Crystallography Open Database

Information card for entry 7211562

Preview

Coordinates	7211562.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C6 H9 Cu2 I N9 Na
Calculated formula	C6 H9 Cu2 I N9 Na
Title of publication	In situ solvothermal syntheses of a heteronuclear copper(I)-alkaline metallic tetrazole-based coordination polymer
Authors of publication	Liu, Biao; Qiu, Yong-Cai; Peng, Guo; Deng, Hong
Journal of publication	CrystEngComm
Year of publication	2010
Journal volume	12
Journal issue	1
Pages of publication	270
a	9.5131 ± 0.0013 Å
b	15.302 ± 0.002 Å
c	9.8789 ± 0.0013 Å
α	90°
β	90°
γ	90°
Cell volume	1438.1 ± 0.3 Å³
Cell temperature	296 ± 2 K
Ambient diffraction temperature	296 ± 2 K
Number of distinct elements	6
Space group number	62
Hermann-Mauguin space group symbol	P n m a
Hall space group symbol	-P 2ac 2n
Residual factor for all reflections	0.0424
Residual factor for significantly intense reflections	0.0315
Weighted residual factors for significantly intense reflections	0.071
Weighted residual factors for all reflections included in the refinement	0.0757
Goodness-of-fit parameter for all reflections included in the refinement	1.035
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
180446 (current)	2016-03-26	cif/7/21/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 7/21/15.	7211562.cif
92114	2014-01-12	cif/ Adding structures of 7211560, 7211561, 7211562 via cif-deposit CGI script.	7211562.cif