Crystallography Open Database

Information card for entry 4335619

Preview

Coordinates	4335619.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C6 H62 Mo12 N8 O67 P2
Calculated formula	C6 H2 Mo12 N8 O67 P2
Title of publication	Carboxylate-Functionalized Phosphomolybdates: Ligand-Directed Conformations
Authors of publication	Donghui Yang; Suzhi Li; Pengtao Ma; Jingping Wang; Jingyang Niu
Journal of publication	Inorganic Chemistry
Year of publication	2013
Journal volume	52
Pages of publication	8987 - 8992
a	11.8644 ± 0.0008 Å
b	13.909 ± 0.0009 Å
c	22.4975 ± 0.0015 Å
α	96.106 ± 0.001°
β	98.696 ± 0.001°
γ	100.23 ± 0.001°
Cell volume	3577.5 ± 0.4 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	0.0499
Residual factor for significantly intense reflections	0.0369
Weighted residual factors for significantly intense reflections	0.1075
Weighted residual factors for all reflections included in the refinement	0.1141
Goodness-of-fit parameter for all reflections included in the refinement	1.045
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
179459 (current)	2016-03-23	cif/4/33/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/33/56.	4335619.cif
101554	2014-02-14	cif/ Adding structures of 4335619 via cif-deposit CGI script.	4335619.cif