Crystallography Open Database

Information card for entry 7217904

Preview

Coordinates	7217904.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C42 H48 N10 O24 Zn3
Calculated formula	C42 H40 N10 O24 Zn3
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	10.586 ± 0.002 Å
b	28.043 ± 0.008 Å
c	17.448 ± 0.003 Å
α	90°
β	92.08 ± 0.03°
γ	90°
Cell volume	5176 ± 2 Å³
Cell temperature	293 ± 2 K
Ambient diffraction temperature	293 ± 2 K
Number of distinct elements	5
Space group number	15
Hermann-Mauguin space group symbol	C 1 2/c 1
Hall space group symbol	-C 2yc
Residual factor for all reflections	0.0815
Residual factor for significantly intense reflections	0.0661
Weighted residual factors for significantly intense reflections	0.1715
Weighted residual factors for all reflections included in the refinement	0.1815
Goodness-of-fit parameter for all reflections included in the refinement	1.002
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.	7217904.cif
123159	2014-09-06	cif/ Adding structures of 7217904, 7217905, 7217906, 7217907, 7217908, 7217909 via cif-deposit CGI script.	7217904.cif