Crystallography Open Database

Information card for entry 7217909

Preview

Coordinates	7217909.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C66 H60 N20 Ni3 O21
Calculated formula	C66 H58 N20 Ni3 O21
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	11.324 ± 0.002 Å
b	12.462 ± 0.003 Å
c	13.474 ± 0.003 Å
α	78.55 ± 0.03°
β	71.71 ± 0.03°
γ	71.54 ± 0.03°
Cell volume	1702.1 ± 0.7 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	0.1961
Residual factor for significantly intense reflections	0.1085
Weighted residual factors for significantly intense reflections	0.1913
Weighted residual factors for all reflections included in the refinement	0.2319
Goodness-of-fit parameter for all reflections included in the refinement	1.085
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
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.	7217909.cif
123159	2014-09-06	cif/ Adding structures of 7217904, 7217905, 7217906, 7217907, 7217908, 7217909 via cif-deposit CGI script.	7217909.cif