Crystallography Open Database

Information card for entry 8103276

Preview

Coordinates	8103276.cif

Structure parameters

Formula	C54 H58 Br4 Hg2 N10 O2
Calculated formula	C54 H58 Br4 Hg2 N10 O2
Title of publication	Crystal structure of bis{dibromo[m-1-(3-((2-methyl-1H-benzimidazol-1-yl)methyl)benzyl)-2-methyl-1H-benzimidazole-k2N,N'']mercury(II)} — N,N-dimethylformamide (1:2), [HgBr2(C24H22N4)]2 · 2C3H7NO
Authors of publication	Jiyong Hu; Chunli Liao; Jin'an Zhao; Haipeng Zhao
Journal of publication	Zeitschrift für Kristallographie - New Crystal Structures
Year of publication	2012
Journal volume	227
Journal issue	1
Pages of publication	69
a	9.5509 ± 0.0019 Å
b	12.774 ± 0.003 Å
c	13.357 ± 0.003 Å
α	64.42 ± 0.03°
β	86.81 ± 0.03°
γ	71.66 ± 0.03°
Cell volume	1389.1 ± 0.7 Å³
Cell temperature	293 ± 2 K
Ambient diffraction temperature	293 ± 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	0.0603
Residual factor for significantly intense reflections	0.0462
Weighted residual factors for significantly intense reflections	0.1108
Weighted residual factors for all reflections included in the refinement	0.1277
Goodness-of-fit parameter for all reflections included in the refinement	0.947
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
176728 (current)	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.	8103276.cif
52241	2012-04-09	../uploads/cif-deposit/cod/cif Adding structures of 8103276 via cif-deposit CGI script.	8103276.cif