Crystallography Open Database

Information card for entry 7212783

Preview

Coordinates	7212783.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C8 H62 Mo6 N8 O40 P4
Calculated formula	C8 H38 Mo6 N8 O40 P4
Title of publication	Spontaneous resolution of a new diphosphonate-functionalized polyoxomolybdate
Authors of publication	Tan, Hua-Qiao; Chen, Wei-Lin; Liu, Ding; Li, Yang-Guang; Wang, En-Bo
Journal of publication	CrystEngComm
Year of publication	2010
Journal volume	12
Journal issue	12
Pages of publication	4017
a	14.626 ± 0.003 Å
b	17.129 ± 0.003 Å
c	9.684 ± 0.0019 Å
α	90°
β	90°
γ	90°
Cell volume	2426.1 ± 0.8 Å³
Cell temperature	293 ± 2 K
Ambient diffraction temperature	293 ± 2 K
Number of distinct elements	6
Space group number	18
Hermann-Mauguin space group symbol	P 21 21 2
Hall space group symbol	P 2 2ab
Residual factor for all reflections	0.0555
Residual factor for significantly intense reflections	0.0459
Weighted residual factors for significantly intense reflections	0.1117
Weighted residual factors for all reflections included in the refinement	0.1175
Goodness-of-fit parameter for all reflections included in the refinement	0.996
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
180458 (current)	2016-03-26	cif/7/21/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 7/21/27.	7212783.cif
93277	2014-01-12	cif/ Adding structures of 7212783, 7212784 via cif-deposit CGI script.	7212783.cif