Crystallography Open Database

Information card for entry 8103373

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Coordinates	8103373.cif

Structure parameters

Formula	C22 H14 Cd0.5 Cl N4 Ni O2
Calculated formula	C22 H14 Cd0.5 Cl N4 Ni O2
Title of publication	Crystal structure of (dichloro-2k2Cl)bis[tribenzo-[d,h,l][3,7,10,14]-tetraaza[14]annulene- 1,2-diolato-1k4N,N',N'',N''':2k2O,O')cadmium(II)dinickel(II), CdCl2[Ni(C22H14N4O2)]2
Authors of publication	Dan Wang; Xiaojian Kong; Xiaozeng Li
Journal of publication	Zeitschrift für Kristallographie - New Crystal Structures
Year of publication	2012
Journal volume	227
Journal issue	2
Pages of publication	191
a	12.66 ± 0.006 Å
b	10.09 ± 0.005 Å
c	14.706 ± 0.007 Å
α	90°
β	95.532 ± 0.007°
γ	90°
Cell volume	1869.8 ± 1.6 Å³
Cell temperature	113 ± 2 K
Ambient diffraction temperature	113 ± 2 K
Number of distinct elements	7
Space group number	13
Hermann-Mauguin space group symbol	P 1 2/n 1
Hall space group symbol	-P 2yac
Residual factor for all reflections	0.0801
Residual factor for significantly intense reflections	0.0546
Weighted residual factors for significantly intense reflections	0.0987
Weighted residual factors for all reflections included in the refinement	0.111
Goodness-of-fit parameter for all reflections included in the refinement	1.003
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.	8103373.cif
176466	2016-02-16	cif/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in range 8.	8103373.cif
62134	2012-07-07	cif/ Adding structures of 8103373 via cif-deposit CGI script.	8103373.cif