Crystallography Open Database

Information card for entry 7217906

Preview

Coordinates	7217906.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C21 H17 Cd2 N5 O9
Calculated formula	C21 H15 Cd2 N5 O9
Title of publication	Coordination assemblies of the MII-tm/bpt (M = Zn/Cd/Co/Ni) mixed-ligand system: positional isomeric effect, structural diversification and properties
Authors of publication	Huang, Fu-Ping; Yao, Peng-Fei; Luo, Wei; Li, Hai-Ye; Yu, Qing; Bian, Hedong; Yan, Shi-Ping
Journal of publication	RSC Adv.
Year of publication	2014
a	10.118 ± 0.002 Å
b	10.261 ± 0.002 Å
c	12.483 ± 0.003 Å
α	113.43 ± 0.03°
β	97.44 ± 0.03°
γ	94.64 ± 0.03°
Cell volume	1166.6 ± 0.5 Å³
Cell temperature	293 ± 2 K
Ambient diffraction temperature	293 ± 2 K
Number of distinct elements	5
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.0915
Residual factor for significantly intense reflections	0.0582
Weighted residual factors for significantly intense reflections	0.122
Weighted residual factors for all reflections included in the refinement	0.1502
Goodness-of-fit parameter for all reflections included in the refinement	1.116
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
180510 (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 7/21/79.	7217906.cif
123159	2014-09-06	cif/ Adding structures of 7217904, 7217905, 7217906, 7217907, 7217908, 7217909 via cif-deposit CGI script.	7217906.cif