Crystallography Open Database

Information card for entry 4065574

Preview

Coordinates	4065574.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C81 H67 B F24 Ir N2 S
Calculated formula	C81 H60 B F24 Ir N2 S
Title of publication	Synthesis and Reactions of Coordinatively Unsaturated Half-Sandwich Rhodium and Iridium Complexes Having a 2,6-Dimesitylbenzenethiolate Ligand
Authors of publication	Sakamoto, Mayumi; Ohki, Yasuhiro; Tatsumi, Kazuyuki
Journal of publication	Organometallics
Year of publication	2010
Journal volume	29
Journal issue	7
Pages of publication	1761
a	12.803 ± 0.003 Å
b	14.759 ± 0.003 Å
c	21.882 ± 0.005 Å
α	75.953 ± 0.006°
β	82.947 ± 0.008°
γ	72.827 ± 0.007°
Cell volume	3826.5 ± 1.5 Å³
Cell temperature	173.1 K
Number of distinct elements	7
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for significantly intense reflections	0.0677
Weighted residual factors for all reflections included in the refinement	0.1726
Goodness-of-fit parameter for all reflections included in the refinement	1.063
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.	4065574.cif
91935	2013-12-29	cod/ (saulius@koala.ibt.lt) Adding DOIs that could be assigned unambiguously to the rest of COD CIFs.	4065574.cif
34330	2012-02-24	cif/4/ Reorganising CIF range 4 into a prefix tree.	4065574.cif
33607	2012-02-13	../uploads/cif-deposit/cod/cif Adding structures of 4065569, 4065570, 4065571, 4065572, 4065573, 4065574, 4065575, 4065576, 4065577, 4065578 via cif-deposit CGI script.	4065574.cif