Crystallography Open Database

Information card for entry 4339289

Preview

Coordinates	4339289.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C156.03 H136.84 B2 Cl6.49 I1.22 Ir2 Mo2 N8 O4 P4
Calculated formula	C156.028 H136.836 B2 Cl6.496 I1.22 Ir2 Mo2 N8 O4 P4
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	33.911 ± 0.003 Å
b	19.6687 ± 0.0018 Å
c	27.35 ± 0.002 Å
α	90°
β	126.895 ± 0.003°
γ	90°
Cell volume	14589 ± 2 Å³
Cell temperature	122 ± 1 K
Ambient diffraction temperature	122 ± 1 K
Number of distinct elements	10
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	0.0737
Residual factor for significantly intense reflections	0.0528
Weighted residual factors for significantly intense reflections	0.1492
Weighted residual factors for all reflections included in the refinement	0.1601
Goodness-of-fit parameter for all reflections included in the refinement	1.036
Diffraction radiation wavelength	0.71075 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	Yes
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.	4339289.cif
117252	2014-06-14	cif/ Adding structures of 4339285, 4339286, 4339287, 4339288, 4339289 via cif-deposit CGI script.	4339289.cif