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
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int64
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int64
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string
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int64
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string
2,001,075
21.078
0.001
7.036
0.002
19.603
0.001
90
null
109.05
0.01
90
null
2,748
0.8
null
null
null
null
null
null
null
null
5
C 1 2 1
C 2y
null
1-(3-Deoxy-3-phenylseleno-2,5-di-O-pivaloyl-β-D-xylofuranosyl)uracil
- C25 H23 N2 O7 Se -
- C25 H32 N2 O7 Se -
- C100 H128 N8 O28 Se4 -
4
1
AS0514
Yamaguchi, K.; Matsumura, G.; Haraguchi, K.; Itoh, Y.; Tanaka, H.; Miyasaka, T.
Structure of 1-(3-deoxy-3-phenylseleno-2,5-di-<i>O</i>-pivaloyl-β-<small>D</small>-xylofuranosyl)uracil
Acta Crystallographica Section C
1,992
48
2
387
389
10.1107/S0108270191009101
1.5405
Cu
null
null
null
null
null
null
null
null
null
null
null
null
null
null
has coordinates
Yamaguchi, K.; Matsumura, G.; Haraguchi, K.; Itoh, Y.; Tanaka, H.; Miyasaka, T. Structure of 1-(3-deoxy-3-phenylseleno-2,5-di-<i>O</i>-pivaloyl-β-<small>D</small>-xylofuranosyl)uracil Acta Crystallographica Section C 48(2) (1992) 387-389
199,618
2020-10-21
18:00:00
#------------------------------------------------------------------------------ #$Date: 2017-08-07 15:05:28 +0300 (Mon, 07 Aug 2017) $ #$Revision: 199618 $ #$URL: file:///home/coder/svn-repositories/_RELOADED_COD/cod-reloaded/cif/2/00/10/2001075.cif $ #-------------------------------------------------------------------...
7,205,713
15.8642
0.0002
8.3329
0.0001
18.4437
0.0003
90
null
106.542
0.001
90
null
2,337.25
0.06
180
2
180
2
null
null
null
null
6
P 1 21/c 1
-P 2ybc
14
triphenylphosphine oxide:1,4-diiodotetrafluorobenzene 1:1
triphenylphosphine oxide:1,4-diiodotetrafluorobenzene 1:1
- C24 H15 F4 I2 O P -
- C24 H15 F4 I2 O P -
- C96 H60 F16 I8 O4 P4 -
4
1
Cinčić, Dominik; Friščić, Tomislav; Jones, William
Experimental and database studies of three-centered halogen bonds with bifurcated acceptors present in molecular crystals, cocrystals and salts
CrystEngComm
2,011
13
9
3224
10.1039/c0ce00699h
0.71073
MoKα
0.0694
0.0381
null
null
0.0709
0.0801
null
null
null
null
null
1.027
null
null
has coordinates
Cinčić, Dominik; Friščić, Tomislav; Jones, William Experimental and database studies of three-centered halogen bonds with bifurcated acceptors present in molecular crystals, cocrystals and salts CrystEngComm 13(9) (2011) 3224
301,863
2025-08-22
13:07:26
#------------------------------------------------------------------------------ #$Date: 2025-08-22 15:50:14 +0300 (Fri, 22 Aug 2025) $ #$Revision: 301863 $ #$URL: file:///home/coder/svn-repositories/_RELOADED_COD/cod-reloaded/cif/7/20/57/7205713.cif $ #-------------------------------------------------------------------...
2,001,076
6.72
0.003
11.618
0.006
30.452
0.012
90
null
90
null
90
null
2,377.5
1.9
null
null
null
null
null
null
null
null
3
P 21 21 21
P 2ac 2ab
null
- C32 H22 O4 -
- C32 H22 O4 -
- C128 H88 O16 -
4
1
CR0337
Bryant, Jnr, G. L.; Nye, S. A.
Structure of terphenyldiol dibenzoate
Acta Crystallographica Section C
1,992
48
2
389
391
10.1107/S0108270191008247
0.71069
Mo
null
null
null
null
null
null
null
null
null
null
null
null
null
null
has coordinates
Bryant, Jnr, G. L.; Nye, S. A. Structure of terphenyldiol dibenzoate Acta Crystallographica Section C 48(2) (1992) 389-391
301,791
2025-08-18
23:15:00
#------------------------------------------------------------------------------ #$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/2/00/10/2001076.cif $ #-------------------------------------------------------------------...
2,001,077
5.049
0.001
13.677
0.002
8.664
0.001
90
null
94.92
0.01
90
null
596.09
0.16
null
null
null
null
null
null
null
null
5
P 1 21/n 1
-P 2yn
14
- C2 H7 N O5 Se -
- C2 H7 N O5 Se -
- C8 H28 N4 O20 Se4 -
4
1
LI0090
Ondráček, J.; Walzelová, M.; Mička, Z.; Novotný, J.
Structure of glycine-selenious acid (1/1)
Acta Crystallographica Section C
1,992
48
2
391
392
10.1107/S0108270191008235
0.71073
Mo
null
null
null
null
null
null
null
null
null
null
null
null
null
null
has coordinates
Ondráček, J.; Walzelová, M.; Mička, Z.; Novotný, J. Structure of glycine-selenious acid (1/1) Acta Crystallographica Section C 48(2) (1992) 391-392
301,791
2025-08-18
23:15:00
#------------------------------------------------------------------------------ #$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/2/00/10/2001077.cif $ #-------------------------------------------------------------------...
2,001,078
20.611
0.007
9.452
0.005
7.856
0.004
98.52
0.03
96.05
0.02
93
0.3
1,501.6
1.3
null
null
null
null
null
null
null
null
5
P -1
-P 1
2
- C15 H11 N O4 S2 -
- C15 H11 N O4 S2 -
- C60 H44 N4 O16 S8 -
4
2
AL0486
van Veggel, F. C. J. M.; Harkema, S.
Structure of 2-[(4-cyanophenyl)methylene]-1,3-dithiole-4,5-dicarboxylic acid, dimethyl ester
Acta Crystallographica Section C
1,992
48
2
393
395
10.1107/S0108270191009083
0.7107
Mo
null
null
null
null
null
null
null
null
null
null
null
null
null
null
has coordinates
van Veggel, F. C. J. M.; Harkema, S. Structure of 2-[(4-cyanophenyl)methylene]-1,3-dithiole-4,5-dicarboxylic acid, dimethyl ester Acta Crystallographica Section C 48(2) (1992) 393-395
301,791
2025-08-18
23:15:00
#------------------------------------------------------------------------------ #$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/2/00/10/2001078.cif $ #-------------------------------------------------------------------...
2,001,079
11.319
0.003
6.5115
0.0015
18.105
0.005
90
null
105.66
0.02
90
null
1,284.9
0.6
null
null
null
null
null
null
null
null
3
P 1 21/n 1
-P 2yn
14
- C14 H14 O5 -
- C14 H14 O5 -
- C56 H56 O20 -
4
1
CR0352
Hynes, R. C.
Structure of methyl 2-(2,5-dihydro-2-oxo-3-phenyl-5-furyl)lactate
Acta Crystallographica Section C
1,992
48
2
395
396
10.1107/S0108270191008399
1.54056
Cu
null
null
null
null
null
null
null
null
null
null
null
null
null
null
has coordinates
Hynes, R. C. Structure of methyl 2-(2,5-dihydro-2-oxo-3-phenyl-5-furyl)lactate Acta Crystallographica Section C 48(2) (1992) 395-396
301,791
2025-08-18
23:15:00
#------------------------------------------------------------------------------ #$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/2/00/10/2001079.cif $ #-------------------------------------------------------------------...
2,001,080
7.139
0.006
15.823
0.002
12.472
0.005
90
null
103.12
0.09
90
null
1,372
1
null
null
null
null
null
null
null
null
3
P 1 21/c 1
-P 2ybc
null
- C18 H16 O -
- C20 H18 O -
- C80 H72 O4 -
4
1
CR0362
Ariel, S.; Chen, J.; Scheffer, J. R.; Trotter, J.
Structure of 4,4-diphenylcyclohex-2-en-1-one (monoclinic form)
Acta Crystallographica Section C
1,992
48
2
400
402
10.1107/S0108270191009745
1.54056
Cu
null
null
null
null
null
null
null
null
null
null
null
null
null
null
has coordinates
Ariel, S.; Chen, J.; Scheffer, J. R.; Trotter, J. Structure of 4,4-diphenylcyclohex-2-en-1-one (monoclinic form) Acta Crystallographica Section C 48(2) (1992) 400-402
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/2/00/10/2001080.cif $ #-------------------------------------------------------------------...
2,001,081
7.139
0.006
15.823
0.002
12.472
0.005
90
null
103.12
0.09
90
null
1,372
1
null
null
null
null
null
null
null
null
3
P 1 21/c 1
-P 2ybc
null
- C18 H16 O -
- C18 H16 O -
- C72 H64 O4 -
4
1
CR0362
Ariel, S.; Chen, J.; Scheffer, J. R.; Trotter, J.
Structure of 4,4-diphenylcyclohex-2-en-1-one (monoclinic form)
Acta Crystallographica Section C
1,992
48
2
400
402
10.1107/S0108270191009745
0.7093
Mo
null
null
null
null
null
null
null
null
null
null
null
null
null
null
has coordinates
Ariel, S.; Chen, J.; Scheffer, J. R.; Trotter, J. Structure of 4,4-diphenylcyclohex-2-en-1-one (monoclinic form) Acta Crystallographica Section C 48(2) (1992) 400-402
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/2/00/10/2001081.cif $ #-------------------------------------------------------------------...
7,205,712
14.3077
0.0003
7.6892
0.0002
20.0916
0.0004
90
null
125.881
0.001
90
null
1,790.92
0.07
180
2
180
2
null
null
null
null
5
P 1 21/c 1
-P 2ybc
14
phenazine:tetrafluoro-1,2-diiodobenzene 1/1
phenazine:tetrafluoro-1,2-diiodobenzene 1/1
- C18 H8 F4 I2 N2 -
- C18 H8 F4 I2 N2 -
- C72 H32 F16 I8 N8 -
4
1
Cinčić, Dominik; Friščić, Tomislav; Jones, William
Experimental and database studies of three-centered halogen bonds with bifurcated acceptors present in molecular crystals, cocrystals and salts
CrystEngComm
2,011
13
9
3224
10.1039/c0ce00699h
0.71073
MoKα
0.0766
0.0412
null
null
0.104
0.1259
null
null
null
null
null
1.081
null
null
has coordinates
Cinčić, Dominik; Friščić, Tomislav; Jones, William Experimental and database studies of three-centered halogen bonds with bifurcated acceptors present in molecular crystals, cocrystals and salts CrystEngComm 13(9) (2011) 3224
301,863
2025-08-22
13:07:26
#------------------------------------------------------------------------------ #$Date: 2025-08-22 15:50:14 +0300 (Fri, 22 Aug 2025) $ #$Revision: 301863 $ #$URL: file:///home/coder/svn-repositories/_RELOADED_COD/cod-reloaded/cif/7/20/57/7205712.cif $ #-------------------------------------------------------------------...
2,001,082
6.922
0.002
16.733
0.002
10.07
0.003
90
null
96.88
0.02
90
null
1,158
0.5
null
null
null
null
null
null
null
null
4
P 1 21 1
P 2yb
4
- C22 H38 O6 S -
- C22 H38 O6 S -
- C44 H76 O12 S2 -
2
1
HA0072
Feneau-Dupont, J.; Declercq, J.-P.; Huart, C.
Structure of [(1<i>S</i>)-1-[(1'<i>S</i>)-3'-oxocyclohexyl]-3,3-dimethoxy-1-propyl] [(1<i>S</i>,2<i>S</i>,3<i>R</i>)-1,3,7,7-tetramethyl-2-hydroxy-3-bicyclo[2.2.1]heptyl] sulfone
Acta Crystallographica Section C
1,992
48
2
402
404
10.1107/S0108270191008545
1.54178
Cu
null
null
null
null
null
null
null
null
null
null
null
null
null
null
has coordinates
Feneau-Dupont, J.; Declercq, J.-P.; Huart, C. Structure of [(1<i>S</i>)-1-[(1'<i>S</i>)-3'-oxocyclohexyl]-3,3-dimethoxy-1-propyl] [(1<i>S</i>,2<i>S</i>,3<i>R</i>)-1,3,7,7-tetramethyl-2-hydroxy-3-bicyclo[2.2.1]heptyl] sulfone Acta Crystallographica Section C 48(2) (1992) 402-404
301,791
2025-08-18
23:15:00
#------------------------------------------------------------------------------ #$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/2/00/10/2001082.cif $ #-------------------------------------------------------------------...
2,001,083
12.947
0.003
13.814
0.004
16.186
0.005
90
null
108.61
0.03
90
null
2,743.5
1.4
null
null
null
null
null
null
null
null
5
P 1 21/c 1
-P 2ybc
null
- C24 H45 N3 O4 Si -
- C24 H45 N3 O4 Si -
- C96 H180 N12 O16 Si4 -
4
1
HA0075
Tinant, B.; Declercq, J.-P.; Henderson, P.
<i>N</i>-{2-[(1-Cyanocyclohexyl)(<i>tert</i>-butyldimethylsilyloxy)amino]propionyl}-2,5-bis(methoxymethyl)pyrrolidine and <i>N</i>-(2-anilinopropionyl)-2,5-bis(methoxymethyl)pyrrolidine
Acta Crystallographica Section C
1,992
48
2
404
406
10.1107/S0108270191009460
1.5418
Cu
null
null
null
null
null
null
null
null
null
null
null
null
null
null
has coordinates
Tinant, B.; Declercq, J.-P.; Henderson, P. <i>N</i>-{2-[(1-Cyanocyclohexyl)(<i>tert</i>-butyldimethylsilyloxy)amino]propionyl}-2,5-bis(methoxymethyl)pyrrolidine and <i>N</i>-(2-anilinopropionyl)-2,5-bis(methoxymethyl)pyrrolidine Acta Crystallographica Section C 48(2) (1992) 404-406
301,791
2025-08-18
23:15:00
#------------------------------------------------------------------------------ #$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/2/00/10/2001083.cif $ #-------------------------------------------------------------------...
2,001,084
9.579
0.002
9.601
0.001
18.826
0.002
90
null
103.25
0.02
90
null
1,685.3
0.5
null
null
null
null
null
null
null
null
4
P 1 21/c 1
-P 2ybc
null
- C17 H26 N2 O3 -
- C17 H26 N2 O3 -
- C68 H104 N8 O12 -
4
1
HA0075
Tinant, B.; Declercq, J.-P.; Henderson, P.
<i>N</i>-{2-[(1-Cyanocyclohexyl)(<i>tert</i>-butyldimethylsilyloxy)amino]propionyl}-2,5-bis(methoxymethyl)pyrrolidine and <i>N</i>-(2-anilinopropionyl)-2,5-bis(methoxymethyl)pyrrolidine
Acta Crystallographica Section C
1,992
48
2
404
406
10.1107/S0108270191009460
0.71069
Mo
null
null
null
null
null
null
null
null
null
null
null
null
null
null
has coordinates
Tinant, B.; Declercq, J.-P.; Henderson, P. <i>N</i>-{2-[(1-Cyanocyclohexyl)(<i>tert</i>-butyldimethylsilyloxy)amino]propionyl}-2,5-bis(methoxymethyl)pyrrolidine and <i>N</i>-(2-anilinopropionyl)-2,5-bis(methoxymethyl)pyrrolidine Acta Crystallographica Section C 48(2) (1992) 404-406
301,791
2025-08-18
23:15:00
#------------------------------------------------------------------------------ #$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/2/00/10/2001084.cif $ #-------------------------------------------------------------------...
7,205,711
9.3792
0.0001
13.262
0.0002
20.959
0.0004
74.809
0.001
88.358
0.001
78.396
0.001
2,463.71
0.07
180
2
180
2
null
null
null
null
5
P -1
-P 1
2
acridine:tetrafluoro-1,2-diiodobenzene 7/4
acridine:tetrafluoro-1,2-diiodobenzene 7/4
- C115 H63 F16 I8 N7 -
- C115 H63 F16 I8 N7 -
- C115 H63 F16 I8 N7 -
1
0.5
Cinčić, Dominik; Friščić, Tomislav; Jones, William
Experimental and database studies of three-centered halogen bonds with bifurcated acceptors present in molecular crystals, cocrystals and salts
CrystEngComm
2,011
13
9
3224
10.1039/c0ce00699h
0.71073
MoKα
0.0829
0.0438
null
null
0.0805
0.0923
null
null
null
null
null
1.013
null
null
has coordinates
Cinčić, Dominik; Friščić, Tomislav; Jones, William Experimental and database studies of three-centered halogen bonds with bifurcated acceptors present in molecular crystals, cocrystals and salts CrystEngComm 13(9) (2011) 3224
180,388
2020-10-21
18:00:00
#------------------------------------------------------------------------------ #$Date: 2016-03-26 17:20:13 +0200 (Sat, 26 Mar 2016) $ #$Revision: 180388 $ #$URL: file:///home/coder/svn-repositories/_RELOADED_COD/cod-reloaded/cif/7/20/57/7205711.cif $ #-------------------------------------------------------------------...
2,001,085
6.791
0.005
9.107
0.006
10.683
0.007
99.84
0.05
99.19
0.06
110.56
0.06
592
0.8
null
null
null
null
null
null
null
null
5
P -1
-P 1
2
- Cs3 H4 N27 Nd2 O2 -
- Cs3 H4 N27 Nd2 O2 -
- Cs3 H4 N27 Nd2 O2 -
1
0.5
MU0250
Starynowicz, P.
Structure of tricaesium diaquanonaazidedineodymate(III)
Acta Crystallographica Section C
1,992
48
1
4
5
10.1107/S0108270191008430
0.71069
Mo
null
null
null
null
null
null
null
null
null
null
null
null
null
null
has coordinates
Starynowicz, P. Structure of tricaesium diaquanonaazidedineodymate(III) Acta Crystallographica Section C 48(1) (1992) 4-5
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/2/00/10/2001085.cif $ #-------------------------------------------------------------------...
2,001,086
5.4709
0.0009
5.683
0.0006
8.0734
0.0012
90
null
88.964
0.007
90
null
250.97
0.06
null
null
null
null
null
null
null
null
3
P 1 21/n 1
-P 2yn
14
- F6 Mn Na3 -
- F6 Mn Na3 -
- F12 Mn2 Na6 -
2
0.5
AL0476
Englich, U.; Massa, W.; Tressaud, A.
Structure of trisodium hexafluoromanganate(III)
Acta Crystallographica Section C
1,992
48
1
6
8
10.1107/S0108270191009071
0.7107
Mo
null
null
null
null
null
null
null
null
null
null
null
null
null
null
has coordinates
Englich, U.; Massa, W.; Tressaud, A. Structure of trisodium hexafluoromanganate(III) Acta Crystallographica Section C 48(1) (1992) 6-8
278,324
2022-10-03
14:41:53
#------------------------------------------------------------------------------ #$Date: 2022-10-03 17:40:12 +0300 (Mon, 03 Oct 2022) $ #$Revision: 278324 $ #$URL: file:///home/coder/svn-repositories/_RELOADED_COD/cod-reloaded/cif/2/00/10/2001086.cif $ #-------------------------------------------------------------------...
2,001,087
7.052
0.002
7.052
0.002
11.15
0.003
90
null
90
null
90
null
554.5
0.3
null
null
null
null
null
null
null
null
4
I 4/m m m
null
- Ba2 Cu2 O12 Si4 -
- Ba2 Cu2 O12 Si4 -
- Ba4 Cu4 O24 Si8 -
2
0.0625
AB0183
Janczak, J.; Kubiak, R.
Structure of the cyclic barium copper silicate Ba~2~Cu~2~[Si~4~O~12~] at 300 K
Acta Crystallographica Section C
1,992
48
1
8
10
10.1107/S0108270191002354
0.71073
Mo
null
null
null
null
null
null
null
null
null
null
null
null
null
null
has coordinates
Janczak, J.; Kubiak, R. Structure of the cyclic barium copper silicate Ba~2~Cu~2~[Si~4~O~12~] at 300 K Acta Crystallographica Section C 48(1) (1992) 8-10
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/2/00/10/2001087.cif $ #-------------------------------------------------------------------...
2,001,088
11.55
0.01
7.877
0.002
16.866
0.005
90
null
90
null
90
null
1,534.5
1.5
null
null
null
null
null
null
null
null
6
P c a 21
P 2c -2ac
null
- C9 H16 Cu N4 O6 S -
- C9 H16 Cu N4 O6 S -
- C36 H64 Cu4 N16 O24 S4 -
4
1
LI0094
Haanstra, W. G.; Driessen, W. L.; Reedijk, J.
Structure of [1-(3,5-dimethyl-1-pyrazolyl)-3-thiapentane-<i>N</i>,<i>S</i>]bis(nitrato-<i>O</i>,<i>O</i>)copper(II)
Acta Crystallographica Section C
1,992
48
1
14
16
10.1107/S0108270191009204
0.71073
Mo
null
null
null
null
null
null
null
null
null
null
null
null
null
null
has coordinates
Haanstra, W. G.; Driessen, W. L.; Reedijk, J. Structure of [1-(3,5-dimethyl-1-pyrazolyl)-3-thiapentane-<i>N</i>,<i>S</i>]bis(nitrato-<i>O</i>,<i>O</i>)copper(II) Acta Crystallographica Section C 48(1) (1992) 14-16
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/2/00/10/2001088.cif $ #-------------------------------------------------------------------...
2,001,089
17.95
0.005
17.95
null
10.907
0.002
90
null
90
null
90
null
3,514.3
1.2
null
null
null
null
null
null
null
null
6
I -4 2 d
I -4 2bw
null
- C20 H49 Cl6 N8 O0.5 Zn3 -
- C20 H48 Cl6 N8 O Zn3 -
- C80 H192 Cl24 N32 O4 Zn12 -
4
0.25
MU0269
Alcock, N. W.; Berry, A.; Moore, P.
Structure of a complex of 1,4,8,11-tetraazacyclotetradecane (cyclam) with zinc(II) chloride
Acta Crystallographica Section C
1,992
48
1
16
19
10.1107/S0108270191008454
0.71069
Mo
null
null
null
null
null
null
null
null
null
null
null
null
null
null
has coordinates
Alcock, N. W.; Berry, A.; Moore, P. Structure of a complex of 1,4,8,11-tetraazacyclotetradecane (cyclam) with zinc(II) chloride Acta Crystallographica Section C 48(1) (1992) 16-19
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/2/00/10/2001089.cif $ #-------------------------------------------------------------------...
2,001,090
10.404
0.004
16.454
0.005
13.539
0.005
90
null
103.99
0.03
90
null
2,249
1.4
null
null
null
null
null
null
null
null
5
P 1 21/n 1
-P 2yn
14
- C51 H41 Cu2 N5 O8 -
- C54 Cu2 N6 O10 -
- C108 Cu4 N12 O20 -
2
0.5
HE0010
Liu, S.-X.
Structure of a new type of copper carboxylate complex: [Cu(C~14~H~8~O~3~)(C~10~H~8~N~2~)]~2~.C~3~H~7~N.H~2~O
Acta Crystallographica Section C
1,992
48
1
22
24
10.1107/S0108270191005383
0.71069
Mo
null
null
null
null
null
null
null
null
null
null
null
null
null
null
has coordinates
Liu, S.-X. Structure of a new type of copper carboxylate complex: [Cu(C~14~H~8~O~3~)(C~10~H~8~N~2~)]~2~.C~3~H~7~N.H~2~O Acta Crystallographica Section C 48(1) (1992) 22-24
278,324
2022-10-03
14:41:53
#------------------------------------------------------------------------------ #$Date: 2022-10-03 17:40:12 +0300 (Mon, 03 Oct 2022) $ #$Revision: 278324 $ #$URL: file:///home/coder/svn-repositories/_RELOADED_COD/cod-reloaded/cif/2/00/10/2001090.cif $ #-------------------------------------------------------------------...
2,001,091
12.884
0.006
12.012
0.006
14.442
0.007
90
null
101.45
0.03
90
null
2,190.6
1.8
null
null
null
null
null
null
null
null
4
P 1 21/n 1
-P 2yn
14
- C14 H14 Fe O2 -
- C14 H14 Fe O2 -
- C112 H112 Fe8 O16 -
8
2
CR0317
Geib, S. J.; Rao, S. J.; Petter, R. C.
Structure of 1,1':2,2'-bis(oxybismethylene)ferrocene
Acta Crystallographica Section C
1,992
48
1
25
27
10.1107/S0108270191004250
0.71073
null
null
null
null
null
null
null
null
null
null
null
null
null
null
has coordinates
Geib, S. J.; Rao, S. J.; Petter, R. C. Structure of 1,1':2,2'-bis(oxybismethylene)ferrocene Acta Crystallographica Section C 48(1) (1992) 25-27
278,324
2022-10-03
14:41:53
#------------------------------------------------------------------------------ #$Date: 2022-10-03 17:40:12 +0300 (Mon, 03 Oct 2022) $ #$Revision: 278324 $ #$URL: file:///home/coder/svn-repositories/_RELOADED_COD/cod-reloaded/cif/2/00/10/2001091.cif $ #-------------------------------------------------------------------...
7,205,710
6.3597
0.0002
8.6865
0.0002
11.2216
0.0003
69.182
0.001
89.501
0.001
81.866
0.001
573.04
0.03
293
2
293
2
null
null
null
null
5
P -1
-P 1
2
1,4-DIIODOTETRAFLUOROBENZENE - 1,4-DITHIANE 2/1
1,4-DIIODOTETRAFLUOROBENZENE - 1,4-DITHIANE 2/1
- C16 H8 F8 I4 S2 -
- C16 H8 F8 I4 S2 -
- C16 H8 F8 I4 S2 -
1
0.5
Cinčić, Dominik; Friščić, Tomislav; Jones, William
Experimental and database studies of three-centered halogen bonds with bifurcated acceptors present in molecular crystals, cocrystals and salts
CrystEngComm
2,011
13
9
3224
10.1039/c0ce00699h
0.71073
MoKα
0.052
0.0368
null
null
0.0893
0.1017
null
null
null
null
null
1.062
null
null
has coordinates
Cinčić, Dominik; Friščić, Tomislav; Jones, William Experimental and database studies of three-centered halogen bonds with bifurcated acceptors present in molecular crystals, cocrystals and salts CrystEngComm 13(9) (2011) 3224
301,863
2025-08-22
13:07:26
#------------------------------------------------------------------------------ #$Date: 2025-08-22 15:50:14 +0300 (Fri, 22 Aug 2025) $ #$Revision: 301863 $ #$URL: file:///home/coder/svn-repositories/_RELOADED_COD/cod-reloaded/cif/7/20/57/7205710.cif $ #-------------------------------------------------------------------...
2,001,092
8.586
0.006
8.79
0.008
8.77
0.006
68.23
0.06
62.42
0.05
86.08
0.07
540.5
0.8
null
null
null
null
null
null
null
null
6
P -1
-P 1
2
- C24 H20 Cl2 Cu N4 O4 -
- C24 H20 Cl2 Cu N4 O4 -
- C24 H20 Cl2 Cu N4 O4 -
1
0.5
MU0249
Kožíšek, J.; Baran, P.; Valigura, D.
Structure of dichlorobis(1,10-phenanthroline <i>N</i>-oxide)copper(II) dihydrate
Acta Crystallographica Section C
1,992
48
1
31
33
10.1107/S0108270191009642
0.71069
Mo
null
null
null
null
null
null
null
null
null
null
null
null
null
null
has coordinates
Kožíšek, J.; Baran, P.; Valigura, D. Structure of dichlorobis(1,10-phenanthroline <i>N</i>-oxide)copper(II) dihydrate Acta Crystallographica Section C 48(1) (1992) 31-33
301,791
2025-08-18
23:15:00
#------------------------------------------------------------------------------ #$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/2/00/10/2001092.cif $ #-------------------------------------------------------------------...
2,001,093
15.011
0.003
11.316
0.004
16.155
0.002
90
null
106.55
0.01
90
null
2,630.5
1.1
null
null
null
null
null
null
null
null
7
P 1 21/n 1
-P 2yn
14
- C23 H24 I2 N O2 Os P -
- C23 H24 I3 N O2 Os P -
- C92 H96 I12 N4 O8 Os4 P4 -
4
1
AS0511
Lu, K. L.; Lin, Y. C.; Cheng, M. C.; Wang, Y.
Structure of an aminodicarbonyldiiodo(triphenylphosphine)osmium complex
Acta Crystallographica Section C
1,992
48
1
33
35
10.1107/S0108270191009149
0.7107
Mo
null
null
null
null
null
null
null
null
null
null
null
null
null
null
has coordinates
Lu, K. L.; Lin, Y. C.; Cheng, M. C.; Wang, Y. Structure of an aminodicarbonyldiiodo(triphenylphosphine)osmium complex Acta Crystallographica Section C 48(1) (1992) 33-35
278,324
2022-10-03
14:41:53
#------------------------------------------------------------------------------ #$Date: 2022-10-03 17:40:12 +0300 (Mon, 03 Oct 2022) $ #$Revision: 278324 $ #$URL: file:///home/coder/svn-repositories/_RELOADED_COD/cod-reloaded/cif/2/00/10/2001093.cif $ #-------------------------------------------------------------------...
2,001,094
14.027
0.002
21.127
0.003
12.229
0.002
90
null
100.56
0.01
90
null
3,562.7
0.9
null
null
null
null
null
null
null
null
6
P 1 21/n 1
-P 2yn
14
- C39 H30 F6 O2 P2 Pt -
- C39 F6 O2 P2 Pt -
- C156 F24 O8 P8 Pt4 -
4
1
CD0038
Hynes, R. C.; Willis, C. J.; Payne, N. C.
A <i>gem</i>-diolato complex of platinum: structure of [{P(C~6~H~5~)~3~}~2~Pt{O~2~C(CF~3~)~2~}]
Acta Crystallographica Section C
1,992
48
1
42
45
10.1107/S0108270191009265
0.71073
Mo
null
null
null
null
null
null
null
null
null
null
null
null
null
null
has coordinates
Hynes, R. C.; Willis, C. J.; Payne, N. C. A <i>gem</i>-diolato complex of platinum: structure of [{P(C~6~H~5~)~3~}~2~Pt{O~2~C(CF~3~)~2~}] Acta Crystallographica Section C 48(1) (1992) 42-45
278,324
2022-10-03
14:41:53
#------------------------------------------------------------------------------ #$Date: 2022-10-03 17:40:12 +0300 (Mon, 03 Oct 2022) $ #$Revision: 278324 $ #$URL: file:///home/coder/svn-repositories/_RELOADED_COD/cod-reloaded/cif/2/00/10/2001094.cif $ #-------------------------------------------------------------------...
2,001,095
13.482
0.001
15.926
0.004
9.827
0.002
90
null
90
null
90
null
2,110
0.7
null
null
null
null
null
null
null
null
6
P 21 21 21
P 2ac 2ab
null
- C20 H28 Cl2 N P Pt -
- C20 H31 Cl2 N P Pt -
- C80 H124 Cl8 N4 P4 Pt4 -
4
1
CD0057
Payne, N. C.; Tobin, G. R.
A chiral aminophosphine complex of platinum: structure of <i>cis</i>-dichloro[(1<i>S</i>)-<i>N</i>,<i>N</i>-dimethyl-1-{2-[(<i>S</i>)-<i>tert</i>-butylphenylphosphino]phenyl}ethylamine-<i>N</i>,<i>P</i>]platinum(II)
Acta Crystallographica Section C
1,992
48
1
45
48
10.1107/S0108270191009216
0.71073
Mo
null
null
null
null
null
null
null
null
null
null
null
null
null
null
has coordinates
Payne, N. C.; Tobin, G. R. A chiral aminophosphine complex of platinum: structure of <i>cis</i>-dichloro[(1<i>S</i>)-<i>N</i>,<i>N</i>-dimethyl-1-{2-[(<i>S</i>)-<i>tert</i>-butylphenylphosphino]phenyl}ethylamine-<i>N</i>,<i>P</i>]platinum(II) Acta Crystallographica Section C 48(1) (1992) 45-48
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/2/00/10/2001095.cif $ #-------------------------------------------------------------------...
7,205,709
18.372
0.008
19.143
0.008
10.534
0.005
90
null
124.353
0.01
90
null
3,059
2
293
2
293
2
null
null
null
null
6
C 1 2/c 1
-C 2yc
15
- C10.5 H19.5 N1.5 O7.5 P Zn -
- C10.5 H16 N1.5 O7.5 P Zn -
- C84 H128 N12 O60 P8 Zn8 -
8
1
Chen, Zhenxia; Ling, Yun; Yang, Haiyang; Guo, Yufen; Weng, Linhong; Zhou, Yaming
Two-step synthesis, structure and adsorption property of a dynamic zinc phosphonocarboxylate framework
CrystEngComm
2,011
13
10
3378
10.1039/c0ce00687d
0.71073
MoKα
0.0537
0.0408
null
null
0.1098
0.1204
null
null
null
null
null
1.07
null
null
has coordinates
Chen, Zhenxia; Ling, Yun; Yang, Haiyang; Guo, Yufen; Weng, Linhong; Zhou, Yaming Two-step synthesis, structure and adsorption property of a dynamic zinc phosphonocarboxylate framework CrystEngComm 13(10) (2011) 3378
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/7/20/57/7205709.cif $ #-------------------------------------------------------------------...
2,001,096
18.402
0.017
16.861
0.019
16.328
0.016
90
null
117.04
0.07
90
null
4,512
8
null
null
null
null
null
null
null
null
5
C 1 2/c 1
null
- C18 H32 N2 O4 Sn -
- C18 H31 N2 O4 Sn -
- C144 H248 N16 O32 Sn8 -
8
1
MU0200
Kellö, E.; Vrábel, V.; Rattay, V.; Sivý, J.; Kožíšek, J.
Structure of tri-<i>n</i>-butyltin(IV) 1-uracilacetate
Acta Crystallographica Section C
1,992
48
1
51
53
10.1107/S0108270191008934
0.71069
Mo
null
null
null
null
null
null
null
null
null
null
null
null
null
null
has coordinates
Kellö, E.; Vrábel, V.; Rattay, V.; Sivý, J.; Kožíšek, J. Structure of tri-<i>n</i>-butyltin(IV) 1-uracilacetate Acta Crystallographica Section C 48(1) (1992) 51-53
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/2/00/10/2001096.cif $ #-------------------------------------------------------------------...
2,001,097
8.759
0.003
13.037
0.003
15.366
0.004
90
null
90
null
90
null
1,754.7
0.9
null
null
null
null
null
null
null
null
4
P 21 21 21
P 2ac 2ab
null
- C15 H20 B9 Co -
- C15 H20 B9 Co -
- C60 H80 B36 Co4 -
4
1
MU0270
Lewis, Z. G.; Welch, A. J.
Synthesis and structure of 3-fluorenyl-3-cobalta-1,2-dicarba-<i>closo</i>-nonaborane(11), 3-(η^5^-C~13~H~9~)-3,1,2-<i>closo</i>-CoC~2~B~9~H~11~
Acta Crystallographica Section C
1,992
48
1
53
57
10.1107/S0108270191009058
0.71069
Mo
null
null
null
null
null
null
null
null
null
null
null
null
null
null
has coordinates
Lewis, Z. G.; Welch, A. J. Synthesis and structure of 3-fluorenyl-3-cobalta-1,2-dicarba-<i>closo</i>-nonaborane(11), 3-(η^5^-C~13~H~9~)-3,1,2-<i>closo</i>-CoC~2~B~9~H~11~ Acta Crystallographica Section C 48(1) (1992) 53-57
176,435
2020-10-21
18:00:00
#------------------------------------------------------------------------------ #$Date: 2016-02-14 16:26:36 +0200 (Sun, 14 Feb 2016) $ #$Revision: 176435 $ #$URL: file:///home/coder/svn-repositories/_RELOADED_COD/cod-reloaded/cif/2/00/10/2001097.cif $ #-------------------------------------------------------------------...
2,001,098
18.097
0.004
9.714
0.002
13.845
0.001
90
null
92.46
0.01
90
null
2,431.6
0.8
null
null
null
null
null
null
null
null
6
C 1 2/c 1
-C 2yc
null
- C8 H17 Cd Cl2 N O2 -
- C8 H17 Cd Cl2 N O2 -
- C64 H136 Cd8 Cl16 N8 O16 -
8
1
AS0497
Chen, X.-M.; Mak, T. C. W.; Huang, W.-Y.; Lü, L.
Metal-betaine interactions. XI. Structure of <i>catena</i>-[μ-dichloro-(triethylammonioacetato)cadmium(II)]
Acta Crystallographica Section C
1,992
48
1
57
59
10.1107/S0108270191008363
0.71073
Mo
null
null
null
null
null
null
null
null
null
null
null
null
null
null
has coordinates
Chen, X.-M.; Mak, T. C. W.; Huang, W.-Y.; Lü, L. Metal-betaine interactions. XI. Structure of <i>catena</i>-[μ-dichloro-(triethylammonioacetato)cadmium(II)] Acta Crystallographica Section C 48(1) (1992) 57-59
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/2/00/10/2001098.cif $ #-------------------------------------------------------------------...
2,001,099
11.689
0.002
22.934
0.004
11.592
0.002
90
null
100.16
0.03
90
null
3,058.8
1
null
null
null
null
null
null
null
null
4
C 1 2/c 1
-C 2yc
15
- C18 H17 N O3 -
- C18 H17 N O3 -
- C144 H136 N8 O24 -
8
1
CR0281
Chandrakantha, T. N.; Puttaraja; Nethaji, M.
Structure of ethyl 5-methoxy-3-phenyl-2-indolecarboxylate
Acta Crystallographica Section C
1,992
48
1
60
62
10.1107/S0108270191002913
0.7107
Mo
null
null
null
null
null
null
null
null
null
null
null
null
null
null
has coordinates
Chandrakantha, T. N.; Puttaraja; Nethaji, M. Structure of ethyl 5-methoxy-3-phenyl-2-indolecarboxylate Acta Crystallographica Section C 48(1) (1992) 60-62
301,791
2025-08-18
23:15:00
#------------------------------------------------------------------------------ #$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/2/00/10/2001099.cif $ #-------------------------------------------------------------------...
7,205,708
17.804
0.006
19.34
0.012
10.242
0.007
90
null
119.51
0.05
90
null
3,069
3
293
2
293
2
null
null
null
null
6
C 1 2/c 1
-C 2yc
15
- C8 H9.5 N0.5 O5.5 P Zn -
- C8 H8 N0.5 O5.5 P Zn -
- C64 H64 N4 O44 P8 Zn8 -
8
1
Chen, Zhenxia; Ling, Yun; Yang, Haiyang; Guo, Yufen; Weng, Linhong; Zhou, Yaming
Two-step synthesis, structure and adsorption property of a dynamic zinc phosphonocarboxylate framework
CrystEngComm
2,011
13
10
3378
10.1039/c0ce00687d
0.71073
MoKα
0.0817
0.0695
null
null
0.1991
0.2115
null
null
null
null
null
1.08
null
null
has coordinates
Chen, Zhenxia; Ling, Yun; Yang, Haiyang; Guo, Yufen; Weng, Linhong; Zhou, Yaming Two-step synthesis, structure and adsorption property of a dynamic zinc phosphonocarboxylate framework CrystEngComm 13(10) (2011) 3378
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/7/20/57/7205708.cif $ #-------------------------------------------------------------------...
2,001,100
12.795
0.002
13.178
0.002
11.092
0.002
90
null
90
null
90
null
1,870.2
0.5
null
null
null
null
null
null
null
null
3
I b a m
-I 2 2c
null
- C10 H14 O3 -
- C10 H13 O3 -
- C80 H104 O24 -
8
0.5
CR0251
Thompson, H. W.; Lalancette, R. A.; Vanderhoff, P. A.
9-Oxobicyclo[3.3.1]nonane-1-carboxylic acid: structure and hydrogen-bonding pattern
Acta Crystallographica Section C
1,992
48
1
66
70
10.1107/S010827019100330X
1.5418
Cu
null
null
null
null
null
null
null
null
null
null
null
null
null
null
has coordinates
Thompson, H. W.; Lalancette, R. A.; Vanderhoff, P. A. 9-Oxobicyclo[3.3.1]nonane-1-carboxylic acid: structure and hydrogen-bonding pattern Acta Crystallographica Section C 48(1) (1992) 66-70
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/2/00/11/2001100.cif $ #-------------------------------------------------------------------...
2,001,101
8.264
0.001
6.988
0.001
18.288
0.001
90
null
96.27
0.01
90
null
1,049.8
0.2
null
null
null
null
null
null
null
null
3
P 1 21/n 1
-P 2yn
14
- C10 H16 O4 -
- C10 H16 O4 -
- C40 H64 O16 -
4
1
AN0328
Mackay, M. F.; Banwell, M. G.; Reum, M. E.; Richards, S. L.
Structures of three 2,2-dimethyl-3a,4,5,7a-tetrahydro-1,3-benzodioxolan-4-ols
Acta Crystallographica Section C
1,992
48
1
70
73
10.1107/S0108270191004456
1.5418
Cu
null
null
null
null
null
null
null
null
null
null
null
null
null
null
has coordinates
Mackay, M. F.; Banwell, M. G.; Reum, M. E.; Richards, S. L. Structures of three 2,2-dimethyl-3a,4,5,7a-tetrahydro-1,3-benzodioxolan-4-ols Acta Crystallographica Section C 48(1) (1992) 70-73
301,791
2025-08-18
23:15:00
#------------------------------------------------------------------------------ #$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/2/00/11/2001101.cif $ #-------------------------------------------------------------------...
2,001,102
12.792
0.001
8.937
0.001
13.089
0.001
90
null
91.37
0.01
90
null
1,495.9
0.2
null
null
null
null
null
null
null
null
3
P 1 21/n 1
-P 2yn
14
- C16 H18 O5 -
- C16 H18 O5 -
- C64 H72 O20 -
4
1
AN0328
Mackay, M. F.; Banwell, M. G.; Reum, M. E.; Richards, S. L.
Structures of three 2,2-dimethyl-3a,4,5,7a-tetrahydro-1,3-benzodioxolan-4-ols
Acta Crystallographica Section C
1,992
48
1
70
73
10.1107/S0108270191004456
1.5418
Cu
null
null
null
null
null
null
null
null
null
null
null
null
null
null
has coordinates
Mackay, M. F.; Banwell, M. G.; Reum, M. E.; Richards, S. L. Structures of three 2,2-dimethyl-3a,4,5,7a-tetrahydro-1,3-benzodioxolan-4-ols Acta Crystallographica Section C 48(1) (1992) 70-73
301,791
2025-08-18
23:15:00
#------------------------------------------------------------------------------ #$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/2/00/11/2001102.cif $ #-------------------------------------------------------------------...
2,001,103
10.773
0.001
25.953
0.001
10.818
0.001
90
null
90
null
90
null
3,024.6
0.4
null
null
null
null
null
null
null
null
3
P b c a
-P 2ac 2ab
null
- C16 H18 O5 -
- C16 H18 O5 -
- C128 H144 O40 -
8
1
AN0328
Mackay, M. F.; Banwell, M. G.; Reum, M. E.; Richards, S. L.
Structures of three 2,2-dimethyl-3a,4,5,7a-tetrahydro-1,3-benzodioxolan-4-ols
Acta Crystallographica Section C
1,992
48
1
70
73
10.1107/S0108270191004456
1.5418
Cu
null
null
null
null
null
null
null
null
null
null
null
null
null
null
has coordinates
Mackay, M. F.; Banwell, M. G.; Reum, M. E.; Richards, S. L. Structures of three 2,2-dimethyl-3a,4,5,7a-tetrahydro-1,3-benzodioxolan-4-ols Acta Crystallographica Section C 48(1) (1992) 70-73
301,791
2025-08-18
23:15:00
#------------------------------------------------------------------------------ #$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/2/00/11/2001103.cif $ #-------------------------------------------------------------------...
2,001,104
8.229
0.002
10.654
0.003
10.668
0.002
92.93
0.02
93.01
0.02
107.5
0.2
888.6
1.1
null
null
null
null
null
null
null
null
3
P -1
-P 1
2
- C10 H9 N3 -
- C10 H9 N3 -
- C40 H36 N12 -
4
2
CR0297
Pyrka, G. J.; Pinkerton, A. A.
Structure of the high-temperature-melting polymorph of 2,2'-dipyridylamine
Acta Crystallographica Section C
1,992
48
1
91
94
10.1107/S0108270191007163
0.71073
Mo
null
null
null
null
null
null
null
null
null
null
null
null
null
null
has coordinates
Pyrka, G. J.; Pinkerton, A. A. Structure of the high-temperature-melting polymorph of 2,2'-dipyridylamine Acta Crystallographica Section C 48(1) (1992) 91-94
301,791
2025-08-18
23:15:00
#------------------------------------------------------------------------------ #$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/2/00/11/2001104.cif $ #-------------------------------------------------------------------...
7,205,707
14.33
0.005
13.962
0.005
17.424
0.006
90
null
98.347
0.004
90
null
3,449
2
173
2
173
2
null
null
null
null
6
C 1 2/c 1
-C 2yc
15
- C17 H12 N2 O5 P Zn1.5 -
- C17 H12 N2 O5 P Zn1.5 -
- C136 H96 N16 O40 P8 Zn12 -
8
1
Chen, Zhenxia; Ling, Yun; Yang, Haiyang; Guo, Yufen; Weng, Linhong; Zhou, Yaming
Two-step synthesis, structure and adsorption property of a dynamic zinc phosphonocarboxylate framework
CrystEngComm
2,011
13
10
3378
10.1039/c0ce00687d
0.71073
MoKα
0.0344
0.0276
null
null
0.0685
0.0708
null
null
null
null
null
0.978
null
null
has coordinates
Chen, Zhenxia; Ling, Yun; Yang, Haiyang; Guo, Yufen; Weng, Linhong; Zhou, Yaming Two-step synthesis, structure and adsorption property of a dynamic zinc phosphonocarboxylate framework CrystEngComm 13(10) (2011) 3378
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/7/20/57/7205707.cif $ #-------------------------------------------------------------------...
2,001,105
13.32
0.004
31.654
0.015
6.991
0.003
90
null
90
null
90
null
2,948
2
null
null
null
null
null
null
null
null
4
P b c a
-P 2ac 2ab
null
- C18 H16 N2 O2 -
- C18 H16 N2 O2 -
- C144 H128 N16 O16 -
8
1
AS0499
Mori, Y.; Hayakawa, A.; Maeda, K.
Structure of photostable 1-(hydroxyalkyl)-2(1<i>H</i>)-pyrazinones
Acta Crystallographica Section C
1,992
48
1
123
126
10.1107/S0108270191007904
0.71073
Mo
null
null
null
null
null
null
null
null
null
null
null
null
null
null
has coordinates
Mori, Y.; Hayakawa, A.; Maeda, K. Structure of photostable 1-(hydroxyalkyl)-2(1<i>H</i>)-pyrazinones Acta Crystallographica Section C 48(1) (1992) 123-126
301,791
2025-08-18
23:15:00
#------------------------------------------------------------------------------ #$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/2/00/11/2001105.cif $ #-------------------------------------------------------------------...
2,001,106
9.939
0.002
10.043
0.002
9.603
0.003
114.19
0.02
96.89
0.02
106.4
0.02
807.8
0.4
null
null
null
null
null
null
null
null
4
P -1
-P 1
2
- C19 H18 N2 O2 -
- C19 H18 N2 O2 -
- C38 H36 N4 O4 -
2
1
AS0499
Mori, Y.; Hayakawa, A.; Maeda, K.
Structure of photostable 1-(hydroxyalkyl)-2(1<i>H</i>)-pyrazinones
Acta Crystallographica Section C
1,992
48
1
123
126
10.1107/S0108270191007904
0.71073
Mo
null
null
null
null
null
null
null
null
null
null
null
null
null
null
has coordinates
Mori, Y.; Hayakawa, A.; Maeda, K. Structure of photostable 1-(hydroxyalkyl)-2(1<i>H</i>)-pyrazinones Acta Crystallographica Section C 48(1) (1992) 123-126
301,791
2025-08-18
23:15:00
#------------------------------------------------------------------------------ #$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/2/00/11/2001106.cif $ #-------------------------------------------------------------------...
2,001,107
9.095
0.001
7.087
0.001
14.149
0.002
90
null
107.87
0.03
90
null
868
0.2
null
null
null
null
null
null
null
null
3
P 1 21 1
P 2yb
4
- C18 H31 I -
- C18 H30 I -
- C36 H60 I2 -
2
1
HA0064
Kojić-Prodić, B.; Luić, M.; Nigović, B.; Duddeck, H.; Rosenbaum, D.
Structure of 3,5-di-<i>tert</i>-butyl-10-iodoprotoadamantane
Acta Crystallographica Section C
1,992
48
1
131
133
10.1107/S0108270191007758
0.71073
Mo
null
null
null
null
null
null
null
null
null
null
null
null
null
null
has coordinates
Kojić-Prodić, B.; Luić, M.; Nigović, B.; Duddeck, H.; Rosenbaum, D. Structure of 3,5-di-<i>tert</i>-butyl-10-iodoprotoadamantane Acta Crystallographica Section C 48(1) (1992) 131-133
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/2/00/11/2001107.cif $ #-------------------------------------------------------------------...
2,001,108
6.8553
0.001
15.399
0.002
8.5628
0.0009
90
null
95.763
0.01
90
null
899.4
0.2
null
null
null
null
null
null
null
null
5
P 1 21/n 1
-P 2yn
14
- C9 H10 Cl N O -
- C9 H10 Cl N O -
- C36 H40 Cl4 N4 O4 -
4
1
AB0222
Jerslev, B.; Larsen, S.
(<i>E</i>)-4-Chloro-2,6-dimethylbenzaldehyde oxime at 110 K
Acta Crystallographica Section C
1,992
48
1
136
138
10.1107/S0108270191007850
1.54178
Cu
null
null
null
null
null
null
null
null
null
null
null
null
null
null
has coordinates
Jerslev, B.; Larsen, S. (<i>E</i>)-4-Chloro-2,6-dimethylbenzaldehyde oxime at 110 K Acta Crystallographica Section C 48(1) (1992) 136-138
301,791
2025-08-18
23:15:00
#------------------------------------------------------------------------------ #$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/2/00/11/2001108.cif $ #-------------------------------------------------------------------...
2,001,109
10.16
0.002
12.23
0.002
12.796
0.001
105.735
0.006
99.58
0.02
90.09
0.01
1,507.2
0.5
null
null
null
null
null
null
null
null
3
P -1
-P 1
2
- C17 H24 O -
- C17 H24 O -
- C68 H96 O4 -
4
2
MU0236
De Ridder, D. J. A.; Schenk, H.
Crystal studies of musk compounds. IV. Structure of 4-acetyl-6-<i>tert</i>-butyl-1,1-dimethylindan (musk celestolide)
Acta Crystallographica Section C
1,992
48
1
140
142
10.1107/S0108270191008211
1.54184
Cu
null
null
null
null
null
null
null
null
null
null
null
null
null
null
has coordinates
De Ridder, D. J. A.; Schenk, H. Crystal studies of musk compounds. IV. Structure of 4-acetyl-6-<i>tert</i>-butyl-1,1-dimethylindan (musk celestolide) Acta Crystallographica Section C 48(1) (1992) 140-142
301,791
2025-08-18
23:15:00
#------------------------------------------------------------------------------ #$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/2/00/11/2001109.cif $ #-------------------------------------------------------------------...
7,205,706
16.665
0.0005
16.665
0.0005
57.781
0.008
90
null
90
null
120
null
13,897
2
291
2
291
2
null
null
null
null
6
R -3 c :H
-R 3 2"c
167
- C27 H35 Cu4 I4 O S3 -
- C27 H34.98 Cu4 I4 O S3 -
- C324 H419.76 Cu48 I48 O12 S36 -
12
0.333333
Zhang, Jun; Xue, Yun-Shan; Li, Yi-Zhi; Du, Hong-Bin; You, Xiao-Zeng
Cuprous iodide coordination polymers (CuI)x(L)y·z(solvent) built on linear thioether linkers
CrystEngComm
2,011
13
7
2578
10.1039/c0ce00685h
0.71073
MoKα
0.0775
0.0481
null
null
0.1161
0.1226
null
null
null
null
null
1.005
null
null
has coordinates
Zhang, Jun; Xue, Yun-Shan; Li, Yi-Zhi; Du, Hong-Bin; You, Xiao-Zeng Cuprous iodide coordination polymers (CuI)x(L)y·z(solvent) built on linear thioether linkers CrystEngComm 13(7) (2011) 2578
180,388
2020-10-21
18:00:00
#------------------------------------------------------------------------------ #$Date: 2016-03-26 17:20:13 +0200 (Sat, 26 Mar 2016) $ #$Revision: 180388 $ #$URL: file:///home/coder/svn-repositories/_RELOADED_COD/cod-reloaded/cif/7/20/57/7205706.cif $ #-------------------------------------------------------------------...
2,001,110
13.978
0.01
9.638
0.008
6.338
0.011
90
null
90
null
90
null
853.9
1.8
null
null
null
null
null
null
null
null
4
P n a 21
null
- C6 H10 N4 O4 -
- C6 H10 N4 O4 -
- C24 H40 N16 O16 -
4
1
MU0225
Low, J. N.; Howie, R. A.; Hueso-Ureña, F.; Moreno-Carretero, M. N.
Structures of 6-amino-1,3-dimethyl-5-nitrosouracil monohydrate and 6-amino-5-formyl-1,3-dimethyluracil monohydrate
Acta Crystallographica Section C
1,992
48
1
145
147
10.1107/S010827019100820X
0.71069
Mo
null
null
null
null
null
null
null
null
null
null
null
null
null
null
has coordinates
Low, J. N.; Howie, R. A.; Hueso-Ureña, F.; Moreno-Carretero, M. N. Structures of 6-amino-1,3-dimethyl-5-nitrosouracil monohydrate and 6-amino-5-formyl-1,3-dimethyluracil monohydrate Acta Crystallographica Section C 48(1) (1992) 145-147
301,791
2025-08-18
23:15:00
#------------------------------------------------------------------------------ #$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/2/00/11/2001110.cif $ #-------------------------------------------------------------------...
2,001,111
15.557
0.011
7.562
0.011
16.972
0.013
90
null
116.69
0.05
90
null
1,784
3
null
null
null
null
null
null
null
null
4
C 1 2/c 1
-C 2yc
15
- C7 H11 N3 O4 -
- C7 H11 N3 O4 -
- C56 H88 N24 O32 -
8
1
MU0225
Low, J. N.; Howie, R. A.; Hueso-Ureña, F.; Moreno-Carretero, M. N.
Structures of 6-amino-1,3-dimethyl-5-nitrosouracil monohydrate and 6-amino-5-formyl-1,3-dimethyluracil monohydrate
Acta Crystallographica Section C
1,992
48
1
145
147
10.1107/S010827019100820X
0.71069
Mo
null
null
null
null
null
null
null
null
null
null
null
null
null
null
has coordinates
Low, J. N.; Howie, R. A.; Hueso-Ureña, F.; Moreno-Carretero, M. N. Structures of 6-amino-1,3-dimethyl-5-nitrosouracil monohydrate and 6-amino-5-formyl-1,3-dimethyluracil monohydrate Acta Crystallographica Section C 48(1) (1992) 145-147
301,791
2025-08-18
23:15:00
#------------------------------------------------------------------------------ #$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/2/00/11/2001111.cif $ #-------------------------------------------------------------------...
2,001,112
18.232
0.003
7.613
0.001
16.842
0.004
90
null
96.27
0.02
90
null
2,323.7
0.7
null
null
null
null
null
null
null
null
6
C 1 2/c 1
-C 2yc
null
- C16 H18 Cl2 Cu N8 O11 -
- C16 H20 Cl2 Cu N8 O11 -
- C64 H80 Cl8 Cu4 N32 O44 -
4
0.5
ST0503
Morgan, L. W.; Pennington, W. T.; Petersen, J. D.; Ruminski, R. R.; Bennett, D. W.; Rommel, J. S.
Structure of aquabis(2,2'-bipyrimidine-<i>N</i>,<i>N</i>')copper(II) perchlorate dihydrate
Acta Crystallographica Section C
1,992
48
1
163
165
10.1107/S0108270191004602
0.71073
Mo
null
null
null
null
null
null
null
null
null
null
null
null
null
null
has coordinates
Morgan, L. W.; Pennington, W. T.; Petersen, J. D.; Ruminski, R. R.; Bennett, D. W.; Rommel, J. S. Structure of aquabis(2,2'-bipyrimidine-<i>N</i>,<i>N</i>')copper(II) perchlorate dihydrate Acta Crystallographica Section C 48(1) (1992) 163-165
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/2/00/11/2001112.cif $ #-------------------------------------------------------------------...
7,205,705
24.998
0.006
8.734
0.002
22.402
0.006
90
null
101.507
0.002
90
null
4,793
2
291
2
291
2
null
null
null
null
7
C 1 2/c 1
-C 2yc
15
- C38 H49 Cu2 I2 N O S4 -
- C38 H49 Cu2 I2 N O S4 -
- C152 H196 Cu8 I8 N4 O4 S16 -
4
0.5
Zhang, Jun; Xue, Yun-Shan; Li, Yi-Zhi; Du, Hong-Bin; You, Xiao-Zeng
Cuprous iodide coordination polymers (CuI)x(L)y·z(solvent) built on linear thioether linkers
CrystEngComm
2,011
13
7
2578
10.1039/c0ce00685h
0.71073
MoKα
0.0701
0.0492
null
null
0.1013
0.1047
null
null
null
null
null
1.081
null
null
has coordinates
Zhang, Jun; Xue, Yun-Shan; Li, Yi-Zhi; Du, Hong-Bin; You, Xiao-Zeng Cuprous iodide coordination polymers (CuI)x(L)y·z(solvent) built on linear thioether linkers CrystEngComm 13(7) (2011) 2578
180,388
2020-10-21
18:00:00
#------------------------------------------------------------------------------ #$Date: 2016-03-26 17:20:13 +0200 (Sat, 26 Mar 2016) $ #$Revision: 180388 $ #$URL: file:///home/coder/svn-repositories/_RELOADED_COD/cod-reloaded/cif/7/20/57/7205705.cif $ #-------------------------------------------------------------------...
2,001,113
10.422
0.001
17.294
0.002
18.581
0.003
90
null
94.56
0.01
90
null
3,338.4
0.7
null
null
null
null
null
null
null
null
6
P 1 21/n 1
-P 2yn
14
- C30 H21 F15 Fe N6 P2 -
- C30 H23 F17 Fe N6 P2 -
- C120 H92 F68 Fe4 N24 P8 -
4
1
BR0002
Cho, C. K.; Secco, A. S.
Tris(4-fluoro-2,2'-bipyridyl)iron(II) hexafluorophosphate
Acta Crystallographica Section C
1,992
48
1
165
167
10.1107/S0108270191008788
0.71069
Mo
null
null
null
null
null
null
null
null
null
null
null
null
null
null
has coordinates
Cho, C. K.; Secco, A. S. Tris(4-fluoro-2,2'-bipyridyl)iron(II) hexafluorophosphate Acta Crystallographica Section C 48(1) (1992) 165-167
278,324
2022-10-03
14:41:53
#------------------------------------------------------------------------------ #$Date: 2022-10-03 17:40:12 +0300 (Mon, 03 Oct 2022) $ #$Revision: 278324 $ #$URL: file:///home/coder/svn-repositories/_RELOADED_COD/cod-reloaded/cif/2/00/11/2001113.cif $ #-------------------------------------------------------------------...
2,001,114
7.231
0.01
10.633
0.003
15.767
0.003
90
null
103.94
0.05
90
null
1,176.6
1.7
null
null
null
null
null
null
null
null
6
P 1 21/c 1
-P 2ybc
14
- C12 H24 Cl2 Cu N4 O14 -
- C12 H24 Cl2 Cu N4 O14 -
- C24 H48 Cl4 Cu2 N8 O28 -
2
0.5
MU0207
Delacruz, X.; Martínez-Balbás, A.; Tormo, J.; Verdaguer, N.
Structure of <i>trans</i>-diaquabis[(2-oxopyrrolidin-1-yl)acetamide]copper(II) perchlorate
Acta Crystallographica Section C
1,992
48
1
167
169
10.1107/S0108270191008971
0.71069
Mo
null
null
null
null
null
null
null
null
null
null
null
null
null
null
has coordinates
Delacruz, X.; Martínez-Balbás, A.; Tormo, J.; Verdaguer, N. Structure of <i>trans</i>-diaquabis[(2-oxopyrrolidin-1-yl)acetamide]copper(II) perchlorate Acta Crystallographica Section C 48(1) (1992) 167-169
208,377
2020-10-21
18:00:00
#------------------------------------------------------------------------------ #$Date: 2018-06-14 15:53:24 +0300 (Thu, 14 Jun 2018) $ #$Revision: 208377 $ #$URL: file:///home/coder/svn-repositories/_RELOADED_COD/cod-reloaded/cif/2/00/11/2001114.cif $ #-------------------------------------------------------------------...
2,001,115
9.764
0.002
10.185
0.002
19.885
0.003
80.03
0.01
87.87
0.01
61.94
0.01
1,716.5
0.6
null
null
null
null
null
null
null
null
7
P -1
-P 1
2
- C34 H49 N O3 P Rh S -
- C34 H49 N O3 P Rh S -
- C68 H98 N2 O6 P2 Rh2 S2 -
2
1
AB0215
Basson, S. S.; Leipoldt, J. G.; Purcell, W.; Lamprecht, G. J.; Preston, H.
Structure of carbonyl(4-methoxy-<i>N</i>-methylbenzothiohydroxamato-κ<i>O</i>,κ<i>S</i>)(tricyclohexylphosphine)rhodium(I) benzene solvate
Acta Crystallographica Section C
1,992
48
1
169
171
10.1107/S0108270191008405
0.71073
Mo
null
null
null
null
null
null
null
null
null
null
null
null
null
null
has coordinates
Basson, S. S.; Leipoldt, J. G.; Purcell, W.; Lamprecht, G. J.; Preston, H. Structure of carbonyl(4-methoxy-<i>N</i>-methylbenzothiohydroxamato-κ<i>O</i>,κ<i>S</i>)(tricyclohexylphosphine)rhodium(I) benzene solvate Acta Crystallographica Section C 48(1) (1992) 169-171
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/2/00/11/2001115.cif $ #-------------------------------------------------------------------...
2,001,116
11.99
0.001
6.195
0.001
20.906
0.003
90
null
92.857
0.01
90
null
1,550.9
0.4
null
null
null
null
null
null
null
null
6
P 1 21/c 1
-P 2ybc
null
- C12 H14 N2 O6 P Rh -
- C12 H14 N2 O6 P Rh -
- C48 H56 N8 O24 P4 Rh4 -
4
1
AB0217
Basson, S. S.; Leipoldt, J. G.; Purcell, W.; Venter, J. A.
Structure of carbonyl(<i>N</i>-hydroxy-<i>N</i>-nitrosobenzenaminato-<i>O</i>,<i>O</i>')(4-methyl-2,6,7-trioxa-1-phosphabicyclo[2.2.2]octane)rhodium(I)
Acta Crystallographica Section C
1,992
48
1
171
173
10.1107/S0108270191008223
0.71073
Mo
null
null
null
null
null
null
null
null
null
null
null
null
null
null
has coordinates
Basson, S. S.; Leipoldt, J. G.; Purcell, W.; Venter, J. A. Structure of carbonyl(<i>N</i>-hydroxy-<i>N</i>-nitrosobenzenaminato-<i>O</i>,<i>O</i>')(4-methyl-2,6,7-trioxa-1-phosphabicyclo[2.2.2]octane)rhodium(I) Acta Crystallographica Section C 48(1) (1992) 171-173
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/2/00/11/2001116.cif $ #-------------------------------------------------------------------...
7,205,704
11.1804
0.0009
17.3956
0.0014
25.706
0.002
107.456
0.001
90.016
0.002
95.251
0.001
4,747.3
0.7
291
2
291
2
null
null
null
null
5
P -1
-P 1
2
- C60 H84 Cu12 I12 S12 -
- C60 H84 Cu12 I12 S12 -
- C120 H168 Cu24 I24 S24 -
2
1
Zhang, Jun; Xue, Yun-Shan; Li, Yi-Zhi; Du, Hong-Bin; You, Xiao-Zeng
Cuprous iodide coordination polymers (CuI)x(L)y·z(solvent) built on linear thioether linkers
CrystEngComm
2,011
13
7
2578
10.1039/c0ce00685h
0.71073
MoKα
0.0804
0.0597
null
null
0.1428
0.1489
null
null
null
null
null
1.023
null
null
has coordinates
Zhang, Jun; Xue, Yun-Shan; Li, Yi-Zhi; Du, Hong-Bin; You, Xiao-Zeng Cuprous iodide coordination polymers (CuI)x(L)y·z(solvent) built on linear thioether linkers CrystEngComm 13(7) (2011) 2578
180,388
2020-10-21
18:00:00
#------------------------------------------------------------------------------ #$Date: 2016-03-26 17:20:13 +0200 (Sat, 26 Mar 2016) $ #$Revision: 180388 $ #$URL: file:///home/coder/svn-repositories/_RELOADED_COD/cod-reloaded/cif/7/20/57/7205704.cif $ #-------------------------------------------------------------------...
2,001,117
11.086
0.002
11.086
0.002
14.367
0.004
90
null
90
null
120
null
1,529.1
0.6
null
null
null
null
null
null
null
null
5
P 31
P 31
null
- C21 H30 Cl N2 O -
- C21 H29 Cl N2 O -
- C63 H87 Cl3 N6 O3 -
3
1
LI0074
McKenna, R.; Agbandje, M.; Neidle, S.
Structure of 9-amino-2,7-di-<i>tert</i>-butylacridine
Acta Crystallographica Section C
1,992
48
1
188
190
10.1107/S0108270191009113
1.54178
Cu
null
null
null
null
null
null
null
null
null
null
null
null
null
null
has coordinates
McKenna, R.; Agbandje, M.; Neidle, S. Structure of 9-amino-2,7-di-<i>tert</i>-butylacridine Acta Crystallographica Section C 48(1) (1992) 188-190
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/2/00/11/2001117.cif $ #-------------------------------------------------------------------...
2,001,118
10.167
0.004
11.092
0.002
10.278
0.004
90
null
115.22
0.02
90
null
1,048.6
0.6
null
null
null
null
null
null
null
null
3
P 1 21/n 1
-P 2yn
14
- C7 H10 S5 -
- C7 H10 S5 -
- C28 H40 S20 -
4
1
MU0255
Pickardt, J.; Kustos, M.; Steudel, R.
Structure of a norbornanepolysulfane: <i>exo</i>-3,4,5,6,7-pentathiatricyclo[7.2.1.0^2,8^]dodecane
Acta Crystallographica Section C
1,992
48
1
190
191
10.1107/S0108270191008715
0.71069
Mo
null
null
null
null
null
null
null
null
null
null
null
null
null
null
has coordinates
Pickardt, J.; Kustos, M.; Steudel, R. Structure of a norbornanepolysulfane: <i>exo</i>-3,4,5,6,7-pentathiatricyclo[7.2.1.0^2,8^]dodecane Acta Crystallographica Section C 48(1) (1992) 190-191
301,791
2025-08-18
23:15:00
#------------------------------------------------------------------------------ #$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/2/00/11/2001118.cif $ #-------------------------------------------------------------------...
2,001,119
8.403
0.004
5.405
0.003
33.005
0.016
90
null
91.07
0.04
90
null
1,498.8
1.3
null
null
null
null
null
null
null
null
4
P 1 21/a 1
-P 2yab
null
- C18 H18 N2 O2 -
- C18 H19 N2 O2 -
- C72 H76 N8 O8 -
4
1
AS0500
Ishida, T.; Negi, A.; In, Y.; Inoue, M.
Structure of <i>N</i>-(indol-3-ylethyl)-4-hydroxyphenylacetamide
Acta Crystallographica Section C
1,992
48
1
193
194
10.1107/S0108270191009599
1.5418
Cu
null
null
null
null
null
null
null
null
null
null
null
null
null
null
has coordinates
Ishida, T.; Negi, A.; In, Y.; Inoue, M. Structure of <i>N</i>-(indol-3-ylethyl)-4-hydroxyphenylacetamide Acta Crystallographica Section C 48(1) (1992) 193-194
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/2/00/11/2001119.cif $ #-------------------------------------------------------------------...
2,001,120
16.381
0.003
7.042
0.001
18.157
0.004
90
null
113.02
0.03
90
null
1,927.7
0.8
null
null
null
null
null
null
null
null
4
P 1 21/c 1
-P 2ybc
null
- C10 H8 N2 O4 -
- C10 H8 N2 O4 -
- C80 H64 N16 O32 -
8
2
CR0340
Kwiatkowski, W.; Karolak-Wojciechowska, J.
Structure of <i>m</i>-nitrophenylsuccinimide
Acta Crystallographica Section C
1,992
48
1
204
206
10.1107/S0108270191008843
1.54178
Cu
null
null
null
null
null
null
null
null
null
null
null
null
null
null
has coordinates
Kwiatkowski, W.; Karolak-Wojciechowska, J. Structure of <i>m</i>-nitrophenylsuccinimide Acta Crystallographica Section C 48(1) (1992) 204-206
301,791
2025-08-18
23:15:00
#------------------------------------------------------------------------------ #$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/2/00/11/2001120.cif $ #-------------------------------------------------------------------...
7,205,703
8.792
0.005
21.509
0.012
7.436
0.004
90
null
103.882
0.007
90
null
1,365.1
1.3
291
2
291
2
null
null
null
null
5
C 1 2/m 1
-C 2y
12
- C10 H14 Cu I S2 -
- C10 H14 Cu I S2 -
- C40 H56 Cu4 I4 S8 -
4
0.5
Zhang, Jun; Xue, Yun-Shan; Li, Yi-Zhi; Du, Hong-Bin; You, Xiao-Zeng
Cuprous iodide coordination polymers (CuI)x(L)y·z(solvent) built on linear thioether linkers
CrystEngComm
2,011
13
7
2578
10.1039/c0ce00685h
0.71073
MoKα
0.0649
0.0516
null
null
0.1233
0.1266
null
null
null
null
null
1.05
null
null
has coordinates
Zhang, Jun; Xue, Yun-Shan; Li, Yi-Zhi; Du, Hong-Bin; You, Xiao-Zeng Cuprous iodide coordination polymers (CuI)x(L)y·z(solvent) built on linear thioether linkers CrystEngComm 13(7) (2011) 2578
180,388
2020-10-21
18:00:00
#------------------------------------------------------------------------------ #$Date: 2016-03-26 17:20:13 +0200 (Sat, 26 Mar 2016) $ #$Revision: 180388 $ #$URL: file:///home/coder/svn-repositories/_RELOADED_COD/cod-reloaded/cif/7/20/57/7205703.cif $ #-------------------------------------------------------------------...
2,001,121
7.145
0.008
10.866
0.005
11.006
0.006
90
null
107.53
0.06
90
null
814.8
1.1
null
null
null
null
null
null
null
null
3
P 1 21/c 1
-P 2ybc
null
- C9 H7 N3 -
- C9 H10 N3 -
- C36 H40 N12 -
4
1
HE0024
Alvarez-Larena, A.; Piniella, J. F.; Borrell, J. I.; Vidal-Ferran, A.; Victory, P.; Germain, G.
Structure of 2-amino-5-methylisophthalonitrile
Acta Crystallographica Section C
1,992
48
1
208
209
10.1107/S010827019100865X
0.71069
Mo
null
null
null
null
null
null
null
null
null
null
null
null
null
null
has coordinates
Alvarez-Larena, A.; Piniella, J. F.; Borrell, J. I.; Vidal-Ferran, A.; Victory, P.; Germain, G. Structure of 2-amino-5-methylisophthalonitrile Acta Crystallographica Section C 48(1) (1992) 208-209
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/2/00/11/2001121.cif $ #-------------------------------------------------------------------...
2,001,122
8.331
0.004
24.066
0.008
5.663
0.002
90
null
90
null
90
null
1,135.4
0.8
null
null
null
null
null
null
null
null
4
P 21 21 21
P 2ac 2ab
null
- C14 H13 N O -
- C14 H13 N O -
- C56 H52 N4 O4 -
4
1
MU0212
Su, G.; Guo, S.; Pan, F.; He, Y.
Structure of 4-amino-4'-methylbenzophenone
Acta Crystallographica Section C
1,992
48
1
210
211
10.1107/S0108270191008983
0.71069
Mo
null
null
null
null
null
null
null
null
null
null
null
null
null
null
has coordinates
Su, G.; Guo, S.; Pan, F.; He, Y. Structure of 4-amino-4'-methylbenzophenone Acta Crystallographica Section C 48(1) (1992) 210-211
301,791
2025-08-18
23:15:00
#------------------------------------------------------------------------------ #$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/2/00/11/2001122.cif $ #-------------------------------------------------------------------...
2,001,123
13.525
0.007
7.549
0.004
13.646
0.007
90
null
90.02
0.04
90
null
1,393.3
1.3
null
null
null
null
null
null
null
null
3
P 1 21 1
P 2yb
4
- C15 H22 O4 -
- C15 H22 O4 -
- C60 H88 O16 -
4
2
ST0527
Baures, P. W.; Sun, K.-L.; Chan, J. A.; Eggleston, D. S.
Structure of hymenoratin
Acta Crystallographica Section C
1,992
48
1
211
213
10.1107/S0108270191008867
0.7093
Mo
null
null
null
null
null
null
null
null
null
null
null
null
null
null
has coordinates
Baures, P. W.; Sun, K.-L.; Chan, J. A.; Eggleston, D. S. Structure of hymenoratin Acta Crystallographica Section C 48(1) (1992) 211-213
301,791
2025-08-18
23:15:00
#------------------------------------------------------------------------------ #$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/2/00/11/2001123.cif $ #-------------------------------------------------------------------...
2,001,124
5.206
0.002
17.294
0.004
10.972
0.002
90
null
98.91
0.01
90
null
975.9
0.5
null
null
null
null
null
null
null
null
4
P 1 21 1
P 2yb
4
- C21 H25 N O4 -
- C21 H N O4 -
- C42 H2 N2 O8 -
2
1
MU0261
Gikas, M.; Agelis, G.; Matsoukas, J.; Moore, G. J.; Dupont, L.; Englebert, S.
Structure of <i>N</i>-<i>tert</i>-butoxycarbonyl-<small>L</small>-phenylalanine benzyl ester
Acta Crystallographica Section C
1,992
48
1
216
217
10.1107/S0108270191007771
1.5418
Cu
null
null
null
null
null
null
null
null
null
null
null
null
null
null
has coordinates
Gikas, M.; Agelis, G.; Matsoukas, J.; Moore, G. J.; Dupont, L.; Englebert, S. Structure of <i>N</i>-<i>tert</i>-butoxycarbonyl-<small>L</small>-phenylalanine benzyl ester Acta Crystallographica Section C 48(1) (1992) 216-217
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/2/00/11/2001124.cif $ #-------------------------------------------------------------------...
2,001,125
14.662
0.004
10.79
0.002
7.749
0.002
90
null
104.55
0.02
90
null
1,186.6
0.5
293
1
293
1
null
null
null
null
4
P 1 21/c 1
-P 2ybc
14
2-(4-Nitrophenyl)-1-phenylethanone
- C14 H11 N O3 -
- C14 H11 N O3 -
- C56 H44 N4 O12 -
4
1
AL1007
Preut, H.; Kolev, T.; Bleckmann, P.; Juchnovski, I.
Structure of 2-(4-nitrophenyl)-1-phenylethanone
Acta Crystallographica Section C
1,992
48
6
1154
1155
10.1107/S010827019200310X
0.71073
MoKα
null
0.044
null
null
0.048
null
null
null
null
1.21
1.21
null
null
null
has coordinates
Preut, H.; Kolev, T.; Bleckmann, P.; Juchnovski, I. Structure of 2-(4-nitrophenyl)-1-phenylethanone Acta Crystallographica Section C 48(6) (1992) 1154-1155
301,791
2025-08-18
23:15:00
#------------------------------------------------------------------------------ #$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/2/00/11/2001125.cif $ #-------------------------------------------------------------------...
2,001,126
8.9319
0.0006
5.7057
0.0006
12.465
0.002
90
null
110.7
0.01
90
null
594.24
0.13
null
null
null
null
null
null
null
null
6
P 1 21 1
P 2yb
4
- C9 H11 Cl Hg N2 O5 -
- C9 H9 Cl Hg N2 O5 -
- C18 H18 Cl2 Hg2 N4 O10 -
2
1
GR1008
Toma, P. H.; Dalla Riva Toma, J. M.; Bergstrom, D. E.
Structure of 5-chloromercurio-2'-deoxyuridine
Acta Crystallographica Section C
1,993
49
12
2047
2049
10.1107/S0108270193007565
1.54184
Cu
null
null
null
null
null
null
null
null
null
null
null
null
null
null
has coordinates
Toma, P. H.; Dalla Riva Toma, J. M.; Bergstrom, D. E. Structure of 5-chloromercurio-2'-deoxyuridine Acta Crystallographica Section C 49(12) (1993) 2047-2049
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/2/00/11/2001126.cif $ #-------------------------------------------------------------------...
7,205,702
7.7464
0.0005
10.6554
0.0008
25.6955
0.0019
88.419
0.004
88.034
0.004
77.623
0.004
2,070
0.3
293
2
293
2
null
null
null
null
5
P -1
-P 1
2
- C38 H28 Cd2 N8 O17 -
- C38 H24 Cd2 N7.65 O16.3 -
- C76 H48 Cd4 N15.3 O32.6 -
2
1
Li, Baiyan; Zhang, Yiming; Li, Guanghua; Liu, Dan; Chen, Yan; Hu, Weiwei; Shi, Zhan; Feng, Shouhua
Design and construction of coordination polymers by 2,2′-dinitro-4,4′-biphenyldicarboxylate and imidazole-based ligands: diverse structures based on different metal ions
CrystEngComm
2,011
13
7
2457
10.1039/c0ce00682c
0.71073
MoKα
0.1393
0.0649
null
null
0.137
0.1642
null
null
null
null
null
0.912
null
null
has coordinates,has disorder
Li, Baiyan; Zhang, Yiming; Li, Guanghua; Liu, Dan; Chen, Yan; Hu, Weiwei; Shi, Zhan; Feng, Shouhua Design and construction of coordination polymers by 2,2′-dinitro-4,4′-biphenyldicarboxylate and imidazole-based ligands: diverse structures based on different metal ions CrystEngComm 13(7) (2011) 2457
180,388
2020-10-21
18:00:00
#------------------------------------------------------------------------------ #$Date: 2016-03-26 17:20:13 +0200 (Sat, 26 Mar 2016) $ #$Revision: 180388 $ #$URL: file:///home/coder/svn-repositories/_RELOADED_COD/cod-reloaded/cif/7/20/57/7205702.cif $ #-------------------------------------------------------------------...
2,001,127
9.285
0.006
5.373
0.002
11.981
0.006
90
null
112.09
0.04
90
null
553.8
0.5
null
null
null
null
null
null
null
null
2
P 1 21/c 1
-P 2ybc
null
- C14 H18 -
- C14 H18 -
- C28 H36 -
2
0.5
HU1011
Yufit, D. S.; Struchkov, Yu. T.; Lukin, K. A.; Kozhushkov, S. I.; Zefirov, N. S.
Structure of 1,2-bis(spiro[2.3]hex-4-ene-4-yl)ethane
Acta Crystallographica Section C
1,993
49
12
2049
2051
10.1107/S0108270192012800
0.71073
Mo
null
null
null
null
null
null
null
null
null
null
null
null
null
null
has coordinates
Yufit, D. S.; Struchkov, Yu. T.; Lukin, K. A.; Kozhushkov, S. I.; Zefirov, N. S. Structure of 1,2-bis(spiro[2.3]hex-4-ene-4-yl)ethane Acta Crystallographica Section C 49(12) (1993) 2049-2051
301,791
2025-08-18
23:15:00
#------------------------------------------------------------------------------ #$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/2/00/11/2001127.cif $ #-------------------------------------------------------------------...
2,001,128
4.4204
0.0005
9.136
0.001
11.762
0.002
101.61
0.01
96.2
0.01
92.28
0.01
461.64
0.11
null
null
null
null
null
null
null
null
2
P -1
-P 1
2
- C3 S8 -
- C3 S8 -
- C6 S16 -
2
1
VS1006
Baumer, V. N.; Starodub, V. A.; Batulin, V. P.; Lakin, E. E.; Kuznetsov, V. P.; Dyachenko, O. A.
Structure of 4,5-(pentasulfane-1,5-diyl)-1,3-dithiole-2-thione
Acta Crystallographica Section C
1,993
49
12
2051
2053
10.1107/S0108270193004184
0.71069
Mo
null
null
null
null
null
null
null
null
null
null
null
null
null
null
has coordinates
Baumer, V. N.; Starodub, V. A.; Batulin, V. P.; Lakin, E. E.; Kuznetsov, V. P.; Dyachenko, O. A. Structure of 4,5-(pentasulfane-1,5-diyl)-1,3-dithiole-2-thione Acta Crystallographica Section C 49(12) (1993) 2051-2053
301,791
2025-08-18
23:15:00
#------------------------------------------------------------------------------ #$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/2/00/11/2001128.cif $ #-------------------------------------------------------------------...
2,001,129
5.164
0.001
5.164
0.001
10.741
0.002
90
null
90
null
90
null
286.43
0.09
null
null
null
null
null
null
null
null
3
I 41/a :2
-I 4ad
88
- F4 Li Y -
- F4 Li Y -
- F16 Li4 Y4 -
4
0.25
HH0619
Garcia, E.; Ryan, R. R.
Structure of the laser host material LiYF~4~
Acta Crystallographica Section C
1,993
49
12
2053
2054
10.1107/S0108270193005876
0.7107
Mo
null
null
null
null
null
null
null
null
null
null
null
null
null
null
has coordinates
Garcia, E.; Ryan, R. R. Structure of the laser host material LiYF~4~ Acta Crystallographica Section C 49(12) (1993) 2053-2054
203,896
2020-10-21
18:00:00
#------------------------------------------------------------------------------ #$Date: 2017-12-03 06:00:29 +0200 (Sun, 03 Dec 2017) $ #$Revision: 203896 $ #$URL: file:///home/coder/svn-repositories/_RELOADED_COD/cod-reloaded/cif/2/00/11/2001129.cif $ #-------------------------------------------------------------------...
2,001,130
10.0636
0.0017
10.405
0.002
11.9671
0.0015
96.552
0.015
108.031
0.011
90.498
0.014
1,182.5
0.3
null
null
null
null
null
null
null
null
4
P -1
-P 1
2
- C11 H14 N2 O6 -
- C11 H14 N2 O6 -
- C44 H56 N8 O24 -
4
2
CD1029
Hambalek, R. J.; Hynes, R. C.; Just, G.
Structure of (±)-<i>exo</i>-4'-hydroxy-<i>exo</i>-6'-hydroxymethyl-<i>endo</i>-3'-thymin-1-yl-2',7'-dioxabicyclo[3.2.0]heptane
Acta Crystallographica Section C
1,993
49
12
2055
2056
10.1107/S0108270193004962
1.54056
Cu
null
null
null
null
null
null
null
null
null
null
null
null
null
null
has coordinates
Hambalek, R. J.; Hynes, R. C.; Just, G. Structure of (±)-<i>exo</i>-4'-hydroxy-<i>exo</i>-6'-hydroxymethyl-<i>endo</i>-3'-thymin-1-yl-2',7'-dioxabicyclo[3.2.0]heptane Acta Crystallographica Section C 49(12) (1993) 2055-2056
301,791
2025-08-18
23:15:00
#------------------------------------------------------------------------------ #$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/2/00/11/2001130.cif $ #-------------------------------------------------------------------...
2,001,131
9.188
0.001
3.717
0.001
13.839
0.001
90
null
90
null
90
null
472.63
0.14
295
null
295
null
null
null
null
null
3
P n m a
-P 2ac 2n
62
tinzirconiumtrisulfide
- S3 Sn Zr -
- S3 Sn Zr -
- S12 Sn4 Zr4 -
4
0.5
AB1082
Meetsma, A.; Wiegers, G. A.; de Boer, J. L.
Structure determination of SnZrS~3~
Acta Crystallographica Section C
1,993
49
12
2060
2062
10.1107/S0108270193005888
0.71073
MoKα
null
0.038
null
null
0.031
null
null
null
null
2.19
2.19
null
null
null
has coordinates
Meetsma, A.; Wiegers, G. A.; de Boer, J. L. Structure determination of SnZrS~3~ Acta Crystallographica Section C 49(12) (1993) 2060-2062
207,947
2020-10-21
18:00:00
#------------------------------------------------------------------------------ #$Date: 2018-05-24 05:31:50 +0300 (Thu, 24 May 2018) $ #$Revision: 207947 $ #$URL: file:///home/coder/svn-repositories/_RELOADED_COD/cod-reloaded/cif/2/00/11/2001131.cif $ #-------------------------------------------------------------------...
2,001,132
6.6858
0.0008
6.6858
0.0008
24.147
0.003
90
null
90
null
90
null
1,079.4
0.4
294
null
null
null
null
null
null
null
3
P 41
P 4w
76
- Ca2 O7 P2 -
- Ca2 O7 P2 -
- Ca16 O56 P16 -
8
2
DU1046
Boudin, S.; Grandin, A.; Borel, M. M.; Leclaire, A.; Raveau, B.
Redetermination of the β-Ca~2~P~2~O~7~ structure
Acta Crystallographica Section C
1,993
49
12
2062
2064
10.1107/S0108270193005608
0.71073
MoKᾱ
null
0.031
null
null
0.034
null
null
null
null
1.001
1.001
null
null
null
has coordinates
Boudin, S.; Grandin, A.; Borel, M. M.; Leclaire, A.; Raveau, B. Redetermination of the β-Ca~2~P~2~O~7~ structure Acta Crystallographica Section C 49(12) (1993) 2062-2064
176,432
2020-10-21
18:00:00
#------------------------------------------------------------------------------ #$Date: 2016-02-14 06:40:26 +0200 (Sun, 14 Feb 2016) $ #$Revision: 176432 $ #$URL: file:///home/coder/svn-repositories/_RELOADED_COD/cod-reloaded/cif/2/00/11/2001132.cif $ #-------------------------------------------------------------------...
7,205,701
19.237
0.004
7.5997
0.0015
26.035
0.005
90
null
90
null
90
null
3,806.2
1.3
293
2
293
2
null
null
null
null
5
P b c a
-P 2ac 2ab
61
- C38 H26 N8 O16 Zn2 -
- C38 H26 N8 O16 Zn2 -
- C152 H104 N32 O64 Zn8 -
4
0.5
Li, Baiyan; Zhang, Yiming; Li, Guanghua; Liu, Dan; Chen, Yan; Hu, Weiwei; Shi, Zhan; Feng, Shouhua
Design and construction of coordination polymers by 2,2′-dinitro-4,4′-biphenyldicarboxylate and imidazole-based ligands: diverse structures based on different metal ions
CrystEngComm
2,011
13
7
2457
10.1039/c0ce00682c
0.71073
MoKα
0.0715
0.0476
null
null
0.0941
0.1019
null
null
null
null
null
1.037
null
null
has coordinates
Li, Baiyan; Zhang, Yiming; Li, Guanghua; Liu, Dan; Chen, Yan; Hu, Weiwei; Shi, Zhan; Feng, Shouhua Design and construction of coordination polymers by 2,2′-dinitro-4,4′-biphenyldicarboxylate and imidazole-based ligands: diverse structures based on different metal ions CrystEngComm 13(7) (2011) 2457
180,388
2020-10-21
18:00:00
#------------------------------------------------------------------------------ #$Date: 2016-03-26 17:20:13 +0200 (Sat, 26 Mar 2016) $ #$Revision: 180388 $ #$URL: file:///home/coder/svn-repositories/_RELOADED_COD/cod-reloaded/cif/7/20/57/7205701.cif $ #-------------------------------------------------------------------...
2,001,133
11.485
0.003
6.549
0.002
15.774
0.007
90
null
103.72
0.03
90
null
1,152.6
0.7
293
null
null
null
null
null
null
null
5
P 1 21/c 1
-P 2ybc
null
- Cl5 H15 N4 O Pt -
- Cl5 H15 N4 O Pt -
- Cl20 H60 N16 O4 Pt4 -
4
1
PA1046
Balde, L.; Khodadad, P.; Rodier, N.; Julien, R.
Chlorure de triamminetrichloroplatine(IV) chlorure d'ammonium monohydrate
Acta Crystallographica Section C
1,993
49
12
2064
2065
10.1107/S0108270193005165
0.7107
MoKᾱ
null
0.048
null
null
0.057
null
null
null
null
1.87
1.87
null
null
null
has coordinates
Balde, L.; Khodadad, P.; Rodier, N.; Julien, R. Chlorure de triamminetrichloroplatine(IV) chlorure d'ammonium monohydrate Acta Crystallographica Section C 49(12) (1993) 2064-2065
187,340
2020-10-21
18:00:00
#------------------------------------------------------------------------------ #$Date: 2016-10-14 14:37:28 +0300 (Fri, 14 Oct 2016) $ #$Revision: 187340 $ #$URL: file:///home/coder/svn-repositories/_RELOADED_COD/cod-reloaded/cif/2/00/11/2001133.cif $ #-------------------------------------------------------------------...
2,001,134
16.563
0.002
8.111
0.001
9.458
0.002
90
null
90
null
90
null
1,270.6
0.3
294
null
null
null
null
null
null
null
5
P n m a
-P 2ac 2n
62
- Cl5 H15 Ir N5 Pt -
- Cl5 H15 Ir N5 Pt -
- Cl20 H60 Ir4 N20 Pt4 -
4
0.5
DU1026
Garnier, E.; Bele, M.
Structure of pentaamminechloroiridium(III) tetrachloroplatinate(II)
Acta Crystallographica Section C
1,993
49
12
2066
2067
10.1107/S0108270193005037
0.71069
MoKα
null
0.0282
null
null
0.0302
null
null
null
null
1.537
1.537
null
null
null
has coordinates
Garnier, E.; Bele, M. Structure of pentaamminechloroiridium(III) tetrachloroplatinate(II) Acta Crystallographica Section C 49(12) (1993) 2066-2067
278,244
2022-09-28
13:56:22
#------------------------------------------------------------------------------ #$Date: 2022-09-28 16:56:03 +0300 (Wed, 28 Sep 2022) $ #$Revision: 278244 $ #$URL: file:///home/coder/svn-repositories/_RELOADED_COD/cod-reloaded/cif/2/00/11/2001134.cif $ #-------------------------------------------------------------------...
2,001,135
8.39
0.001
15.585
0.001
13.058
0.001
90
null
92.22
0.01
90
null
1,706.2
0.3
294
null
null
null
null
null
null
null
5
P 1 21/n 1
-P 2yn
14
- C12 H12 Cu N8 O6 -
- C12 H12 Cu N8 O10 -
- C48 H48 Cu4 N32 O40 -
4
1
CD1045
Otieno, T.; Rettig, S. J.; Thompson, R. C.; Trotter, J.
Structure of (nitrato-<i>O</i>)(nitrato-<i>O</i>,<i>O</i>')tris(pyridazine-<i>N</i>)copper(II)
Acta Crystallographica Section C
1,993
49
12
2067
2070
10.1107/S0108270193004986
1.54178
CuKα
null
0.036
null
null
0.038
null
null
null
null
2.83
2.83
null
null
null
has coordinates
Otieno, T.; Rettig, S. J.; Thompson, R. C.; Trotter, J. Structure of (nitrato-<i>O</i>)(nitrato-<i>O</i>,<i>O</i>')tris(pyridazine-<i>N</i>)copper(II) Acta Crystallographica Section C 49(12) (1993) 2067-2070
278,324
2022-10-03
14:41:53
#------------------------------------------------------------------------------ #$Date: 2022-10-03 17:40:12 +0300 (Mon, 03 Oct 2022) $ #$Revision: 278324 $ #$URL: file:///home/coder/svn-repositories/_RELOADED_COD/cod-reloaded/cif/2/00/11/2001135.cif $ #-------------------------------------------------------------------...
2,001,136
12.756
0.002
14.451
0.002
9.805
0.001
90
null
105.69
0.01
90
null
1,740.1
0.4
297
2
null
null
null
null
null
null
5
P 1 21/c 1
-P 2ybc
14
- C18 H16 Cu2 N2 O5 -
- C18 H16 Cu2 N2 O5 -
- C72 H64 Cu8 N8 O20 -
4
1
OH1028
Kawata, T.; Ohba, S.; Nishida, Y.; Tokii, T.
Structure of a binuclear copper(II) complex with both μ-alkoxo and μ-formato bridges, [Cu~2~(C~17~H~15~N~2~O~3~)(HCOO)]
Acta Crystallographica Section C
1,993
49
12
2070
2072
10.1107/S0108270193004779
0.71073
MoKα
null
0.047
null
null
0.046
null
null
null
null
4.65
4.65
null
null
null
has coordinates
Kawata, T.; Ohba, S.; Nishida, Y.; Tokii, T. Structure of a binuclear copper(II) complex with both μ-alkoxo and μ-formato bridges, [Cu~2~(C~17~H~15~N~2~O~3~)(HCOO)] Acta Crystallographica Section C 49(12) (1993) 2070-2072
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/2/00/11/2001136.cif $ #-------------------------------------------------------------------...
2,001,137
14.297
0.005
13.078
0.003
30.301
0.006
90
null
92.8
0.02
90
null
5,659
3
293
null
null
null
null
null
null
null
5
P 1 21/n 1
-P 2yn
14
- C54 H87 B P4 Pt2 -
- C56 H92 B P4 Pt2 -
- C224 H368 B4 P16 Pt8 -
4
1
NA1031
Bachechi, F.; Mura, P.; Zambonelli, L.
Structure of the monohydrido bridged dinuclear platinum(II) dihydrate [(PEt~3~)~2~PhPt(μ-H)PtH(PEt~3~)~2~][BPh~4~]
Acta Crystallographica Section C
1,993
49
12
2072
2074
10.1107/S0108270193005220
1.54178
CuKα
null
0.059
null
null
0.066
null
null
null
null
7.03
7.03
null
null
null
has coordinates
Bachechi, F.; Mura, P.; Zambonelli, L. Structure of the monohydrido bridged dinuclear platinum(II) dihydrate [(PEt~3~)~2~PhPt(μ-H)PtH(PEt~3~)~2~][BPh~4~] Acta Crystallographica Section C 49(12) (1993) 2072-2074
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/2/00/11/2001137.cif $ #-------------------------------------------------------------------...
2,001,138
21.143
0.011
17.911
0.002
20.415
0.003
90
null
107.83
0.02
90
null
7,360
4
295
1
null
null
null
null
null
null
5
P 1 21/c 1
-P 2ybc
null
- C22 H32 Cl2 P2 W -
- C22 H32 Cl2 P2 W -
- C264 H384 Cl24 P24 W12 -
12
3
HL1028
Clark, G. R.; Nielson, A. J.; Rickard, C. E. F.; Rae, A. D.
The faulted structures of [WCl~2~(PhC~2~Ph)(CH~2~=CH~2~)(PMe~3~)~2~] and [WCl~2~(PhC~2~Ph)~2~(PMe~3~)~2~]
Acta Crystallographica Section C
1,993
49
12
2074
2079
10.1107/S0108270193005402
0.71069
MoKα
null
0.048
null
null
0.061
null
null
null
null
1.35
1.35
null
null
null
has coordinates
Clark, G. R.; Nielson, A. J.; Rickard, C. E. F.; Rae, A. D. The faulted structures of [WCl~2~(PhC~2~Ph)(CH~2~=CH~2~)(PMe~3~)~2~] and [WCl~2~(PhC~2~Ph)~2~(PMe~3~)~2~] Acta Crystallographica Section C 49(12) (1993) 2074-2079
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/2/00/11/2001138.cif $ #-------------------------------------------------------------------...
7,205,700
8.2565
0.0017
10.422
0.002
23.99
0.005
90
null
96.68
0.03
90
null
2,050.3
0.7
293
2
293
2
null
null
null
null
5
P 1 21/c 1
-P 2ybc
14
- C38 H28 Cu3 N8 O18 -
- C38 H28 Cu3 N8 O18 -
- C76 H56 Cu6 N16 O36 -
2
0.5
Li, Baiyan; Zhang, Yiming; Li, Guanghua; Liu, Dan; Chen, Yan; Hu, Weiwei; Shi, Zhan; Feng, Shouhua
Design and construction of coordination polymers by 2,2′-dinitro-4,4′-biphenyldicarboxylate and imidazole-based ligands: diverse structures based on different metal ions
CrystEngComm
2,011
13
7
2457
10.1039/c0ce00682c
0.71073
MoKα
0.0937
0.0603
null
null
0.1484
0.164
null
null
null
null
null
1.034
null
null
has coordinates
Li, Baiyan; Zhang, Yiming; Li, Guanghua; Liu, Dan; Chen, Yan; Hu, Weiwei; Shi, Zhan; Feng, Shouhua Design and construction of coordination polymers by 2,2′-dinitro-4,4′-biphenyldicarboxylate and imidazole-based ligands: diverse structures based on different metal ions CrystEngComm 13(7) (2011) 2457
180,388
2020-10-21
18:00:00
#------------------------------------------------------------------------------ #$Date: 2016-03-26 17:20:13 +0200 (Sat, 26 Mar 2016) $ #$Revision: 180388 $ #$URL: file:///home/coder/svn-repositories/_RELOADED_COD/cod-reloaded/cif/7/20/57/7205700.cif $ #-------------------------------------------------------------------...
2,001,139
12.208
0.002
12.27
0.002
21.498
0.006
90
null
94.81
0.02
90
null
3,208.9
1.2
295
1
null
null
null
null
null
null
5
P 1 21/c 1
-P 2ybc
null
- C34 H38 Cl2 P2 W -
- C34 H38 Cl2 P2 W -
- C136 H152 Cl8 P8 W4 -
4
1
HL1028
Clark, G. R.; Nielson, A. J.; Rickard, C. E. F.; Rae, A. D.
The faulted structures of [WCl~2~(PhC~2~Ph)(CH~2~=CH~2~)(PMe~3~)~2~] and [WCl~2~(PhC~2~Ph)~2~(PMe~3~)~2~]
Acta Crystallographica Section C
1,993
49
12
2074
2079
10.1107/S0108270193005402
0.71069
MoKα_Zr_filter
null
0.028
null
null
0.033
null
null
null
null
1.04
1.04
null
null
null
has coordinates
Clark, G. R.; Nielson, A. J.; Rickard, C. E. F.; Rae, A. D. The faulted structures of [WCl~2~(PhC~2~Ph)(CH~2~=CH~2~)(PMe~3~)~2~] and [WCl~2~(PhC~2~Ph)~2~(PMe~3~)~2~] Acta Crystallographica Section C 49(12) (1993) 2074-2079
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/2/00/11/2001139.cif $ #-------------------------------------------------------------------...
2,001,140
9.355
0.002
14.678
0.002
14.685
0.004
101.82
0.02
93.01
0.02
108.36
0.02
1,858.3
0.8
298
null
null
null
null
null
null
null
6
P -1
-P 1
2
- C18 H17 Cl2 O P Pt -
- C18 H17 Cl2 O P Pt -
- C72 H68 Cl8 O4 P4 Pt4 -
4
2
ST1054
Rath, N. P.; Fallis, K. A.; Anderson, G. K.
Structure of <i>trans</i>-aquadichloro(triphenylphosphine)platinum(II)
Acta Crystallographica Section C
1,993
49
12
2079
2081
10.1107/S0108270193005189
0.71073
MoKα
null
0.0713
null
null
0.0884
null
null
null
null
1.09
1.09
null
null
null
has coordinates
Rath, N. P.; Fallis, K. A.; Anderson, G. K. Structure of <i>trans</i>-aquadichloro(triphenylphosphine)platinum(II) Acta Crystallographica Section C 49(12) (1993) 2079-2081
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/2/00/11/2001140.cif $ #-------------------------------------------------------------------...
2,001,141
11.634
0.002
12.172
0.001
10.056
0.002
114.099
0.009
115.05
0.01
92.81
0.01
1,134.4
0.4
296.1
null
23
null
null
null
null
null
6
P -1
-P 1
2
- C32 H56 Cr2 N4 O12 P4 -
- C32 H56 Cr2 N4 O12 P4 -
- C32 H56 Cr2 N4 O12 P4 -
1
0.5
BR1030
Jasinski, J. P.; Pozdniakov, R. Y.; Wong, E. H.
Structure of a dichromium octacarbonyl complex of cyclotetrakis[bis(diisopropylamino)phosphoxane]
Acta Crystallographica Section C
1,993
49
12
2081
2083
10.1107/S0108270193004111
0.7107
MoKα
null
0.0423
null
null
0.0518
null
null
null
null
2.239
2.239
null
null
null
has coordinates
Jasinski, J. P.; Pozdniakov, R. Y.; Wong, E. H. Structure of a dichromium octacarbonyl complex of cyclotetrakis[bis(diisopropylamino)phosphoxane] Acta Crystallographica Section C 49(12) (1993) 2081-2083
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/2/00/11/2001141.cif $ #-------------------------------------------------------------------...
2,001,142
7.576
0.003
8.212
0.002
11.242
0.005
86.84
0.03
74.62
0.03
85.38
0.05
671.8
0.4
298
null
null
null
null
null
null
null
5
P -1
-P 1
2
- C24 H26 N6 O8 Rh2 -
- C24 H26 N6 O8 Rh2 -
- C24 H26 N6 O8 Rh2 -
1
0.5
DU1036
Viossat, B.; Dung, Nguyen-Huy; Daran, J. C.; Lancelot, J. C.
Complexe entre un carboxylate de rhodium(II) et un dérivé de la pyrazine: synthèse et structure de tétrakis(μ-acétato)bis[2-(1-pyrrolyle)pyrazine]dirhodium(II)
Acta Crystallographica Section C
1,993
49
12
2084
2086
10.1107/S0108270193005049
0.71069
MoKα
null
null
null
null
null
null
null
null
null
2.1
2.1
null
null
null
has coordinates
Viossat, B.; Dung, Nguyen-Huy; Daran, J. C.; Lancelot, J. C. Complexe entre un carboxylate de rhodium(II) et un dérivé de la pyrazine: synthèse et structure de tétrakis(μ-acétato)bis[2-(1-pyrrolyle)pyrazine]dirhodium(II) Acta Crystallographica Section C 49(12) (1993) 2084-2086
301,791
2025-08-18
23:15:00
#------------------------------------------------------------------------------ #$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/2/00/11/2001142.cif $ #-------------------------------------------------------------------...
7,205,699
12.7703
0.0007
14.1255
0.0008
15.8443
0.0009
116.321
0.003
90.408
0.004
111.164
0.003
2,340.7
0.3
293
2
293
2
null
null
null
null
5
P -1
-P 1
2
- C43 H37 N10 Ni2 O18 -
- C43 H33 N10 Ni2 O18 -
- C86 H66 N20 Ni4 O36 -
2
1
Li, Baiyan; Zhang, Yiming; Li, Guanghua; Liu, Dan; Chen, Yan; Hu, Weiwei; Shi, Zhan; Feng, Shouhua
Design and construction of coordination polymers by 2,2′-dinitro-4,4′-biphenyldicarboxylate and imidazole-based ligands: diverse structures based on different metal ions
CrystEngComm
2,011
13
7
2457
10.1039/c0ce00682c
0.71073
MoKα
0.1323
0.0658
null
null
0.1673
0.1989
null
null
null
null
null
0.936
null
null
has coordinates,has disorder
Li, Baiyan; Zhang, Yiming; Li, Guanghua; Liu, Dan; Chen, Yan; Hu, Weiwei; Shi, Zhan; Feng, Shouhua Design and construction of coordination polymers by 2,2′-dinitro-4,4′-biphenyldicarboxylate and imidazole-based ligands: diverse structures based on different metal ions CrystEngComm 13(7) (2011) 2457
180,387
2020-10-21
18:00:00
#------------------------------------------------------------------------------ #$Date: 2016-03-26 17:19:08 +0200 (Sat, 26 Mar 2016) $ #$Revision: 180387 $ #$URL: file:///home/coder/svn-repositories/_RELOADED_COD/cod-reloaded/cif/7/20/56/7205699.cif $ #-------------------------------------------------------------------...
2,001,143
13.003
0.003
13.639
0.004
9.861
0.002
110.26
0.02
100.94
0.02
109.35
0.02
1,453.5
0.8
294
null
null
null
null
null
null
null
6
P 1
P 1
1
- C30 H66 Cl6 Er2 N6 O42 -
- C30 H66 Cl6 Er2 N6 O48 -
- C30 H66 Cl6 Er2 N6 O48 -
1
1
OH1031
Hu, N.-H.; Wang, Z.-L.; Niu, C.-J.; Ni, J.-Z.
Structure of an erbium complex with <small>L</small>-proline
Acta Crystallographica Section C
1,993
49
12
2086
2089
10.1107/S0108270193005311
0.71069
MoKα
null
0.024
null
null
0.028
null
null
null
null
1.52
1.52
null
null
null
has coordinates
Hu, N.-H.; Wang, Z.-L.; Niu, C.-J.; Ni, J.-Z. Structure of an erbium complex with <small>L</small>-proline Acta Crystallographica Section C 49(12) (1993) 2086-2089
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/2/00/11/2001143.cif $ #-------------------------------------------------------------------...
2,001,144
13.381
0.012
8.91
0.009
9.178
0.009
90
null
101.27
0.09
90
null
1,073.1
1.8
80
1
80
null
null
null
null
null
5
P 1 21/a 1
-P 2yab
14
di-μ-chlorobis[trichloro(allyl acetate-O)]dititanium(IV)
- C10 H16 Cl8 O4 Ti2 -
- C10 H16 Cl8 O4 Ti2 -
- C20 H32 Cl16 O8 Ti4 -
2
0.5
KA1046
Lis, T.; Utko, J.; Sobota, P.
Structure of di-μ-chloro-bis[(allyl acetate-<i>O</i>)trichlorotitanium(IV)] at 80 K
Acta Crystallographica Section C
1,993
49
12
2089
2091
10.1107/S0108270193006110
0.7093
MoKα
null
0.0258
null
null
0.028
null
null
null
null
null
null
null
null
null
has coordinates
Lis, T.; Utko, J.; Sobota, P. Structure of di-μ-chloro-bis[(allyl acetate-<i>O</i>)trichlorotitanium(IV)] at 80 K Acta Crystallographica Section C 49(12) (1993) 2089-2091
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/2/00/11/2001144.cif $ #-------------------------------------------------------------------...
2,001,145
12.878
0.005
19.311
0.009
14.387
0.008
90
null
112.56
0.04
90
null
3,304
3
293
null
null
null
null
null
null
null
5
P 1 21/c 1
-P 2ybc
14
- C36 H60 O24 Pd6 S12 -
- C36 H60 O24 Pd6 S12 -
- C72 H120 O48 Pd12 S24 -
2
0.5
SH1051
Schneider, I.; Hörner, M.; Olendzki, R. N.; Strähle, J.
Structure of <i>cyclo</i>-hexakis[bis-μ-(methoxycarbonylmethylthiolato)-palladium(II)], [Pd(SCH~2~COOCH~3~)~2~]~6~
Acta Crystallographica Section C
1,993
49
12
2091
2093
10.1107/S0108270193005657
0.71069
MoKα
null
0.033
null
null
0.043
null
null
null
null
1.657
1.657
null
null
null
has coordinates
Schneider, I.; Hörner, M.; Olendzki, R. N.; Strähle, J. Structure of <i>cyclo</i>-hexakis[bis-μ-(methoxycarbonylmethylthiolato)-palladium(II)], [Pd(SCH~2~COOCH~3~)~2~]~6~ Acta Crystallographica Section C 49(12) (1993) 2091-2093
301,791
2025-08-18
23:15:00
#------------------------------------------------------------------------------ #$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/2/00/11/2001145.cif $ #-------------------------------------------------------------------...
2,001,146
17.06
0.002
7.088
0.002
15.332
0.002
90
null
91.76
0.01
90
null
1,853.1
0.6
298
null
null
null
null
null
null
null
5
P 1 21/n 1
-P 2yn
14
- C14 H11 K3 N2 O12 -
- C14 H11 K3 N2 O12 -
- C56 H44 K12 N8 O48 -
4
1
OH1023
Nakamura, N.; Kohzuma, T.; Kuma, H.; Suzuki, S.
Structure of a tripotassium pyrroloquinoline quinone salt
Acta Crystallographica Section C
1,993
49
12
2093
2095
10.1107/S0108270193005530
1.54178
CuKα
null
0.056
null
null
0.06
null
null
null
null
1.23
1.23
null
null
null
has coordinates
Nakamura, N.; Kohzuma, T.; Kuma, H.; Suzuki, S. Structure of a tripotassium pyrroloquinoline quinone salt Acta Crystallographica Section C 49(12) (1993) 2093-2095
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/2/00/11/2001146.cif $ #-------------------------------------------------------------------...
2,001,147
11.782
0.002
12.524
0.002
7.041
0.002
95.49
0.02
98.01
0.02
84.71
0.02
1,020.8
0.4
298
2
null
null
null
null
null
null
4
P -1
-P 1
2
- C40 H48 Cu2 O10 -
- C40 H48 Cu2 O10 -
- C40 H48 Cu2 O10 -
1
0.5
AS1036
Fujita, T.; Ohba, S.; Nagamatsu, M.; Tokii, T.; Jury, C. F.; Steward, O. W.; Kato, M.
Dimeric copper(II) 2-methyl-2-phenylpropanoate adducts with water or 2,6-lutidine and a monomeric copper(II) triphenylacetate adduct with 2,6-lutidine
Acta Crystallographica Section C
1,993
49
12
2095
2100
10.1107/S0108270193005359
0.71073
MoKα
null
0.047
null
null
0.054
null
null
null
null
1.94
1.94
null
null
null
has coordinates
Fujita, T.; Ohba, S.; Nagamatsu, M.; Tokii, T.; Jury, C. F.; Steward, O. W.; Kato, M. Dimeric copper(II) 2-methyl-2-phenylpropanoate adducts with water or 2,6-lutidine and a monomeric copper(II) triphenylacetate adduct with 2,6-lutidine Acta Crystallographica Section C 49(12) (1993) 2095-2100
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/2/00/11/2001147.cif $ #-------------------------------------------------------------------...
7,205,698
12.405
0.003
14.088
0.003
15.765
0.003
63.53
0.03
72.82
0.03
68.38
0.03
2,264.1
1.1
293
2
293
2
null
null
null
null
5
P -1
-P 1
2
- C43 H37 Co2 N10 O18 -
- C43 H37 Co2 N10 O18 -
- C86 H74 Co4 N20 O36 -
2
1
Li, Baiyan; Zhang, Yiming; Li, Guanghua; Liu, Dan; Chen, Yan; Hu, Weiwei; Shi, Zhan; Feng, Shouhua
Design and construction of coordination polymers by 2,2′-dinitro-4,4′-biphenyldicarboxylate and imidazole-based ligands: diverse structures based on different metal ions
CrystEngComm
2,011
13
7
2457
10.1039/c0ce00682c
0.71073
MoKα
0.0967
0.0619
null
null
0.1423
0.1609
null
null
null
null
null
1.026
null
null
has coordinates
Li, Baiyan; Zhang, Yiming; Li, Guanghua; Liu, Dan; Chen, Yan; Hu, Weiwei; Shi, Zhan; Feng, Shouhua Design and construction of coordination polymers by 2,2′-dinitro-4,4′-biphenyldicarboxylate and imidazole-based ligands: diverse structures based on different metal ions CrystEngComm 13(7) (2011) 2457
180,387
2020-10-21
18:00:00
#------------------------------------------------------------------------------ #$Date: 2016-03-26 17:19:08 +0200 (Sat, 26 Mar 2016) $ #$Revision: 180387 $ #$URL: file:///home/coder/svn-repositories/_RELOADED_COD/cod-reloaded/cif/7/20/56/7205698.cif $ #-------------------------------------------------------------------...
2,001,148
13.033
0.001
22.608
0.003
16.703
0.001
90
null
90.76
0.01
90
null
4,921.1
0.8
298
2
null
null
null
null
null
null
5
P 1 2/c 1
-P 2yc
13
- C60 H68 Cu2 N2 O8 -
- C27 H31 Cu N O4 -
- C108 H124 Cu4 N4 O16 -
4
1
AS1036
Fujita, T.; Ohba, S.; Nagamatsu, M.; Tokii, T.; Jury, C. F.; Steward, O. W.; Kato, M.
Dimeric copper(II) 2-methyl-2-phenylpropanoate adducts with water or 2,6-lutidine and a monomeric copper(II) triphenylacetate adduct with 2,6-lutidine
Acta Crystallographica Section C
1,993
49
12
2095
2100
10.1107/S0108270193005359
0.71073
MoKα
null
0.047
null
null
0.041
null
null
null
null
1.57
1.57
null
null
null
has coordinates
Fujita, T.; Ohba, S.; Nagamatsu, M.; Tokii, T.; Jury, C. F.; Steward, O. W.; Kato, M. Dimeric copper(II) 2-methyl-2-phenylpropanoate adducts with water or 2,6-lutidine and a monomeric copper(II) triphenylacetate adduct with 2,6-lutidine Acta Crystallographica Section C 49(12) (1993) 2095-2100
176,432
2020-10-21
18:00:00
#------------------------------------------------------------------------------ #$Date: 2016-02-14 06:40:26 +0200 (Sun, 14 Feb 2016) $ #$Revision: 176432 $ #$URL: file:///home/coder/svn-repositories/_RELOADED_COD/cod-reloaded/cif/2/00/11/2001148.cif $ #-------------------------------------------------------------------...
2,001,149
19.928
0.004
10.982
0.002
10.017
0.002
90
null
97.98
0.02
90
null
2,171
0.7
300
2
null
null
null
null
null
null
5
P 1 21/n 1
-P 2yn
14
- C54 H48 Cu N2 O4 -
- C54 H48 Cu N2 O4 -
- C108 H96 Cu2 N4 O8 -
2
0.5
AS1036
Fujita, T.; Ohba, S.; Nagamatsu, M.; Tokii, T.; Jury, C. F.; Steward, O. W.; Kato, M.
Dimeric copper(II) 2-methyl-2-phenylpropanoate adducts with water or 2,6-lutidine and a monomeric copper(II) triphenylacetate adduct with 2,6-lutidine
Acta Crystallographica Section C
1,993
49
12
2095
2100
10.1107/S0108270193005359
0.71073
MoKα
null
0.056
null
null
0.054
null
null
null
null
1.61
1.61
null
null
null
has coordinates
Fujita, T.; Ohba, S.; Nagamatsu, M.; Tokii, T.; Jury, C. F.; Steward, O. W.; Kato, M. Dimeric copper(II) 2-methyl-2-phenylpropanoate adducts with water or 2,6-lutidine and a monomeric copper(II) triphenylacetate adduct with 2,6-lutidine Acta Crystallographica Section C 49(12) (1993) 2095-2100
301,791
2025-08-18
23:15:00
#------------------------------------------------------------------------------ #$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/2/00/11/2001149.cif $ #-------------------------------------------------------------------...
2,001,150
12.76
0.006
5.319
0.004
14.933
0.008
90
null
91.05
0.04
90
null
1,013.3
1.1
295
null
null
null
null
null
null
null
4
P 1 21/a 1
-P 2yab
null
- C16 H22 Co O14 -
- C16 H22 Co O14 -
- C32 H44 Co2 O28 -
2
0.5
HU1032
Kariuki, B. M.; Jones, W.
Structure of hexaaquacobalt hydrogen phthalate
Acta Crystallographica Section C
1,993
49
12
2100
2102
10.1107/S0108270193005918
0.71069
MoKα
null
0.056
null
null
null
null
null
null
null
null
null
null
null
null
has coordinates
Kariuki, B. M.; Jones, W. Structure of hexaaquacobalt hydrogen phthalate Acta Crystallographica Section C 49(12) (1993) 2100-2102
301,791
2025-08-18
23:15:00
#------------------------------------------------------------------------------ #$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/2/00/11/2001150.cif $ #-------------------------------------------------------------------...
2,001,151
16.562
0.001
9.704
0.001
36.591
0.002
90
null
92.21
0.01
90
null
5,876.4
0.8
294
1
293
null
null
null
null
null
6
I 1 2/a 1
-I 2ya
15
FeBAMP
Bis(2,6-diaminomethylpyridine)Fe(II)Dichloride . 1.67Hydrate
- C14 H25.33 Cl2 Fe N6 O1.67 -
- C14 H25.3333 Cl2 Fe N6 O1.66667 -
- C168 H304 Cl24 Fe12 N72 O20 -
12
1.5
MU1032
Bonhôte, P.; Ferigo, M.; Stoeckli-Evans, H.; Marty, W.
Structures of 2,6-bis(aminomethyl)pyridine (bamp) complexes of Fe^II^, Ni^II^, Zn^II^, Mn^II^, Co^III^ and Cu^II^
Acta Crystallographica Section C
1,993
49
12
2102
2107
10.1107/S010827019300424X
0.71073
MolybdenumKα
0.029
0.029
null
0.046
0.049
null
null
null
null
0.74
0.74
null
null
null
has coordinates
Bonhôte, P.; Ferigo, M.; Stoeckli-Evans, H.; Marty, W. Structures of 2,6-bis(aminomethyl)pyridine (bamp) complexes of Fe^II^, Ni^II^, Zn^II^, Mn^II^, Co^III^ and Cu^II^ Acta Crystallographica Section C 49(12) (1993) 2102-2107
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/2/00/11/2001151.cif $ #-------------------------------------------------------------------...
7,205,697
19.249
0.004
7.6441
0.0015
26.522
0.005
90
null
90
null
90
null
3,902.5
1.3
293
2
293
2
null
null
null
null
5
P b c a
-P 2ac 2ab
61
- C38 H26 Mn2 N8 O16 -
- C38 H26 Mn2 N8 O16 -
- C152 H104 Mn8 N32 O64 -
4
0.5
Li, Baiyan; Zhang, Yiming; Li, Guanghua; Liu, Dan; Chen, Yan; Hu, Weiwei; Shi, Zhan; Feng, Shouhua
Design and construction of coordination polymers by 2,2′-dinitro-4,4′-biphenyldicarboxylate and imidazole-based ligands: diverse structures based on different metal ions
CrystEngComm
2,011
13
7
2457
10.1039/c0ce00682c
0.71073
MoKα
0.0674
0.0508
null
null
0.1018
0.1086
null
null
null
null
null
1.04
null
null
has coordinates
Li, Baiyan; Zhang, Yiming; Li, Guanghua; Liu, Dan; Chen, Yan; Hu, Weiwei; Shi, Zhan; Feng, Shouhua Design and construction of coordination polymers by 2,2′-dinitro-4,4′-biphenyldicarboxylate and imidazole-based ligands: diverse structures based on different metal ions CrystEngComm 13(7) (2011) 2457
180,387
2020-10-21
18:00:00
#------------------------------------------------------------------------------ #$Date: 2016-03-26 17:19:08 +0200 (Sat, 26 Mar 2016) $ #$Revision: 180387 $ #$URL: file:///home/coder/svn-repositories/_RELOADED_COD/cod-reloaded/cif/7/20/56/7205697.cif $ #-------------------------------------------------------------------...
2,001,152
16.477
0.002
9.677
0.001
36.534
0.005
90
null
91.9
0.01
90
null
5,822.1
1.2
294
1
293
null
null
null
null
null
6
I 1 2/a 1
-I 2ya
15
NiBAMP
Bis(2,6-diaminomethylpyridine)Ni(II)Dichloride 1.67Hydrate
- C14 H25.33 Cl2 N6 Ni O1.67 -
- C14 H25.3333 Cl2 N6 Ni O1.66667 -
- C168 H304 Cl24 N72 Ni12 O20 -
12
1.5
MU1032
Bonhôte, P.; Ferigo, M.; Stoeckli-Evans, H.; Marty, W.
Structures of 2,6-bis(aminomethyl)pyridine (bamp) complexes of Fe^II^, Ni^II^, Zn^II^, Mn^II^, Co^III^ and Cu^II^
Acta Crystallographica Section C
1,993
49
12
2102
2107
10.1107/S010827019300424X
0.71073
MolybdenumKα
0.036
0.036
null
0.051
0.051
null
null
null
null
0.94
0.94
null
null
null
has coordinates
Bonhôte, P.; Ferigo, M.; Stoeckli-Evans, H.; Marty, W. Structures of 2,6-bis(aminomethyl)pyridine (bamp) complexes of Fe^II^, Ni^II^, Zn^II^, Mn^II^, Co^III^ and Cu^II^ Acta Crystallographica Section C 49(12) (1993) 2102-2107
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/2/00/11/2001152.cif $ #-------------------------------------------------------------------...
2,001,153
16.54
0.001
9.709
0.001
36.607
0.002
90
null
92.01
0.01
90
null
5,875
0.8
294
1
293
null
null
null
null
null
6
I 1 2/a 1
-I 2ya
15
ZnBAMP
Bis(2,6-diaminomethylpyridine)Zn(II)Dichloride . 1.67Hydrate
- C14 H25.33 Cl2 N6 O1.67 Zn -
- C14 H25.3333 Cl2 N6 O1.66667 Zn -
- C168 H304 Cl24 N72 O20 Zn12 -
12
1.5
MU1032
Bonhôte, P.; Ferigo, M.; Stoeckli-Evans, H.; Marty, W.
Structures of 2,6-bis(aminomethyl)pyridine (bamp) complexes of Fe^II^, Ni^II^, Zn^II^, Mn^II^, Co^III^ and Cu^II^
Acta Crystallographica Section C
1,993
49
12
2102
2107
10.1107/S010827019300424X
0.71073
MolybdenumKα
0.036
0.036
null
0.091
0.091
null
null
null
null
1.73
1.73
null
null
null
has coordinates
Bonhôte, P.; Ferigo, M.; Stoeckli-Evans, H.; Marty, W. Structures of 2,6-bis(aminomethyl)pyridine (bamp) complexes of Fe^II^, Ni^II^, Zn^II^, Mn^II^, Co^III^ and Cu^II^ Acta Crystallographica Section C 49(12) (1993) 2102-2107
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/2/00/11/2001153.cif $ #-------------------------------------------------------------------...
2,001,154
13.01
0.001
9.162
0.001
15.669
0.002
90
null
93.251
0.009
90
null
1,864.7
0.3
294
1
293
null
null
null
null
null
6
I 1 2/a 1
-I 2ya
15
MnBAMP
Bis(2,6-diaminomethylpyridine)Mn(II)Dichloride Monohydrate
- C14 H24 Cl2 Mn N6 O -
- C14 H24 Cl2 Mn N6 O -
- C56 H96 Cl8 Mn4 N24 O4 -
4
0.5
MU1032
Bonhôte, P.; Ferigo, M.; Stoeckli-Evans, H.; Marty, W.
Structures of 2,6-bis(aminomethyl)pyridine (bamp) complexes of Fe^II^, Ni^II^, Zn^II^, Mn^II^, Co^III^ and Cu^II^
Acta Crystallographica Section C
1,993
49
12
2102
2107
10.1107/S010827019300424X
0.71073
MolybdenumKα
0.034
0.034
null
0.064
0.064
null
null
null
null
0.6
0.6
null
null
null
has coordinates
Bonhôte, P.; Ferigo, M.; Stoeckli-Evans, H.; Marty, W. Structures of 2,6-bis(aminomethyl)pyridine (bamp) complexes of Fe^II^, Ni^II^, Zn^II^, Mn^II^, Co^III^ and Cu^II^ Acta Crystallographica Section C 49(12) (1993) 2102-2107
301,791
2025-08-18
23:15:00
#------------------------------------------------------------------------------ #$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/2/00/11/2001154.cif $ #-------------------------------------------------------------------...
2,001,155
8.758
0.002
26.749
0.005
17.32
0.003
90
null
90
null
90
null
4,057.5
1.4
294
1
293
null
null
null
null
null
6
P c c n
-P 2ab 2ac
56
CoBAMP
Bis(2,6-diaminomethylpyridine)Co(III)Trichloride Hemihydrate
- C14 H22 Cl3 Co N6 O0.5 -
- C14 H22 Cl3.5 Co N6 O -
- C112 H176 Cl28 Co8 N48 O8 -
8
1
MU1032
Bonhôte, P.; Ferigo, M.; Stoeckli-Evans, H.; Marty, W.
Structures of 2,6-bis(aminomethyl)pyridine (bamp) complexes of Fe^II^, Ni^II^, Zn^II^, Mn^II^, Co^III^ and Cu^II^
Acta Crystallographica Section C
1,993
49
12
2102
2107
10.1107/S010827019300424X
0.71073
MolybdenumKα
0.072
0.072
null
0.117
0.117
null
null
null
null
1.83
1.83
null
null
null
has coordinates
Bonhôte, P.; Ferigo, M.; Stoeckli-Evans, H.; Marty, W. Structures of 2,6-bis(aminomethyl)pyridine (bamp) complexes of Fe^II^, Ni^II^, Zn^II^, Mn^II^, Co^III^ and Cu^II^ Acta Crystallographica Section C 49(12) (1993) 2102-2107
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/2/00/11/2001155.cif $ #-------------------------------------------------------------------...
7,205,696
5.798
0.002
9.447
0.004
11.167
0.004
87.646
0.007
75.043
0.006
75.422
0.006
571.7
0.4
120
null
120
null
null
null
null
null
4
P -1
-P 1
2
- C9 H13 N5 S2 -
- C9 H13 N5 S2 -
- C18 H26 N10 S4 -
2
1
Lenthall, Joseph T.; Foster, Jonathan A.; Anderson, Kirsty M.; Probert, Michael R.; Howard, Judith A. K.; Steed, Jonathan W.
Hydrogen bonding interactions with the thiocarbonyl π-system
CrystEngComm
2,011
13
9
3202
10.1039/c0ce00680g
x-ray
0.71073
MoKα
K-L~3~
0.0592
0.045
null
null
0.1149
0.1207
null
null
null
null
null
1.07
null
null
has coordinates
Lenthall, Joseph T.; Foster, Jonathan A.; Anderson, Kirsty M.; Probert, Michael R.; Howard, Judith A. K.; Steed, Jonathan W. Hydrogen bonding interactions with the thiocarbonyl π-system CrystEngComm 13(9) (2011) 3202
301,863
2025-08-22
13:07:26
#------------------------------------------------------------------------------ #$Date: 2025-08-22 15:50:14 +0300 (Fri, 22 Aug 2025) $ #$Revision: 301863 $ #$URL: file:///home/coder/svn-repositories/_RELOADED_COD/cod-reloaded/cif/7/20/56/7205696.cif $ #-------------------------------------------------------------------...
2,001,156
17.628
0.004
10.168
0.001
6.496
0.001
90
null
90
null
90
null
1,164.4
0.3
294
1
293
null
null
null
null
null
6
P n a 21
P 2c -2n
33
CuBAMP
(2,6-diaminomethylpyridine)Cu(II)Chloride Perchorlate
- C7 H11 Cl2 Cu N3 O4 -
- C7 H11 Cl2 Cu N3 O4 -
- C28 H44 Cl8 Cu4 N12 O16 -
4
1
MU1032
Bonhôte, P.; Ferigo, M.; Stoeckli-Evans, H.; Marty, W.
Structures of 2,6-bis(aminomethyl)pyridine (bamp) complexes of Fe^II^, Ni^II^, Zn^II^, Mn^II^, Co^III^ and Cu^II^
Acta Crystallographica Section C
1,993
49
12
2102
2107
10.1107/S010827019300424X
0.71073
MolybdenumKα
0.032
0.032
null
0.049
0.049
null
null
null
null
0.86
0.86
null
null
null
has coordinates
Bonhôte, P.; Ferigo, M.; Stoeckli-Evans, H.; Marty, W. Structures of 2,6-bis(aminomethyl)pyridine (bamp) complexes of Fe^II^, Ni^II^, Zn^II^, Mn^II^, Co^III^ and Cu^II^ Acta Crystallographica Section C 49(12) (1993) 2102-2107
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/2/00/11/2001156.cif $ #-------------------------------------------------------------------...