Crystallography Open Database

Information card for entry 7210005

Preview

Coordinates	7210005.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C60 H61 Cd2 Mo8 N18 O38.5
Calculated formula	C60 H34 Cd2 Mo8 N18 O38.5
Title of publication	Three new inorganic‒organic hybrid compounds constructed from two kinds of octamolybdate clusters and flexible multidentate N-donor ligand: syntheses, structures, electrochemistry, luminescence, and photocatalytic properties
Authors of publication	Wang, Wei; Yang, Jin; Kan, Wei-Qiu; Ma, Jian-Fang
Journal of publication	CrystEngComm
Year of publication	2013
Journal volume	15
Journal issue	29
Pages of publication	5844
a	16.4725 ± 0.0007 Å
b	18.9713 ± 0.0004 Å
c	19.232 ± 0.0005 Å
α	108.409 ± 0.002°
β	108.935 ± 0.003°
γ	106.424 ± 0.003°
Cell volume	4871.8 ± 0.4 Å³
Cell temperature	293 ± 2 K
Ambient diffraction temperature	293 ± 2 K
Number of distinct elements	6
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.0957
Residual factor for significantly intense reflections	0.0637
Weighted residual factors for significantly intense reflections	0.1592
Weighted residual factors for all reflections included in the refinement	0.1894
Goodness-of-fit parameter for all reflections included in the refinement	1.035
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
176453 (current)	2016-02-16	cif/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in range 7.	7210005.cif
86899	2013-07-12	cif/ Adding structures of 7210003, 7210004, 7210005 via cif-deposit CGI script.	7210005.cif