Crystallography Open Database

Information card for entry 4305257

Preview

Coordinates	4305257.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	Ce Cs10 H40 Mo22 O98 P2
Calculated formula	Ce Cs10 Mo22 O94 P2
SMILES	O1[Ce]23456([O]=[Mo]789(=O)O[Mo]%10%11%12(O[Mo]%13%14(=O)([O]%15%16=P%17%18[O]%19%20[Mo]%21%22%23(O[Mo]%24%19(=[O]6)(O[Mo]6(=[O]4)(=O)(O[Mo]4(O[Mo]%15(=O)(O%13)(O[Mo]%20(O%21)(O%24)(=O)O4)O[Mo]%16(=O)(O[Mo](=[O]2)(=O)(O7)([O]8%18)O%23)(O%22)O%14)([O]%11%176)(=O)O%12)O%10)=O)=O)O9)=O)O[Mo]246(=O)O[Mo]789(O[Mo]%10%11(=O)([O]%12%13=P%14%15[O]%16%17[Mo]%18%191(O[Mo]1(=[O]5)(=O)(O[Mo]5(O[Mo]%20%12(=O)(O%10)O[Mo]%17(O%19)(O[Mo]%10%16(O%18)(O[Mo]%13(=O)(O[Mo](=[O]3)(=O)(O2)([O]4%15)O%10)(O%11)O%20)=O)(=O)O5)([O]8%141)(=O)O9)O7)=O)O6)=O.[Cs+].O.[Cs+].[Cs+].O.[Cs+].[Cs+].O.O.O.O.O.O.[Cs+].O.[Cs+].[Cs+].O.[Cs+].[Cs+].O.O.O.O.O.O
Title of publication	Tetravalent Metal Complexation by Keggin and Lacunary Phosphomolybdate Anions
Authors of publication	Roy Copping; Leif Jonasson; Andrew J. Gaunt; Dennis Drennan; David Collison; Madeleine Helliwell; Ross J. Pirttijarvi; Chris J. Jones; Anne Huguet; David C. Apperley; Nikolas Kaltsoyannis; Iain May
Journal of publication	Inorganic Chemistry
Year of publication	2008
Journal volume	47
Pages of publication	5787 - 5798
a	37.7066 ± 0.0015 Å
b	13.3093 ± 0.0005 Å
c	19.9971 ± 0.0007 Å
α	90°
β	118.149 ± 0.006°
γ	90°
Cell volume	8848.6 ± 0.8 Å³
Cell temperature	293 ± 2 K
Ambient diffraction temperature	293 ± 2 K
Number of distinct elements	6
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	0.059
Residual factor for significantly intense reflections	0.0425
Weighted residual factors for significantly intense reflections	0.0974
Weighted residual factors for all reflections included in the refinement	0.1036
Goodness-of-fit parameter for all reflections included in the refinement	1.105
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
176467 (current)	2016-02-16	cif/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in range 4.	4305257.cif
120081	2014-07-12	Adding DOIs to range 4/30 structures.	4305257.cif
34330	2012-02-24	cif/4/ Reorganising CIF range 4 into a prefix tree.	4305257.cif
1167	2010-05-13	cif/ Adding data from the rest of 2009 RSC journals, Inorg-Chem-2008 and Chem-Comm-2010_18-19.	4305257.cif