Crystallography Open Database

Information card for entry 4339287

Preview

Coordinates	4339287.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C90.83 H93.67 Cl7.66 F12 Ir2 Mo2 N8 O4 P6
Calculated formula	C90.832 H93.664 Cl7.664 F12 Ir2 Mo2 N8 O4 P6
Title of publication	Linear metal-metal-bonded tetranuclear M-Mo-Mo-M complexes (M = Ir and Rh): oxidative metal-metal bond formation in a tetrametallic system and 1,4-addition reaction of alkyl halides.
Authors of publication	Ohashi, Masato; Shima, Asuka; Rüffer, Tobias; Mizomoto, Hitoshi; Kaneda, Yutaka; Mashima, Kazushi
Journal of publication	Inorganic chemistry
Year of publication	2007
Journal volume	46
Journal issue	16
Pages of publication	6702 - 6714
a	30.4565 ± 0.0004 Å
b	12.62185 ± 0.00016 Å
c	30.7539 ± 0.0004 Å
α	90°
β	115.304 ± 0.0004°
γ	90°
Cell volume	10688 ± 0.2 Å³
Cell temperature	233 ± 2 K
Ambient diffraction temperature	233 ± 2 K
Number of distinct elements	9
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	0.0715
Residual factor for significantly intense reflections	0.0618
Weighted residual factors for significantly intense reflections	0.1825
Weighted residual factors for all reflections included in the refinement	0.191
Goodness-of-fit parameter for all reflections included in the refinement	1.05
Diffraction radiation wavelength	0.71069 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.	4339287.cif
117252	2014-06-14	cif/ Adding structures of 4339285, 4339286, 4339287, 4339288, 4339289 via cif-deposit CGI script.	4339287.cif