Crystallography Open Database

Information card for entry 4336971

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Coordinates	4336971.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C6 H57 Mo12 N9 O64 Se2
Calculated formula	C6 Mo12 N9 O64 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	11.9029 ± 0.0004 Å
b	13.8995 ± 0.0005 Å
c	22.6008 ± 0.0008 Å
α	96.057 ± 0.001°
β	98.763 ± 0.001°
γ	100.213 ± 0.001°
Cell volume	3603.1 ± 0.2 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	0.0474
Residual factor for significantly intense reflections	0.0355
Weighted residual factors for significantly intense reflections	0.1001
Weighted residual factors for all reflections included in the refinement	0.1059
Goodness-of-fit parameter for all reflections included in the refinement	1.039
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.	4336971.cif
103036	2014-02-25	cif/ Adding structures of 4336971 via cif-deposit CGI script.	4336971.cif