Crystallography Open Database

Information card for entry 4301102

Preview

Coordinates	4301102.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C52 H39 N21 O12 Zn7
Calculated formula	C52 H37 N21 O12 Zn7
Title of publication	Construction of a Three-Dimensional Polynuclear Zinc Compound Based on Unique Metallophthalocyanine-like Subunits
Authors of publication	Kui-Zhan Shao; Ya-Hui Zhao; Xin-Long Wang; Ya-Qian Lan; De-Jun Wang; Zhong-Min Su; Rong-Shun Wang
Journal of publication	Inorganic Chemistry
Year of publication	2009
Journal volume	48
Pages of publication	10 - 12
a	12.5552 ± 0.0008 Å
b	18.0199 ± 0.0012 Å
c	13.8109 ± 0.001 Å
α	90°
β	105.359 ± 0.001°
γ	90°
Cell volume	3013 ± 0.4 Å³
Cell temperature	293 ± 2 K
Ambient diffraction temperature	293 ± 2 K
Number of distinct elements	5
Space group number	11
Hermann-Mauguin space group symbol	P 1 21/m 1
Hall space group symbol	-P 2yb
Residual factor for all reflections	0.0918
Residual factor for significantly intense reflections	0.0485
Weighted residual factors for significantly intense reflections	0.0927
Weighted residual factors for all reflections included in the refinement	0.1131
Goodness-of-fit parameter for all reflections included in the refinement	1.002
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
179049 (current)	2016-03-22	cif/4/30/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/30/11.	4301102.cif
120081	2014-07-11	Adding DOIs to range 4/30 structures.	4301102.cif
34330	2012-02-24	cif/4/ Reorganising CIF range 4 into a prefix tree.	4301102.cif
1054	2010-03-28	cif/4/ Adding data extracted in Inorg-Chem-2009_01-10/ processing.	4301102.cif