Crystallography Open Database

Information card for entry 7210103

Preview

Coordinates	7210103.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C6 H8 Cu N10 O2
Calculated formula	C6 H8 Cu N10 O2
SMILES	[O]1[Cu]2([n]3c(NC=1C)nnn3)n1c(NC(C)=[O]2)nnn1
Title of publication	Coordination polymers of tetrazole-yl acylamide with octahedrally coordinated divalent transition metals: the effects of metal centers and side-groups on the structural topologies and symmetries
Authors of publication	Liao, Jian-Zhen; Ke, Hua; Liu, Jian-Jun; Li, Zuo-Yin; Lin, Mei-Jin; Wang, Jun-Dong; Huang, Chang-Cang
Journal of publication	CrystEngComm
Year of publication	2013
Journal volume	15
Journal issue	24
Pages of publication	4830
a	7.0989 ± 0.0014 Å
b	9.0946 ± 0.0018 Å
c	8.1688 ± 0.0016 Å
α	90°
β	102.65 ± 0.03°
γ	90°
Cell volume	514.59 ± 0.19 Å³
Cell temperature	293 ± 2 K
Ambient diffraction temperature	293 ± 2 K
Number of distinct elements	5
Space group number	14
Hermann-Mauguin space group symbol	P 1 21/n 1
Hall space group symbol	-P 2yn
Residual factor for all reflections	0.0377
Residual factor for significantly intense reflections	0.0352
Weighted residual factors for significantly intense reflections	0.0838
Weighted residual factors for all reflections included in the refinement	0.0851
Goodness-of-fit parameter for all reflections included in the refinement	1.156
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
180432 (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 7/21/01.	7210103.cif
87034	2013-07-13	cif/ Adding structures of 7210101, 7210102, 7210103, 7210104, 7210105, 7210106 via cif-deposit CGI script.	7210103.cif