Crystallography Open Database

Information card for entry 4336973

Preview

Coordinates	4336973.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C18 H80 Mo12 N10 O62 Se2
Calculated formula	C18 H24 Mo12 N10 O62 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	18.3195 ± 0.001 Å
b	27.2576 ± 0.0015 Å
c	19.4976 ± 0.0011 Å
α	90°
β	114.591 ± 0.001°
γ	90°
Cell volume	8853 ± 0.9 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/n 1
Hall space group symbol	-P 2yn
Residual factor for all reflections	0.0874
Residual factor for significantly intense reflections	0.0537
Weighted residual factors for significantly intense reflections	0.173
Weighted residual factors for all reflections included in the refinement	0.1931
Goodness-of-fit parameter for all reflections included in the refinement	1.08
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.	4336973.cif
103038	2014-02-25	cif/ Adding structures of 4336973 via cif-deposit CGI script.	4336973.cif