Crystallography Open Database

Information card for entry 7210104

Preview

Coordinates	7210104.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C6 H8 Mn N10 O2
Calculated formula	C6 H8 Mn N10 O2
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	9.3707 ± 0.0019 Å
b	12.181 ± 0.002 Å
c	9.1857 ± 0.0018 Å
α	90°
β	90°
γ	90°
Cell volume	1048.5 ± 0.3 Å³
Cell temperature	113 ± 2 K
Ambient diffraction temperature	113 ± 2 K
Number of distinct elements	5
Space group number	41
Hermann-Mauguin space group symbol	A b a 2
Hall space group symbol	A 2 -2ab
Residual factor for all reflections	0.0731
Residual factor for significantly intense reflections	0.0705
Weighted residual factors for significantly intense reflections	0.1862
Weighted residual factors for all reflections included in the refinement	0.1888
Goodness-of-fit parameter for all reflections included in the refinement	1.303
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.	7210104.cif
87034	2013-07-13	cif/ Adding structures of 7210101, 7210102, 7210103, 7210104, 7210105, 7210106 via cif-deposit CGI script.	7210104.cif