Crystallography Open Database

Information card for entry 4502528

Preview

Coordinates	4502528.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C10 H6 N12 Zn
Calculated formula	C10 H6 N12 Zn
Title of publication	Syntheses, Structures, and Properties of Honeycomb and Square Grid Coordination Polymers with In Situ Formed 5-(2′-Pyrimidyl)tetrazolate
Authors of publication	Zhang, Jian-Yong; Cheng, Ai-Ling; Sun, Qian; Yue, Qi; Gao, En-Qing
Journal of publication	Crystal Growth & Design
Year of publication	2010
Journal volume	10
Journal issue	7
Pages of publication	2908
a	8.34 ± 0.0008 Å
b	9.4598 ± 0.0009 Å
c	17.8056 ± 0.0017 Å
α	90°
β	90°
γ	90°
Cell volume	1404.8 ± 0.2 Å³
Cell temperature	293 ± 2 K
Ambient diffraction temperature	293 ± 2 K
Number of distinct elements	4
Space group number	61
Hermann-Mauguin space group symbol	P b c a
Hall space group symbol	-P 2ac 2ab
Residual factor for all reflections	0.0453
Residual factor for significantly intense reflections	0.0284
Weighted residual factors for significantly intense reflections	0.0712
Weighted residual factors for all reflections included in the refinement	0.0801
Goodness-of-fit parameter for all reflections included in the refinement	1.027
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
179556 (current)	2016-03-24	cif/4/50/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/50/25.	4502528.cif
91935	2013-12-29	cod/ (saulius@koala.ibt.lt) Adding DOIs that could be assigned unambiguously to the rest of COD CIFs.	4502528.cif
36452	2012-03-01	../uploads/cif-deposit/cod/cif Adding structures of 4502528 via cif-deposit CGI script.	4502528.cif