Crystallography Open Database

Information card for entry 7001766

Preview

Coordinates	7001766.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C46 H44 Mo P4 S2
Calculated formula	C46 H44 Mo P4 S2
SMILES	[Mo]123(S)(S)[P](CC[P]1(c1ccccc1[P]2(CC[P]3(c1ccccc1)c1ccccc1)c1ccccc1)c1ccccc1)(c1ccccc1)c1ccccc1
Title of publication	Preparation of a bis(hydrosulfido) complex of Mo having a tetraphosphine co-ligand and its transformation into MoRh2 and MoIr2 mixed-metal sulfido clusters
Authors of publication	Iwasa, Kentaro; Seino, Hidetake; Niikura, Fumiya; Mizobe, Yasushi
Journal of publication	Dalton Transactions
Year of publication	2009
Journal issue	31
Pages of publication	6134
a	14.054 ± 0.003 Å
b	12.073 ± 0.002 Å
c	25.259 ± 0.005 Å
α	90°
β	103.749 ± 0.001°
γ	90°
Cell volume	4163 ± 1.4 Å³
Cell temperature	293.1 K
Number of distinct elements	5
Space group number	14
Hermann-Mauguin space group symbol	P 1 21/c 1
Hall space group symbol	-P 2ybc
Residual factor for significantly intense reflections	0.038
Weighted residual factors for all reflections included in the refinement	0.13
Goodness-of-fit parameter for all reflections included in the refinement	1.013
Diffraction radiation wavelength	0.7107 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
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.	7001766.cif
120443	2014-07-15	Adding 17924 DOIs guessed from source file names.	7001766.cif
35909	2012-02-26	cif/7/: reorganising range 7 into a prefix-directory tree.	7001766.cif
1143	2010-05-03	cif/7/ Adding CIFs from Dalton-Trans-2009/ deposition.	7001766.cif