Crystallography Open Database

Information card for entry 4305635

Preview

Coordinates	4305635.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C88 H100 Cl8 Mo6 N2 O P4 S6
Calculated formula	C88 H90 Cl8 Mo6 N2 O P4 S6
Title of publication	Synthesis and Study of Hexanuclear Molybdenum Clusters Containing Thiolate Ligands
Authors of publication	Lisa F. Szczepura; Karen A. Ketcham; Betty A. Ooro; Julia A. Edwards; Jeffrey N. Templeton; David L. Cedeño; Alan J. Jircitano
Journal of publication	Inorganic Chemistry
Year of publication	2008
Journal volume	47
Pages of publication	7271 - 7278
a	12.3894 ± 0.0011 Å
b	13.7651 ± 0.0012 Å
c	15.0974 ± 0.0013 Å
α	103.975 ± 0.002°
β	99.69 ± 0.002°
γ	98.062 ± 0.002°
Cell volume	2418.4 ± 0.4 Å³
Cell temperature	193 ± 2 K
Ambient diffraction temperature	193 ± 2 K
Number of distinct elements	8
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.1106
Residual factor for significantly intense reflections	0.0419
Weighted residual factors for significantly intense reflections	0.0719
Weighted residual factors for all reflections included in the refinement	0.086
Goodness-of-fit parameter for all reflections included in the refinement	0.847
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
176432 (current)	2016-02-14	cif/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries.	4305635.cif
120081	2014-07-12	Adding DOIs to range 4/30 structures.	4305635.cif
34330	2012-02-24	cif/4/ Reorganising CIF range 4 into a prefix tree.	4305635.cif
1167	2010-05-13	cif/ Adding data from the rest of 2009 RSC journals, Inorg-Chem-2008 and Chem-Comm-2010_18-19.	4305635.cif