Crystallography Open Database

Information card for entry 2227634

Preview

Coordinates	2227634.cif
Structure factors	2227634.hkl
Original IUCr paper	HTML

Structure parameters

Chemical name	Tetraimidazolium hexa-μ~4~-oxido-dodeca-μ~2~-oxido- dodecaoxidohexaarsenate(III)hexamolybdenum(VI)cuprate(II)
Formula	C12 H20 As6 Cu Mo6 N8 O30
Calculated formula	C12 H20 As6 Cu Mo6 N8 O30
SMILES	c1[nH]cc[nH+]1.c1c[nH+]c[nH]1.O=[Mo]123(O[Mo]45(=O)([O]61[As]1O[As]7[O]89[Cu]%10%11%126[O]65[As]5O[As]%13[O]3%10[Mo]9(O2)(O[Mo]28(O[Mo]3(O[Mo]6(O4)(=O)(=O)[O]%113[As](O7)O1)(=O)(=O)[O]%122[As](O5)O%13)(=O)=O)(=O)=O)=O)=O.c1[nH]cc[nH+]1.c1c[nH+]c[nH]1
Title of publication	Tetraimidazolium hexa-μ~4~-oxido-dodeca-μ~2~-oxido-dodecaoxidohexaarsenate(III)hexamolybdenum(VI)cuprate(II)
Authors of publication	Liu, Meiduo; Su, Zhanhua; Shang, Yongchen
Journal of publication	Acta Crystallographica Section E
Year of publication	2010
Journal volume	66
Journal issue	10
Pages of publication	m1308
a	10.5696 ± 0.0007 Å
b	19.2842 ± 0.0012 Å
c	10.4678 ± 0.0007 Å
α	90°
β	106.747 ± 0.001°
γ	90°
Cell volume	2043.1 ± 0.2 Å³
Cell temperature	298 ± 2 K
Ambient diffraction temperature	298 ± 2 K
Number of distinct elements	7
Space group number	14
Hermann-Mauguin space group symbol	P 1 21/c 1
Hall space group symbol	-P 2ybc
Residual factor for all reflections	0.0391
Residual factor for significantly intense reflections	0.0298
Weighted residual factors for significantly intense reflections	0.0688
Weighted residual factors for all reflections included in the refinement	0.0726
Goodness-of-fit parameter for all reflections included in the refinement	1.032
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	Yes

Version history

Revision	Date	Message	Files
181197 (current)	2016-04-03	hkl/2/22/ (antanas@echidna) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 2/22/76.	2227634.cif 2227634.hkl
176789	2016-02-20	cif/2/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 2/22.	2227634.cif 2227634.hkl
120072	2014-07-11	Adding DOIs to range 2 structures.	2227634.cif 2227634.hkl
88064	2013-08-29	Adding _cod_database_fobs_code data item to all COD CIFs that have Fobs deposited and did not have this data item yet.	2227634.cif 2227634.hkl
26848	2011-09-28	cif/2/, hkl/2/, html/ Reorganising CIFs of the range 2* into the "prefix-directory" tree.	2227634.cif 2227634.hkl
5269	2010-12-22	hkl/ Adding Fobs data for the recent IUCr-published structres.	2227634.cif 2227634.hkl
4671	2010-12-18	../uploads/cif-deposit/cod/cif Adding structures of 2227634 via cif-deposit CGI script.	2227634.cif