Crystallography Open Database

Information card for entry 7035623

Preview

Coordinates	7035623.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C14 F6 Ir O
Calculated formula	C14 F6 Ir O
Title of publication	A (pentafluoroethyl)(trifluoromethyl)carbene complex of iridium and reductive activation of its sp(3)α, β, and γ carbon-fluorine bonds to give perfluoro-2-butyne, perfluoro-1,2,3-butatriene and perfluoro-1-irida-2-methyl-2-cyclobutene) complexes.
Authors of publication	Yuan, Jian; Hughes, Russell P.; Rheingold, Arnold L.
Journal of publication	Dalton transactions (Cambridge, England : 2003)
Year of publication	2015
Journal volume	44
Journal issue	45
Pages of publication	19518 - 19527
a	15.2475 ± 0.0009 Å
b	14.3291 ± 0.0008 Å
c	7.632 ± 0.0005 Å
α	90°
β	90°
γ	90°
Cell volume	1667.46 ± 0.17 Å³
Cell temperature	198.15 K
Ambient diffraction temperature	198.15 K
Number of distinct elements	4
Space group number	62
Hermann-Mauguin space group symbol	P n m a
Hall space group symbol	-P 2ac 2n
Residual factor for all reflections	0.0408
Residual factor for significantly intense reflections	0.0386
Weighted residual factors for significantly intense reflections	0.1106
Weighted residual factors for all reflections included in the refinement	0.1116
Goodness-of-fit parameter for all reflections included in the refinement	1.172
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

Version history

Revision	Date	Message	Files
171163 (current)	2015-12-09	cif/ Updating files of 7035622, 7035623, 7035624 Original log message: Adding full bibliography for 7035622--7035624.cif.	7035623.cif
139990	2015-07-04	cif/ Adding structures of 7035622, 7035623, 7035624 via cif-deposit CGI script.	7035623.cif