Crystallography Open Database

Information card for entry 4322286

Preview

Coordinates	4322286.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C18 H44 Cl6 Fe Mo2 O2 P4 S4
Calculated formula	C18 H44 Cl6 Fe Mo2 O2 P4 S4
SMILES	O=[Mo]123[P](CC[S]1[Fe]1([S]2CC[P]3(C)C)([S]2[Mo]3(=O)([P](CC2)(C)C)[P](CC[S]13)(C)C)(Cl)Cl)(C)C.C(Cl)Cl.C(Cl)Cl
Title of publication	Synthesis of Bis{(2-dimethylphosphino)ethane-1-thiolato}bis(tert-butylthiolato)- molybdenum(IV) and Its Cluster-Forming Reactions with FeCl2 and CuBr
Authors of publication	Yasuhiro Arikawa; Hiroyuki Kawaguchi; Kazuo Kashiwabara; Kazuyuki Tatsumi
Journal of publication	Inorganic Chemistry
Year of publication	1999
Journal volume	38
Pages of publication	4549 - 4553
a	14.74 ± 0.002 Å
b	13.778 ± 0.002 Å
c	19.537 ± 0.002 Å
α	90°
β	97.713 ± 0.01°
γ	90°
Cell volume	3931.8 ± 0.9 Å³
Cell temperature	296.2 K
Ambient diffraction temperature	296.2 K
Number of distinct elements	8
Space group number	15
Hermann-Mauguin space group symbol	C 1 2/c 1
Hall space group symbol	-C 2yc
Residual factor for all reflections	0
Residual factor for significantly intense reflections	0
Weighted residual factors for significantly intense reflections	0
Weighted residual factors for all reflections included in the refinement	0.0538
Goodness-of-fit parameter for all reflections included in the refinement	1.107
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
176467 (current)	2016-02-16	cif/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in range 4.	4322286.cif
120105	2014-07-12	Adding DOIs to range 4/32 structures.	4322286.cif
34330	2012-02-24	cif/4/ Reorganising CIF range 4 into a prefix tree.	4322286.cif
20557	2011-06-11	../uploads/cif-deposit/cod/cif Adding structures of 4322286 via cif-deposit CGI script.	4322286.cif