Crystallography Open Database

Information card for entry 4332483

Preview

Coordinates	4332483.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C24 H72 F6 Mo14 N6 Na4 O56
Calculated formula	C24 H72 F6 Mo14 N6 Na4 O56
SMILES	[Mo]1234([F]56[Mo]78(O2)(O[Mo]29([F]%10[Mo]%11(O2)(O[Mo]2%12([F]([Mo](O1)(O2)(=O)(=O)[O]4[Mo]([O]%11%12)([O]89)=O)[Na]15%10([OH2][Na]245([F]8[Mo]9%10(O[Mo]%118(O[Mo]8%12%13([F]%142[Mo]2(O[Mo]%15%16([F]4[Mo](O9)(O%15)(=O)(=O)[O]%10[Mo]([O]2%16)([O]%11%13)=O)(=O)=O)(O8)(=O)=[O][Na]%14([O]=%12)([OH2]5)([OH2])[OH2])=O)(=O)=O)(=O)=O)[OH2]1)[OH2][Na]6([O]=7)([O]=3)([OH2])[OH2])(=O)=O)(=O)=O)(=O)=O)=O)=O.O.O.[N+](C)(C)(C)C.[N+](C)(C)(C)C.[N+](C)(C)(C)C.O.O.[N+](C)(C)(C)C.[N+](C)(C)(C)C.[N+](C)(C)(C)C
Title of publication	Synthesis and Characterization of Novel Fluorinated Poly(oxomolybdates)
Authors of publication	Michailovski, Alexej; Rüegger, Heinz; Sheptyakov, Denis; Patzke, Greta R.
Journal of publication	Inorganic Chemistry
Year of publication	2006
Journal volume	45
Journal issue	14
Pages of publication	5641 - 5652
a	19.141 ± 0.005 Å
b	13.982 ± 0.003 Å
c	32.214 ± 0.008 Å
α	90°
β	99.474 ± 0.005°
γ	90°
Cell volume	8504 ± 4 Å³
Cell temperature	295 ± 2 K
Ambient diffraction temperature	295 ± 2 K
Number of distinct elements	7
Space group number	15
Hermann-Mauguin space group symbol	C 1 2/c 1
Hall space group symbol	-C 2yc
Residual factor for all reflections	0.0535
Residual factor for significantly intense reflections	0.0364
Weighted residual factors for significantly intense reflections	0.0847
Weighted residual factors for all reflections included in the refinement	0.0901
Goodness-of-fit parameter for all reflections included in the refinement	1.048
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
179427 (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 4/33/24.	4332483.cif
98339	2014-01-30	cif/ Adding structures of 4332479, 4332480, 4332481, 4332482, 4332483 via cif-deposit CGI script.	4332483.cif