Crystallography Open Database

Information card for entry 8102548

Preview

Coordinates	8102548.cif

Structure parameters

Common name	bis(benzimidazole-2-ylmethy)amine)-dichloro-cobalt(II) methanol solvate
Chemical name	bis(benzimidazole-2-ylmethy)amine)-dichloro-cobalt(II) ‒ methanol
Formula	C17 H19 Cl2 Co N5 O
Calculated formula	C17 H19 Cl2 Co N5 O
SMILES	[Co]12([n]3c4c(cccc4)[nH]c3C[NH]2Cc2[n]1c1c(cccc1)[nH]2)(Cl)Cl.CO
Title of publication	Crystal structure of dichloro[bis(benzimidazole-2-ylmethyl)amine]cobalt(II) — methanol (1:1), Co(C16H15N5)Cl2 · CH3OH
Authors of publication	Ji-Cheng Ma; Dao-Cheng Xia; Jian-Fang Ma
Journal of publication	Zeitschrift für Kristallographie - New Crystal Structures
Year of publication	2009
Journal volume	224
Journal issue	4
Pages of publication	651
a	7.887 ± 0.005 Å
b	9.964 ± 0.005 Å
c	13.131 ± 0.005 Å
α	87.074 ± 0.005°
β	76.856 ± 0.005°
γ	73.706 ± 0.005°
Cell volume	964.4 ± 0.9 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	0.0546
Residual factor for significantly intense reflections	0.0401
Weighted residual factors for significantly intense reflections	0.1064
Weighted residual factors for all reflections included in the refinement	0.1257
Goodness-of-fit parameter for all reflections included in the refinement	1.124
Diffraction radiation wavelength	0.71069 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.	8102548.cif
35911	2012-02-28	cif/ Reorganising ranges 1, 3, 5, 6 and 8 into a prefix-directory tree.	8102548.cif
13287	2011-03-06	../uploads/cif-deposit/cod/cif Adding structures of 8102548 via cif-deposit CGI script.	8102548.cif