Crystallography Open Database

Information card for entry 7210004

Preview

Coordinates	7210004.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C120 H122 Mo16 N36 O81 S Zn6
Calculated formula	C120 H60 Mo16 N36 O81 S Zn6
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	16.994 ± 0.0003 Å
b	18.914 ± 0.0004 Å
c	18.948 ± 0.0008 Å
α	108.314 ± 0.003°
β	106.718 ± 0.002°
γ	109.066 ± 0.002°
Cell volume	4920.6 ± 0.3 Å³
Cell temperature	293 ± 2 K
Ambient diffraction temperature	293 ± 2 K
Number of distinct elements	7
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.0962
Residual factor for significantly intense reflections	0.0716
Weighted residual factors for significantly intense reflections	0.1976
Weighted residual factors for all reflections included in the refinement	0.2232
Goodness-of-fit parameter for all reflections included in the refinement	1.044
Diffraction radiation wavelength	0.71069 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

Version history

Revision	Date	Message	Files
180431 (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 7/21/00.	7210004.cif
86899	2013-07-12	cif/ Adding structures of 7210003, 7210004, 7210005 via cif-deposit CGI script.	7210004.cif