Crystallography Open Database

Information card for entry 4310250

Preview

Coordinates	4310250.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C64 H153 I Mo9 N4 O37
Calculated formula	C64 H144 I Mo9 N4 O37
SMILES	[I]12345[O]6[Mo]78(=O)(=O)[O]9[Mo]%106(=O)(=O)O[Mo]6(=O)(=O)(=O)[O]4[Mo]4%11(O[Mo]%12([O]3[Mo](O8)(=O)(=O)(=O)O%12)(=O)([O]%11[Mo]3([O]5[Mo](O[Mo]9(=O)(=O)([O]1%10)[O]27)(=O)(=O)(=O)O3)(O4)(=O)=O)=O)(O6)=O.O.[N+](CCCC)(CCCC)(CCCC)CCCC.[N+](CCCC)(CCCC)(CCCC)CCCC.[N+](CCCC)(CCCC)(CCCC)CCCC.[N+](CCCC)(CCCC)(CCCC)CCCC
Title of publication	Methoxide of an Anderson-Type Polyoxometalate and Its Conversion to a New Type of Species, [IMo9O32(OH)(OH2)3]4-
Authors of publication	Daisuke Honda; Tomoji Ozeki; Atsushi Yagasaki
Journal of publication	Inorganic Chemistry
Year of publication	2005
Journal volume	44
Pages of publication	9616 - 9618
a	24.549 ± 0.001 Å
b	17.979 ± 0.001 Å
c	22.86 ± 0.001 Å
α	90°
β	90°
γ	90°
Cell volume	10089.6 ± 0.8 Å³
Cell temperature	123 ± 2 K
Ambient diffraction temperature	123 ± 2 K
Number of distinct elements	6
Space group number	33
Hermann-Mauguin space group symbol	P n a 21
Hall space group symbol	P 2c -2n
Residual factor for all reflections	0.067
Residual factor for significantly intense reflections	0.0641
Weighted residual factors for significantly intense reflections	0.1729
Weighted residual factors for all reflections included in the refinement	0.1763
Goodness-of-fit parameter for all reflections included in the refinement	1.081
Diffraction radiation wavelength	0.3282 Å
Diffraction radiation type	synchrotron
Has coordinates	Yes
Has disorder	No
Has F_obs	No

Version history

Revision	Date	Message	Files
179141 (current)	2016-03-23	cif/4/31/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/31/02.	4310250.cif
120093	2014-07-12	Adding DOIs to range 4/31 structures.	4310250.cif
34330	2012-02-24	cif/4/ Reorganising CIF range 4 into a prefix tree.	4310250.cif
1526	2010-09-26	cif/4/ Adding new CIFs from Inorg. Chem. 2005 deposited via Web deposition site to the COD test database (and transferede to the main COD database after renaming).	4310250.cif