Crystallography Open Database

Information card for entry 4336974

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Coordinates	4336974.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C24 H96 Mo12 N10 O64 Se2
Calculated formula	C24 H36 Mo12 N10 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	24.247 ± 0.006 Å
b	16.319 ± 0.004 Å
c	22.904 ± 0.006 Å
α	90°
β	114.664 ± 0.005°
γ	90°
Cell volume	8236 ± 4 Å³
Cell temperature	296 ± 2 K
Ambient diffraction temperature	296 ± 2 K
Number of distinct elements	6
Space group number	14
Hermann-Mauguin space group symbol	P 1 21/c 1
Hall space group symbol	-P 2ybc
Residual factor for all reflections	0.167
Residual factor for significantly intense reflections	0.0667
Weighted residual factors for significantly intense reflections	0.1232
Weighted residual factors for all reflections included in the refinement	0.1455
Goodness-of-fit parameter for all reflections included in the refinement	1.001
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.	4336974.cif
103039	2014-02-25	cif/ Adding structures of 4336974 via cif-deposit CGI script.	4336974.cif