Crystallography Open Database

Information card for entry 7223996

Preview

Coordinates	7223996.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C29 H50 Co20 N24 O31 S25
Calculated formula	C25 H38 Co20 N24 O29 S25
Title of publication	The photocatalysis from a series of polyoxoazocobaltate high-nuclearity nanoclusters
Authors of publication	Mu, Bao; Wang, Qing; Huang, Rudan
Journal of publication	RSC Adv.
Year of publication	2016
a	14.153 ± 0.0015 Å
b	26.48 ± 0.003 Å
c	32.518 ± 0.003 Å
α	90°
β	114.332 ± 0.002°
γ	90°
Cell volume	11104 ± 2 Å³
Cell temperature	298 ± 2 K
Ambient diffraction temperature	298 ± 2 K
Number of distinct elements	6
Space group number	14
Hermann-Mauguin space group symbol	P 1 21/c 1
Hall space group symbol	-P 2ybc
Residual factor for all reflections	0.2267
Residual factor for significantly intense reflections	0.1038
Weighted residual factors for significantly intense reflections	0.2204
Weighted residual factors for all reflections included in the refinement	0.2455
Goodness-of-fit parameter for all reflections included in the refinement	1.032
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
193660 (current)	2017-03-05	cif/7/22/39/ (antanas@kurmis) Changing the values of '_chemical_formula_moiety' and '_chemical_formula_sum' data items from 'C29' to 'C29 H50 Co20 N24 O31 S25' after consulting the original publication in entry 7223996.	7223996.cif
174844	2016-01-23	cif/ Adding structures of 7223996, 7223997 via cif-deposit CGI script.	7223996.cif