Crystallography Open Database

Information card for entry 4329494

Preview

Coordinates	4329494.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C42 H133 F6 Mo3 O17 P7 S4
Calculated formula	C42 H79 F6 Mo3 O17 P7 S4
Title of publication	Water-Soluble Mo3S4 Clusters Bearing Hydroxypropyl Diphosphine Ligands: Synthesis, Crystal Structure, Aqueous Speciation, and Kinetics of Substitution Reactions
Authors of publication	Manuel G. Basallote; M. Jesús Fernández-Trujillo; Jose Ángel Pino-Chamorro; Tomás F. Beltrán; Carolina Corao; Rosa Llusar; Maxim Sokolov; Cristian Vicent
Journal of publication	Inorganic Chemistry
Year of publication	2012
Journal volume	51
Pages of publication	6794 - 6802
a	26.4129 ± 0.001 Å
b	15.305 ± 0.0005 Å
c	18.5707 ± 0.0007 Å
α	90°
β	108.184 ± 0.004°
γ	90°
Cell volume	7132.3 ± 0.5 Å³
Cell temperature	167.7 K
Ambient diffraction temperature	167.7 K
Number of distinct elements	7
Space group number	5
Hermann-Mauguin space group symbol	C 1 2 1
Hall space group symbol	C 2y
Residual factor for all reflections	0.0625
Residual factor for significantly intense reflections	0.0508
Weighted residual factors for significantly intense reflections	0.1388
Weighted residual factors for all reflections included in the refinement	0.1491
Goodness-of-fit parameter for all reflections included in the refinement	1.076
Diffraction radiation wavelength	0.7107 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

Version history

Revision	Date	Message	Files
179397 (current)	2016-03-23	cif/4/32/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/32/94.	4329494.cif
78551	2013-04-02	cif/ Adding structures of 4329494 via cif-deposit CGI script.	4329494.cif