Crystallography Open Database

Information card for entry 7212511

Preview

Coordinates	7212511.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C12 H65 Mo18 N6 O86.5 P2
Calculated formula	C12 H20 Mo18 N6 O86.5 P2
Title of publication	Resolution of chiral polyoxoanion [P2Mo18O62]6− with histidine
Authors of publication	Liu, Ding; Tan, Hua-Qiao; Chen, Wei-Lin; Li, Yang-Guang; Wang, En-Bo
Journal of publication	CrystEngComm
Year of publication	2010
Journal volume	12
Journal issue	7
Pages of publication	2044
a	15.314 ± 0.003 Å
b	15.585 ± 0.003 Å
c	16.984 ± 0.003 Å
α	90°
β	104.48 ± 0.03°
γ	90°
Cell volume	3924.8 ± 1.4 Å³
Cell temperature	293 ± 2 K
Ambient diffraction temperature	293 ± 2 K
Number of distinct elements	6
Space group number	4
Hermann-Mauguin space group symbol	P 1 21 1
Hall space group symbol	P 2yb
Residual factor for all reflections	0.0677
Residual factor for significantly intense reflections	0.0651
Weighted residual factors for significantly intense reflections	0.1681
Weighted residual factors for all reflections included in the refinement	0.1695
Goodness-of-fit parameter for all reflections included in the refinement	1.125
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
176453 (current)	2016-02-16	cif/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in range 7.	7212511.cif
93074	2014-01-12	cif/ Adding structures of 7212509, 7212510, 7212511 via cif-deposit CGI script.	7212511.cif