Crystallography Open Database

Information card for entry 7028809

Preview

Coordinates	7028809.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C14 H34 Cu Mo8 N8 O34
Calculated formula	C14 H28 Cu Mo8 N8 O34
SMILES	c12c[nH+]cc[n]1[Cu]1([n]3c(C(=O)O1)c[nH+]cc3)OC2=O.C(C[NH3+])[NH3+].[Mo]1234(O[Mo]56(=O)(O[Mo]78([O]1[Mo]19(=O)(O[Mo]%10%11(O[Mo]%12%13([O]%14[Mo]([O]267[Mo]%14(=O)(O5)([O]4%12)=O)([O]31%10%13)([O]89)(=O)O%11)(=O)=O)(=O)=O)=O)(=O)=O)=O)=O.O.O.C(C[NH3+])[NH3+].O.O
Title of publication	pH and amine-induced various octamolybdate-based metal-organic complexes: assembly, structures and properties.
Authors of publication	Wang, Xiuli; Han, Na; Lin, Hongyan; Tian, Aixiang; Liu, Guocheng; Zhang, Juwen
Journal of publication	Dalton transactions (Cambridge, England : 2003)
Year of publication	2014
Journal volume	43
Journal issue	5
Pages of publication	2052 - 2060
a	8.4443 ± 0.0005 Å
b	10.7103 ± 0.0007 Å
c	11.8338 ± 0.0008 Å
α	71.646 ± 0.001°
β	84.246 ± 0.001°
γ	81.5 ± 0.001°
Cell volume	1003.01 ± 0.11 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	0.0253
Residual factor for significantly intense reflections	0.0237
Weighted residual factors for significantly intense reflections	0.0649
Weighted residual factors for all reflections included in the refinement	0.0659
Goodness-of-fit parameter for all reflections included in the refinement	1.022
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
179994 (current)	2016-03-25	cif/7/02/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 7/02/88.	7028809.cif
105432	2014-03-12	cif/ Adding structures of 7028809, 7028810, 7028811 via cif-deposit CGI script.	7028809.cif