Crystallography Open Database

Information card for entry 8102268

Preview

Coordinates	8102268.cif

Structure parameters

Formula	C31 H22 Cl2 N4 S6
Calculated formula	C31 H20 Cl2 N4 S6
Title of publication	Crystal structure of 4,5,9,10-tetrathiocino[1,2-b;5,6-b']-diimidazolyl -1,3,6,8-tetraphenyl-2,7-dithione-dichloromethane (1:1), C30H20N4S6 · CH2Cl2
Authors of publication	Agnes Bittermann; Benno Bildstein; Klaus Wurst
Journal of publication	Zeitschrift für Kristallographie - New Crystal Structures
Year of publication	2008
Journal volume	223
Journal issue	3
Pages of publication	231
a	21.997 ± 0.0005 Å
b	13.6104 ± 0.0005 Å
c	23.1275 ± 0.0009 Å
α	90°
β	92.525 ± 0.002°
γ	90°
Cell volume	6917.4 ± 0.4 Å³
Cell temperature	233 ± 2 K
Ambient diffraction temperature	233 ± 2 K
Number of distinct elements	5
Space group number	15
Hermann-Mauguin space group symbol	C 1 2/c 1
Hall space group symbol	-C 2yc
Residual factor for all reflections	0.0782
Residual factor for significantly intense reflections	0.0541
Weighted residual factors for significantly intense reflections	0.1497
Weighted residual factors for all reflections included in the refinement	0.1633
Goodness-of-fit parameter for all reflections included in the refinement	1.053
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

Version history

Revision	Date	Message	Files
211175 (current)	2018-09-26	cif/ Removing _chemical_name_systematic and _chemical_name_common data items with placeholder values from 513 entries in range 8.	8102268.cif
176728	2016-02-18	cif/ (antanas@echidna.ibt.lt) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in range 8.	8102268.cif
35911	2012-02-28	cif/ Reorganising ranges 1, 3, 5, 6 and 8 into a prefix-directory tree.	8102268.cif
13007	2011-03-06	../uploads/cif-deposit/cod/cif Adding structures of 8102268 via cif-deposit CGI script.	8102268.cif