Crystallography Open Database

Information card for entry 4303393

Preview

Coordinates	4303393.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	Ge2 H66 Mn4 Mo18 Na11 O101
Calculated formula	Ge2 Mn4 Mo18 Na11 O101
SMILES	[Ge]123[O]45[Mo]678(=O)O[Mo]9%10%11(=O)O[Mo]%12%13(=O)(O6)O[Mo]6%14%15(=O)O[Mo]%16%17(=O)(O[Mo]%18(=O)(O[Mo]%194(=O)(O[Mo]45(=O)(O[Mo](=O)(O6)(O%12)([O]5[Mn]6%12%20([O]4[Mn]4%21%22([O]=%19)[O]%193[Mn]3([O]=%18)([O]=%16)([OH2])[O]%21[Mo]%16%18%21(=O)O[Mo]%23%24(=O)(O[Mo]%25%26(=O)(O[Mo]%27%28(=O)(O[Mo]%29%30%31(=O)O[Mo]%32%33(=O)(O%16)O[Mo]%16%34(=O)(O[Mo]%35(=O)(O[Mo](=O)(O%16)(O%23)(O%18)[O]%21%24[Ge]([O]%31%33%34)([O]%26%28%35)[O]%20%22[Mn]5%19([O]=%14)([O]=%30)[O]3%32)(O%27)O%25)O%29)=[O]6)=[O]%12)=[O]4)[OH2])[O]2%13%15)O8)O7)(O9)[O]1%11%17)O%10.[Na+].[Na+].[Na+].[Na+].[Na+].[Na+].O.O.O.O.O.O.O.O.O.O.O.O.O.O.O.O.[Na+].[Na+].[Na+].[Na+].[Na+].O.O.O.O.O.O.O.O.O.O.O.O.O.O.O
Title of publication	Rare Sandwich-Type Polyoxomolybdates Constructed from Di-/Tetra-Nuclear Transition-Metal Clusters and Trivacant Keggin Germanomolybdate Fragments
Authors of publication	Suzhi Li; Junwei Zhao; Pengtao Ma; Juan Du; Jingyang Niu; Jingping Wang
Journal of publication	Inorganic Chemistry
Year of publication	2009
Journal volume	48
Pages of publication	9819 - 9830
a	11.6756 ± 0.001 Å
b	12.9056 ± 0.0011 Å
c	17.3437 ± 0.0015 Å
α	97.377 ± 0.002°
β	106.839 ± 0.001°
γ	111.845 ± 0.001°
Cell volume	2238.1 ± 0.3 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	0.0849
Residual factor for significantly intense reflections	0.0547
Weighted residual factors for significantly intense reflections	0.1338
Weighted residual factors for all reflections included in the refinement	0.1482
Goodness-of-fit parameter for all reflections included in the refinement	1.045
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.	4303393.cif
120081	2014-07-12	Adding DOIs to range 4/30 structures.	4303393.cif
34330	2012-02-24	cif/4/ Reorganising CIF range 4 into a prefix tree.	4303393.cif
5312	2011-01-03	cif/ Adding files, updated with the 'cif_fix_enum' program and the cif_core.dic dictionary. The enumerator values were fixed, mostly incorrect case, but also some values that had extra underscores, dashes or spaces. Unfortunately, 22 had non-ASCII characters with the 8-th bit set, and these got incorrectly interpreted as latin1 characters and converted to their UTF8 equivalents by Perl. To fix the structures, however, they need to be redeposited from the original files with the new CIFParser/cif_filter version.	4303393.cif
1125	2010-04-25	cif/4/ Adding CIFs for the Inorg-Chem-2009_11-24 deposition.	4303393.cif