Crystallography Open Database

Information card for entry 4336972

Preview

Coordinates	4336972.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C12 H82 Mo12 N10 O69 Se2
Calculated formula	C12 H12 Mo12 N10 O69 Se2
Title of publication	Controlled Assembly of Inorganic-Organic Frameworks Based on [SeMo6O21]4- Polyanion
Authors of publication	Donghui Yang; Suzhi Li; Pengtao Ma; Jingping Wang; Jingyang Niu
Journal of publication	Inorganic Chemistry
Year of publication	2013
Journal volume	52
Pages of publication	14034 - 14039
a	11.329 ± 0.005 Å
b	16.31 ± 0.008 Å
c	23.618 ± 0.011 Å
α	86.496 ± 0.009°
β	77.384 ± 0.008°
γ	71.585 ± 0.008°
Cell volume	4040 ± 3 Å³
Cell temperature	296 ± 2 K
Ambient diffraction temperature	296 ± 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	0.0898
Residual factor for significantly intense reflections	0.0481
Weighted residual factors for significantly intense reflections	0.1089
Weighted residual factors for all reflections included in the refinement	0.1205
Goodness-of-fit parameter for all reflections included in the refinement	1.016
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
179472 (current)	2016-03-23	cif/4/33/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/33/69.	4336972.cif
103037	2014-02-25	cif/ Adding structures of 4336972 via cif-deposit CGI script.	4336972.cif