Crystallography Open Database

Information card for entry 8103270

Preview

Coordinates	8103270.cif

Structure parameters

Formula	C31 H27.28 Cl Co N8 O6.14
Calculated formula	C31.035 H27 Cl Co N8 O6.15
Title of publication	Crystal structure of [tris(2-benzimidazolylmethyl)amine-N,N',N'',N'''](2-aminobenzoato-O)cobalt(II) perchlorate — water (1:0.14), [Co(C24H21N7)(C7H6NO2)][ClO4] · 0.14H2O
Authors of publication	Jun-Yan Cui; Yong Hou; Feng-Mei Nie
Journal of publication	Zeitschrift für Kristallographie - New Crystal Structures
Year of publication	2012
Journal volume	227
Journal issue	1
Pages of publication	63
a	9.986 ± 0.004 Å
b	12.126 ± 0.005 Å
c	14.046 ± 0.005 Å
α	99.41 ± 0.003°
β	98.375 ± 0.004°
γ	111.299 ± 0.004°
Cell volume	1523.9 ± 1 Å³
Cell temperature	103 ± 2 K
Ambient diffraction temperature	103 ± 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	0.053
Residual factor for significantly intense reflections	0.0392
Weighted residual factors for significantly intense reflections	0.1004
Weighted residual factors for all reflections included in the refinement	0.1056
Goodness-of-fit parameter for all reflections included in the refinement	1.078
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	Yes
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.	8103270.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.	8103270.cif
52235	2012-04-09	../uploads/cif-deposit/cod/cif Adding structures of 8103270 via cif-deposit CGI script.	8103270.cif