Crystallography Open Database

Information card for entry 4329769

Preview

Coordinates	4329769.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C8 H52 Cl Cs0.5 N6.5 O23 P4 W
Calculated formula	C8 H38 Cl Cs0.5 N6.5 O18.5 P4 W
Title of publication	Polyoxometalates Functionalized by Bisphosphonate Ligands: Synthesis, Structural, Magnetic, and Spectroscopic Characterizations and Activity on Tumor Cell Lines
Authors of publication	Hani El Moll; Wei Zhu; Eric Oldfield; L. Marleny Rodriguez-Albelo; Pierre Mialane; Jérôme Marrot; Neus Vila; Israel Martyr Mbomekallé; Eric Rivière; Carole Duboc; Anne Dolbecq
Journal of publication	Inorganic Chemistry
Year of publication	2012
Journal volume	51
Pages of publication	7921 - 7931
a	17.526 ± 0.003 Å
b	10.3824 ± 0.0016 Å
c	17.522 ± 0.003 Å
α	90°
β	109.726 ± 0.006°
γ	90°
Cell volume	3001.2 ± 0.9 Å³
Cell temperature	293 ± 2 K
Ambient diffraction temperature	293 ± 2 K
Number of distinct elements	8
Space group number	15
Hermann-Mauguin space group symbol	C 1 2/c 1
Hall space group symbol	-C 2yc
Residual factor for all reflections	0.023
Residual factor for significantly intense reflections	0.0224
Weighted residual factors for significantly intense reflections	0.0645
Weighted residual factors for all reflections included in the refinement	0.0649
Goodness-of-fit parameter for all reflections included in the refinement	1.153
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.	4329769.cif
79006	2013-04-03	cif/ Adding structures of 4329769 via cif-deposit CGI script.	4329769.cif