file
int64
a
float64
siga
float64
b
float64
sigb
float64
c
float64
sigc
float64
alpha
float64
sigalpha
float64
beta
float64
sigbeta
float64
gamma
float64
siggamma
float64
vol
float64
sigvol
float64
celltemp
float64
sigcelltemp
float64
diffrtemp
float64
sigdiffrtemp
float64
cellpressure
float64
sigcellpressure
float64
diffrpressure
float64
sigdiffrpressure
float64
thermalhist
string
pressurehist
string
compoundsource
string
nel
string
sg
string
sgHall
string
sgNumber
int64
commonname
string
chemname
string
mineral
string
formula
string
calcformula
string
cellformula
string
Z
int64
Zprime
float64
acce_code
string
authors
string
title
string
journal
string
year
int64
volume
int64
issue
string
firstpage
string
lastpage
string
doi
string
method
string
radiation
string
wavelength
float64
radType
string
radSymbol
string
Rall
float64
Robs
float64
Rref
float64
wRall
float64
wRobs
float64
wRref
float64
RFsqd
float64
RI
float64
gofall
float64
gofobs
float64
gofgt
float64
gofref
float64
duplicateof
int64
optimal
int64
status
string
flags
string
text
string
svnrevision
int64
date
string
time
string
onhold
string
cif_text
string
2,010,287
11.947
0.003
8.3
0.003
11.031
0.003
90
null
90.74
0.02
90
null
1,093.7
0.6
150
2
150
2
null
null
null
null
4
P 1 21/c 1
-P 2ybc
14
N-Methylthioamidotetrathiafulvalene
- C8 H7 N S5 -
- C8 H7 N S5 -
- C32 H28 N4 S20 -
4
1
HA1115
Howard, Judith A.K.; Batsanov, Andrei S.; Bryce, Martin R.; Heaton, Julie N.
<i>N</i>-Methylthiocarbamoyltetrathiafulvalene at 150 K
Acta Crystallographica Section C
1,994
50
12
1956
1958
10.1107/S0108270194006827
0.71073
MoKα
0.0509
0.029
null
0.0993
0.0722
null
null
null
1.07
1.068
1.068
null
null
null
has coordinates
Howard, Judith A.K.; Batsanov, Andrei S.; Bryce, Martin R.; Heaton, Julie N. <i>N</i>-Methylthiocarbamoyltetrathiafulvalene at 150 K Acta Crystallographica Section C 50(12) (1994) 1956-1958
301,798
2025-08-19
6:41:45
#------------------------------------------------------------------------------ #$Date: 2025-08-19 09:12:48 +0300 (Tue, 19 Aug 2025) $ #$Revision: 301798 $ #$URL: file:///home/coder/svn-repositories/_RELOADED_COD/cod-reloaded/cif/2/01/02/2010287.cif $ #-------------------------------------------------------------------...
2,010,288
16.79
0.0011
12.6423
0.0008
11.1014
0.0006
90
null
94.31
0.06
90
null
2,349.8
0.3
293
2
295
2
null
null
null
null
4
P 1 21/c 1
-P 2ybc
14
5-(1-aminopyrrolylmethylene)-Meldrum's acid
5-(1-aminopyrrolylmethylene)-2,2-dimethyl-1,3-dioxane-4,6-dione
- C11 H12 N2 O4 -
- C11 H12 N2 O4 -
- C88 H96 N16 O32 -
8
2
HA1120
Blake, Alexander J.; Gould, Robert O.; Irving, Iain; McNab, Hamish; Morrow, Mark
Two <i>N</i>-aminoazolylmethylene derivatives of Meldrum's acid
Acta Crystallographica Section C
1,994
50
12
1935
1938
10.1107/S0108270194007213
1.54184
CuKα
0.1088
0.0563
null
0.1761
0.1475
null
null
null
1.079
1.192
1.192
null
null
null
has coordinates
Blake, Alexander J.; Gould, Robert O.; Irving, Iain; McNab, Hamish; Morrow, Mark Two <i>N</i>-aminoazolylmethylene derivatives of Meldrum's acid Acta Crystallographica Section C 50(12) (1994) 1935-1938
201,957
2020-10-21
18:00:00
#------------------------------------------------------------------------------ #$Date: 2017-10-13 03:48:21 +0300 (Fri, 13 Oct 2017) $ #$Revision: 201957 $ #$URL: file:///home/coder/svn-repositories/_RELOADED_COD/cod-reloaded/cif/2/01/02/2010288.cif $ #-------------------------------------------------------------------...
2,010,289
5.4407
0.001
10.341
0.002
10.714
0.002
107.351
0.007
96.814
0.011
100.9
0.015
555.04
0.19
295
2
295
2
null
null
null
null
4
P -1
-P 1
2
5-(1-aminopyrazolylmethylene)-Meldrum's acid
5-(1-aminopyrazolylmethylene)-2,2-dimethyl-1,3-dioxane-4,6-dione
- C10 H11 N3 O4 -
- C10 H11 N3 O4 -
- C20 H22 N6 O8 -
2
1
HA1120
Blake, Alexander J.; Gould, Robert O.; Irving, Iain; McNab, Hamish; Morrow, Mark
Two <i>N</i>-aminoazolylmethylene derivatives of Meldrum's acid
Acta Crystallographica Section C
1,994
50
12
1935
1938
10.1107/S0108270194007213
0.71073
MoKα
0.0409
0.0318
null
0.0787
0.0691
null
null
null
0.187
0.181
0.181
null
null
null
has coordinates
Blake, Alexander J.; Gould, Robert O.; Irving, Iain; McNab, Hamish; Morrow, Mark Two <i>N</i>-aminoazolylmethylene derivatives of Meldrum's acid Acta Crystallographica Section C 50(12) (1994) 1935-1938
301,798
2025-08-19
6:41:45
#------------------------------------------------------------------------------ #$Date: 2025-08-19 09:12:48 +0300 (Tue, 19 Aug 2025) $ #$Revision: 301798 $ #$URL: file:///home/coder/svn-repositories/_RELOADED_COD/cod-reloaded/cif/2/01/02/2010289.cif $ #-------------------------------------------------------------------...
2,010,290
19.263
0.01
3.886
0.003
5.902
0.003
90
null
90
null
90
null
441.8
0.5
150
0.2
150
0.2
null
null
null
null
3
P n a 21
P 2c -2n
33
α-pyrone
α-pyrone
- C5 H4 O2 -
- C5 H4 O2 -
- C20 H16 O8 -
4
1
HA1121
Blake, Alexander J.; Gould, Robert O.; Harris, Steven G.; McNab, Hamish; Parsons, Simon
α-Pyrone at 150 K
Acta Crystallographica Section C
1,994
50
12
1938
1940
10.1107/S0108270194007225
0.71073
MoKα
0.0544
0.047
null
0.2149
0.1535
null
null
null
1.242
1.251
1.251
null
null
null
has coordinates
Blake, Alexander J.; Gould, Robert O.; Harris, Steven G.; McNab, Hamish; Parsons, Simon α-Pyrone at 150 K Acta Crystallographica Section C 50(12) (1994) 1938-1940
301,798
2025-08-19
6:41:45
#------------------------------------------------------------------------------ #$Date: 2025-08-19 09:12:48 +0300 (Tue, 19 Aug 2025) $ #$Revision: 301798 $ #$URL: file:///home/coder/svn-repositories/_RELOADED_COD/cod-reloaded/cif/2/01/02/2010290.cif $ #-------------------------------------------------------------------...
2,010,291
7.106
0.002
11.335
0.002
11.817
0.002
90
null
105.3
0.01
90
null
918.1
0.3
296
null
296
null
null
null
null
null
3
P 1 21/n 1
-P 2yn
14
7-Hydroxy-4-methylcoumarin monohydrate
- C10 H10 O4 -
- C10 H10 O4 -
- C40 H40 O16 -
4
1
HH1047
Jasinski, Jerry P.; Woudenberg, Richard C.
7-Hydroxy-4-methylcoumarin monohydrate
Acta Crystallographica Section C
1,994
50
12
1952
1953
10.1107/S0108270194005822
0.71069
MoKα
null
0.039
null
null
0.045
null
null
null
null
1.741
1.741
null
null
null
has coordinates
Jasinski, Jerry P.; Woudenberg, Richard C. 7-Hydroxy-4-methylcoumarin monohydrate Acta Crystallographica Section C 50(12) (1994) 1952-1953
301,798
2025-08-19
6:41:45
#------------------------------------------------------------------------------ #$Date: 2025-08-19 09:12:48 +0300 (Tue, 19 Aug 2025) $ #$Revision: 301798 $ #$URL: file:///home/coder/svn-repositories/_RELOADED_COD/cod-reloaded/cif/2/01/02/2010291.cif $ #-------------------------------------------------------------------...
2,010,292
7.157
0.001
9.566
0.001
6.92
0.001
95.13
0.01
110.11
0.01
71.78
0.01
422.49
0.1
296
null
296
null
null
null
null
null
4
P -1
-P 1
2
7-Amino-4-methylcoumarin
- C10 H9 N O2 -
- C10 H9 N O2 -
- C20 H18 N2 O4 -
2
1
HH1048
Jasinski, Jerry P.; Woudenberg, Richard C.
7-Amino-4-methylcoumarin
Acta Crystallographica Section C
1,994
50
12
1954
1956
10.1107/S0108270194005834
0.71069
MoKα
null
0.041
null
null
0.05
null
null
null
null
1.901
1.901
null
null
null
has coordinates
Jasinski, Jerry P.; Woudenberg, Richard C. 7-Amino-4-methylcoumarin Acta Crystallographica Section C 50(12) (1994) 1954-1956
301,798
2025-08-19
6:41:45
#------------------------------------------------------------------------------ #$Date: 2025-08-19 09:12:48 +0300 (Tue, 19 Aug 2025) $ #$Revision: 301798 $ #$URL: file:///home/coder/svn-repositories/_RELOADED_COD/cod-reloaded/cif/2/01/02/2010292.cif $ #-------------------------------------------------------------------...
2,010,293
17.223
0.006
12.904
0.006
21.073
0.004
90
null
107.44
0.02
90
null
4,468
3
293
null
null
null
null
null
null
null
4
C 1 2/c 1
-C 2yc
null
- C14 H10 O4 S2 -
- C16.6667 H15.3333 O4.66667 S2 -
- C200 H184 O56 S24 -
12
1.5
HH1069
Kresinski, R. A.; Fackler Jr, J. P.
2,2'-Dithiodisalicyclic acid tetrahydrofuran solvate
Acta Crystallographica Section C
1,994
50
12
2039
2041
10.1107/S0108270193012223
0.71073
MoKα
null
0.05
null
null
0.0505
null
null
null
null
1.413
1.413
null
null
null
has coordinates
Kresinski, R. A.; Fackler Jr, J. P. 2,2'-Dithiodisalicyclic acid tetrahydrofuran solvate Acta Crystallographica Section C 50(12) (1994) 2039-2041
176,760
2020-10-21
18:00:00
#------------------------------------------------------------------------------ #$Date: 2016-02-20 00:18:51 +0200 (Sat, 20 Feb 2016) $ #$Revision: 176760 $ #$URL: file:///home/coder/svn-repositories/_RELOADED_COD/cod-reloaded/cif/2/01/02/2010293.cif $ #-------------------------------------------------------------------...
2,010,294
11.519
0.001
15.6
0.001
32.258
0.002
90
null
90
null
90
null
5,796.6
0.7
290
null
null
null
null
null
null
null
3
P 21 21 21
P 2ac 2ab
19
10,13,19-trihdroxy-4,4,7,12a,16,21a-hexamethyl-1,4,5,5a,7a,12a,13,14,14a,15,18- dodecahydrodicyclohepta[e:e']cycloundeca[1.2-b;5,6-b]dipyran-9,18-dione
- C33 H40 O7 -
- C33 H38.5 O7 -
- C264 H308 O56 -
8
2
HH1073
Gao, Q.; Mayerl, F.
Eupenifeldin
Acta Crystallographica Section C
1,994
50
12
2033
2036
10.1107/S0108270194002817
1.5418
CuKα
null
0.054
null
null
0.055
null
null
null
null
1.852
1.852
null
null
null
has coordinates
Gao, Q.; Mayerl, F. Eupenifeldin Acta Crystallographica Section C 50(12) (1994) 2033-2036
176,760
2020-10-21
18:00:00
#------------------------------------------------------------------------------ #$Date: 2016-02-20 00:18:51 +0200 (Sat, 20 Feb 2016) $ #$Revision: 176760 $ #$URL: file:///home/coder/svn-repositories/_RELOADED_COD/cod-reloaded/cif/2/01/02/2010294.cif $ #-------------------------------------------------------------------...
2,010,295
6.061
0.001
11.439
0.001
18.858
0.002
90
null
90
null
90
null
1,307.5
0.3
293
2
293
2
null
null
null
null
4
P 21 21 21
P 2ac 2ab
19
(Z)-(-)-(R)-β-styryl p-tolyl sulfoxide
- C15 H14 O S -
- C15 H14 O S -
- C60 H56 O4 S4 -
4
1
HR1014
Declercq, Jean-Paul; Feneau-Dupont, Janine; Louis, Chantal; Hootelé, Claude
(<i>Z</i>)-(–)-(<i>R</i>)-β-Styryl <i>p</i>-tolyl sulfoxide
Acta Crystallographica Section C
1,994
50
12
1980
1981
10.1107/S0108270194007092
1.54178
CuKα
0.0486
0.0432
null
0.1203
0.1164
null
null
null
1.048
1.083
1.083
null
null
null
has coordinates
Declercq, Jean-Paul; Feneau-Dupont, Janine; Louis, Chantal; Hootelé, Claude (<i>Z</i>)-(–)-(<i>R</i>)-β-Styryl <i>p</i>-tolyl sulfoxide Acta Crystallographica Section C 50(12) (1994) 1980-1981
301,798
2025-08-19
6:41:45
#------------------------------------------------------------------------------ #$Date: 2025-08-19 09:12:48 +0300 (Tue, 19 Aug 2025) $ #$Revision: 301798 $ #$URL: file:///home/coder/svn-repositories/_RELOADED_COD/cod-reloaded/cif/2/01/02/2010295.cif $ #-------------------------------------------------------------------...
2,010,296
6.647
0.003
21.162
0.003
7.737
0.003
90
null
112.02
0.03
90
null
1,008.9
0.7
293
2
293
2
null
null
null
null
6
P 1 21/n 1
-P 2yn
14
Bis[diamminesilver(I)] Bis(biuretato-N^1^,N^5^)nickelate(II) Hexahydrate
- C4 H30 Ag2 N10 Ni O10 -
- C4 H30 Ag2 N10 Ni O10 -
- C8 H60 Ag4 N20 Ni2 O20 -
2
0.5
HR1030
Pajunen, A.; Pajunen, S.
Diamminesilver(I) bis(biuretato-<i>N</i>^1^,<i>N</i>^5^)nickelate(II) hexahydrate
Acta Crystallographica Section C
1,994
50
12
1884
1886
10.1107/S0108270194006505
0.71069
MoKα
0.0663
0.0499
null
0.1614
0.1361
null
null
null
1.089
1.132
1.132
null
null
null
has coordinates
Pajunen, A.; Pajunen, S. Diamminesilver(I) bis(biuretato-<i>N</i>^1^,<i>N</i>^5^)nickelate(II) hexahydrate Acta Crystallographica Section C 50(12) (1994) 1884-1886
301,798
2025-08-19
6:41:45
#------------------------------------------------------------------------------ #$Date: 2025-08-19 09:12:48 +0300 (Tue, 19 Aug 2025) $ #$Revision: 301798 $ #$URL: file:///home/coder/svn-repositories/_RELOADED_COD/cod-reloaded/cif/2/01/02/2010296.cif $ #-------------------------------------------------------------------...
2,010,297
10.647
0.002
17.004
0.003
11.623
0.002
90
null
92.61
0.03
90
null
2,102.1
0.7
293
null
null
null
null
null
null
null
4
P 1 21/n 1
-P 2yn
14
- C21 H21 Bi O9 -
- C21 H21 Bi O9 -
- C84 H84 Bi4 O36 -
4
1
HU1084
Burgess, J.; Fawcett, J.; Parsons, S.A.; Russell, D.R.
Tris(ethylmaltolato)bismuth(III)
Acta Crystallographica Section C
1,994
50
12
1911
1913
10.1107/S0108270194006463
0.71069
MoKα
null
0.0466
null
null
0.0469
null
null
null
null
null
null
null
null
null
has coordinates
Burgess, J.; Fawcett, J.; Parsons, S.A.; Russell, D.R. Tris(ethylmaltolato)bismuth(III) Acta Crystallographica Section C 50(12) (1994) 1911-1913
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/2/01/02/2010297.cif $ #-------------------------------------------------------------------...
2,010,298
15.9
0.004
8.456
0.002
9.725
0.003
90
null
121.19
0.02
90
null
1,118.5
0.6
295
null
null
null
null
null
null
null
5
C 1 2/m 1
-C 2y
12
guanidinium pentafluoroantimonate
- C2 H12 F5 N6 Sb -
- C2 H12 F5 N6 Sb -
- C8 H48 F20 N24 Sb4 -
4
0.5
HU1085
Małuszyńska, Hanna
Guanidinium pentafluoroantimonate
Acta Crystallographica Section C
1,994
50
12
1909
1911
10.1107/S0108270194007936
0.71069
MoKα
null
0.0231
null
null
0.0314
null
null
null
null
1.91
1.91
null
null
null
has coordinates
Małuszyńska, Hanna Guanidinium pentafluoroantimonate Acta Crystallographica Section C 50(12) (1994) 1909-1911
176,760
2020-10-21
18:00:00
#------------------------------------------------------------------------------ #$Date: 2016-02-20 00:18:51 +0200 (Sat, 20 Feb 2016) $ #$Revision: 176760 $ #$URL: file:///home/coder/svn-repositories/_RELOADED_COD/cod-reloaded/cif/2/01/02/2010298.cif $ #-------------------------------------------------------------------...
2,010,299
10.065
0.005
15.372
0.003
14.488
0.003
90
null
107.25
0.03
90
null
2,140.7
1.3
295
null
null
null
null
null
null
null
5
P 1 21/c 1
-P 2ybc
14
- C24 H20 N2 O3 S2 -
- C24 H20 N2 O3 S2 -
- C96 H80 N8 O12 S8 -
4
1
HU1086
Beddoes, R.L.; Kettle, J.G.; Joule, J.A.
A 3-phenylsulfinyl-1-phenylsulfonylindole
Acta Crystallographica Section C
1,994
50
12
1989
1992
10.1107/S0108270194003902
1.54178
CuKα
null
0.062
null
null
0.077
null
null
null
null
2.3
2.3
null
null
null
has coordinates
Beddoes, R.L.; Kettle, J.G.; Joule, J.A. A 3-phenylsulfinyl-1-phenylsulfonylindole Acta Crystallographica Section C 50(12) (1994) 1989-1992
301,798
2025-08-19
6:41:45
#------------------------------------------------------------------------------ #$Date: 2025-08-19 09:12:48 +0300 (Tue, 19 Aug 2025) $ #$Revision: 301798 $ #$URL: file:///home/coder/svn-repositories/_RELOADED_COD/cod-reloaded/cif/2/01/02/2010299.cif $ #-------------------------------------------------------------------...
2,010,300
8.7031
0.0008
7.3745
0.0003
9.1677
0.0004
90
null
97.694
0.005
90
null
583.1
0.06
295
null
null
null
null
null
null
null
4
P 1 21/m 1
-P 2yb
11
- C13 H15 N O2 -
- C13 H21 N O2 -
- C26 H42 N2 O4 -
2
0.5
HU1092
Garcia, J.G.; Enas, J.D.; Fronczek, F.R.
2,2-Dimethyl-5-(dimethylamino)indan-1,3-dione
Acta Crystallographica Section C
1,994
50
12
2025
2027
10.1107/S0108270194005238
1.54184
CuKα
null
0.044
null
null
0.068
null
null
null
null
3.558
3.558
null
null
null
has coordinates
Garcia, J.G.; Enas, J.D.; Fronczek, F.R. 2,2-Dimethyl-5-(dimethylamino)indan-1,3-dione Acta Crystallographica Section C 50(12) (1994) 2025-2027
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/2/01/03/2010300.cif $ #-------------------------------------------------------------------...
2,010,301
14.3
0.001
18.202
0.001
23.347
0.001
90
null
90
null
90
null
6,077
0.6
295
2
null
null
null
null
null
null
5
P b c a
-P 2ac 2ab
61
- C37 H32 Cl N Pd -
- C37 H32 Cl N Pd -
- C296 H256 Cl8 N8 Pd8 -
8
1
HU1095
Tomita, K.; Caires, A.C.; Luccaneto, V.A.De.; Mauro, A.E.
Structure of a cyclopalladated complex, [PdCl(C~37~H~32~N)]
Acta Crystallographica Section C
1,994
50
12
1872
1873
10.1107/S0108270194006475
0.71069
MoKα
null
0.052
null
null
0.041
null
null
null
null
3.62
3.62
null
null
null
has coordinates
Tomita, K.; Caires, A.C.; Luccaneto, V.A.De.; Mauro, A.E. Structure of a cyclopalladated complex, [PdCl(C~37~H~32~N)] Acta Crystallographica Section C 50(12) (1994) 1872-1873
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/2/01/03/2010301.cif $ #-------------------------------------------------------------------...
2,010,302
6.411
0.001
9.564
0.002
10.637
0.002
90
null
90
null
90
null
652.2
0.2
293
2
293
2
null
null
null
null
4
P n m a
-P 2ac 2n
62
methyltin(IV)trichlorine
Methyltin(IV) Trichloride
- C H3 Cl3 Sn -
- C H3 Cl3 Sn -
- C4 H12 Cl12 Sn4 -
4
0.5
HU1116
Frank, Walter; Reiss, Guido J.; Kuhn, Dietmar
Trichloromethyltin(IV)
Acta Crystallographica Section C
1,994
50
12
1904
1906
10.1107/S010827019400795X
0.71073
MoKα
0.0477
0.0446
null
0.0862
0.086
null
null
null
4.139
4.308
4.308
null
null
null
has coordinates
Frank, Walter; Reiss, Guido J.; Kuhn, Dietmar Trichloromethyltin(IV) Acta Crystallographica Section C 50(12) (1994) 1904-1906
176,760
2020-10-21
18:00:00
#------------------------------------------------------------------------------ #$Date: 2016-02-20 00:18:51 +0200 (Sat, 20 Feb 2016) $ #$Revision: 176760 $ #$URL: file:///home/coder/svn-repositories/_RELOADED_COD/cod-reloaded/cif/2/01/03/2010302.cif $ #-------------------------------------------------------------------...
2,010,303
6.193
0.002
10.609
0.002
15.492
0.004
90
null
86.42
0.02
90
null
1,015.9
0.5
291
null
null
null
null
null
null
null
3
P 1 21 1
P 2yb
4
- C11 H16 O2 -
- C11 H16 O2 -
- C44 H64 O8 -
4
2
HU1124
Cameron, T.S.; Jochem, K.; Morris, D.G.; Maguire, J.
Camphene-1-carboxylic acid: stereochemistry of the Nametkin shift
Acta Crystallographica Section C
1,994
50
12
2085
2087
10.1107/S0108270194006074
0.70926
MoKα
null
0.0407
null
null
0.0429
null
null
null
null
0.241
0.241
null
null
null
has coordinates
Cameron, T.S.; Jochem, K.; Morris, D.G.; Maguire, J. Camphene-1-carboxylic acid: stereochemistry of the Nametkin shift Acta Crystallographica Section C 50(12) (1994) 2085-2087
301,798
2025-08-19
6:41:45
#------------------------------------------------------------------------------ #$Date: 2025-08-19 09:12:48 +0300 (Tue, 19 Aug 2025) $ #$Revision: 301798 $ #$URL: file:///home/coder/svn-repositories/_RELOADED_COD/cod-reloaded/cif/2/01/03/2010303.cif $ #-------------------------------------------------------------------...
2,010,304
5.972
0.002
23.103
0.011
14.4
0.005
90
null
102.91
0.03
90
null
1,936.6
1.3
293
null
null
null
null
null
null
null
7
P 1 21/c 1
-P 2ybc
14
- C6 H10 Cl6 N4 O5 S2 Zn -
- C6 H10 Cl6 N4 O5 S2 Zn -
- C24 H40 Cl24 N16 O20 S8 Zn4 -
4
1
KA1068
Potočňák, I.; Dunaj-Jurčo, M.; Petříček, V.; Černák, J.
Bis(thiourea-κ<i>S</i>)bis(trichloroacetato-κ<i>O</i>)zinc(II) monohydrate
Acta Crystallographica Section C
1,994
50
12
1902
1904
10.1107/S0108270194004063
0.5609
AgKα
null
0.0572
null
null
0.0564
null
null
null
null
8.335
8.335
null
null
null
has coordinates
Potočňák, I.; Dunaj-Jurčo, M.; Petříček, V.; Černák, J. Bis(thiourea-κ<i>S</i>)bis(trichloroacetato-κ<i>O</i>)zinc(II) monohydrate Acta Crystallographica Section C 50(12) (1994) 1902-1904
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/2/01/03/2010304.cif $ #-------------------------------------------------------------------...
2,010,305
7.144
0.002
11.328
0.003
32.658
0.009
90
null
90
null
90
null
2,642.9
1.3
291
1
null
null
null
null
null
null
5
P 21 21 21
P 2ac 2ab
19
- C26 H30 O9 Pb S2 -
- C26 H24 O9 Pb S2 -
- C104 H96 O36 Pb4 S8 -
4
1
KA1085
Huber, F.; Remer, J.; Schürmann, M.
Diaquadiphenylbis(<i>p</i>-toluenesulfonato)lead‒water (1/1)
Acta Crystallographica Section C
1,994
50
12
1913
1915
10.1107/S0108270194007808
0.71073
MoKα
null
0.036
null
null
0.067
null
null
null
null
0.99
0.99
null
null
null
has coordinates
Huber, F.; Remer, J.; Schürmann, M. Diaquadiphenylbis(<i>p</i>-toluenesulfonato)lead‒water (1/1) Acta Crystallographica Section C 50(12) (1994) 1913-1915
176,760
2020-10-21
18:00:00
#------------------------------------------------------------------------------ #$Date: 2016-02-20 00:18:51 +0200 (Sat, 20 Feb 2016) $ #$Revision: 176760 $ #$URL: file:///home/coder/svn-repositories/_RELOADED_COD/cod-reloaded/cif/2/01/03/2010305.cif $ #-------------------------------------------------------------------...
2,010,306
7.373
0.002
7.546
0.003
10.579
0.003
90
null
90
null
90
null
588.6
0.3
299
null
299
null
null
null
null
null
4
C m c m
-C 2c 2
63
glycoluril
tetrahydroimidazo [4,5-d] imidazole-2,5 (1H, 3H)-dione
- C4 H6 N4 O2 -
- C4 H6 N4 O2 -
- C16 H24 N16 O8 -
4
0.25
KA1088
Xu, Shimin; Gantzel, Peter K.; Clark, Leigh B.
Glycoluril
Acta Crystallographica Section C
1,994
50
12
1988
1989
10.1107/S0108270194006955
0.71073
MoKα
0.0479
0.0405
null
0.1246
0.1163
null
null
null
1.081
1.114
1.114
null
null
null
has coordinates
Xu, Shimin; Gantzel, Peter K.; Clark, Leigh B. Glycoluril Acta Crystallographica Section C 50(12) (1994) 1988-1989
301,798
2025-08-19
6:41:45
#------------------------------------------------------------------------------ #$Date: 2025-08-19 09:12:48 +0300 (Tue, 19 Aug 2025) $ #$Revision: 301798 $ #$URL: file:///home/coder/svn-repositories/_RELOADED_COD/cod-reloaded/cif/2/01/03/2010306.cif $ #-------------------------------------------------------------------...
2,010,307
13.673
0.002
28.3
0.002
8.314
0.005
90
null
90
null
90
null
3,217
2
293
null
null
null
null
null
null
null
5
P 21 21 21
P 2ac 2ab
null
- C26 H33 Cl N4 O12 -
- C26 H33 Cl N4 O12 -
- C104 H132 Cl4 N16 O48 -
4
1
LI1072
Diánez, M. J.; Estrada, M. D.; López-Castro, A.; Pérez-Garrido, S.
Diethyl 6(<i>R</i>)-3-(4-chlorophenyl)-6-(tetra-<i>O</i>-acetyl-<small>D</small>-<i>arabino</i>-threitol-1-yl)-1,2,3,6-tetrahydro-1,2,3,4-tetrazine-1,2-dicarboxylate, C~26~H~33~ClN~4~O~12~
Acta Crystallographica Section C
1,994
50
12
1972
1974
10.1107/S0108270193013514
0.7107
MoKα
null
0.06
null
null
0.06
null
null
null
null
2.22
2.22
null
null
null
has coordinates
Diánez, M. J.; Estrada, M. D.; López-Castro, A.; Pérez-Garrido, S. Diethyl 6(<i>R</i>)-3-(4-chlorophenyl)-6-(tetra-<i>O</i>-acetyl-<small>D</small>-<i>arabino</i>-threitol-1-yl)-1,2,3,6-tetrahydro-1,2,3,4-tetrazine-1,2-dicarboxylate, C~26~H~33~ClN~4~O~12~ Acta Crystallographica Section C 50(12) (1994) 1972-1974
301,798
2025-08-19
6:41:45
#------------------------------------------------------------------------------ #$Date: 2025-08-19 09:12:48 +0300 (Tue, 19 Aug 2025) $ #$Revision: 301798 $ #$URL: file:///home/coder/svn-repositories/_RELOADED_COD/cod-reloaded/cif/2/01/03/2010307.cif $ #-------------------------------------------------------------------...
2,010,308
12.118
0.003
13.723
0.003
11.807
0.002
101.64
0.02
119.22
0.04
87.42
0.01
1,675.1
0.9
298
null
null
null
null
null
null
null
3
P -1
-P 1
2
- C24 H15 Br -
- C24 H15 Br -
- C96 H60 Br4 -
4
2
LI1080
Conole, G.; O'Donovan, G.J.; Shepherd, M.K.
5-Bromo-12-phenyltetracene
Acta Crystallographica Section C
1,994
50
12
1992
1995
10.1107/S0108270194002878
0.71069
MoKα
null
0.0564
null
null
0.0552
null
null
null
null
null
null
null
null
null
has coordinates
Conole, G.; O'Donovan, G.J.; Shepherd, M.K. 5-Bromo-12-phenyltetracene Acta Crystallographica Section C 50(12) (1994) 1992-1995
278,247
2022-09-28
15:09:32
#------------------------------------------------------------------------------ #$Date: 2022-09-28 18:08:17 +0300 (Wed, 28 Sep 2022) $ #$Revision: 278247 $ #$URL: file:///home/coder/svn-repositories/_RELOADED_COD/cod-reloaded/cif/2/01/03/2010308.cif $ #-------------------------------------------------------------------...
2,010,309
8.151
0.001
10.648
0.001
18.33
0.002
90
null
90
null
90
null
1,590.9
0.3
83
null
null
null
null
null
null
null
3
P b c a
-P 2ac 2ab
null
- C9 H10 O3 -
- C9 H10 O3 -
- C72 H80 O24 -
8
1
LI1083
Zukerman-Schpector, J.
6-Methyl-2-oxabicyclo[4.3.0]non-4-en-3,7-dione, C~9~H~10~O~3~
Acta Crystallographica Section C
1,994
50
12
2076
2077
10.1107/S0108270194000697
0.71073
MoKα
null
0.038
null
null
0.039
null
null
null
null
1.42
1.42
null
null
null
has coordinates
Zukerman-Schpector, J. 6-Methyl-2-oxabicyclo[4.3.0]non-4-en-3,7-dione, C~9~H~10~O~3~ Acta Crystallographica Section C 50(12) (1994) 2076-2077
301,798
2025-08-19
6:41:45
#------------------------------------------------------------------------------ #$Date: 2025-08-19 09:12:48 +0300 (Tue, 19 Aug 2025) $ #$Revision: 301798 $ #$URL: file:///home/coder/svn-repositories/_RELOADED_COD/cod-reloaded/cif/2/01/03/2010309.cif $ #-------------------------------------------------------------------...
2,010,310
21.217
0.002
11.555
0.001
13.079
0.002
90
null
108.61
0.01
90
null
3,038.8
0.6
292
null
null
null
null
null
null
null
5
C 1 2/c 1
-C 2yc
null
- C16 H16 N4 O S -
- C16 H16 N4 O S -
- C128 H128 N32 O8 S8 -
8
1
LI1084
Zukerman-Schpector, J.
A 5,6-dihydroimidazo[2,1-<i>b</i>]thiazole derivative
Acta Crystallographica Section C
1,994
50
12
2077
2079
10.1107/S010827019400288X
0.71073
MoKα
null
0.037
null
null
0.041
null
null
null
null
1.58
1.58
null
null
null
has coordinates
Zukerman-Schpector, J. A 5,6-dihydroimidazo[2,1-<i>b</i>]thiazole derivative Acta Crystallographica Section C 50(12) (1994) 2077-2079
301,798
2025-08-19
6:41:45
#------------------------------------------------------------------------------ #$Date: 2025-08-19 09:12:48 +0300 (Tue, 19 Aug 2025) $ #$Revision: 301798 $ #$URL: file:///home/coder/svn-repositories/_RELOADED_COD/cod-reloaded/cif/2/01/03/2010310.cif $ #-------------------------------------------------------------------...
2,010,311
11.007
0.002
7.726
0.001
12.194
0.002
90
null
115.71
0.02
90
null
934.3
0.3
292
null
null
null
null
null
null
null
3
P 1 21/c 1
-P 2ybc
null
- C10 H8 N4 -
- C10 H8 N4 -
- C40 H32 N16 -
4
1
LI1085
Zukerman-Schpector, J.; Barreiro, E.J.; Freitas, A.C.C.
Structures of pyrazole derivatives. III. 5-Amino-4-cyano-1-phenylpyrazole
Acta Crystallographica Section C
1,994
50
12
2095
2096
10.1107/S0108270193014556
0.71073
MoKα
null
0.0429
null
null
0.0434
null
null
null
null
1.33
1.33
null
null
null
has coordinates
Zukerman-Schpector, J.; Barreiro, E.J.; Freitas, A.C.C. Structures of pyrazole derivatives. III. 5-Amino-4-cyano-1-phenylpyrazole Acta Crystallographica Section C 50(12) (1994) 2095-2096
301,798
2025-08-19
6:41:45
#------------------------------------------------------------------------------ #$Date: 2025-08-19 09:12:48 +0300 (Tue, 19 Aug 2025) $ #$Revision: 301798 $ #$URL: file:///home/coder/svn-repositories/_RELOADED_COD/cod-reloaded/cif/2/01/03/2010311.cif $ #-------------------------------------------------------------------...
2,010,312
9.997
0.002
12.78
0.002
21.163
0.004
90
null
90
null
90
null
2,703.8
0.9
294
null
null
null
null
null
null
null
4
P 21 21 21
P 2ac 2ab
19
- C31 H41 N O4 -
- C31 H41 N O4 -
- C124 H164 N4 O16 -
4
1
LI1089
Sagar, M.B.; Ravikumar, K.; Rao, A.V.R.; Reddy, M.M.; Singh, A.K.
Structural studies of intermediates in the synthesis of mifepristone (RU 486). I. An 11β-substituted steroid
Acta Crystallographica Section C
1,994
50
12
2089
2093
10.1107/S0108270194003008
0.71069
MoKα
null
0.048
null
null
0.051
null
null
null
null
1.38
1.38
null
null
null
has coordinates
Sagar, M.B.; Ravikumar, K.; Rao, A.V.R.; Reddy, M.M.; Singh, A.K. Structural studies of intermediates in the synthesis of mifepristone (RU 486). I. An 11β-substituted steroid Acta Crystallographica Section C 50(12) (1994) 2089-2093
301,798
2025-08-19
6:41:45
#------------------------------------------------------------------------------ #$Date: 2025-08-19 09:12:48 +0300 (Tue, 19 Aug 2025) $ #$Revision: 301798 $ #$URL: file:///home/coder/svn-repositories/_RELOADED_COD/cod-reloaded/cif/2/01/03/2010312.cif $ #-------------------------------------------------------------------...
2,010,313
9.293
0.001
10.189
0.002
15.259
0.002
90
null
90
null
90
null
1,444.8
0.4
105
2
null
null
null
null
null
null
4
P 21 21 21
P 2ac 2ab
19
- C16 H19 N O4 -
- C16 H19 N O4 -
- C64 H76 N4 O16 -
4
1
LI1093
Zhu, N.; Reynolds, M.; Klein, C.L.; Trudell, M.
(–)-Norcocaine
Acta Crystallographica Section C
1,994
50
12
2067
2069
10.1107/S0108270194003367
0.7093
MoKα
null
0.04
null
null
0.05
null
null
null
null
1.98
1.98
null
null
null
has coordinates
Zhu, N.; Reynolds, M.; Klein, C.L.; Trudell, M. (–)-Norcocaine Acta Crystallographica Section C 50(12) (1994) 2067-2069
301,798
2025-08-19
6:41:45
#------------------------------------------------------------------------------ #$Date: 2025-08-19 09:12:48 +0300 (Tue, 19 Aug 2025) $ #$Revision: 301798 $ #$URL: file:///home/coder/svn-repositories/_RELOADED_COD/cod-reloaded/cif/2/01/03/2010313.cif $ #-------------------------------------------------------------------...
2,010,314
13.183
0.005
7.831
0.002
9.213
0.004
90
null
95.11
0.02
90
null
947.3
0.6
293
2
293
2
null
null
null
null
4
P 1 21 1
P 2yb
4
2-ethylthio-5-methyl-cyclododeca-6,7,8,9,10,11,12,13,14,15-decahydro [b]indole,
- C21 H31 N S -
- C21 H31 N S -
- C42 H62 N2 S2 -
2
1
LI1099
Ianelli, Sandra; Nardelli, Mario; Belletti, Daniele; Caubère, Caterine; Caubère, Paul; Jamart-Grégoire, Brigitte
2-Ethylthio-5-methyl-6,7,8,9,10,11,12,13,14,15-decahydrocyclododeca[<i>b</i>]indole: an unexpected product from the demethylation of an indole using Fujita's reagent
Acta Crystallographica Section C
1,994
50
12
1916
1919
10.1107/S0108270194003100
1.54056
X-rayCuKα~1~
0.0601
0.0326
null
0.092
0.0716
null
null
null
0.949
1.013
1.013
null
null
null
has coordinates
Ianelli, Sandra; Nardelli, Mario; Belletti, Daniele; Caubère, Caterine; Caubère, Paul; Jamart-Grégoire, Brigitte 2-Ethylthio-5-methyl-6,7,8,9,10,11,12,13,14,15-decahydrocyclododeca[<i>b</i>]indole: an unexpected product from the demethylation of an indole using Fujita's reagent Acta Crystallographica Section C 50(12) (...
301,798
2025-08-19
6:41:45
#------------------------------------------------------------------------------ #$Date: 2025-08-19 09:12:48 +0300 (Tue, 19 Aug 2025) $ #$Revision: 301798 $ #$URL: file:///home/coder/svn-repositories/_RELOADED_COD/cod-reloaded/cif/2/01/03/2010314.cif $ #-------------------------------------------------------------------...
2,010,315
13.706
0.006
9.908
0.004
8.126
0.003
90
null
105.29
0.03
90
null
1,064.4
0.8
293
2
293
2
null
null
null
null
4
P 1 21/n 1
-P 2yn
14
1,2-Dihydro-8-methyl-9H-carbazol-4(3H)-one
- C13 H13 N O -
- C13 H13 N O -
- C52 H52 N4 O4 -
4
1
LI1111
Ianelli, Sandra; Nardelli, Mario; Belletti, Daniele; Caubère, Caterine; Caubère, Paul; Jamart-Grégoire, Brigitte
1,2-Dihydro-8-methyl-4(3<i>H</i>)-carbazolone prepared by a new arynic cyclization reaction
Acta Crystallographica Section C
1,994
50
12
1919
1922
10.1107/S0108270194002611
1.54056
CuK-α~1~
0.116
0.083
null
0.3721
0.2314
null
null
null
1.074
1.114
1.114
null
null
null
has coordinates
Ianelli, Sandra; Nardelli, Mario; Belletti, Daniele; Caubère, Caterine; Caubère, Paul; Jamart-Grégoire, Brigitte 1,2-Dihydro-8-methyl-4(3<i>H</i>)-carbazolone prepared by a new arynic cyclization reaction Acta Crystallographica Section C 50(12) (1994) 1919-1922
301,798
2025-08-19
6:41:45
#------------------------------------------------------------------------------ #$Date: 2025-08-19 09:12:48 +0300 (Tue, 19 Aug 2025) $ #$Revision: 301798 $ #$URL: file:///home/coder/svn-repositories/_RELOADED_COD/cod-reloaded/cif/2/01/03/2010315.cif $ #-------------------------------------------------------------------...
2,010,316
32.649
0.008
6.1165
0.0007
29.739
0.003
90
null
124.36
0.01
90
null
4,902.5
1.5
293
null
293
null
null
null
null
null
5
C 1 2/c 1
-C 2yc
15
trans-1-(4-Iodophenyl)-1-(4-(2'-pyrrolidinoethoxy)phenyl)-2-phenylbutene
- C28 H30 I N O -
- C28 H30 I N O -
- C224 H240 I8 N8 O8 -
8
1
LI1116
Nunn, Christine M.; Parker, Esther J.
<i>trans</i>-1-(4-Iodophenyl)-2-phenyl-1-{4-[2-(1-pyrrolidinyl)ethoxy]phenyl}-1-butene, C~28~H~30~INO
Acta Crystallographica Section C
1,994
50
12
2043
2045
10.1107/S0108270194008309
0.71069
MoKα
0.032
0.028
null
0.042
0.041
null
null
null
1.58
1.63
1.63
null
null
null
has coordinates
Nunn, Christine M.; Parker, Esther J. <i>trans</i>-1-(4-Iodophenyl)-2-phenyl-1-{4-[2-(1-pyrrolidinyl)ethoxy]phenyl}-1-butene, C~28~H~30~INO Acta Crystallographica Section C 50(12) (1994) 2043-2045
301,798
2025-08-19
6:41:45
#------------------------------------------------------------------------------ #$Date: 2025-08-19 09:12:48 +0300 (Tue, 19 Aug 2025) $ #$Revision: 301798 $ #$URL: file:///home/coder/svn-repositories/_RELOADED_COD/cod-reloaded/cif/2/01/03/2010316.cif $ #-------------------------------------------------------------------...
2,010,317
16.895
0.003
10.108
0.004
14.15
0.004
90
null
102.6
0.02
90
null
2,358.3
1.2
296
null
null
null
null
null
null
null
6
P 1 21/c 1
-P 2ybc
null
- C30 H24 Br2 Cl2 Cu S24 -
- C30 H24 Br4 Cl4 Cu S24 -
- C60 H48 Br8 Cl8 Cu2 S48 -
2
0.5
MU1086
Hebrard, S.; Bravic, G.; Gaultier, J.; Chasseau, D.; Kurmoo, M.; Kanazawa, D.; Day, P.
(BEDT-TFF)~3~[CuBr~2~Cl~2~]
Acta Crystallographica Section C
1,994
50
12
1892
1894
10.1107/S0108270194005536
0.71069
MoKα
null
0.036
null
null
0.034
null
null
null
null
0.95
0.95
null
null
null
has coordinates
Hebrard, S.; Bravic, G.; Gaultier, J.; Chasseau, D.; Kurmoo, M.; Kanazawa, D.; Day, P. (BEDT-TFF)~3~[CuBr~2~Cl~2~] Acta Crystallographica Section C 50(12) (1994) 1892-1894
176,760
2020-10-21
18:00:00
#------------------------------------------------------------------------------ #$Date: 2016-02-20 00:18:51 +0200 (Sat, 20 Feb 2016) $ #$Revision: 176760 $ #$URL: file:///home/coder/svn-repositories/_RELOADED_COD/cod-reloaded/cif/2/01/03/2010317.cif $ #-------------------------------------------------------------------...
2,010,318
17.001
0.003
10.14
0.002
14.178
0.003
90
null
102.75
0.03
90
null
2,383.9
0.9
296
null
null
null
null
null
null
null
5
P 1 21/c 1
-P 2ybc
null
- C30 H24 Br4 Cu S24 -
- C30 H24 Br4 Cu S24 -
- C60 H48 Br8 Cu2 S48 -
2
0.5
MU1087
Guionneau, P.; Bravic, G.; Gaultier, J.; Chasseau, D.; Kurmoo, M.; Kanazawa, D.; Day, P.
(BEDT-TTF)~3~[CuBr~4~]
Acta Crystallographica Section C
1,994
50
12
1894
1896
10.1107/S0108270194005548
0.71069
MoKα
null
0.034
null
null
0.037
null
null
null
null
0.97
0.97
null
null
null
has coordinates
Guionneau, P.; Bravic, G.; Gaultier, J.; Chasseau, D.; Kurmoo, M.; Kanazawa, D.; Day, P. (BEDT-TTF)~3~[CuBr~4~] Acta Crystallographica Section C 50(12) (1994) 1894-1896
176,760
2020-10-21
18:00:00
#------------------------------------------------------------------------------ #$Date: 2016-02-20 00:18:51 +0200 (Sat, 20 Feb 2016) $ #$Revision: 176760 $ #$URL: file:///home/coder/svn-repositories/_RELOADED_COD/cod-reloaded/cif/2/01/03/2010318.cif $ #-------------------------------------------------------------------...
2,010,319
9.4528
0.0014
11.4874
0.0018
15.494
0.002
72.056
0.013
87.55
0.012
74.118
0.012
1,537.9
0.4
298
null
null
null
null
null
null
null
5
P -1
-P 1
2
- C66 H60 Mo2 O8 P4 -
- C66 H60 Mo2 O8 P4 -
- C66 H60 Mo2 O8 P4 -
1
0.5
MU1095
Ueng, C.-H.; Hwang, J.-L.
<i>trans</i>-[Mo~2~(CO)~8~(μ-dppp~e~)~2~] [dppp~e~ = Ph~2~P(CH~2~)~5~PPh~2~]
Acta Crystallographica Section C
1,994
50
12
1866
1868
10.1107/S0108270194005573
0.71073
MoKα
null
0.041
null
null
0.044
null
null
null
null
1.99
1.99
null
null
null
has coordinates
Ueng, C.-H.; Hwang, J.-L. <i>trans</i>-[Mo~2~(CO)~8~(μ-dppp~e~)~2~] [dppp~e~ = Ph~2~P(CH~2~)~5~PPh~2~] Acta Crystallographica Section C 50(12) (1994) 1866-1868
176,760
2020-10-21
18:00:00
#------------------------------------------------------------------------------ #$Date: 2016-02-20 00:18:51 +0200 (Sat, 20 Feb 2016) $ #$Revision: 176760 $ #$URL: file:///home/coder/svn-repositories/_RELOADED_COD/cod-reloaded/cif/2/01/03/2010319.cif $ #-------------------------------------------------------------------...
2,010,320
7.5371
0.0007
7.7348
0.0007
8.5907
0.0008
79.031
0.007
81.474
0.008
64.451
0.007
442.35
0.08
300
null
null
null
null
null
null
null
4
P -1
-P 1
2
- C18 H14 Cr2 O6 -
- C18 H14 Cr2 O6 -
- C18 H14 Cr2 O6 -
1
0.5
MU1098
Chen, W.; Goh, L.Y.; Tay, M.S.
Bis(tricarbonyl-η^5^-methylcyclopentadienylchromium)(<i>Cr</i>—<i>Cr</i>)
Acta Crystallographica Section C
1,994
50
12
1874
1875
10.1107/S0108270194005585
0.71073
MoKα
null
0.03
null
null
0.035
null
null
null
null
0.587
0.587
null
null
null
has coordinates
Chen, W.; Goh, L.Y.; Tay, M.S. Bis(tricarbonyl-η^5^-methylcyclopentadienylchromium)(<i>Cr</i>—<i>Cr</i>) Acta Crystallographica Section C 50(12) (1994) 1874-1875
301,798
2025-08-19
6:41:45
#------------------------------------------------------------------------------ #$Date: 2025-08-19 09:12:48 +0300 (Tue, 19 Aug 2025) $ #$Revision: 301798 $ #$URL: file:///home/coder/svn-repositories/_RELOADED_COD/cod-reloaded/cif/2/01/03/2010320.cif $ #-------------------------------------------------------------------...
2,010,321
9.532
0.004
12.696
0.005
13.116
0.004
86.13
0.03
84.09
0.03
80.51
0.03
1,555.2
1
298
null
null
null
null
null
null
null
5
P -1
-P 1
2
- C24 H38 Au2 P2 S4 -
- C24 H38 Au2 P2 S4 -
- C48 H76 Au4 P4 S8 -
2
1
MU1100
Dávila, R.M.; Staples, R.J.; Fackler Jr, J.P.
Bis(triethylphosphine)gold(I) bis(1,2-benzenedithiolato-<i>S</i>,<i>S</i>')gold(III), [Au{P(C~2~H~5~)~3~}~2~][Au(S~2~C~6~H~4~)~2~]
Acta Crystallographica Section C
1,994
50
12
1898
1900
10.1107/S0108270194005780
0.71073
MoKα
null
0.035
null
null
0.0395
null
null
null
null
1.218
1.218
null
null
null
has coordinates
Dávila, R.M.; Staples, R.J.; Fackler Jr, J.P. Bis(triethylphosphine)gold(I) bis(1,2-benzenedithiolato-<i>S</i>,<i>S</i>')gold(III), [Au{P(C~2~H~5~)~3~}~2~][Au(S~2~C~6~H~4~)~2~] Acta Crystallographica Section C 50(12) (1994) 1898-1900
176,760
2020-10-21
18:00:00
#------------------------------------------------------------------------------ #$Date: 2016-02-20 00:18:51 +0200 (Sat, 20 Feb 2016) $ #$Revision: 176760 $ #$URL: file:///home/coder/svn-repositories/_RELOADED_COD/cod-reloaded/cif/2/01/03/2010321.cif $ #-------------------------------------------------------------------...
2,010,322
8.384
0.004
17.147
0.004
14.889
0.004
90
null
99.26
0.03
90
null
2,112.6
1.3
296
2
null
null
null
null
null
null
6
P 1 21/n 1
-P 2yn
14
Bis[2,4-dimorpholino-6-phenyl-1,3,5-oxadiazinium] hexachlorodicuprate
- C34 H42 Cl6 Cu2 N8 O6 -
- C34 H42 Cl6 Cu2 N8 O6 -
- C68 H84 Cl12 Cu4 N16 O12 -
2
0.5
MU1126
Kivikoski, Jussi; Fernández, Vicente; Howard, Judith A.K.; Hartung, Jürgen
Bis(2,4-dimorpholino-6-phenyl-1,3,5-oxadiazinium) hexachlorodicuprate
Acta Crystallographica Section C
1,994
50
12
1886
1888
10.1107/S0108270194007572
0.71073
MoKα
null
0.056
null
null
0.056
null
null
null
null
0.656
0.656
null
null
null
has coordinates
Kivikoski, Jussi; Fernández, Vicente; Howard, Judith A.K.; Hartung, Jürgen Bis(2,4-dimorpholino-6-phenyl-1,3,5-oxadiazinium) hexachlorodicuprate Acta Crystallographica Section C 50(12) (1994) 1886-1888
176,760
2020-10-21
18:00:00
#------------------------------------------------------------------------------ #$Date: 2016-02-20 00:18:51 +0200 (Sat, 20 Feb 2016) $ #$Revision: 176760 $ #$URL: file:///home/coder/svn-repositories/_RELOADED_COD/cod-reloaded/cif/2/01/03/2010322.cif $ #-------------------------------------------------------------------...
2,010,323
10.65
0.001
13.895
0.001
13.892
0.001
90
null
99.55
0.01
90
null
2,027.3
0.3
293
null
293
null
null
null
null
null
5
P 1 21/n 1
-P 2yn
14
- C15 H18 Co N3 O12 -
- C15 H18 Co N3 O12 -
- C60 H72 Co4 N12 O48 -
4
1
MU1135
Sharma, Raj P.; Gupta, Vijay; Bhasin, Kuldip K.; Quirós, Miguel; Salas, Juan M.
Structural analogues of ferroverdin. Tris(methyl isonitrosoacetoacetato)cobalt(III)
Acta Crystallographica Section C
1,994
50
12
1875
1878
10.1107/S0108270194007596
0.71073
MoKα
null
0.056
null
null
0.084
null
null
null
null
0.92
0.92
null
null
null
has coordinates
Sharma, Raj P.; Gupta, Vijay; Bhasin, Kuldip K.; Quirós, Miguel; Salas, Juan M. Structural analogues of ferroverdin. Tris(methyl isonitrosoacetoacetato)cobalt(III) Acta Crystallographica Section C 50(12) (1994) 1875-1878
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/2/01/03/2010323.cif $ #-------------------------------------------------------------------...
2,010,324
5.508
0.001
10.828
0.002
14.363
0.003
90
null
90
null
90
null
856.6
0.3
153
2
153
2
null
null
null
null
4
P 21 21 21
P 2ac 2ab
19
1,6-Dimethyltetrahydroimidazo[4,5-d]imidazole-2,5(1H,6H)-dione monohydrate
- C6 H12 N4 O3 -
- C6 H12 N4 O3 -
- C24 H48 N16 O12 -
4
1
NA1080
Dekaprilevich, Marina O.; Suvorova, Lyudmila I.; Khmelnitskii, Lenor I.; Struchkov, Yuri T.
1,6-Dimethyltetrahydroimidazo[4,5-<i>d</i>]-imidazole-2,5(1<i>H</i>,6<i>H</i>)-dione monohydrate
Acta Crystallographica Section C
1,994
50
12
2056
2058
10.1107/S0108270194004555
0.71069
MoKα
0.0755
0.0563
null
0.1675
0.1503
null
null
null
1.08
1.087
1.087
null
null
null
has coordinates
Dekaprilevich, Marina O.; Suvorova, Lyudmila I.; Khmelnitskii, Lenor I.; Struchkov, Yuri T. 1,6-Dimethyltetrahydroimidazo[4,5-<i>d</i>]-imidazole-2,5(1<i>H</i>,6<i>H</i>)-dione monohydrate Acta Crystallographica Section C 50(12) (1994) 2056-2058
301,798
2025-08-19
6:41:45
#------------------------------------------------------------------------------ #$Date: 2025-08-19 09:12:48 +0300 (Tue, 19 Aug 2025) $ #$Revision: 301798 $ #$URL: file:///home/coder/svn-repositories/_RELOADED_COD/cod-reloaded/cif/2/01/03/2010324.cif $ #-------------------------------------------------------------------...
2,010,325
5.154
0.004
14.253
0.005
10.4
0.005
90
null
99.61
0.06
90
null
753.3
0.7
293
null
293
null
null
null
null
null
4
P 1 21/n 1
-P 2yn
14
trans-5-nitro-2-furanacrylic acid
- C7 H5 N O5 -
- C7 H5 N O5 -
- C28 H20 N4 O20 -
4
1
NA1083
Olszak, Tomasz A.; Peeters, Oswald M.; Blaton, Norbert M.; De Ranter, Camiel J.
<i>trans</i>-5-Nitro-2-furanacrylic acid
Acta Crystallographica Section C
1,994
50
12
1930
1931
10.1107/S0108270194007924
0.71069
MoKα
null
0.041
null
null
0.053
null
null
null
null
1.033
1.033
null
null
null
has coordinates
Olszak, Tomasz A.; Peeters, Oswald M.; Blaton, Norbert M.; De Ranter, Camiel J. <i>trans</i>-5-Nitro-2-furanacrylic acid Acta Crystallographica Section C 50(12) (1994) 1930-1931
301,798
2025-08-19
6:41:45
#------------------------------------------------------------------------------ #$Date: 2025-08-19 09:12:48 +0300 (Tue, 19 Aug 2025) $ #$Revision: 301798 $ #$URL: file:///home/coder/svn-repositories/_RELOADED_COD/cod-reloaded/cif/2/01/03/2010325.cif $ #-------------------------------------------------------------------...
2,010,326
29.464
0.007
13.861
0.004
8.515
0.002
90
null
90
null
90
null
3,477.5
1.5
293
null
null
null
null
null
null
null
4
P c c n
-P 2ab 2ac
56
- C22 H20 N2 O -
- C22 H20 N2 O -
- C176 H160 N16 O8 -
8
1
NA1085
Millini, Roberto; Piero, Gasto Del; Allegrini, Pietro; Nodari, Nereo
Chemical degradation of spiroindolinonaphthoxazines: 8,13,13-trimethyl-7a,8-dihydronaphtho[2,1-<i>b</i>]quinolino[3,2-<i>e</i>][1,4]oxazine, C~22~H~20~N~2~O
Acta Crystallographica Section C
1,994
50
12
2096
2098
10.1107/S0108270194004968
1.54178
CuKα
null
0.0564
null
null
0.0453
null
null
null
null
1.54
1.54
null
null
null
has coordinates
Millini, Roberto; Piero, Gasto Del; Allegrini, Pietro; Nodari, Nereo Chemical degradation of spiroindolinonaphthoxazines: 8,13,13-trimethyl-7a,8-dihydronaphtho[2,1-<i>b</i>]quinolino[3,2-<i>e</i>][1,4]oxazine, C~22~H~20~N~2~O Acta Crystallographica Section C 50(12) (1994) 2096-2098
301,798
2025-08-19
6:41:45
#------------------------------------------------------------------------------ #$Date: 2025-08-19 09:12:48 +0300 (Tue, 19 Aug 2025) $ #$Revision: 301798 $ #$URL: file:///home/coder/svn-repositories/_RELOADED_COD/cod-reloaded/cif/2/01/03/2010326.cif $ #-------------------------------------------------------------------...
2,010,327
12.925
0.003
14.16
0.004
23.97
0.006
90
null
90
null
90
null
4,386.9
1.9
298
null
298
null
null
null
null
null
4
P 21 21 21
P 2ac 2ab
19
30-dechloro-30-methoxy-25-O-methyl-N-methylnaphthomycin A
- C44 H59 N O12 -
- C44 H50 N O12 -
- C176 H200 N4 O48 -
4
1
NA1096
Cellai, Luciano; Cerrini, Silvio; Lamba, Doriano; Burla, Maria Cristina; Brufani, Mario; Fedeli, Walter; Keller-Schierlein, Walter
30-Dechloro-30-methoxy-25-<i>O</i>-methyl-<i>N</i>-methylnaphthomycin A
Acta Crystallographica Section C
1,994
50
12
2060
2064
10.1107/S0108270194008140
0.71069
MoKα
0.1771
0.0931
null
0.0875
0.0828
null
null
null
null
1.63
1.63
null
null
null
has coordinates
Cellai, Luciano; Cerrini, Silvio; Lamba, Doriano; Burla, Maria Cristina; Brufani, Mario; Fedeli, Walter; Keller-Schierlein, Walter 30-Dechloro-30-methoxy-25-<i>O</i>-methyl-<i>N</i>-methylnaphthomycin A Acta Crystallographica Section C 50(12) (1994) 2060-2064
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/2/01/03/2010327.cif $ #-------------------------------------------------------------------...
2,010,328
14.663
0.001
10.109
0.001
14.837
0.001
80.76
0.01
81.71
0.01
80.71
0.01
2,126.4
0.3
293
2
293
2
null
null
null
null
4
P -1
-P 1
2
- C44 H52 N4 O8 -
- C44 H52 N4 O8 -
- C88 H104 N8 O16 -
2
1
NA1104
Tinant, Bernard; Declercq, Jean-Paul; Lepropre, Guy; Fastrez, Jacques
Tetraaza[3.3.3.3]- and hexaaza[3.3.3.3.3.3]paracyclophane derivatives
Acta Crystallographica Section C
1,994
50
12
1982
1985
10.1107/S0108270194005421
1.5418
CuKα
0.1072
0.0691
null
0.2215
0.2002
null
null
null
1.006
1.255
1.255
null
null
null
has coordinates
Tinant, Bernard; Declercq, Jean-Paul; Lepropre, Guy; Fastrez, Jacques Tetraaza[3.3.3.3]- and hexaaza[3.3.3.3.3.3]paracyclophane derivatives Acta Crystallographica Section C 50(12) (1994) 1982-1985
301,798
2025-08-19
6:41:45
#------------------------------------------------------------------------------ #$Date: 2025-08-19 09:12:48 +0300 (Tue, 19 Aug 2025) $ #$Revision: 301798 $ #$URL: file:///home/coder/svn-repositories/_RELOADED_COD/cod-reloaded/cif/2/01/03/2010328.cif $ #-------------------------------------------------------------------...
2,010,329
18.075
0.003
17.946
0.002
9.658
0.002
90
null
90.04
0.01
90
null
3,132.8
0.9
293
2
293
2
null
null
null
null
4
P 1 21/c 1
-P 2ybc
14
- C66 H78 N6 O12 -
- C66 H78 N6 O12 -
- C132 H156 N12 O24 -
2
0.5
NA1104
Tinant, Bernard; Declercq, Jean-Paul; Lepropre, Guy; Fastrez, Jacques
Tetraaza[3.3.3.3]- and hexaaza[3.3.3.3.3.3]paracyclophane derivatives
Acta Crystallographica Section C
1,994
50
12
1982
1985
10.1107/S0108270194005421
1.5418
CuKα
0.0893
0.0564
null
0.1629
0.1512
null
null
null
1.035
1.245
1.245
null
null
null
has coordinates
Tinant, Bernard; Declercq, Jean-Paul; Lepropre, Guy; Fastrez, Jacques Tetraaza[3.3.3.3]- and hexaaza[3.3.3.3.3.3]paracyclophane derivatives Acta Crystallographica Section C 50(12) (1994) 1982-1985
301,798
2025-08-19
6:41:45
#------------------------------------------------------------------------------ #$Date: 2025-08-19 09:12:48 +0300 (Tue, 19 Aug 2025) $ #$Revision: 301798 $ #$URL: file:///home/coder/svn-repositories/_RELOADED_COD/cod-reloaded/cif/2/01/03/2010329.cif $ #-------------------------------------------------------------------...
2,010,330
9.119
0.002
11.039
0.002
17.971
0.001
90
null
101.07
0.01
90
null
1,775.4
0.5
23
null
23
null
null
null
null
null
6
P 1 n 1
P -2yac
7
cis-bis(triphenylphosphine)(maleonitriledithiolato)palladium
- C40 H30 N2 P2 Pd S2 -
- C40 H30 N2 P2 Pd S2 -
- C80 H60 N4 P4 Pd2 S4 -
2
1
NA1118
Ebihara, Masahiro; Tsuchiya, Masaki; Kawamura, Takashi
A distorted planar palladium complex with maleonitriledithiolato and triphenylphosphine ligands, [Pd(PPh~3~)~2~(mnt)]
Acta Crystallographica Section C
1,994
50
12
1880
1882
10.1107/S0108270194008516
0.7107
MolybdenumKα
null
0.046
null
null
0.057
null
null
null
null
2.44
2.44
null
null
null
has coordinates
Ebihara, Masahiro; Tsuchiya, Masaki; Kawamura, Takashi A distorted planar palladium complex with maleonitriledithiolato and triphenylphosphine ligands, [Pd(PPh~3~)~2~(mnt)] Acta Crystallographica Section C 50(12) (1994) 1880-1882
176,760
2020-10-21
18:00:00
#------------------------------------------------------------------------------ #$Date: 2016-02-20 00:18:51 +0200 (Sat, 20 Feb 2016) $ #$Revision: 176760 $ #$URL: file:///home/coder/svn-repositories/_RELOADED_COD/cod-reloaded/cif/2/01/03/2010330.cif $ #-------------------------------------------------------------------...
2,010,331
6.549
0.002
6.918
0.003
8.04
0.004
83.22
0.04
68.64
0.04
68.7
0.03
316
0.3
294
null
null
null
null
null
null
null
5
P -1
-P 1
2
- C2 H8 Cl2 N2 Pt -
- C2 H8 Cl2 N2 Pt -
- C4 H16 Cl4 N4 Pt2 -
2
1
OH1064
Ellis, L.T.; Hambley, T.W.
Dichloro(ethylenediamine)platinum(II)
Acta Crystallographica Section C
1,994
50
12
1888
1889
10.1107/S0108270194006840
0.71069
MoKα
null
0.02
null
null
0.024
null
null
null
null
1.03
1.03
null
null
null
has coordinates
Ellis, L.T.; Hambley, T.W. Dichloro(ethylenediamine)platinum(II) Acta Crystallographica Section C 50(12) (1994) 1888-1889
190,732
2020-10-21
18:00:00
#------------------------------------------------------------------------------ #$Date: 2017-01-19 18:22:45 +0200 (Thu, 19 Jan 2017) $ #$Revision: 190732 $ #$URL: file:///home/coder/svn-repositories/_RELOADED_COD/cod-reloaded/cif/2/01/03/2010331.cif $ #-------------------------------------------------------------------...
2,010,332
6.443
0.002
7.476
0.002
8.058
0.003
72.27
0.02
80.82
0.03
76.23
0.02
357.5
0.2
294
null
null
null
null
null
null
null
4
P -1
-P 1
2
- C5 H8 N2 O5 -
- C5 H8 N2 O5 -
- C10 H16 N4 O10 -
2
1
OH1065
Zvargulis, Evan S.; Hambley, Trevor W.
Redetermination of the structure of <i>N</i>-carbamyl-<small>D</small>,<small>L</small>-aspartic acid
Acta Crystallographica Section C
1,994
50
12
2058
2060
10.1107/S0108270194006852
0.71069
MoKα
null
0.03
null
null
0.043
null
null
null
null
4.88
4.88
null
null
null
has coordinates
Zvargulis, Evan S.; Hambley, Trevor W. Redetermination of the structure of <i>N</i>-carbamyl-<small>D</small>,<small>L</small>-aspartic acid Acta Crystallographica Section C 50(12) (1994) 2058-2060
301,798
2025-08-19
6:41:45
#------------------------------------------------------------------------------ #$Date: 2025-08-19 09:12:48 +0300 (Tue, 19 Aug 2025) $ #$Revision: 301798 $ #$URL: file:///home/coder/svn-repositories/_RELOADED_COD/cod-reloaded/cif/2/01/03/2010332.cif $ #-------------------------------------------------------------------...
2,010,333
7.85
0.003
23.17
0.01
7.212
0.003
90
null
110.64
0.03
90
null
1,227.6
0.9
273
null
null
null
null
null
null
null
4
P 1 21/c 1
-P 2ybc
14
- C13 H14 N4 O -
- C13 H14 N4 O -
- C52 H56 N16 O4 -
4
1
PA1089
Rodier, N.; Rideau, O.; Robert,J.-M.; Le Baut, G.
<i>N</i>-(4,6-Diméthylpyrid-2-yl)-5-méthyl-pyrazine-2-carboxamide
Acta Crystallographica Section C
1,994
50
12
1960
1962
10.1107/S0108270194001514
0.7107
MoKᾱ
null
0.056
null
null
0.054
null
null
null
null
1.445
1.445
null
null
null
has coordinates
Rodier, N.; Rideau, O.; Robert,J.-M.; Le Baut, G. <i>N</i>-(4,6-Diméthylpyrid-2-yl)-5-méthyl-pyrazine-2-carboxamide Acta Crystallographica Section C 50(12) (1994) 1960-1962
301,798
2025-08-19
6:41:45
#------------------------------------------------------------------------------ #$Date: 2025-08-19 09:12:48 +0300 (Tue, 19 Aug 2025) $ #$Revision: 301798 $ #$URL: file:///home/coder/svn-repositories/_RELOADED_COD/cod-reloaded/cif/2/01/03/2010333.cif $ #-------------------------------------------------------------------...
2,010,334
10.041
0.002
17.962
0.002
7.259
0.003
90
null
90
null
90
null
1,309.2
0.6
295
2
295
2
null
null
null
null
3
P c a 21
null
- C12 H22 S2 -
- C12 H22 S2 -
- C48 H88 S8 -
4
1
PA1102
Gabriele Bocelli; Andrea Cantoni; Pietro Cozzini
Stereochemistry of rings. XVIII. 8-<i>tert</i>-Butyl-1,4-dithiaspiro[4.5]decane
Acta Crystallographica Section C
1,994
50
12
2098
2100
10.1107/S0108270194005950
1.5418
CuKα
null
0.066
null
null
0.068
null
null
null
null
0.731
0.731
null
null
null
has coordinates
Gabriele Bocelli; Andrea Cantoni; Pietro Cozzini Stereochemistry of rings. XVIII. 8-<i>tert</i>-Butyl-1,4-dithiaspiro[4.5]decane Acta Crystallographica Section C 50(12) (1994) 2098-2100
301,798
2025-08-19
6:41:45
#------------------------------------------------------------------------------ #$Date: 2025-08-19 09:12:48 +0300 (Tue, 19 Aug 2025) $ #$Revision: 301798 $ #$URL: file:///home/coder/svn-repositories/_RELOADED_COD/cod-reloaded/cif/2/01/03/2010334.cif $ #-------------------------------------------------------------------...
2,010,335
11.519
0.003
13.456
0.003
5.974
0.001
90
null
90
null
90
null
926
0.4
293
2
293
2
null
null
null
null
5
C m c m
-C 2c 2
63
- C Ba3 F7 O3 Sc -
- C Ba3 F7 O3 Sc -
- C4 Ba12 F28 O12 Sc4 -
4
0.25
N. Mercier; Marc Leblanc
A Scandium Fluorocarbonate, Ba~3~Sc(CO~3)~F~7~
Acta Crystallographica Section C
1,994
50
1862
1864
null
null
0.0248
null
null
0.0659
null
null
null
null
null
null
null
null
null
has coordinates
N. Mercier; Marc Leblanc A Scandium Fluorocarbonate, Ba~3~Sc(CO~3)~F~7~ Acta Crystallographica Section C 50 (1994) 1862-1864
277,834
2022-09-14
16:39:43
#------------------------------------------------------------------------------ #$Date: 2022-09-14 19:38:48 +0300 (Wed, 14 Sep 2022) $ #$Revision: 277834 $ #$URL: file:///home/coder/svn-repositories/_RELOADED_COD/cod-reloaded/cif/2/01/03/2010335.cif $ #-------------------------------------------------------------------...
2,010,336
6.596
0.004
10.774
0.004
14.09
0.01
90
null
90
null
90
null
1,001.3
1
293
2
293
2
null
null
null
null
5
P b c a
-P 2ac 2ab
61
- C Eu F3 Na2 O3 -
- C Eu F3 Na2 O3 -
- C8 Eu8 F24 Na16 O24 -
8
1
Mercier, Nicolas; Leblanc, Marc
A new rare earth fluorocarbonate, Na~2~Eu(CO~3~)F~3~
Acta Crystallographica, Section C: Crystal Structure Communications
1,994
50
12
1864
1865
10.1107/s010827019400733x
null
null
0.0177
null
null
0.0451
null
null
null
null
null
null
null
null
null
has coordinates
Mercier, Nicolas; Leblanc, Marc A new rare earth fluorocarbonate, Na~2~Eu(CO~3~)F~3~ Acta Crystallographica, Section C: Crystal Structure Communications 50(12) (1994) 1864-1865
277,834
2022-09-14
16:39:43
#------------------------------------------------------------------------------ #$Date: 2022-09-14 19:38:48 +0300 (Wed, 14 Sep 2022) $ #$Revision: 277834 $ #$URL: file:///home/coder/svn-repositories/_RELOADED_COD/cod-reloaded/cif/2/01/03/2010336.cif $ #-------------------------------------------------------------------...
2,010,337
12.849
0.003
12.675
0.003
15.076
0.003
90
null
103.95
0.05
90
null
2,382.9
1.1
293
null
null
null
null
null
null
null
4
P 1 21/n 1
-P 2yn
14
- C28 H21 N O10 -
- C28 H21 N O10 -
- C112 H84 N4 O40 -
4
1
SE1045
Paulus, E.F.; Dornberger, K.; Werner, W.; Fenske, D.
Madurahydroxylactone
Acta Crystallographica Section C
1,994
50
12
2064
2067
10.1107/S0108270194003185
0.71073
MoKα
null
0.149
null
null
0.12
null
null
null
null
2.22
2.22
null
null
null
has coordinates
Paulus, E.F.; Dornberger, K.; Werner, W.; Fenske, D. Madurahydroxylactone Acta Crystallographica Section C 50(12) (1994) 2064-2067
301,798
2025-08-19
6:41:45
#------------------------------------------------------------------------------ #$Date: 2025-08-19 09:12:48 +0300 (Tue, 19 Aug 2025) $ #$Revision: 301798 $ #$URL: file:///home/coder/svn-repositories/_RELOADED_COD/cod-reloaded/cif/2/01/03/2010337.cif $ #-------------------------------------------------------------------...
2,010,338
7.1189
0.0004
25.685
0.003
11.1476
0.0009
90
null
98.641
0.006
90
null
2,015.2
0.3
293
null
293
null
null
null
null
null
5
P 1 21/n 1
-P 2yn
14
8-Chloro-3,6-dioxaoctyl-(E,E)-3-(3,5-dichloro-2-hydroxyphenylazo)-2-chloro- 2-but-enoat
- C16 H18 Cl4 N2 O5 -
- C16 H18 Cl4 N2 O5 -
- C64 H72 Cl16 N8 O20 -
4
1
SE1046
Ramm, Matthias; Baumann, Hendrik; Kirschke, Klaus
8-Chloro-3,6-dioxaoctyl (<i>E</i>,<i>E</i>)-2-chloro-3-(3,5-dichloro-2-hydroxyphenylazo)-2-butenoate
Acta Crystallographica Section C
1,994
50
12
2072
2074
10.1107/S0108270194000879
1.54184
CuKα
null
0.045
null
null
0.071
null
null
null
null
2.459
2.459
null
null
null
has coordinates
Ramm, Matthias; Baumann, Hendrik; Kirschke, Klaus 8-Chloro-3,6-dioxaoctyl (<i>E</i>,<i>E</i>)-2-chloro-3-(3,5-dichloro-2-hydroxyphenylazo)-2-butenoate Acta Crystallographica Section C 50(12) (1994) 2072-2074
301,798
2025-08-19
6:41:45
#------------------------------------------------------------------------------ #$Date: 2025-08-19 09:12:48 +0300 (Tue, 19 Aug 2025) $ #$Revision: 301798 $ #$URL: file:///home/coder/svn-repositories/_RELOADED_COD/cod-reloaded/cif/2/01/03/2010338.cif $ #-------------------------------------------------------------------...
2,010,339
13.58
0.002
6.437
0.001
5.895
0.001
90
null
92.12
0.01
90
null
514.96
0.14
293
null
null
null
null
null
null
null
3
C 1 2/m 1
-C 2y
12
- C12 H12 O4 -
- C12 H12 O4 -
- C24 H24 O8 -
2
0.25
SE1048
Irngartinger, H.; Strack, S.
Dimethyl cubane-1,4-dicarboxylate
Acta Crystallographica Section C
1,994
50
12
2017
2019
10.1107/S0108270194004634
0.71073
MoKα
null
0.049
null
null
0.059
null
null
null
null
2.79
2.79
null
null
null
has coordinates
Irngartinger, H.; Strack, S. Dimethyl cubane-1,4-dicarboxylate Acta Crystallographica Section C 50(12) (1994) 2017-2019
301,798
2025-08-19
6:41:45
#------------------------------------------------------------------------------ #$Date: 2025-08-19 09:12:48 +0300 (Tue, 19 Aug 2025) $ #$Revision: 301798 $ #$URL: file:///home/coder/svn-repositories/_RELOADED_COD/cod-reloaded/cif/2/01/03/2010339.cif $ #-------------------------------------------------------------------...
2,010,340
6.592
0.001
9.831
0.001
18.053
0.001
90
null
97
0.01
90
null
1,161.2
0.2
293
null
null
null
null
null
null
null
5
P 1 21 1
P 2yb
4
- C20 H24 Cl3 N3 O6 -
- C20 H24 Cl3 N3 O6 -
- C40 H48 Cl6 N6 O12 -
2
1
SE1052
Bolte, M.
A deoxyuridine derivative
Acta Crystallographica Section C
1,994
50
12
2045
2047
10.1107/S0108270194005470
1.5418
CuKα
null
0.069
null
null
0.081
null
null
null
null
2.29
2.29
null
null
null
has coordinates
Bolte, M. A deoxyuridine derivative Acta Crystallographica Section C 50(12) (1994) 2045-2047
301,798
2025-08-19
6:41:45
#------------------------------------------------------------------------------ #$Date: 2025-08-19 09:12:48 +0300 (Tue, 19 Aug 2025) $ #$Revision: 301798 $ #$URL: file:///home/coder/svn-repositories/_RELOADED_COD/cod-reloaded/cif/2/01/03/2010340.cif $ #-------------------------------------------------------------------...
2,010,341
9.936
0.001
9.936
0.001
52.27
0.01
90
null
90
null
120
null
4,469
1.1
293
1
293
1
null
null
null
null
4
P 65
P 65
170
(6aα,6bβ,12bβ,12cα)-6a,6b,12b,12c-tetrahydrocyclobuta[1,2-c:4,3-c'] bis[1]benzothiopyran-6,7-dione
- C18 H12 O2 S2 -
- C18 H12 O2 S2 -
- C216 H144 O24 S24 -
12
2
SE1053
Kopf, Jürgen; Maelger, Harald; Thiemann, Carolin; Margaretha, Paul
(6aα,6bβ,12bβ,12cα)-6a,6b,12b,12c-Tetrahydrocyclobuta[1,2-<i>c</i>:4,3-<i>c</i>']di[1]benzothiopyran-6,7-dione
Acta Crystallographica Section C
1,994
50
12
1922
1924
10.1107/S0108270194005482
1.54178
CuKα
0.0784
0.0663
null
0.21
0.1817
null
null
null
1.045
0.996
0.996
null
null
null
has coordinates
Kopf, Jürgen; Maelger, Harald; Thiemann, Carolin; Margaretha, Paul (6aα,6bβ,12bβ,12cα)-6a,6b,12b,12c-Tetrahydrocyclobuta[1,2-<i>c</i>:4,3-<i>c</i>']di[1]benzothiopyran-6,7-dione Acta Crystallographica Section C 50(12) (1994) 1922-1924
301,798
2025-08-19
6:41:45
#------------------------------------------------------------------------------ #$Date: 2025-08-19 09:12:48 +0300 (Tue, 19 Aug 2025) $ #$Revision: 301798 $ #$URL: file:///home/coder/svn-repositories/_RELOADED_COD/cod-reloaded/cif/2/01/03/2010341.cif $ #-------------------------------------------------------------------...
2,010,342
9.208
0.001
5.391
0.001
14.343
0.002
90
null
106.8
0.01
90
null
681.6
0.18
293
null
null
null
null
null
null
null
4
P 1 21/c 1
-P 2ybc
14
- C14 H8 N4 S2 -
- C14 H8 N4 S2 -
- C28 H16 N8 S4 -
2
0.5
SH1091
Mizuguchi, J.; Zambounis, J.S.; Rihs, G.
2,5-Bis(methylthio)-7,7',8,8'-tetracyanoquinodimethane
Acta Crystallographica Section C
1,994
50
12
2004
2007
10.1107/S0108270194002635
0.70926
MoKα
null
0.03
null
null
0.033
null
null
null
null
1.12
1.12
null
null
null
has coordinates
Mizuguchi, J.; Zambounis, J.S.; Rihs, G. 2,5-Bis(methylthio)-7,7',8,8'-tetracyanoquinodimethane Acta Crystallographica Section C 50(12) (1994) 2004-2007
301,798
2025-08-19
6:41:45
#------------------------------------------------------------------------------ #$Date: 2025-08-19 09:12:48 +0300 (Tue, 19 Aug 2025) $ #$Revision: 301798 $ #$URL: file:///home/coder/svn-repositories/_RELOADED_COD/cod-reloaded/cif/2/01/03/2010342.cif $ #-------------------------------------------------------------------...
2,010,343
8.616
0.003
10.435
0.002
16.162
0.004
90
null
90.63
0.03
90
null
1,453
0.7
245
1
245
null
null
null
null
null
3
P 1 21/n 1
-P 2yn
14
6-formyl-1,1,2,4,4,7-hexamethyltetralin
- C17 H24 O -
- C17 H24 O -
- C68 H96 O4 -
4
1
SH1094
De Ridder, Dirk J. A.; Fraanje, Jan; Goubitz, Kees; Schenk, Henk
Crystal studies of musk compounds. XIII. Molecular structures of 6-formyl-1,1,2,4,4,7-hexamethyltetralin (I) and 6-formyl-1,1,4,4,5,7-hexamethyltetralin (2)
Acta Crystallographica Section C
1,994
50
12
1962
1966
10.1107/S0108270194002647
1.5418
CuKα
0.064
0.064
null
0.084
0.084
null
null
null
0.221
0.221
0.221
null
null
null
warnings
has coordinates,has disorder
De Ridder, Dirk J. A.; Fraanje, Jan; Goubitz, Kees; Schenk, Henk Crystal studies of musk compounds. XIII. Molecular structures of 6-formyl-1,1,2,4,4,7-hexamethyltetralin (I) and 6-formyl-1,1,4,4,5,7-hexamethyltetralin (2) Acta Crystallographica Section C 50(12) (1994) 1962-1966
301,798
2025-08-19
6:41:45
#------------------------------------------------------------------------------ #$Date: 2025-08-19 09:12:48 +0300 (Tue, 19 Aug 2025) $ #$Revision: 301798 $ #$URL: file:///home/coder/svn-repositories/_RELOADED_COD/cod-reloaded/cif/2/01/03/2010343.cif $ #-------------------------------------------------------------------...
2,010,344
10.366
0.001
8.715
0.001
15.984
0.002
90
null
95.63
0.009
90
null
1,437
0.3
252
null
252
1
null
null
null
null
3
P 1 21/c 1
-P 2ybc
14
6-formyl-1,1,4,4,5,7-hexamethyltetralin
- C17 H24 O -
- C17 H24 O -
- C68 H96 O4 -
4
1
SH1094
De Ridder, Dirk J. A.; Fraanje, Jan; Goubitz, Kees; Schenk, Henk
Crystal studies of musk compounds. XIII. Molecular structures of 6-formyl-1,1,2,4,4,7-hexamethyltetralin (I) and 6-formyl-1,1,4,4,5,7-hexamethyltetralin (2)
Acta Crystallographica Section C
1,994
50
12
1962
1966
10.1107/S0108270194002647
1.5418
CuKα
0.099
0.099
null
0.117
0.117
null
null
null
0.235
0.235
0.235
null
null
null
has coordinates,has disorder
De Ridder, Dirk J. A.; Fraanje, Jan; Goubitz, Kees; Schenk, Henk Crystal studies of musk compounds. XIII. Molecular structures of 6-formyl-1,1,2,4,4,7-hexamethyltetralin (I) and 6-formyl-1,1,4,4,5,7-hexamethyltetralin (2) Acta Crystallographica Section C 50(12) (1994) 1962-1966
301,798
2025-08-19
6:41:45
#------------------------------------------------------------------------------ #$Date: 2025-08-19 09:12:48 +0300 (Tue, 19 Aug 2025) $ #$Revision: 301798 $ #$URL: file:///home/coder/svn-repositories/_RELOADED_COD/cod-reloaded/cif/2/01/03/2010344.cif $ #-------------------------------------------------------------------...
2,010,345
15.224
0.002
6.068
0.001
14.968
0.001
90
null
90.87
0.01
90
null
1,382.6
0.3
293
null
null
null
null
null
null
null
5
P 1 21/c 1
-P 2ybc
14
- C14 H15 N O4 S -
- C14 H15 N O4 S -
- C56 H60 N4 O16 S4 -
4
1
SH1096
Heinemann, F.W.; Hartung, H.; Cleve, D.; Rudorf, W.-D.
2-[Bis(methoxycarbonyl)methylene]-3-phenyl-1,3-thiazolidine
Acta Crystallographica Section C
1,994
50
12
1986
1988
10.1107/S0108270194003574
0.71073
MoKα
null
0.039
null
null
0.046
null
null
null
null
4.63
4.63
null
null
null
has coordinates
Heinemann, F.W.; Hartung, H.; Cleve, D.; Rudorf, W.-D. 2-[Bis(methoxycarbonyl)methylene]-3-phenyl-1,3-thiazolidine Acta Crystallographica Section C 50(12) (1994) 1986-1988
301,798
2025-08-19
6:41:45
#------------------------------------------------------------------------------ #$Date: 2025-08-19 09:12:48 +0300 (Tue, 19 Aug 2025) $ #$Revision: 301798 $ #$URL: file:///home/coder/svn-repositories/_RELOADED_COD/cod-reloaded/cif/2/01/03/2010345.cif $ #-------------------------------------------------------------------...
2,010,346
7.717
0.006
7.371
0.011
14.901
0.018
90
null
94.38
0.1
90
null
845.1
1.8
153
2
153
2
null
null
null
null
5
P 1 21 1
P 2yb
4
(S)-N-trichloroacetyl-7,8-dimethoxy-1-vinyl-2,3,4,5-tetrahydro-1H-3-benzazepine
- C16 H18 Cl3 N O3 -
- C16 H18 Cl3 N O3 -
- C32 H36 Cl6 N2 O6 -
2
1
SH1101
Pohl, Ehmke; Herbst-Irmer, Regine; Schimpf, Ralph; Tietze, Lutz F.
(+)-<i>N</i>-Trichloroacetyl-7,8-dimethoxy-1-vinyl-2,3,4,5-tetrahydro-1<i>H</i>-3-benzazepine at 153 K
Acta Crystallographica Section C
1,994
50
12
1978
1980
10.1107/S010827019400538X
0.71073
MoKα
0.0339
0.0328
null
0.0858
0.0841
null
null
null
1.078
1.079
1.079
null
null
null
has coordinates
Pohl, Ehmke; Herbst-Irmer, Regine; Schimpf, Ralph; Tietze, Lutz F. (+)-<i>N</i>-Trichloroacetyl-7,8-dimethoxy-1-vinyl-2,3,4,5-tetrahydro-1<i>H</i>-3-benzazepine at 153 K Acta Crystallographica Section C 50(12) (1994) 1978-1980
301,798
2025-08-19
6:41:45
#------------------------------------------------------------------------------ #$Date: 2025-08-19 09:12:48 +0300 (Tue, 19 Aug 2025) $ #$Revision: 301798 $ #$URL: file:///home/coder/svn-repositories/_RELOADED_COD/cod-reloaded/cif/2/01/03/2010346.cif $ #-------------------------------------------------------------------...
2,010,347
9.7224
0.0016
11.335
0.003
18.0256
0.0015
90
null
102.081
0.011
90
null
1,942.5
0.6
290
null
null
null
null
null
null
null
6
P 1 21/c 1
-P 2ybc
null
- C18 H15 F6 Fe P S2 -
- C18 H15 F6 Fe P S2 -
- C72 H60 F24 Fe4 P4 S8 -
4
1
ST1085
Christie, Sean; Piórko, Adam; Zaworotko, Michael J.
(η^5^-Cyclopentadienyl)[(1,2,3,4,4a,10a-η^6^)-2-methylthianthrene]iron(II) hexafluorophosphate
Acta Crystallographica Section C
1,994
50
12
1868
1870
10.1107/S0108270194008383
0.7093
MoKα
null
0.058
null
null
0.062
null
null
null
null
4.67
4.67
null
null
null
has coordinates
Christie, Sean; Piórko, Adam; Zaworotko, Michael J. (η^5^-Cyclopentadienyl)[(1,2,3,4,4a,10a-η^6^)-2-methylthianthrene]iron(II) hexafluorophosphate Acta Crystallographica Section C 50(12) (1994) 1868-1870
190,975
2020-10-21
18:00:00
#------------------------------------------------------------------------------ #$Date: 2017-01-26 13:41:26 +0200 (Thu, 26 Jan 2017) $ #$Revision: 190975 $ #$URL: file:///home/coder/svn-repositories/_RELOADED_COD/cod-reloaded/cif/2/01/03/2010347.cif $ #-------------------------------------------------------------------...
2,010,348
4.515
0.001
9.503
0.003
11.618
0.002
90
null
90.33
0.01
90
null
498.5
0.2
295
null
295
null
null
null
null
null
3
P 1 21/n 1
-P 2yn
14
Lead diselenite
- O5 Pb Se2 -
- O5 Pb Se2 -
- O20 Pb4 Se8 -
4
1
Koskenlinna, Markus; Valkonen, Jussi
Lead Diselenite
Acta Crystallographica Section C
1,995
51
01
03
null
null
0.034
null
null
0.043
null
null
null
null
null
null
null
null
null
has coordinates
Koskenlinna, Markus; Valkonen, Jussi Lead Diselenite Acta Crystallographica Section C 51 (1995) 01-03
176,760
2020-10-21
18:00:00
#------------------------------------------------------------------------------ #$Date: 2016-02-20 00:18:51 +0200 (Sat, 20 Feb 2016) $ #$Revision: 176760 $ #$URL: file:///home/coder/svn-repositories/_RELOADED_COD/cod-reloaded/cif/2/01/03/2010348.cif $ #-------------------------------------------------------------------...
2,010,349
18.0105
0.0012
4.2413
0.0003
30.66
0.002
90
null
93.297
0.005
90
null
2,338.2
0.3
150
null
150
null
null
null
null
null
3
P 1 21 1
P 2yb
4
- C21 H42 S3 -
- C21 H42 S3 -
- C84 H168 S12 -
4
2
Veldman, Nora; Spek, Anthony L.; Edema, Jilles J.H.; Kellogg, Richard M.
2,4,6-Trihexyl-1,3,5-trithiane
Acta Crystallographica Section C
1,995
51
88
91
null
null
0.0694
null
null
0.1286
null
null
null
null
null
null
null
2,002,902
null
has coordinates
Veldman, Nora; Spek, Anthony L.; Edema, Jilles J.H.; Kellogg, Richard M. 2,4,6-Trihexyl-1,3,5-trithiane Acta Crystallographica Section C 51 (1995) 88-91
287,519
2023-11-10
19:29:22
#------------------------------------------------------------------------------ #$Date: 2023-11-10 21:21:08 +0200 (Fri, 10 Nov 2023) $ #$Revision: 287519 $ #$URL: file:///home/coder/svn-repositories/_RELOADED_COD/cod-reloaded/cif/2/01/03/2010349.cif $ #-------------------------------------------------------------------...
2,010,350
13.044
0.003
6.847
0.002
9.465
0.004
90
null
98.46
0.03
90
null
836.1
0.5
294
2
294
2
null
null
null
null
4
P 1 2/c 1
-P 2yc
13
- C7 H13 N O2 -
- C7 H13 N O2 -
- C28 H52 N4 O8 -
4
1
Larsen, Ingrid Kjøller; Trickey, Peter
Cyclohexanecarbohydroxamic Acid
Acta Crystallographica Section C
1,995
51
125
127
null
null
0.0546
null
null
0.1446
null
null
null
null
null
null
null
2,002,903
null
has coordinates
Larsen, Ingrid Kjøller; Trickey, Peter Cyclohexanecarbohydroxamic Acid Acta Crystallographica Section C 51 (1995) 125-127
287,519
2023-11-10
19:29:22
#------------------------------------------------------------------------------ #$Date: 2023-11-10 21:21:08 +0200 (Fri, 10 Nov 2023) $ #$Revision: 287519 $ #$URL: file:///home/coder/svn-repositories/_RELOADED_COD/cod-reloaded/cif/2/01/03/2010350.cif $ #-------------------------------------------------------------------...
2,010,351
8.677
0.002
9.438
0.002
13.504
0.003
90
null
96.45
0.03
90
null
1,098.9
0.4
130
2
183
2
null
null
null
null
5
P 1 21 1
P 2yb
4
- C10 H10 Br Cl O2 -
- C10 H10 Br Cl O2 -
- C40 H40 Br4 Cl4 O8 -
4
2
Shaw, Joanne P.; Tan, Eng Wui; Blackman, Allan G.
Homochiral Methyl (2R,3S)-2-Chloro-3-bromo-3-phenylpropanoate
Acta Crystallographica Section C
1,995
51
134
135
null
null
0.0401
null
null
0.1064
null
null
null
null
null
null
null
null
null
has coordinates
Shaw, Joanne P.; Tan, Eng Wui; Blackman, Allan G. Homochiral Methyl (2R,3S)-2-Chloro-3-bromo-3-phenylpropanoate Acta Crystallographica Section C 51 (1995) 134-135
301,798
2025-08-19
6:41:45
#------------------------------------------------------------------------------ #$Date: 2025-08-19 09:12:48 +0300 (Tue, 19 Aug 2025) $ #$Revision: 301798 $ #$URL: file:///home/coder/svn-repositories/_RELOADED_COD/cod-reloaded/cif/2/01/03/2010351.cif $ #-------------------------------------------------------------------...
2,010,352
15.783
0.002
5.458
0.001
9.586
0.001
90
null
104.97
0.01
90
null
797.7
0.2
173
1
173
1
null
null
null
null
3
C 1 2 1
C 2y
5
- C7 H12 O4 -
- C7 H12 O4 -
- C28 H48 O16 -
4
1
Kopf, Jürgen; Schulz, Stefan
(1'R,2S,3R)-2-Hydroxy-2-(1-hydroxyethyl)-3-methyl-γ-butyrolactone
Acta Crystallographica Section C
1,995
51
84
86
null
null
0.0831
null
null
0.2126
null
null
null
null
null
null
null
2,002,905
null
has coordinates
Kopf, Jürgen; Schulz, Stefan (1'R,2S,3R)-2-Hydroxy-2-(1-hydroxyethyl)-3-methyl-γ-butyrolactone Acta Crystallographica Section C 51 (1995) 84-86
287,519
2023-11-10
19:29:22
#------------------------------------------------------------------------------ #$Date: 2023-11-10 21:21:08 +0200 (Fri, 10 Nov 2023) $ #$Revision: 287519 $ #$URL: file:///home/coder/svn-repositories/_RELOADED_COD/cod-reloaded/cif/2/01/03/2010352.cif $ #-------------------------------------------------------------------...
2,010,353
16.866
0.002
14.9176
0.0014
19.273
0.003
90
null
98.022
0.012
90
null
4,801.6
1.1
293
null
293
null
null
null
null
null
5
P 1 21/c 1
-P 2ybc
14
Tris(triphenyltin)borate
Tris(triphenyltin)borate, B(OSnPh~3~)~3~
- C54 H45 B O3 Sn3 -
- C54 H45 B O3 Sn3 -
- C216 H180 B4 O12 Sn12 -
4
1
AB1217
Ferguson, George; Spalding, Trevor R.; O'Dowd, Anna T.
Tris(triphenyltin)borate
Acta Crystallographica Section C
1,995
51
1
67
70
10.1107/S0108270194010012
0.71069
MolybdenumKα
0.067
0.03
null
0.047
0.039
null
null
null
null
0.95
0.95
null
null
null
has coordinates
Ferguson, George; Spalding, Trevor R.; O'Dowd, Anna T. Tris(triphenyltin)borate Acta Crystallographica Section C 51(1) (1995) 67-70
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/2/01/03/2010353.cif $ #-------------------------------------------------------------------...
2,010,354
7.804
0.001
11.754
0.002
14.443
0.002
90
null
103.57
0.02
90
null
1,287.8
0.3
300
null
null
null
null
null
null
null
3
P 1 21 1
P 2yb
4
- C30 H50 O -
- C30 H50 O -
- C60 H100 O2 -
2
1
AL1034
Dey, I.; Banerjee, A.
7β,8β-Epoxyfriedelane
Acta Crystallographica Section C
1,995
51
1
119
121
10.1107/S0108270194003082
1.54182
CuKα
null
0.064
null
null
0.062
null
null
null
null
1.855
1.855
null
null
null
has coordinates
Dey, I.; Banerjee, A. 7β,8β-Epoxyfriedelane Acta Crystallographica Section C 51(1) (1995) 119-121
301,798
2025-08-19
6:41:45
#------------------------------------------------------------------------------ #$Date: 2025-08-19 09:12:48 +0300 (Tue, 19 Aug 2025) $ #$Revision: 301798 $ #$URL: file:///home/coder/svn-repositories/_RELOADED_COD/cod-reloaded/cif/2/01/03/2010354.cif $ #-------------------------------------------------------------------...
2,010,355
7.54
0.003
16.761
0.006
8.65
0.003
90
null
99.56
0.02
90
null
1,078
0.7
293
null
null
null
null
null
null
null
6
P 1 a 1
P -2ya
null
- C10 H20 Mo2 N2 Na2 O16 -
- C10 H19 Mo2 N2 Na2 O16 -
- C20 H38 Mo4 N4 Na4 O32 -
2
1
AL1041
Mukherjee, K.; Roychowdhury, P.; Roy, K.; Mukherjee, D.; Kusunoki, M.
Disodium μ-(Ethylenediaminetetraacetato-<i>N</i>,<i>O</i>,<i>O</i>':<i>N</i>',<i>O</i>'',<i>O</i>''')-di-μ-oxo-bis[oxomolybdate(V)](<i>Mo</i>—<i>Mo</i>) Tetrahydrate
Acta Crystallographica Section C
1,995
51
1
32
34
10.1107/S0108270193012168
0.71069
MoKα
null
0.043
null
null
0.051
null
null
null
null
1.1
1.1
null
null
null
has coordinates
Mukherjee, K.; Roychowdhury, P.; Roy, K.; Mukherjee, D.; Kusunoki, M. Disodium μ-(Ethylenediaminetetraacetato-<i>N</i>,<i>O</i>,<i>O</i>':<i>N</i>',<i>O</i>'',<i>O</i>''')-di-μ-oxo-bis[oxomolybdate(V)](<i>Mo</i>—<i>Mo</i>) Tetrahydrate Acta Crystallographica Section C 51(1) (1995) 32-34
176,760
2020-10-21
18:00:00
#------------------------------------------------------------------------------ #$Date: 2016-02-20 00:18:51 +0200 (Sat, 20 Feb 2016) $ #$Revision: 176760 $ #$URL: file:///home/coder/svn-repositories/_RELOADED_COD/cod-reloaded/cif/2/01/03/2010355.cif $ #-------------------------------------------------------------------...
2,010,356
8.875
0.002
9.826
0.002
26.468
0.005
90
null
90
null
90
null
2,308.2
0.8
293
null
null
null
null
null
null
null
5
P 21 21 21
P 2ac 2ab
19
- C26 H28 Br O2 P -
- C26 H28 Br O2 P -
- C104 H112 Br4 O8 P4 -
4
1
BK1011
Boys, D.; Araya-Maturana, R.; Gonzalez, O.; Manriquez, V.
[1-(Ethoxycarbonyl)-1-cyclopentyl]triphenylphosphonium Bromide, [(C~6~H~5~)~3~PC(C~4~H~8~)(COOC~2~H~5~)]Br
Acta Crystallographica Section C
1,995
51
1
105
107
10.1107/S0108270194005433
0.71073
MoKα
null
0.032
null
null
0.031
null
null
null
null
1.006
1.006
null
null
null
has coordinates
Boys, D.; Araya-Maturana, R.; Gonzalez, O.; Manriquez, V. [1-(Ethoxycarbonyl)-1-cyclopentyl]triphenylphosphonium Bromide, [(C~6~H~5~)~3~PC(C~4~H~8~)(COOC~2~H~5~)]Br Acta Crystallographica Section C 51(1) (1995) 105-107
301,798
2025-08-19
6:41:45
#------------------------------------------------------------------------------ #$Date: 2025-08-19 09:12:48 +0300 (Tue, 19 Aug 2025) $ #$Revision: 301798 $ #$URL: file:///home/coder/svn-repositories/_RELOADED_COD/cod-reloaded/cif/2/01/03/2010356.cif $ #-------------------------------------------------------------------...
2,010,357
11.0301
0.0014
13.7114
0.0008
11.6012
0.0012
90
null
108.603
0.006
90
null
1,662.9
0.3
290
null
null
null
null
null
null
null
6
P 1 21/n 1
-P 2yn
14
- C17 H13 F6 Fe O2 P -
- C17 H13 F6 Fe O2 P -
- C68 H52 F24 Fe4 O8 P4 -
4
1
BK1012
Piorko, A.; Christie, S.; Zaworotko, M.J.
Hexafluorophosphate Salts of Cyclopentadienyliron(II) Complexes of Dibenzodioxin and 1-Methyldibenzodioxin
Acta Crystallographica Section C
1,995
51
1
26
29
10.1107/S010827019400363X
0.7107
MoKα
null
0.061
null
null
0.061
null
null
null
null
5.38
5.38
null
null
null
has coordinates
Piorko, A.; Christie, S.; Zaworotko, M.J. Hexafluorophosphate Salts of Cyclopentadienyliron(II) Complexes of Dibenzodioxin and 1-Methyldibenzodioxin Acta Crystallographica Section C 51(1) (1995) 26-29
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/2/01/03/2010357.cif $ #-------------------------------------------------------------------...
2,010,358
18.027
0.009
11.706
0.005
19.845
0.004
90
null
99.81
0.03
90
null
4,127
3
290
null
null
null
null
null
null
null
6
C 1 2/c 1
-C 2yc
null
- C20 H20 F6 Fe O3 P -
- C20 H20 F6 Fe O2.5 P -
- C160 H160 F48 Fe8 O20 P8 -
8
1
BK1012
Piorko, A.; Christie, S.; Zaworotko, M.J.
Hexafluorophosphate Salts of Cyclopentadienyliron(II) Complexes of Dibenzodioxin and 1-Methyldibenzodioxin
Acta Crystallographica Section C
1,995
51
1
26
29
10.1107/S010827019400363X
0.7107
MoKα
null
0.042
null
null
0.052
null
null
null
null
3.16
3.16
null
null
null
has coordinates
Piorko, A.; Christie, S.; Zaworotko, M.J. Hexafluorophosphate Salts of Cyclopentadienyliron(II) Complexes of Dibenzodioxin and 1-Methyldibenzodioxin Acta Crystallographica Section C 51(1) (1995) 26-29
190,970
2020-10-21
18:00:00
#------------------------------------------------------------------------------ #$Date: 2017-01-26 13:04:25 +0200 (Thu, 26 Jan 2017) $ #$Revision: 190970 $ #$URL: file:///home/coder/svn-repositories/_RELOADED_COD/cod-reloaded/cif/2/01/03/2010358.cif $ #-------------------------------------------------------------------...
2,010,359
4.6
0.003
10.041
0.001
24.835
0.0003
90
null
90
null
90
null
1,147.1
0.8
123
null
123.15
null
null
null
null
null
4
P 21 21 21
P 2ac 2ab
19
EtdCyd
- C11 H17 N3 O4 -
- C11 H17 N3 O4 -
- C44 H68 N12 O16 -
4
1
Napper, Scott; Stuart, Allan L.; Kumar, Sashi V.P.; Gupta, V. Sagar; Delbaere, Louis T.J.
5-Ethyl-2'-deoxycytidine, C~11~H~17~N~3~O~4~
Acta Crystallographica Section C
1,995
51
96
98
null
null
0.054
null
null
0.052
null
null
null
null
null
null
null
2,002,941
null
has coordinates
Napper, Scott; Stuart, Allan L.; Kumar, Sashi V.P.; Gupta, V. Sagar; Delbaere, Louis T.J. 5-Ethyl-2'-deoxycytidine, C~11~H~17~N~3~O~4~ Acta Crystallographica Section C 51 (1995) 96-98
287,519
2023-11-10
19:29:22
#------------------------------------------------------------------------------ #$Date: 2023-11-10 21:21:08 +0200 (Fri, 10 Nov 2023) $ #$Revision: 287519 $ #$URL: file:///home/coder/svn-repositories/_RELOADED_COD/cod-reloaded/cif/2/01/03/2010359.cif $ #-------------------------------------------------------------------...
2,010,360
13.532
0.0007
13.817
0.001
14.0625
0.0009
90
null
117.906
0.006
90
null
2,323.5
0.3
297
null
null
null
null
null
null
null
5
P 1 21/c 1
-P 2ybc
14
- C18 H39 Cl3 Cr N3 -
- C18 H39 Cl3 Cr N3 -
- C72 H156 Cl12 Cr4 N12 -
4
1
BK1036
Wu, F.-J.; Stahly, P.; Fronczek, F.R.; Watkins, S.F.
Trichloro(1,4,7-tri-<i>n</i>-butyl-1,4,7-triazacyclononane-<i>N</i>,<i>N</i>',<i>N</i>'')chromium
Acta Crystallographica Section C
1,995
51
1
18
20
10.1107/S0108270194006268
0.71073
MoKα
null
0.03
null
null
0.035
null
null
null
null
1.475
1.475
null
null
null
has coordinates
Wu, F.-J.; Stahly, P.; Fronczek, F.R.; Watkins, S.F. Trichloro(1,4,7-tri-<i>n</i>-butyl-1,4,7-triazacyclononane-<i>N</i>,<i>N</i>',<i>N</i>'')chromium Acta Crystallographica Section C 51(1) (1995) 18-20
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/2/01/03/2010360.cif $ #-------------------------------------------------------------------...
2,010,361
21.937
0.008
15.327
0.003
6.924
0.001
90
null
90
null
90
null
2,328
2
296
null
296
null
null
null
null
null
4
P b c a
-P 2ac 2ab
61
- C14 H15 N O2 -
- C14 H15 N O2 -
- C112 H120 N8 O16 -
8
1
Jasinski, Jerry P.; Woudenberg, Richard C.
7-Dimethylaminocyclopenta[c]coumarin, In Two Polymorphic Forms
Acta Crystallographica Section C
1,995
51
107
109
null
null
0.045
null
null
0.054
null
null
null
null
null
null
null
2,002,969
null
has coordinates
Jasinski, Jerry P.; Woudenberg, Richard C. 7-Dimethylaminocyclopenta[c]coumarin, In Two Polymorphic Forms Acta Crystallographica Section C 51 (1995) 107-109
287,519
2023-11-10
19:29:22
#------------------------------------------------------------------------------ #$Date: 2023-11-10 21:21:08 +0200 (Fri, 10 Nov 2023) $ #$Revision: 287519 $ #$URL: file:///home/coder/svn-repositories/_RELOADED_COD/cod-reloaded/cif/2/01/03/2010361.cif $ #-------------------------------------------------------------------...
2,010,362
8.779
0.002
22.042
0.005
6.043
0.002
90
null
90
null
90
null
1,169.3
0.8
296
null
23
null
null
null
null
null
4
P n a 21
P 2c -2n
33
- C14 H15 N O2 -
- C14 H15 N O2 -
- C56 H60 N4 O8 -
4
1
Jasinski, Jerry P.; Woudenberg, Richard C.
7-Dimethylaminocyclopenta[c]coumarin, In Two Polymorphic Forms
Acta Crystallographica Section C
1,995
51
107
109
null
null
0.037
null
null
0.043
null
null
null
null
null
null
null
2,002,970
null
has coordinates
Jasinski, Jerry P.; Woudenberg, Richard C. 7-Dimethylaminocyclopenta[c]coumarin, In Two Polymorphic Forms Acta Crystallographica Section C 51 (1995) 107-109
287,519
2023-11-10
19:29:22
#------------------------------------------------------------------------------ #$Date: 2023-11-10 21:21:08 +0200 (Fri, 10 Nov 2023) $ #$Revision: 287519 $ #$URL: file:///home/coder/svn-repositories/_RELOADED_COD/cod-reloaded/cif/2/01/03/2010362.cif $ #-------------------------------------------------------------------...
2,010,363
14.639
0.001
5.523
0.001
10.722
0.001
90
null
111.99
0.01
90
null
803.8
0.2
296
null
null
null
null
null
null
null
4
C 1 2/c 1
-C 2yc
15
- Br H2 Li O5 -
- Br H2 Li O5 -
- Br8 H16 Li8 O40 -
8
1
Blackburn, Anthony C.; Gerkin, Roger E.
Lithium Perbromate Monohydrate at 296 and 173 K
Acta Crystallographica Section C
1,995
51
03
07
null
null
0.024
null
null
0.03
null
null
null
null
null
null
null
null
null
has coordinates
Blackburn, Anthony C.; Gerkin, Roger E. Lithium Perbromate Monohydrate at 296 and 173 K Acta Crystallographica Section C 51 (1995) 03-07
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/2/01/03/2010363.cif $ #-------------------------------------------------------------------...
2,010,364
14.551
0.003
5.504
0.001
10.641
0.001
90
null
111.93
0.01
90
null
790.5
0.2
173
null
null
null
null
null
null
null
4
C 1 2/c 1
-C 2yc
15
- Br H2 Li O5 -
- Br H2 Li O5 -
- Br8 H16 Li8 O40 -
8
1
Blackburn, Anthony C.; Gerkin, Roger E.
Lithium Perbromate Monohydrate at 296 and 173 K
Acta Crystallographica Section C
1,995
51
03
07
null
null
0.022
null
null
0.031
null
null
null
null
null
null
null
null
null
has coordinates
Blackburn, Anthony C.; Gerkin, Roger E. Lithium Perbromate Monohydrate at 296 and 173 K Acta Crystallographica Section C 51 (1995) 03-07
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/2/01/03/2010364.cif $ #-------------------------------------------------------------------...
2,010,365
25.767
0.002
13.897
0.002
19.867
0.004
90
null
126.91
0.01
90
null
5,688.3
1.7
null
null
null
null
null
null
null
null
3
C 1 2/c 1
-C 2yc
null
- C58 H80 O10 -
- C70 H116 O10 -
- C280 H464 O40 -
4
0.5
CR1139
Marsh, R.E.
A Revised Structure for Diethyl 5,11,17,23-Tetra-<i>tert</i>-butyl-26,28-bis(2-methoxyethoxy)calix[4]arene-25,27-bis(oxyacetate)
Acta Crystallographica Section C
1,995
51
1
157
158
10.1107/S0108270194004506
null
null
null
null
null
null
null
null
null
null
null
null
null
null
null
has coordinates
Marsh, R.E. A Revised Structure for Diethyl 5,11,17,23-Tetra-<i>tert</i>-butyl-26,28-bis(2-methoxyethoxy)calix[4]arene-25,27-bis(oxyacetate) Acta Crystallographica Section C 51(1) (1995) 157-158
176,760
2020-10-21
18:00:00
#------------------------------------------------------------------------------ #$Date: 2016-02-20 00:18:51 +0200 (Sat, 20 Feb 2016) $ #$Revision: 176760 $ #$URL: file:///home/coder/svn-repositories/_RELOADED_COD/cod-reloaded/cif/2/01/03/2010365.cif $ #-------------------------------------------------------------------...
2,010,366
8.2116
0.0007
11.229
0.001
7.5178
0.0009
108.507
0.008
113.336
0.007
73.187
0.007
592.9
0.1
294
null
294
null
null
null
null
null
4
P -1
-P 1
2
Vanadyl bis(acetylacetonate)
Bis(2,4-pentanedionato)oxovanadium(IV)
- C10 H14 O5 V -
- C10 H14 O5 V -
- C20 H28 O10 V2 -
2
1
FG1025
Shuter, Edward; Rettig, Steven J.; Orvig, Chris
Bis(2,4-pentanedionato)oxovanadium(IV), a Redetermination
Acta Crystallographica, Section C: Crystal Structure Communications
1,995
51
1
12
14
10.1107/S0108270194010462
0.7107
MoKα
0.149
0.037
null
0.041
0.035
null
null
null
null
1.87
1.87
null
2,003,167
null
has coordinates
Shuter, Edward; Rettig, Steven J.; Orvig, Chris Bis(2,4-pentanedionato)oxovanadium(IV), a Redetermination Acta Crystallographica, Section C: Crystal Structure Communications 51(1) (1995) 12-14
209,636
2020-10-21
18:00:00
#------------------------------------------------------------------------------ #$Date: 2018-08-12 22:58:01 +0300 (Sun, 12 Aug 2018) $ #$Revision: 209636 $ #$URL: file:///home/coder/svn-repositories/_RELOADED_COD/cod-reloaded/cif/2/01/03/2010366.cif $ #-------------------------------------------------------------------...
2,010,367
10.474
0.006
12.862
0.005
23.882
0.008
94.72
0.03
91.8
0.05
107.98
0.05
3,044
3
293
null
null
null
null
null
null
null
5
P -1
-P 1
2
- C48 H40 I11 Mo4 P2 -
- C48 H40 I11 Mo4 P2 -
- C96 H80 I22 Mo8 P4 -
2
1
GR1011
Gordon, J.C.; Poli, R.
A Tetranuclear Butterfly Cluster of Molybdenum, [PPh~4~]~2~[Mo~4~I~11~]
Acta Crystallographica Section C
1,995
51
1
14
18
10.1107/S0108270194004877
0.71073
MoKα
null
0.06
null
null
0.078
null
null
null
null
2.97
2.97
null
null
null
has coordinates
Gordon, J.C.; Poli, R. A Tetranuclear Butterfly Cluster of Molybdenum, [PPh~4~]~2~[Mo~4~I~11~] Acta Crystallographica Section C 51(1) (1995) 14-18
278,247
2022-09-28
15:09:32
#------------------------------------------------------------------------------ #$Date: 2022-09-28 18:08:17 +0300 (Wed, 28 Sep 2022) $ #$Revision: 278247 $ #$URL: file:///home/coder/svn-repositories/_RELOADED_COD/cod-reloaded/cif/2/01/03/2010367.cif $ #-------------------------------------------------------------------...
2,010,368
7.347
0.001
24.849
0.006
9.001
0.001
90
null
107.14
0.01
90
null
1,570.3
0.5
213
null
null
null
null
null
null
null
4
P 1 21/n 1
-P 2yn
14
- C10 H2 O11 Os3 -
- C10 O11 Os3 -
- C40 O44 Os12 -
4
1
GR1012
Knoeppel, D.W.; Chung, J.-H.; Shore, S.G.
(μ-H)(μ-OH)Os~3~(CO)~10~
Acta Crystallographica Section C
1,995
51
1
42
45
10.1107/S0108270194006128
0.71073
MoKα
null
0.026
null
null
0.031
null
null
null
null
0.947
0.947
null
null
null
has coordinates
Knoeppel, D.W.; Chung, J.-H.; Shore, S.G. (μ-H)(μ-OH)Os~3~(CO)~10~ Acta Crystallographica Section C 51(1) (1995) 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/2/01/03/2010368.cif $ #-------------------------------------------------------------------...
2,010,369
12.3
0.02
9.02
0.011
11.482
0.004
117.1
0.1
88.79
0.02
97.88
0.01
1,122
3
293
null
null
null
null
null
null
null
5
P -1
-P 1
2
- C21 H26 N4 O5 S -
- C21 H26 N4 O5 S -
- C42 H52 N8 O10 S2 -
2
1
HA1098
Fawcett, J.; Kemmitt, R. D. W.; Russell, D. R.; Serindag, O.; Guzel, B.; Serin, S.
2-[5-(Diethylaminosulfonyl)-2-methoxyphenylhydrazono]-3-oxo-<i>N</i>-phenylbutyramide
Acta Crystallographica Section C
1,995
51
1
139
141
10.1107/S0108270194004981
0.71073
MoKα
null
0.054
null
null
0.058
null
null
null
null
null
null
null
null
null
has coordinates
Fawcett, J.; Kemmitt, R. D. W.; Russell, D. R.; Serindag, O.; Guzel, B.; Serin, S. 2-[5-(Diethylaminosulfonyl)-2-methoxyphenylhydrazono]-3-oxo-<i>N</i>-phenylbutyramide Acta Crystallographica Section C 51(1) (1995) 139-141
301,798
2025-08-19
6:41:45
#------------------------------------------------------------------------------ #$Date: 2025-08-19 09:12:48 +0300 (Tue, 19 Aug 2025) $ #$Revision: 301798 $ #$URL: file:///home/coder/svn-repositories/_RELOADED_COD/cod-reloaded/cif/2/01/03/2010369.cif $ #-------------------------------------------------------------------...
2,010,370
24.725
0.008
14.544
0.002
13.95
0.001
90
null
103.1
0.06
90
null
4,886
2
289
null
null
null
null
null
null
null
5
C 1 2/c 1
-C 2yc
null
- C24 H21 F3 Fe2 O6 -
- C24 H21 F3 Fe2 O6 -
- C192 H168 F24 Fe16 O48 -
8
1
HL1042
Chen, J.; Zheng, P-J.; Yu, Y.; Chen, J-B.
[{μ-C(OC~2~H~5~)}(CO)~4~Fe~2~C{(OC~2~H~5~)(<i>p</i>-CF~3~C~6~H~4~)(η-C~7~H~7~)}]
Acta Crystallographica Section C
1,995
51
1
34
37
10.1107/S0108270194000521
0.71073
MoKα
null
0.045
null
null
0.047
null
null
null
null
4.26
4.26
null
null
null
has coordinates
Chen, J.; Zheng, P-J.; Yu, Y.; Chen, J-B. [{μ-C(OC~2~H~5~)}(CO)~4~Fe~2~C{(OC~2~H~5~)(<i>p</i>-CF~3~C~6~H~4~)(η-C~7~H~7~)}] Acta Crystallographica Section C 51(1) (1995) 34-37
176,760
2020-10-21
18:00:00
#------------------------------------------------------------------------------ #$Date: 2016-02-20 00:18:51 +0200 (Sat, 20 Feb 2016) $ #$Revision: 176760 $ #$URL: file:///home/coder/svn-repositories/_RELOADED_COD/cod-reloaded/cif/2/01/03/2010370.cif $ #-------------------------------------------------------------------...
2,010,371
8.825
0.002
7.203
0.002
11.87
0.004
90
null
92.38
0.02
90
null
753.9
0.4
269
null
null
null
null
null
null
null
5
P 1 21/c 1
-P 2ybc
14
- C12 H18 N4 O8 Zn -
- C16 H18 N4 O8 Zn -
- C32 H36 N8 O16 Zn2 -
2
0.5
HR1000
Okabe, N.; Sasaki, Y.
Zinc(II) Complex of Urocanic Acid
Acta Crystallographica Section C
1,995
51
1
65
67
10.1107/S0108270194005056
0.71073
MoKα
null
0.032
null
null
0.042
null
null
null
null
1.72
1.72
null
null
null
has coordinates
Okabe, N.; Sasaki, Y. Zinc(II) Complex of Urocanic Acid Acta Crystallographica Section C 51(1) (1995) 65-67
176,760
2020-10-21
18:00:00
#------------------------------------------------------------------------------ #$Date: 2016-02-20 00:18:51 +0200 (Sat, 20 Feb 2016) $ #$Revision: 176760 $ #$URL: file:///home/coder/svn-repositories/_RELOADED_COD/cod-reloaded/cif/2/01/03/2010371.cif $ #-------------------------------------------------------------------...
2,010,372
14.235
0.003
11.368
0.003
13.86
0.003
90
null
108.84
0.02
90
null
2,122.7
0.9
296
null
null
null
null
null
null
null
7
P 1 21/n 1
-P 2yn
14
- C17 H19 Cl Cu F6 N5 P -
- C17 H19 Cl Cu F6 N5 P -
- C68 H76 Cl4 Cu4 F24 N20 P4 -
4
1
HR1018
Wang, J.; Mashuta, M.S.; Richardson, J.F.; Buchanan, R.M.
Chloro[(1-methyl-2-imidazolyl-κ<i>N</i>^3^-methyl)-bis(2-pyridyl-κ<i>N</i>-methyl)amine-κ<i>N</i>]copper(II) Hexafluorophosphate, [CuCl(C~17~H~19~N~5~)]PF~6~
Acta Crystallographica Section C
1,995
51
1
50
52
10.1107/S010827019400644X
0.71073
MoKα
null
0.045
null
null
0.048
null
null
null
null
1.06
1.06
null
null
null
has coordinates
Wang, J.; Mashuta, M.S.; Richardson, J.F.; Buchanan, R.M. Chloro[(1-methyl-2-imidazolyl-κ<i>N</i>^3^-methyl)-bis(2-pyridyl-κ<i>N</i>-methyl)amine-κ<i>N</i>]copper(II) Hexafluorophosphate, [CuCl(C~17~H~19~N~5~)]PF~6~ Acta Crystallographica Section C 51(1) (1995) 50-52
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/2/01/03/2010372.cif $ #-------------------------------------------------------------------...
2,010,373
10.563
0.002
10.603
0.003
12.25
0.003
97.68
0.04
99.34
0.03
93.11
0.02
1,337.6
0.5
293
null
293
null
null
null
null
null
8
P 1
P 1
1
- C48 H38 Cl4 F6 Mn N5 O5 P6 -
- C48 H38 Cl4 F6 Mn N5 O5 P6 -
- C48 H38 Cl4 F6 Mn N5 O5 P6 -
1
1
Gabino A. Carriedo; Lucía Fernández; Paloma Gómez; Santiago García-Granda; Amador Menéndez Velázquez
cis-trans-[{N~3~P~3~Cl~4~(C~6~H~5~)(PPh~2~)}Mn(CO)~2~(bipy) {P(OPh)~3~}]PF~6~. A Cationic Manganese–Carbonyl Complex with a Phosphazenylphosphine Ligand
Acta Crystallographica Section C
1,995
51
20
23
null
null
0.0442
null
null
0.1082
null
null
null
null
null
null
null
2,003,168
null
has coordinates
Gabino A. Carriedo; Lucía Fernández; Paloma Gómez; Santiago García-Granda; Amador Menéndez Velázquez cis-trans-[{N~3~P~3~Cl~4~(C~6~H~5~)(PPh~2~)}Mn(CO)~2~(bipy) {P(OPh)~3~}]PF~6~. A Cationic Manganese–Carbonyl Complex with a Phosphazenylphosphine Ligand Acta Crystallographica Section C 51 (1995) 20-23
287,519
2023-11-10
19:29:22
#------------------------------------------------------------------------------ #$Date: 2023-11-10 21:21:08 +0200 (Fri, 10 Nov 2023) $ #$Revision: 287519 $ #$URL: file:///home/coder/svn-repositories/_RELOADED_COD/cod-reloaded/cif/2/01/03/2010373.cif $ #-------------------------------------------------------------------...
2,010,374
12.955
0.004
14.217
0.006
16.494
0.009
98.82
0.05
112.57
0.05
101.15
0.03
2,664
2
120
null
null
null
null
null
null
null
5
P -1
-P 1
2
- C30 H32 Cu N4 O4 -
- C33 H26 Cu N4 O4 -
- C132 H104 Cu4 N16 O16 -
4
2
HR1021
Goetz-Grandmont, G.J.; Tayeb, A.; Matt, D.; Brunette, J.-P.; Toupet, L.
Folding onto Copper(II) of a Flexible Bis-Chelating 4-Acyl-pyrazol-5-olate
Acta Crystallographica Section C
1,995
51
1
53
57
10.1107/S0108270194008024
0.71073
MoKα
null
0.082
null
null
0.072
null
null
null
null
2.841
2.841
null
null
null
has coordinates
Goetz-Grandmont, G.J.; Tayeb, A.; Matt, D.; Brunette, J.-P.; Toupet, L. Folding onto Copper(II) of a Flexible Bis-Chelating 4-Acyl-pyrazol-5-olate Acta Crystallographica Section C 51(1) (1995) 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/2/01/03/2010374.cif $ #-------------------------------------------------------------------...
2,010,375
8.669
0.002
10.553
0.002
13.535
0.003
96.34
0.02
105.91
0.03
105.02
0.02
1,128
0.5
298
null
null
null
null
null
null
null
5
P -1
-P 1
2
- C24 H27 N O5 S -
- C24 H27 N O5 S -
- C48 H54 N2 O10 S2 -
2
1
HU1057
Arriortua, M.I.; Urtiaga, M.K.; Badia, D.; Dominguez, E.; Gonzalez Cameno, A.M.; Solans, X.
2-[(3,4-Dimethoxybenzyl)(<i>p</i>-toluenesulfonyl)amino]-2-phenylethanol
Acta Crystallographica Section C
1,995
51
1
109
112
10.1107/S0108270194003719
0.71069
MoKα
null
0.056
null
null
0.066
null
null
null
null
null
null
null
null
null
has coordinates
Arriortua, M.I.; Urtiaga, M.K.; Badia, D.; Dominguez, E.; Gonzalez Cameno, A.M.; Solans, X. 2-[(3,4-Dimethoxybenzyl)(<i>p</i>-toluenesulfonyl)amino]-2-phenylethanol Acta Crystallographica Section C 51(1) (1995) 109-112
301,798
2025-08-19
6:41:45
#------------------------------------------------------------------------------ #$Date: 2025-08-19 09:12:48 +0300 (Tue, 19 Aug 2025) $ #$Revision: 301798 $ #$URL: file:///home/coder/svn-repositories/_RELOADED_COD/cod-reloaded/cif/2/01/03/2010375.cif $ #-------------------------------------------------------------------...
2,010,376
15.664
0.002
15.664
0.002
16.97
0.002
90
null
90
null
90
null
4,163.8
0.9
293
null
null
null
null
null
null
null
5
I 41/a c d
I -4 2aw -bw
null
- C20 H20 Cl2 N4 Ru -
- C20 H20 Cl4 N4 Ru2 -
- C160 H160 Cl32 N32 Ru16 -
8
null
HU1072
Elsegood, M.R.J.; Tocher, D.A.
<i>trans</i>-Dichlorotetrakis(pyridine-<i>N</i>)ruthenium(II)
Acta Crystallographica Section C
1,995
51
1
40
42
10.1107/S0108270194006451
0.71073
MoKα
null
0.0453
null
null
0.032
null
null
null
null
2.2258
2.2258
null
null
null
has coordinates
Elsegood, M.R.J.; Tocher, D.A. <i>trans</i>-Dichlorotetrakis(pyridine-<i>N</i>)ruthenium(II) Acta Crystallographica Section C 51(1) (1995) 40-42
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/2/01/03/2010376.cif $ #-------------------------------------------------------------------...
2,010,377
11.007
0.001
19.1
0.003
14.976
0.002
90
null
110.21
0.02
90
null
2,954.6
0.8
293
2
293
2
null
null
null
null
4
P 1 21/n 1
-P 2yn
14
- C14 H24 O3 S -
- C14 H24 O3 S -
- C112 H192 O24 S8 -
8
2
HU1088
Hellier, Desmond G.; Majid Motevalli
4,5-Dicyclohexyl-1,3,2-dioxathiolane 2-Oxide, C~14~H~24~O~3~S
Acta Crystallographica Section C
1,995
51
1
129
131
10.1107/S0108270194007171
0.71069
MoKα
0.0912
0.0489
null
0.1228
0.1153
null
null
null
1.01
1.242
1.242
null
null
null
has coordinates
Hellier, Desmond G.; Majid Motevalli 4,5-Dicyclohexyl-1,3,2-dioxathiolane 2-Oxide, C~14~H~24~O~3~S Acta Crystallographica Section C 51(1) (1995) 129-131
301,798
2025-08-19
6:41:45
#------------------------------------------------------------------------------ #$Date: 2025-08-19 09:12:48 +0300 (Tue, 19 Aug 2025) $ #$Revision: 301798 $ #$URL: file:///home/coder/svn-repositories/_RELOADED_COD/cod-reloaded/cif/2/01/03/2010377.cif $ #-------------------------------------------------------------------...
2,010,378
7.176
0.001
11.969
0.002
12.621
0.002
90
null
90
null
90
null
1,084
0.3
293
2
293
2
null
null
null
null
4
P 21 21 21
P 2ac 2ab
19
- C10 H16 O3 S -
- C10 H16 O3 S -
- C40 H64 O12 S4 -
4
1
HU1093
Hellier, Desmond G.; Motevalli, Majid
Two Isomeric Sulfites of 10β-Pinane-2,3α-diol
Acta Crystallographica Section C
1,995
51
1
116
119
10.1107/S0108270194007183
0.71069
MoKα
0.113
0.0477
null
0.1163
0.1046
null
null
null
0.947
1.182
1.182
null
null
null
has coordinates
Hellier, Desmond G.; Motevalli, Majid Two Isomeric Sulfites of 10β-Pinane-2,3α-diol Acta Crystallographica Section C 51(1) (1995) 116-119
301,798
2025-08-19
6:41:45
#------------------------------------------------------------------------------ #$Date: 2025-08-19 09:12:48 +0300 (Tue, 19 Aug 2025) $ #$Revision: 301798 $ #$URL: file:///home/coder/svn-repositories/_RELOADED_COD/cod-reloaded/cif/2/01/03/2010378.cif $ #-------------------------------------------------------------------...
2,010,379
6.706
0.001
12.49
0.002
12.965
0.003
90
null
90
null
90
null
1,085.9
0.3
293
2
293
2
null
null
null
null
4
P 21 21 21
P 2ac 2ab
19
- C10 H16 O3 S -
- C10 H16 O3 S -
- C40 H64 O12 S4 -
4
1
HU1093
Hellier, Desmond G.; Motevalli, Majid
Two Isomeric Sulfites of 10β-Pinane-2,3α-diol
Acta Crystallographica Section C
1,995
51
1
116
119
10.1107/S0108270194007183
1.5418
CuKα
0.1513
0.0457
null
0.1025
0.0869
null
null
null
0.841
1.216
1.216
null
null
null
has coordinates
Hellier, Desmond G.; Motevalli, Majid Two Isomeric Sulfites of 10β-Pinane-2,3α-diol Acta Crystallographica Section C 51(1) (1995) 116-119
301,798
2025-08-19
6:41:45
#------------------------------------------------------------------------------ #$Date: 2025-08-19 09:12:48 +0300 (Tue, 19 Aug 2025) $ #$Revision: 301798 $ #$URL: file:///home/coder/svn-repositories/_RELOADED_COD/cod-reloaded/cif/2/01/03/2010379.cif $ #-------------------------------------------------------------------...
2,010,380
12.674
0.003
20.023
0.004
11.494
0.003
90
null
96.11
0.02
90
null
2,900.3
1.2
293
2
293
2
null
null
null
null
6
P 1 21/n 1
-P 2yn
14
31-phenyl-13,16,19,22,25-pentoxa-2,6,31-diazaphosphatetracyclo [24,4,0,1^2,6^,0^7,12^]hentriaconta-1(26),7,9,11,27,29-hexene-31-sulfide
- C29 H35 N2 O5 P S -
- C29 H35 N2 O5 P S -
- C116 H140 N8 O20 P4 S4 -
4
1
HU1098
Van Oostenryck, Luc; Tinant, Bernard; Declercq, Jean-Paul; Dutasta, Jean-Pierre
A Macrobicyclic Thiophosphonamide Polyether Ligand
Acta Crystallographica, Section C: Crystal Structure Communications
1,995
51
1
80
84
10.1107/S0108270194003914
0.71069
MolybdenumKα
0.0671
0.0487
null
0.1386
0.1306
null
null
null
1.061
1.176
1.176
null
2,003,169
null
has coordinates
Van Oostenryck, Luc; Tinant, Bernard; Declercq, Jean-Paul; Dutasta, Jean-Pierre A Macrobicyclic Thiophosphonamide Polyether Ligand Acta Crystallographica, Section C: Crystal Structure Communications 51(1) (1995) 80-84
301,798
2025-08-19
6:41:45
#------------------------------------------------------------------------------ #$Date: 2025-08-19 09:12:48 +0300 (Tue, 19 Aug 2025) $ #$Revision: 301798 $ #$URL: file:///home/coder/svn-repositories/_RELOADED_COD/cod-reloaded/cif/2/01/03/2010380.cif $ #-------------------------------------------------------------------...
2,010,381
16.791
0.012
15.927
0.011
10.922
0.006
90
null
100.31
0.05
90
null
2,874
3
293
2
293
2
null
null
null
null
6
P 1 21/n 1
-P 2yn
14
31-phenyl-13,16,19,22,25-pentoxa-2,6,31-diazaphosphatetracyclo [24,4,0,1^2,6^,0^7,12^]hentriaconta-1(26),7,9,11,27,29-hexene-31-sulfide
- C29 H35 N2 O5 P S -
- C32 N2 O6 P S -
- C128 N8 O24 P4 S4 -
4
1
HU1098
Van Oostenryck, Luc; Tinant, Bernard; Declercq, Jean-Paul; Dutasta, Jean-Pierre
A Macrobicyclic Thiophosphonamide Polyether Ligand
Acta Crystallographica, Section C: Crystal Structure Communications
1,995
51
1
80
84
10.1107/S0108270194003914
0.71069
MolybdenumKα
0.086
0.056
null
0.1607
0.1511
null
null
null
1.063
1.19
1.19
null
2,003,170
null
has coordinates
Van Oostenryck, Luc; Tinant, Bernard; Declercq, Jean-Paul; Dutasta, Jean-Pierre A Macrobicyclic Thiophosphonamide Polyether Ligand Acta Crystallographica, Section C: Crystal Structure Communications 51(1) (1995) 80-84
269,317
2021-09-26
23:31:58
#------------------------------------------------------------------------------ #$Date: 2021-09-27 02:31:57 +0300 (Mon, 27 Sep 2021) $ #$Revision: 269317 $ #$URL: file:///home/coder/svn-repositories/_RELOADED_COD/cod-reloaded/cif/2/01/03/2010381.cif $ #-------------------------------------------------------------------...
2,010,382
9.97
0.002
14.049
0.003
19.013
0.004
90
null
90
null
90
null
2,663.1
1
298
null
null
null
null
null
null
null
5
P 21 21 21
P 2ac 2ab
19
- C23 H45 N2 O3 P -
- C23 H45 N2 O3 P -
- C92 H180 N8 O12 P4 -
4
1
HU1102
Blazis, Vincent J.; Koeller, Kevin J.; Rath, Nigam P.; Spilling, Christopher D.
A Chiral Bicyclic 1-Acetoxy Phosphonamide
Acta Crystallographica Section C
1,995
51
1
86
88
10.1107/S0108270194007948
0.71073
MoKα
null
0.0495
null
null
0.0593
null
null
null
null
1.2
1.2
null
null
null
has coordinates
Blazis, Vincent J.; Koeller, Kevin J.; Rath, Nigam P.; Spilling, Christopher D. A Chiral Bicyclic 1-Acetoxy Phosphonamide Acta Crystallographica Section C 51(1) (1995) 86-88
301,798
2025-08-19
6:41:45
#------------------------------------------------------------------------------ #$Date: 2025-08-19 09:12:48 +0300 (Tue, 19 Aug 2025) $ #$Revision: 301798 $ #$URL: file:///home/coder/svn-repositories/_RELOADED_COD/cod-reloaded/cif/2/01/03/2010382.cif $ #-------------------------------------------------------------------...
2,010,383
9.028
0.007
5.256
0.002
23.022
0.016
90
null
92.78
0.06
90
null
1,091.1
1.2
293
2
null
null
null
null
null
null
5
P 1 21/n 1
-P 2yn
14
- C11 H14 N2 O S -
- C11 H14 N2 O S -
- C44 H56 N8 O4 S4 -
4
1
KA1048
Kožíšek, J.; Ulický, L.; Marchalín, S.; Žák, Z.; Decroix, B.
4,6,7,8,9,9a-Hexahydro-11<i>H</i>-pyrido[1,2-<i>a</i>]thieno[2,3-<i>e</i>][1,3]diazepin-11(10<i>H</i>)-one
Acta Crystallographica Section C
1,995
51
1
151
152
10.1107/S0108270194001812
1.54178
CuKα
null
0.0477
null
null
0.056
null
null
null
null
6.2
6.2
null
null
null
has coordinates
Kožíšek, J.; Ulický, L.; Marchalín, S.; Žák, Z.; Decroix, B. 4,6,7,8,9,9a-Hexahydro-11<i>H</i>-pyrido[1,2-<i>a</i>]thieno[2,3-<i>e</i>][1,3]diazepin-11(10<i>H</i>)-one Acta Crystallographica Section C 51(1) (1995) 151-152
301,798
2025-08-19
6:41:45
#------------------------------------------------------------------------------ #$Date: 2025-08-19 09:12:48 +0300 (Tue, 19 Aug 2025) $ #$Revision: 301798 $ #$URL: file:///home/coder/svn-repositories/_RELOADED_COD/cod-reloaded/cif/2/01/03/2010383.cif $ #-------------------------------------------------------------------...
2,010,384
6.4
0.001
10.767
0.001
11.203
0.002
91.62
0.01
91.34
0.02
102.2
0.2
753.9
0.2
295
2
null
null
null
null
null
null
4
P -1
-P 1
2
- C15 H23 N2 O3 -
- C15 H23 N2 O3 -
- C30 H46 N4 O6 -
2
1
Olszak, Tomasz A.; Sobczynski, Piotr H.; Brzozowski, A. M.; Grabowski, M. J.; Gwozdzinski, Krzysztof
Piperidine Nitroxide Radicals with Heterocyclic Ring Substituents. 4-Hydroxy-2,2,6,6-tetramethyl-4-(2-pyridylmethyl 1-oxide)piperidine 1-oxide
Acta Crystallographica, Section C: Crystal Structure Communications
1,995
51
1
121
123
10.1107/s0108270194007791
null
null
0.045
null
null
0.043
null
null
null
null
null
null
null
null
null
has coordinates
Olszak, Tomasz A.; Sobczynski, Piotr H.; Brzozowski, A. M.; Grabowski, M. J.; Gwozdzinski, Krzysztof Piperidine Nitroxide Radicals with Heterocyclic Ring Substituents. 4-Hydroxy-2,2,6,6-tetramethyl-4-(2-pyridylmethyl 1-oxide)piperidine 1-oxide Acta Crystallographica, Section C: Crystal Structure Communications 51(1) (1...
278,247
2022-09-28
15:09:32
#------------------------------------------------------------------------------ #$Date: 2022-09-28 18:08:17 +0300 (Wed, 28 Sep 2022) $ #$Revision: 278247 $ #$URL: file:///home/coder/svn-repositories/_RELOADED_COD/cod-reloaded/cif/2/01/03/2010384.cif $ #-------------------------------------------------------------------...
2,010,385
9.15
0.004
17.465
0.006
12.098
0.005
89.99
0.02
106.89
0.02
89.99
0.02
1,849.9
1.3
293
null
null
null
null
null
null
null
4
P 1 21/c 1
-P 2ybc
14
- C23 H23 N O3 -
- C23 H23 N O3 -
- C92 H92 N4 O12 -
4
1
KA1072
Kapor, A.; Stájer, G.; Frimpong-Manso, S.; Bernáth, G.
5a<i>r</i>-<i>p</i>-Tolyl-6a<i>t</i>,7<i>t</i>,8,9,10<i>t</i>,10a<i>t</i>-hexahydro-11<i>H</i>,13<i>H</i>-7,10-methano[1,3]benzoxazino[2,3-<i>b</i>][1,3]benzoxazin-13-one
Acta Crystallographica Section C
1,995
51
1
131
134
10.1107/S010827019400497X
0.7107
MoKα
null
0.05
null
null
0.058
null
null
null
null
0.87
0.87
null
null
null
has coordinates
Kapor, A.; Stájer, G.; Frimpong-Manso, S.; Bernáth, G. 5a<i>r</i>-<i>p</i>-Tolyl-6a<i>t</i>,7<i>t</i>,8,9,10<i>t</i>,10a<i>t</i>-hexahydro-11<i>H</i>,13<i>H</i>-7,10-methano[1,3]benzoxazino[2,3-<i>b</i>][1,3]benzoxazin-13-one Acta Crystallographica Section C 51(1) (1995) 131-134
301,798
2025-08-19
6:41:45
#------------------------------------------------------------------------------ #$Date: 2025-08-19 09:12:48 +0300 (Tue, 19 Aug 2025) $ #$Revision: 301798 $ #$URL: file:///home/coder/svn-repositories/_RELOADED_COD/cod-reloaded/cif/2/01/03/2010385.cif $ #-------------------------------------------------------------------...
2,010,386
15.606
0.002
10.624
0.002
13.499
0.002
90
null
98.89
0.01
90
null
2,211.2
0.6
295
null
null
null
null
null
null
null
5
P 1 21/c 1
-P 2ybc
14
- C25 H25 N O5 S -
- C25 H25 N O5 S -
- C100 H100 N4 O20 S4 -
4
1
LI1101
Urtiaga, M.K.; Badiá, D.; Domínguez, E.; González-Cameno, A.M.; Amigó, J.M.; Reventós, M.M.; Debaerdemaeker, T.
Methyl (3<i>R</i>*,4<i>R</i>*)-4-Hydroxy-3-phenyl-2-(<i>p</i>-toluenesulfonyl)-1,2,3,4-tetrahydro-4-isoquinolinylacetate
Acta Crystallographica Section C
1,995
51
1
112
114
10.1107/S010827019400524X
0.71069
MoKα
null
0.037
null
null
0.037
null
null
null
null
0.873
0.873
null
null
null
has coordinates
Urtiaga, M.K.; Badiá, D.; Domínguez, E.; González-Cameno, A.M.; Amigó, J.M.; Reventós, M.M.; Debaerdemaeker, T. Methyl (3<i>R</i>*,4<i>R</i>*)-4-Hydroxy-3-phenyl-2-(<i>p</i>-toluenesulfonyl)-1,2,3,4-tetrahydro-4-isoquinolinylacetate Acta Crystallographica Section C 51(1) (1995) 112-114
301,798
2025-08-19
6:41:45
#------------------------------------------------------------------------------ #$Date: 2025-08-19 09:12:48 +0300 (Tue, 19 Aug 2025) $ #$Revision: 301798 $ #$URL: file:///home/coder/svn-repositories/_RELOADED_COD/cod-reloaded/cif/2/01/03/2010386.cif $ #-------------------------------------------------------------------...