Crystallography Open Database

Information card for entry 8102476

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Coordinates	8102476.cif

Structure parameters

Formula	C31 H27 Cl N8 O6 Zn
Calculated formula	C31 H27 Cl N8 O6 Zn
Title of publication	Crystal structure of [tris(2-benzimidazolymethyl)amine-N,N',N'',N''']-(2-aminobenzoato-O)zinc(II) perchlorate, [Zn(C24H21N7)(C7H6NO2)]ClO4
Authors of publication	Feng-Mei Nie; Min Li; Wei Liu; Guo-Xing Li; Tao Fang
Journal of publication	Zeitschrift für Kristallographie - New Crystal Structures
Year of publication	2009
Journal volume	224
Journal issue	3
Pages of publication	446
a	10.0687 ± 0.0004 Å
b	12.2891 ± 0.0005 Å
c	14.0851 ± 0.0006 Å
α	99.625 ± 0.002°
β	99.515 ± 0.002°
γ	110.751 ± 0.002°
Cell volume	1558.44 ± 0.12 Å³
Cell temperature	296 ± 2 K
Ambient diffraction temperature	296 ± 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	0.0545
Residual factor for significantly intense reflections	0.0431
Weighted residual factors for significantly intense reflections	0.1196
Weighted residual factors for all reflections included in the refinement	0.1326
Goodness-of-fit parameter for all reflections included in the refinement	1.058
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.	8102476.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.	8102476.cif
35911	2012-02-28	cif/ Reorganising ranges 1, 3, 5, 6 and 8 into a prefix-directory tree.	8102476.cif
13215	2011-03-06	../uploads/cif-deposit/cod/cif Adding structures of 8102476 via cif-deposit CGI script.	8102476.cif