Crystallography Open Database

Information card for entry 4064200

Preview

Coordinates	4064200.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C35 H49 Cl Ir O2 P
Calculated formula	C35 H49 Cl Ir O2 P
Title of publication	Steric and Electronic Parameters Characterizing Bulky and Electron-Rich Dialkylbiarylphosphines
Authors of publication	Diebolt, Olivier; Fortman, George C.; Clavier, Hervé; Slawin, Alexandra M. Z.; Escudero-Adán, Eduardo C.; Benet-Buchholz, Jordi; Nolan, Steven P.
Journal of publication	Organometallics
Year of publication	2011
Journal volume	30
Journal issue	6
Pages of publication	1668
a	10.8222 ± 0.0009 Å
b	28.978 ± 0.002 Å
c	10.5824 ± 0.0009 Å
α	90°
β	92.147 ± 0.002°
γ	90°
Cell volume	3316.4 ± 0.5 Å³
Cell temperature	100 ± 2 K
Ambient diffraction temperature	100 ± 2 K
Number of distinct elements	6
Space group number	14
Hermann-Mauguin space group symbol	P 1 21/c 1
Hall space group symbol	-P 2ybc
Residual factor for all reflections	0.0576
Residual factor for significantly intense reflections	0.0436
Weighted residual factors for significantly intense reflections	0.0918
Weighted residual factors for all reflections included in the refinement	0.0964
Goodness-of-fit parameter for all reflections included in the refinement	1.045
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
178536 (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 4/06/42.	4064200.cif
91935	2013-12-29	cod/ (saulius@koala.ibt.lt) Adding DOIs that could be assigned unambiguously to the rest of COD CIFs.	4064200.cif
34330	2012-02-24	cif/4/ Reorganising CIF range 4 into a prefix tree.	4064200.cif
32812	2012-02-10	../uploads/cif-deposit/cod/cif Adding structures of 4064193, 4064194, 4064195, 4064196, 4064197, 4064198, 4064199, 4064200, 4064201 via cif-deposit CGI script.	4064200.cif