Crystallography Open Database

Information card for entry 7028544

Preview

Coordinates	7028544.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C36 H118 Cu2 Mo12 N8 O72 V2
Calculated formula	C33 H79 Cu2 Mo12 N7.5 O69 V2
Title of publication	Organic functionalization of polyoxometalate in aqueous solution: self-assembly of a new building block of {VMo6O25} with triethanolamine.
Authors of publication	Gao, Qiao; Li, Fengyan; Wang, Yuchao; Xu, Lin; Bai, Jie; Wang, Ya
Journal of publication	Dalton transactions (Cambridge, England : 2003)
Year of publication	2014
Journal volume	43
Journal issue	3
Pages of publication	941 - 944
a	13.6392 ± 0.0012 Å
b	13.8543 ± 0.0012 Å
c	14.535 ± 0.002 Å
α	96.723 ± 0.001°
β	99.346 ± 0.001°
γ	117.124 ± 0.001°
Cell volume	2354.2 ± 0.4 Å³
Cell temperature	293 ± 2 K
Ambient diffraction temperature	293 ± 2 K
Number of distinct elements	7
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.0797
Residual factor for significantly intense reflections	0.0526
Weighted residual factors for significantly intense reflections	0.146
Weighted residual factors for all reflections included in the refinement	0.1674
Goodness-of-fit parameter for all reflections included in the refinement	1.029
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

Version history

Revision	Date	Message	Files
179991 (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 7/02/85.	7028544.cif
105358	2014-03-12	cif/ Adding structures of 7028544 via cif-deposit CGI script.	7028544.cif