Crystallography Open Database

Information card for entry 4081179

Preview

Coordinates	4081179.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C39 H42 Cl F6 Ir O P2
Calculated formula	C39 H42 Cl F6 Ir O P2
Title of publication	Nucleophilic Attack in Methoxycarbenes: Heterolytic Cleavage of the Carbon (sp3)‒Oxygen Bond versus Aminolysis
Authors of publication	Talavera, M.; Bolaño, S.; Bravo, J.; Castro, J.; Garc\?ía-Fontán, S.; Hermida-Ramón, J. M.
Journal of publication	Organometallics
Year of publication	2013
Journal volume	32
Journal issue	15
Pages of publication	4402
a	40.922 ± 0.003 Å
b	12.8637 ± 0.001 Å
c	14.6334 ± 0.0012 Å
α	90°
β	101.358 ± 0.001°
γ	90°
Cell volume	7552.3 ± 1 Å³
Cell temperature	183 ± 2 K
Ambient diffraction temperature	183 ± 2 K
Number of distinct elements	7
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	0.0703
Residual factor for significantly intense reflections	0.0348
Weighted residual factors for significantly intense reflections	0.0727
Weighted residual factors for all reflections included in the refinement	0.0883
Goodness-of-fit parameter for all reflections included in the refinement	1.044
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
178700 (current)	2016-03-21	cif/4/08/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/08/11.	4081179.cif
88023	2013-08-27	cif/ Adding structures of 4081179 via cif-deposit CGI script.	4081179.cif