Crystallography Open Database

Information card for entry 8103202

Preview

Coordinates	8103202.cif

Structure parameters

Formula	C30 H32 N12 Ni O6 S2
Calculated formula	C30 H32 N12 Ni O6 S2
Title of publication	Crystal structure of hexaimidazolenickel(II) 4,4'-biphenyldisulfonate, [Ni(C3H4N2)6][C12H8S2O6]
Authors of publication	Ping Liu; Shihui Li; Zhen Liu; Zhiling Feng; Xiaojing Sun
Journal of publication	Zeitschrift für Kristallographie - New Crystal Structures
Year of publication	2011
Journal volume	226
Journal issue	4
Pages of publication	511
a	8.829 ± 0.003 Å
b	9.303 ± 0.003 Å
c	11.601 ± 0.004 Å
α	103.129 ± 0.005°
β	92.989 ± 0.005°
γ	108.096 ± 0.005°
Cell volume	874.3 ± 0.5 Å³
Cell temperature	273 ± 2 K
Ambient diffraction temperature	273 ± 2 K
Number of distinct elements	6
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.0346
Residual factor for significantly intense reflections	0.029
Weighted residual factors for significantly intense reflections	0.0776
Weighted residual factors for all reflections included in the refinement	0.0821
Goodness-of-fit parameter for all reflections included in the refinement	1.048
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.	8103202.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.	8103202.cif
35911	2012-02-28	cif/ Reorganising ranges 1, 3, 5, 6 and 8 into a prefix-directory tree.	8103202.cif
32544	2012-02-09	../uploads/cif-deposit/cod/cif Adding structures of 8103202 via cif-deposit CGI script.	8103202.cif