Crystallography Open Database

Information card for entry 4336970

Preview

Coordinates	4336970.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C15 H42 Mo6 N6 O35 Se
Calculated formula	C15 H24 Mo6 N6 O35 Se
SMILES	[Mo]123(O[Mo]4([O]2[Se]2=[O]5[Mo]6(O4)([O]=C(C)O[Mo]5(O6)(=O)(=O)O[Mo]45(=O)([O]=C(C)O[Mo](O3)([O]24)(O5)(=O)=O)=O)(=O)=O)(=O)([O]=C(C)O1)=O)(=O)=O.c1c[nH]c[nH+]1.c1[nH]cc[nH+]1.c1[nH]cc[nH+]1.O.O.O.O.O.O.O.O
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	10.6278 ± 0.0006 Å
b	10.6429 ± 0.0006 Å
c	19.9819 ± 0.0012 Å
α	76.261 ± 0.001°
β	82.228 ± 0.001°
γ	87.064 ± 0.001°
Cell volume	2174.9 ± 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	0.0538
Residual factor for significantly intense reflections	0.046
Weighted residual factors for significantly intense reflections	0.1318
Weighted residual factors for all reflections included in the refinement	0.1392
Goodness-of-fit parameter for all reflections included in the refinement	1.033
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.	4336970.cif
103035	2014-02-25	cif/ Adding structures of 4336970 via cif-deposit CGI script.	4336970.cif