-furo[3,4-c]furan
- C24 H30 O8 -
- C24 H30 O8 -
- C96 H120 O32 -
4
1
HH0597
Macías, F. A.; Zubía, E.; Quijano, L.; Fronczek, F. R.; Fischer, N. H.
Structures of three tetrahydrofurofurane-type lignanes
Acta Crystallographica Section C
1,992
48
12
2240
2244
10.1107/S0108270192003901
1.54184
Cu
null
null
null
null
null
null
null
null
null
null
null
null
null
null
has coordinates
Macías, F. A.; Zubía, E.; Quijano, L.; Fronczek, F. R.; Fischer, N. H. Structures of three tetrahydrofurofurane-type lignanes Acta Crystallographica Section C 48(12) (1992) 2240-2244
301,791
2025-08-18
23:14:59
#------------------------------------------------------------------------------ #$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/2/00/03/2000397.cif $ #-------------------------------------------------------------------...
7,205,865
14.326
0.005
16.855
0.006
9.095
0.004
90
null
115.654
0.017
90
null
1,979.6
1.3
200
null
200
null
null
null
null
null
6
C 1 2/c 1
-C 2yc
15
- C20 H10 Ag N6 O8 Tb -
- C20 H10 Ag N6 O8 Tb -
- C80 H40 Ag4 N24 O32 Tb4 -
4
0.5
Chen, Min; Chen, Man-Sheng; Okamura, Taka-aki; Lv, Mei-Fang; Sun, Wei-Yin; Ueyama, Norikazu
A series of silver(i)‒lanthanide(iii) heterometallic coordination polymers: syntheses, structures and photoluminescent properties
CrystEngComm
2,011
13
11
3801
10.1039/c0ce00921k
0.71075
MoKα
0.0204
0.02
null
null
0.0492
0.0494
null
null
null
null
null
1.1
null
null
has coordinates
Chen, Min; Chen, Man-Sheng; Okamura, Taka-aki; Lv, Mei-Fang; Sun, Wei-Yin; Ueyama, Norikazu A series of silver(i)‒lanthanide(iii) heterometallic coordination polymers: syntheses, structures and photoluminescent properties CrystEngComm 13(11) (2011) 3801
180,389
2020-10-21
18:00:00
#------------------------------------------------------------------------------ #$Date: 2016-03-26 17:21:16 +0200 (Sat, 26 Mar 2016) $ #$Revision: 180389 $ #$URL: file:///home/coder/svn-repositories/_RELOADED_COD/cod-reloaded/cif/7/20/58/7205865.cif $ #-------------------------------------------------------------------...
2,000,398
9.6127
0.001
5.6194
0.0004
15.66
0.002
90
null
103.687
0.008
90
null
821.89
0.15
null
null
null
null
null
null
null
null
3
P 1 21 1
P 2yb
4
5,5'-(tetrahydro-1H,3H-furo[3,4-c]furan-1,4-diyl)bis(1,3-benzodioxole)
- C20 H18 O6 -
- C20 H18 O6 -
- C40 H36 O12 -
2
1
HH0597
Macías, F. A.; Zubía, E.; Quijano, L.; Fronczek, F. R.; Fischer, N. H.
Structures of three tetrahydrofurofurane-type lignanes
Acta Crystallographica Section C
1,992
48
12
2240
2244
10.1107/S0108270192003901
1.54184
Cu
null
null
null
null
null
null
null
null
null
null
null
null
null
null
has coordinates
Macías, F. A.; Zubía, E.; Quijano, L.; Fronczek, F. R.; Fischer, N. H. Structures of three tetrahydrofurofurane-type lignanes Acta Crystallographica Section C 48(12) (1992) 2240-2244
301,791
2025-08-18
23:14:59
#------------------------------------------------------------------------------ #$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/2/00/03/2000398.cif $ #-------------------------------------------------------------------...
2,000,399
7.7157
0.001
27.019
0.003
7.6219
0.001
90
null
107.473
0.01
90
null
1,515.6
0.3
null
null
null
null
null
null
null
null
3
P 1 21/c 1
-P 2ybc
14
- C19 H18 O3 -
- C19 H18 O3 -
- C76 H72 O12 -
4
1
HA0105
Jones, P. G.
[4-(1-Hydroxyethyl)-5-phenanthryl]methyl acetate
Acta Crystallographica Section C
1,992
48
12
2244
2245
10.1107/S0108270192003615
0.71073
Mo
null
null
null
null
null
null
null
null
null
null
null
null
null
null
has coordinates
Jones, P. G. [4-(1-Hydroxyethyl)-5-phenanthryl]methyl acetate Acta Crystallographica Section C 48(12) (1992) 2244-2245
301,791
2025-08-18
23:14:59
#------------------------------------------------------------------------------ #$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/2/00/03/2000399.cif $ #-------------------------------------------------------------------...
2,000,400
15.6464
0.0012
23.027
0.003
6.932
0.0008
90
null
90
null
90
null
2,497.5
0.5
null
null
null
null
null
null
null
null
3
P 21 21 2
null
- C16 H16 O2 -
- C16 H15.5 O2 -
- C128 H124 O16 -
8
2
HA0104
Jones, P. G.
9,10-Dihydrophenanthrene-4,5-dimethanol
Acta Crystallographica Section C
1,992
48
12
2245
2247
10.1107/S0108270192003962
0.71069
Mo
null
null
null
null
null
null
null
null
null
null
null
null
null
null
has coordinates
Jones, P. G. 9,10-Dihydrophenanthrene-4,5-dimethanol Acta Crystallographica Section C 48(12) (1992) 2245-2247
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/2/00/04/2000400.cif $ #-------------------------------------------------------------------...
2,000,401
17.44
0.005
13.267
0.001
12.168
0.002
90
null
110.49
0.08
90
null
2,637.3
1.6
null
null
null
null
null
null
null
null
3
P 1 21 1
P 2yb
4
- C27 H40 O7 -
- C27 H40 O7 -
- C108 H160 O28 -
4
2
CR0399
Grochulski, P.; Wawrzak, Z.; Gałdecki, Z.; Duax, W. L.; Strong, P. D.
Structure of 5β-pregnane-3α,6α,17α-triol triacetate
Acta Crystallographica Section C
1,992
48
12
2247
2249
10.1107/S0108270192003494
1.5418
Cu
null
null
null
null
null
null
null
null
null
null
null
null
null
null
has coordinates
Grochulski, P.; Wawrzak, Z.; Gałdecki, Z.; Duax, W. L.; Strong, P. D. Structure of 5β-pregnane-3α,6α,17α-triol triacetate Acta Crystallographica Section C 48(12) (1992) 2247-2249
301,791
2025-08-18
23:14:59
#------------------------------------------------------------------------------ #$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/2/00/04/2000401.cif $ #-------------------------------------------------------------------...
2,000,402
7.569
0.001
9.308
0.001
18.502
0.002
90
null
90
null
90
null
1,303.5
0.3
null
null
null
null
null
null
null
null
3
P 21 21 21
P 2ac 2ab
19
- C16 H16 O2 -
- C16 H16 O2 -
- C64 H64 O8 -
4
1
HA0102
Tinant, B.; Declercq, J.-P.; Weiler, J.; Soumillon, J. P.; Motte, F.; Vanhulle, S.
(<i>Z</i>)-α,β-Dimethoxystilbene
Acta Crystallographica Section C
1,992
48
12
2250
2251
10.1107/S0108270192003950
1.5418
Cu
null
null
null
null
null
null
null
null
null
null
null
null
null
null
has coordinates
Tinant, B.; Declercq, J.-P.; Weiler, J.; Soumillon, J. P.; Motte, F.; Vanhulle, S. (<i>Z</i>)-α,β-Dimethoxystilbene Acta Crystallographica Section C 48(12) (1992) 2250-2251
301,791
2025-08-18
23:14:59
#------------------------------------------------------------------------------ #$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/2/00/04/2000402.cif $ #-------------------------------------------------------------------...
2,000,403
9.795
0.002
16.452
0.002
18.835
0.002
90
null
90
null
90
null
3,035.2
0.8
null
null
null
null
null
null
null
null
3
P 21 21 21
P 2ac 2ab
19
- C32 H50 O5 -
- C32 H50 O5 -
- C128 H200 O20 -
4
1
AB1003
Sekar, K.; Parthasarathy, S.; Kundu, A. B.; Barik, B. R.
Structure of dimethyl ceanothate
Acta Crystallographica Section C
1,992
48
12
2251
2253
10.1107/S0108270192004189
1.5418
CuKα
null
null
null
null
null
null
null
null
null
null
null
null
null
null
has coordinates
Sekar, K.; Parthasarathy, S.; Kundu, A. B.; Barik, B. R. Structure of dimethyl ceanothate Acta Crystallographica Section C 48(12) (1992) 2251-2253
208,466
2020-10-21
18:00:00
#------------------------------------------------------------------------------ #$Date: 2018-06-17 18:45:41 +0300 (Sun, 17 Jun 2018) $ #$Revision: 208466 $ #$URL: file:///home/coder/svn-repositories/_RELOADED_COD/cod-reloaded/cif/2/00/04/2000403.cif $ #-------------------------------------------------------------------...
7,205,864
14.358
0.005
16.949
0.006
9.127
0.003
90
null
115.676
0.015
90
null
2,001.8
1.2
200
null
200
null
null
null
null
null
6
C 1 2/c 1
-C 2yc
15
- C20 H10 Ag Eu N6 O8 -
- C20 H10 Ag Eu N6 O8 -
- C80 H40 Ag4 Eu4 N24 O32 -
4
0.5
Chen, Min; Chen, Man-Sheng; Okamura, Taka-aki; Lv, Mei-Fang; Sun, Wei-Yin; Ueyama, Norikazu
A series of silver(i)‒lanthanide(iii) heterometallic coordination polymers: syntheses, structures and photoluminescent properties
CrystEngComm
2,011
13
11
3801
10.1039/c0ce00921k
0.71075
MoKα
0.0168
0.0162
null
null
0.0404
0.0406
null
null
null
null
null
1.144
null
null
has coordinates
Chen, Min; Chen, Man-Sheng; Okamura, Taka-aki; Lv, Mei-Fang; Sun, Wei-Yin; Ueyama, Norikazu A series of silver(i)‒lanthanide(iii) heterometallic coordination polymers: syntheses, structures and photoluminescent properties CrystEngComm 13(11) (2011) 3801
176,453
2020-10-21
18:00:00
#------------------------------------------------------------------------------ #$Date: 2016-02-16 03:10:39 +0200 (Tue, 16 Feb 2016) $ #$Revision: 176453 $ #$URL: file:///home/coder/svn-repositories/_RELOADED_COD/cod-reloaded/cif/7/20/58/7205864.cif $ #-------------------------------------------------------------------...
2,000,404
8.075
0.002
7.306
0.001
7.533
0.002
90
null
96.65
0.02
90
null
441.43
0.17
298
null
null
null
null
null
null
null
5
P 1 21/c 1
-P 2ybc
null
- H2 K N O3 Se -
- H2 K N O3 Se -
- H8 K4 N4 O12 Se4 -
4
1
KA1009
Žák, Z.; R°užička, A.
Structure of potassium amidoselenate K^+^.SeO~3~NH~2~^{-^}
Acta Crystallographica Section C
1,992
48
12
2254
2255
10.1107/S0108270192007844
0.71069
MoKα
0.065
0.035
null
0.064
0.059
null
null
null
null
1.3
1.3
null
null
null
has coordinates
Žák, Z.; R°užička, A. Structure of potassium amidoselenate K^+^.SeO~3~NH~2~^{-^} Acta Crystallographica Section C 48(12) (1992) 2254-2255
281,832
2023-03-13
7:37:02
#------------------------------------------------------------------------------ #$Date: 2023-03-13 09:35:08 +0200 (Mon, 13 Mar 2023) $ #$Revision: 281832 $ #$URL: file:///home/coder/svn-repositories/_RELOADED_COD/cod-reloaded/cif/2/00/04/2000404.cif $ #-------------------------------------------------------------------...
2,000,405
7.002
0.001
9.253
0.002
14.869
0.003
90
null
104.83
0.01
90
null
931.3
0.3
293
null
null
null
null
null
null
null
3
P 1 21/c 1
-P 2ybc
null
- C20 H20 O8 -
- C20 H20 O8 -
- C40 H40 O16 -
2
0.5
NA1008
Centore, R.; Ciajolo, M. R.; Tuzi, A.
Structure of 4,4'-[2,6-naphthylenebis(oxycarbonyl)]dibutyric acid
Acta Crystallographica Section C
1,992
48
12
2255
2257
10.1107/S0108270192007716
1.54178
CuKα
null
0.054
null
null
0.065
null
null
null
null
2.904
2.904
null
null
null
has coordinates
Centore, R.; Ciajolo, M. R.; Tuzi, A. Structure of 4,4'-[2,6-naphthylenebis(oxycarbonyl)]dibutyric acid Acta Crystallographica Section C 48(12) (1992) 2255-2257
301,791
2025-08-18
23:14:59
#------------------------------------------------------------------------------ #$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/2/00/04/2000405.cif $ #-------------------------------------------------------------------...
2,000,406
22.521
0.006
10.809
0.003
9.509
0.002
90
null
90
null
90
null
2,314.8
1
298
null
null
null
null
null
null
null
4
P b c n
-P 2n 2ab
null
- C14 H13 N O2 -
- C14 H13 N O2 -
- C112 H104 N8 O16 -
8
1
LI1009
Yeap, G.-Y.; Fun, H.-K.; Teoh, S.-G.; Teo, S.-B.; Chinnakali, K.; Yip, B.-C.
Structure of 4-[(4-methoxyphenylimino)methyl]phenol
Acta Crystallographica Section C
1,992
48
12
2257
2258
10.1107/S0108270192008035
0.71069
MoKα
null
0.0454
null
null
0.0493
null
null
null
null
1
1
null
null
null
has coordinates
Yeap, G.-Y.; Fun, H.-K.; Teoh, S.-G.; Teo, S.-B.; Chinnakali, K.; Yip, B.-C. Structure of 4-[(4-methoxyphenylimino)methyl]phenol Acta Crystallographica Section C 48(12) (1992) 2257-2258
301,791
2025-08-18
23:14:59
#------------------------------------------------------------------------------ #$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/2/00/04/2000406.cif $ #-------------------------------------------------------------------...
2,000,407
9.671
0.002
9.079
0.003
4.466
0.001
90
null
96.2
0.02
90
null
389.83
0.18
203
null
null
null
null
null
null
null
4
C 1 2/m 1
-C 2y
null
- C4 H4 I2 N2 -
- C4 H4 I2 N2 -
- C8 H8 I4 N4 -
2
0.25
ST1008
Bailey, R. D.; Buchanan, M. L.; Pennington, W. T.
Molecular complexes of 1,4-diazines with iodine
Acta Crystallographica Section C
1,992
48
12
2259
2262
10.1107/S0108270192007662
0.71073
MoKα
null
0.0472
null
null
0.0519
null
null
null
null
1.19
1.19
null
null
null
has coordinates
Bailey, R. D.; Buchanan, M. L.; Pennington, W. T. Molecular complexes of 1,4-diazines with iodine Acta Crystallographica Section C 48(12) (1992) 2259-2262
301,791
2025-08-18
23:14:59
#------------------------------------------------------------------------------ #$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/2/00/04/2000407.cif $ #-------------------------------------------------------------------...
2,000,408
11.607
0.005
13.751
0.005
7.578
0.003
90
null
108.54
0.03
90
null
1,146.7
0.8
203
null
null
null
null
null
null
null
4
C 1 2/c 1
-C 2yc
null
- C8 H12 I2 N2 -
- C8 H12 I2 N2 -
- C32 H48 I8 N8 -
4
0.5
ST1008
Bailey, R. D.; Buchanan, M. L.; Pennington, W. T.
Molecular complexes of 1,4-diazines with iodine
Acta Crystallographica Section C
1,992
48
12
2259
2262
10.1107/S0108270192007662
0.71073
MoKα
null
0.0341
null
null
0.0471
null
null
null
null
1.93
1.93
null
null
null
has coordinates
Bailey, R. D.; Buchanan, M. L.; Pennington, W. T. Molecular complexes of 1,4-diazines with iodine Acta Crystallographica Section C 48(12) (1992) 2259-2262
301,791
2025-08-18
23:14:59
#------------------------------------------------------------------------------ #$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/2/00/04/2000408.cif $ #-------------------------------------------------------------------...
2,000,409
11.657
0.002
13.763
0.003
7.654
0.001
90
null
108.06
0.01
90
null
1,167.5
0.4
294
null
null
null
null
null
null
null
4
C 1 2/c 1
-C 2yc
null
- C8 H12 I2 N2 -
- C8 H12 I2 N2 -
- C32 H48 I8 N8 -
4
0.5
ST1008
Bailey, R. D.; Buchanan, M. L.; Pennington, W. T.
Molecular complexes of 1,4-diazines with iodine
Acta Crystallographica Section C
1,992
48
12
2259
2262
10.1107/S0108270192007662
0.071073
MoKα
null
0.0482
null
null
0.0754
null
null
null
null
1.51
1.51
null
null
null
has coordinates
Bailey, R. D.; Buchanan, M. L.; Pennington, W. T. Molecular complexes of 1,4-diazines with iodine Acta Crystallographica Section C 48(12) (1992) 2259-2262
301,791
2025-08-18
23:14:59
#------------------------------------------------------------------------------ #$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/2/00/04/2000409.cif $ #-------------------------------------------------------------------...
7,205,863
14.4621
0.001
17.0741
0.0011
9.1373
0.0006
90
null
115.425
0.001
90
null
2,037.7
0.2
293
2
293
2
null
null
null
null
6
C 1 2/c 1
-C 2yc
15
- C20 H10 Ag N6 Nd O8 -
- C20 H10 Ag N6 Nd O8 -
- C80 H40 Ag4 N24 Nd4 O32 -
4
0.5
Chen, Min; Chen, Man-Sheng; Okamura, Taka-aki; Lv, Mei-Fang; Sun, Wei-Yin; Ueyama, Norikazu
A series of silver(i)‒lanthanide(iii) heterometallic coordination polymers: syntheses, structures and photoluminescent properties
CrystEngComm
2,011
13
11
3801
10.1039/c0ce00921k
0.71073
MoKα
0.0282
0.0273
null
null
0.0789
0.0798
null
null
null
null
null
1.011
null
null
has coordinates
Chen, Min; Chen, Man-Sheng; Okamura, Taka-aki; Lv, Mei-Fang; Sun, Wei-Yin; Ueyama, Norikazu A series of silver(i)‒lanthanide(iii) heterometallic coordination polymers: syntheses, structures and photoluminescent properties CrystEngComm 13(11) (2011) 3801
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/7/20/58/7205863.cif $ #-------------------------------------------------------------------...
2,000,410
6.5779
0.0015
15.565
0.0013
19.217
0.002
90
null
90
null
90
null
1,967.5
0.5
293
null
293
null
null
null
null
null
4
P c a b
-P 2bc 2ac
61
Bis(5-chloro-2-hydroxy-1,3-xylyl)-18-crown-4
- C20 H22 Cl2 O6 -
- C20 H22 Cl2 O6 -
- C80 H88 Cl8 O24 -
4
0.5
LI1019
Ferguson, G.; Ruhl, B. L.; McKervey, M. A.; Browne, C. M.
Bis(5-chloro-2-hydroxy-1,3-xylyl)-18-crown-4
Acta Crystallographica Section C
1,992
48
12
2262
2264
10.1107/S0108270192007832
0.7093
MolybdenumKα
null
0.0427
null
null
0.0373
null
null
null
null
1.09
1.09
null
null
null
has coordinates
Ferguson, G.; Ruhl, B. L.; McKervey, M. A.; Browne, C. M. Bis(5-chloro-2-hydroxy-1,3-xylyl)-18-crown-4 Acta Crystallographica Section C 48(12) (1992) 2262-2264
301,791
2025-08-18
23:14:59
#------------------------------------------------------------------------------ #$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/2/00/04/2000410.cif $ #-------------------------------------------------------------------...
2,000,411
7.799
0.003
30.488
0.009
8.046
0.002
90
null
119.21
null
90
null
1,669.9
0.9
296
null
null
null
null
null
null
null
4
P 1 21/c 1
-P 2ybc
null
- C18 H14 F6 O4 -
- C18 H14 F9 O4 -
- C72 H56 F36 O16 -
4
1
HA1015
Barlow, M. G.; Beagley, B.; Pritchard, R. G.; Tajammal, S.; Tipping, A. E.; Wright, A. P.
Structure of a (1:2) adduct of 1,1-[bis(3,3,3-trifluoropropynly)]ethyl acetate and furan
Acta Crystallographica Section C
1,992
48
12
2264
2266
10.1107/S010827019200845X
0.71069
MoKα
null
0.052
null
null
0.026
null
null
null
null
1.84
1.84
null
null
null
has coordinates
Barlow, M. G.; Beagley, B.; Pritchard, R. G.; Tajammal, S.; Tipping, A. E.; Wright, A. P. Structure of a (1:2) adduct of 1,1-[bis(3,3,3-trifluoropropynly)]ethyl acetate and furan Acta Crystallographica Section C 48(12) (1992) 2264-2266
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/2/00/04/2000411.cif $ #-------------------------------------------------------------------...
2,000,412
9.939
0.002
11.403
0.002
12.472
0.001
90
null
113.04
0.01
90
null
1,300.8
0.4
293
null
null
null
null
null
null
null
4
P 1 21/n 1
-P 2yn
14
- C8 H12 N2 S4 -
- C8 H12 N2 S4 -
- C32 H48 N8 S16 -
4
1
SH1007
Heinemann, F.; Dölling, W.; Hartung, H.
Structures of 1-cyano-2,2-bis(methylthio)vinyl <i>N</i>,<i>N</i>-dimethyldithiocarbamate (2) and 1,2,2-tris(methylthio)vinyl <i>N</i>,<i>N</i>-dimethyldithiocarbamate (3)
Acta Crystallographica Section C
1,992
48
12
2266
2268
10.1107/S0108270192007479
0.71073
MoKα
null
0.039
null
null
0.035
null
null
null
null
0.762
0.762
null
null
null
has coordinates
Heinemann, F.; Dölling, W.; Hartung, H. Structures of 1-cyano-2,2-bis(methylthio)vinyl <i>N</i>,<i>N</i>-dimethyldithiocarbamate (2) and 1,2,2-tris(methylthio)vinyl <i>N</i>,<i>N</i>-dimethyldithiocarbamate (3) Acta Crystallographica Section C 48(12) (1992) 2266-2268
301,791
2025-08-18
23:14:59
#------------------------------------------------------------------------------ #$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/2/00/04/2000412.cif $ #-------------------------------------------------------------------...
2,000,413
11.203
0.002
9.042
0.002
13.693
0.002
90
null
100.85
0.02
90
null
1,362.3
0.4
291
null
null
null
null
null
null
null
4
P 1 21/c 1
-P 2ybc
null
- C8 H15 N S5 -
- C8 H15 N S5 -
- C32 H60 N4 S20 -
4
1
SH1007
Heinemann, F.; Dölling, W.; Hartung, H.
Structures of 1-cyano-2,2-bis(methylthio)vinyl <i>N</i>,<i>N</i>-dimethyldithiocarbamate (2) and 1,2,2-tris(methylthio)vinyl <i>N</i>,<i>N</i>-dimethyldithiocarbamate (3)
Acta Crystallographica Section C
1,992
48
12
2266
2268
10.1107/S0108270192007479
1.54178
CuKα
null
0.052
null
null
0.058
null
null
null
null
5.26
5.26
null
null
null
has coordinates
Heinemann, F.; Dölling, W.; Hartung, H. Structures of 1-cyano-2,2-bis(methylthio)vinyl <i>N</i>,<i>N</i>-dimethyldithiocarbamate (2) and 1,2,2-tris(methylthio)vinyl <i>N</i>,<i>N</i>-dimethyldithiocarbamate (3) Acta Crystallographica Section C 48(12) (1992) 2266-2268
301,791
2025-08-18
23:14:59
#------------------------------------------------------------------------------ #$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/2/00/04/2000413.cif $ #-------------------------------------------------------------------...
7,205,862
6.755
0.003
12.104
0.004
14.524
0.005
79.526
0.013
77.666
0.014
80.439
0.015
1,130.7
0.7
200
null
200
null
null
null
null
null
6
P -1
-P 1
2
- C20 H18 Ag N6 O12 Tb -
- C20 H18 Ag N6 O12 Tb -
- C40 H36 Ag2 N12 O24 Tb2 -
2
1
Chen, Min; Chen, Man-Sheng; Okamura, Taka-aki; Lv, Mei-Fang; Sun, Wei-Yin; Ueyama, Norikazu
A series of silver(i)‒lanthanide(iii) heterometallic coordination polymers: syntheses, structures and photoluminescent properties
CrystEngComm
2,011
13
11
3801
10.1039/c0ce00921k
0.71075
MoKα
0.0262
0.022
null
null
0.0536
0.0543
null
null
null
null
null
1.088
null
null
has coordinates
Chen, Min; Chen, Man-Sheng; Okamura, Taka-aki; Lv, Mei-Fang; Sun, Wei-Yin; Ueyama, Norikazu A series of silver(i)‒lanthanide(iii) heterometallic coordination polymers: syntheses, structures and photoluminescent properties CrystEngComm 13(11) (2011) 3801
180,389
2020-10-21
18:00:00
#------------------------------------------------------------------------------ #$Date: 2016-03-26 17:21:16 +0200 (Sat, 26 Mar 2016) $ #$Revision: 180389 $ #$URL: file:///home/coder/svn-repositories/_RELOADED_COD/cod-reloaded/cif/7/20/58/7205862.cif $ #-------------------------------------------------------------------...
2,000,414
17.121
0.001
17.121
0.001
13.241
0.001
90
null
90
null
90
null
3,881.3
0.4
293
null
293
null
null
null
null
null
3
I 41/a :2
-I 4ad
88
tetra(2-pyridyl)pyrazine
2,3,4,6-tetra(2-pyridyl)pyrazine
- C24 H16 N6 -
- C24 H16 N6 -
- C192 H128 N48 -
8
0.5
AL1025
Greaves, B.; Stoeckli-Evans, H.
A tetragonal form of tetra(2-pyridyl)pyrazine (TPPZ)
Acta Crystallographica Section C
1,992
48
12
2269
2271
10.1107/S0108270192009387
0.71073
MolybdenumKα
0.053
0.053
null
0.072
0.072
null
null
null
null
1.07
1.07
null
null
null
has coordinates
Greaves, B.; Stoeckli-Evans, H. A tetragonal form of tetra(2-pyridyl)pyrazine (TPPZ) Acta Crystallographica Section C 48(12) (1992) 2269-2271
301,791
2025-08-18
23:14:59
#------------------------------------------------------------------------------ #$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/2/00/04/2000414.cif $ #-------------------------------------------------------------------...
2,000,415
7.315
0.001
7.941
0.002
21.393
0.004
90
null
90
null
90
null
1,242.7
0.4
295
null
295
null
null
null
null
null
5
P 21 21 21
P 2ac 2ab
19
1-(2,3-dihydro-1,4-benzodioxin-5-yl)piperazine hydrochloride
- C12 H17 Cl N2 O2 -
- C12 H17 Cl N2 O2 -
- C48 H68 Cl4 N8 O8 -
4
1
AB1011
Verdonk, M. L.; Kanters, J. A.; Kroon, J.
Structure of eltoprazine
Acta Crystallographica Section C
1,992
48
12
2271
2273
10.1107/S0108270192008904
0.71073
MoKα
null
0.069
null
null
0.063
null
null
null
null
1.41
1.41
null
null
null
has coordinates
Verdonk, M. L.; Kanters, J. A.; Kroon, J. Structure of eltoprazine Acta Crystallographica Section C 48(12) (1992) 2271-2273
301,791
2025-08-18
23:14:59
#------------------------------------------------------------------------------ #$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/2/00/04/2000415.cif $ #-------------------------------------------------------------------...
2,000,416
6.1749
0.0004
8.0494
0.0004
14.0057
0.0005
90
null
96.078
0.004
90
null
692.23
0.06
293
null
293
null
null
null
null
null
4
P 1 21 1
P 2yb
4
(1R,2R)-1,2-diphenyl-1,2-ethanediamine monohydrobromide
- C14 H17 Br N2 -
- C14 H17 Br N2 -
- C28 H34 Br2 N4 -
2
1
AB1027
Ferguson, G.; Gallagher, J. F.; Fullwood, R.; Parker, D.
(1<i>R</i>,2<i>R</i>)-1,2-Diphenyl-1,2-ethanediamine monohydrobromide
Acta Crystallographica Section C
1,992
48
12
2273
2275
10.1107/S0108270192008953
0.7093
MolybdenumKα
0.027
0.021
null
0.028
0.026
null
null
null
null
1.09
1.09
null
null
null
has coordinates
Ferguson, G.; Gallagher, J. F.; Fullwood, R.; Parker, D. (1<i>R</i>,2<i>R</i>)-1,2-Diphenyl-1,2-ethanediamine monohydrobromide Acta Crystallographica Section C 48(12) (1992) 2273-2275
301,791
2025-08-18
23:14:59
#------------------------------------------------------------------------------ #$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/2/00/04/2000416.cif $ #-------------------------------------------------------------------...
2,000,417
5.796
0.001
8.714
0.001
9.152
0.001
92.29
0.009
97.17
0.01
103.47
0.01
444.86
0.11
293
null
null
null
null
null
null
null
4
P -1
-P 1
2
- C16 H26 N2 S2 -
- C16 H26 N2 S2 -
- C16 H26 N2 S2 -
1
0.5
SH1010
Heinemann, F.; Hartung, H.; Hansen, J.; Maschmeier, C.-P.; Matschiner, H.
Structure of 3,6-bis(dimethylamino)-2,5-diisopropylthieno[3,2-<i>b</i>]thiophene
Acta Crystallographica Section C
1,992
48
12
2275
2277
10.1107/S0108270192008229
0.71073
MoKα
null
0.047
null
null
0.037
null
null
null
null
6.84
6.84
null
null
null
has coordinates
Heinemann, F.; Hartung, H.; Hansen, J.; Maschmeier, C.-P.; Matschiner, H. Structure of 3,6-bis(dimethylamino)-2,5-diisopropylthieno[3,2-<i>b</i>]thiophene Acta Crystallographica Section C 48(12) (1992) 2275-2277
301,791
2025-08-18
23:14:59
#------------------------------------------------------------------------------ #$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/2/00/04/2000417.cif $ #-------------------------------------------------------------------...
2,000,418
14.87
0.001
5.411
0.001
8.15
0.001
90
null
95.71
0.02
90
null
652.51
0.15
297
null
null
null
null
null
null
null
4
P 1 21 1
null
5'-O-acetyl-4'-cyano-2',3'-didehydro-2',3'-dideoxyuridine
- C12 H11 N3 O5 -
- C12 H11 N3 O5 -
- C24 H22 N6 O10 -
2
1
AS1021
Yamaguchi, K.; Haraguchi, K.; Tanaka, H.; Itoh, Y.; Miyasaka, T.
Structure of a 4'-<i>C</i>-branched 2',3'-didehydro-2',3'-dideoxyuridine
Acta Crystallographica Section C
1,992
48
12
2277
2278
10.1107/S0108270192009077
1.5405
CuKα~1~
null
0.047
null
null
0.046
null
null
null
null
3.04
3.04
null
null
null
has coordinates
Yamaguchi, K.; Haraguchi, K.; Tanaka, H.; Itoh, Y.; Miyasaka, T. Structure of a 4'-<i>C</i>-branched 2',3'-didehydro-2',3'-dideoxyuridine Acta Crystallographica Section C 48(12) (1992) 2277-2278
301,791
2025-08-18
23:14:59
#------------------------------------------------------------------------------ #$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/2/00/04/2000418.cif $ #-------------------------------------------------------------------...
2,000,419
5.2306
0.0004
8.5805
0.0009
16.79
0.001
90
null
91.01
0.01
90
null
753.4
0.1
null
null
null
null
null
null
null
null
4
P 1 21/c 1
-P 2ybc
14
- O10 P2 Pb V2 -
- O10 P2 Pb V2 -
- O40 P8 Pb4 V8 -
4
1
DU0336
Grandin, A.; Chardon, J.; Borel, M. M.; Leclaire, A.; Raveau, B.
Structure of PbV~2~P~2~O~10~
Acta Crystallographica Section C
1,992
48
11
1913
1915
10.1107/S0108270192002300
0.71073
Mo
null
null
null
null
null
null
null
null
null
null
null
null
1,001,534
null
has coordinates
Grandin, A.; Chardon, J.; Borel, M. M.; Leclaire, A.; Raveau, B. Structure of PbV~2~P~2~O~10~ Acta Crystallographica Section C 48(11) (1992) 1913-1915
287,519
2023-11-10
19:29:21
#------------------------------------------------------------------------------ #$Date: 2023-11-10 21:21:08 +0200 (Fri, 10 Nov 2023) $ #$Revision: 287519 $ #$URL: file:///home/coder/svn-repositories/_RELOADED_COD/cod-reloaded/cif/2/00/04/2000419.cif $ #-------------------------------------------------------------------...
7,205,861
6.77
0.003
12.168
0.006
14.601
0.007
79.594
0.017
77.637
0.017
80.502
0.018
1,145.5
0.9
200
null
200
null
null
null
null
null
6
P -1
-P 1
2
(EuAg(L01)2(H2O)4)
- C20 H18 Ag Eu N6 O12 -
- C20 H18 Ag Eu N6 O12 -
- C40 H36 Ag2 Eu2 N12 O24 -
2
1
Chen, Min; Chen, Man-Sheng; Okamura, Taka-aki; Lv, Mei-Fang; Sun, Wei-Yin; Ueyama, Norikazu
A series of silver(i)‒lanthanide(iii) heterometallic coordination polymers: syntheses, structures and photoluminescent properties
CrystEngComm
2,011
13
11
3801
10.1039/c0ce00921k
0.71075
MoKα
0.0309
0.0279
null
null
0.069
0.0699
null
null
null
null
null
1.087
null
null
has coordinates
Chen, Min; Chen, Man-Sheng; Okamura, Taka-aki; Lv, Mei-Fang; Sun, Wei-Yin; Ueyama, Norikazu A series of silver(i)‒lanthanide(iii) heterometallic coordination polymers: syntheses, structures and photoluminescent properties CrystEngComm 13(11) (2011) 3801
180,389
2020-10-21
18:00:00
#------------------------------------------------------------------------------ #$Date: 2016-03-26 17:21:16 +0200 (Sat, 26 Mar 2016) $ #$Revision: 180389 $ #$URL: file:///home/coder/svn-repositories/_RELOADED_COD/cod-reloaded/cif/7/20/58/7205861.cif $ #-------------------------------------------------------------------...
2,000,420
13.015
0.001
13.015
0.001
5.6637
0.0007
90
null
90
null
90
null
959.38
0.16
null
null
null
null
null
null
null
null
3
P 42/n :1
P 4n -1n
86
- La4 Mo2 O11 -
- La4 Mo2 O12 -
- La16 Mo8 O48 -
4
0.5
DU0314
Gall, P.; Gougeon, P.
Structure of La~4~Mo~2~O~11~ containing isolated Mo~2~O~10~ cluster units
Acta Crystallographica Section C
1,992
48
11
1915
1917
10.1107/S0108270192003214
0.71073
Mo
null
null
null
null
null
null
null
null
null
null
null
null
null
null
has coordinates
Gall, P.; Gougeon, P. Structure of La~4~Mo~2~O~11~ containing isolated Mo~2~O~10~ cluster units Acta Crystallographica Section C 48(11) (1992) 1915-1917
176,343
2020-10-21
18:00:00
#------------------------------------------------------------------------------ #$Date: 2016-02-11 02:03:02 +0200 (Thu, 11 Feb 2016) $ #$Revision: 176343 $ #$URL: file:///home/coder/svn-repositories/_RELOADED_COD/cod-reloaded/cif/2/00/04/2000420.cif $ #-------------------------------------------------------------------...
2,000,421
16.914
0.011
9.526
0.004
17.671
0.011
90
null
127.41
0.02
90
null
2,262
2
null
null
null
null
null
null
null
null
4
C 1 2/c 1
null
- Br9 K Re6 S5 -
- Br6 K Re6 S8 -
- Br24 K4 Re24 S32 -
4
0.5
DU0337
Slougui, A.; Perrin, A.; Sergent, M.
Structure of potassium hexarhenium nonabromide pentasulfide: KRe~6~S~5~Br~9~
Acta Crystallographica Section C
1,992
48
11
1917
1920
10.1107/S0108270192002919
0.71073
Mo
null
null
null
null
null
null
null
null
null
null
null
null
null
null
has coordinates
Slougui, A.; Perrin, A.; Sergent, M. Structure of potassium hexarhenium nonabromide pentasulfide: KRe~6~S~5~Br~9~ Acta Crystallographica Section C 48(11) (1992) 1917-1920
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/2/00/04/2000421.cif $ #-------------------------------------------------------------------...