Crystallography Open Database

Information card for entry 4336975

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Coordinates	4336975.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C70 H210 Mo36 N42 O192 Se6
Calculated formula	C70 H30 Mo36 N42 O192 Se6
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	16.6345 ± 0.0016 Å
b	22.046 ± 0.002 Å
c	22.65 ± 0.004 Å
α	107.116 ± 0.003°
β	91.14 ± 0.003°
γ	111.423 ± 0.002°
Cell volume	7313.8 ± 1.6 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	0.2214
Residual factor for significantly intense reflections	0.0797
Weighted residual factors for significantly intense reflections	0.1617
Weighted residual factors for all reflections included in the refinement	0.191
Goodness-of-fit parameter for all reflections included in the refinement	1.011
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.	4336975.cif
103040	2014-02-25	cif/ Adding structures of 4336975 via cif-deposit CGI script.	4336975.cif