Crystallography Open Database

Information card for entry 4065040

Preview

Coordinates	4065040.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C24 H34 B10 Ir P S2
Calculated formula	C24 H33.9121 B10 Ir P S2
Title of publication	Monophosphine-o-Carborane Sulfide as a Noninnocent Ligand for C,S, S,S′, and B,S,S′ Coordination Modes of Half-Sandwich Iridium and Rhodium Complexes
Authors of publication	Yao, Zi-Jian; Jin, Guo-Xin
Journal of publication	Organometallics
Year of publication	2011
Journal volume	30
Journal issue	20
Pages of publication	5365
a	11.9243 ± 0.0013 Å
b	12.0239 ± 0.0014 Å
c	12.8524 ± 0.0014 Å
α	84.482 ± 0.002°
β	62.969 ± 0.002°
γ	84.006 ± 0.002°
Cell volume	1630 ± 0.3 Å³
Cell temperature	296 ± 2 K
Ambient diffraction temperature	296 ± 2 K
Number of distinct elements	6
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.068
Residual factor for significantly intense reflections	0.0485
Weighted residual factors for significantly intense reflections	0.1505
Weighted residual factors for all reflections included in the refinement	0.1775
Goodness-of-fit parameter for all reflections included in the refinement	1.091
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

Version history

Revision	Date	Message	Files
178503 (current)	2016-03-21	cif/4/06/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/06/50.	4065040.cif
91935	2013-12-29	cod/ (saulius@koala.ibt.lt) Adding DOIs that could be assigned unambiguously to the rest of COD CIFs.	4065040.cif
34330	2012-02-24	cif/4/ Reorganising CIF range 4 into a prefix tree.	4065040.cif
33140	2012-02-11	../uploads/cif-deposit/cod/cif Adding structures of 4065038, 4065039, 4065040, 4065041, 4065042 via cif-deposit CGI script.	4065040.cif