Crystallography Open Database

Information card for entry 4063847

Preview

Coordinates	4063847.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C25 H36 Cl Ir O3 P2
Calculated formula	C25 H36 Cl Ir O3 P2
Title of publication	Activation of a Nonstrained C(sp2)−C(sp2) Single Bond in a Vaska Complex Analogue Using Chelating Assistance
Authors of publication	Obenhuber, Andreas; Ruhland, Klaus
Journal of publication	Organometallics
Year of publication	2011
Journal volume	30
Journal issue	1
Pages of publication	171
a	11.3349 ± 0.0003 Å
b	14.784 ± 0.0004 Å
c	15.3145 ± 0.0004 Å
α	90°
β	90°
γ	90°
Cell volume	2566.33 ± 0.12 Å³
Cell temperature	173 ± 2 K
Ambient diffraction temperature	173 ± 2 K
Number of distinct elements	6
Space group number	61
Hermann-Mauguin space group symbol	P b c a
Hall space group symbol	-P 2ac 2ab
Residual factor for all reflections	0.0419
Residual factor for significantly intense reflections	0.038
Weighted residual factors for significantly intense reflections	0.0783
Weighted residual factors for all reflections included in the refinement	0.0807
Goodness-of-fit parameter for all reflections included in the refinement	1.173
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
178533 (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 4/06/38.	4063847.cif
91935	2013-12-29	cod/ (saulius@koala.ibt.lt) Adding DOIs that could be assigned unambiguously to the rest of COD CIFs.	4063847.cif
34330	2012-02-24	cif/4/ Reorganising CIF range 4 into a prefix tree.	4063847.cif
32695	2012-02-10	../uploads/cif-deposit/cod/cif Adding structures of 4063847 via cif-deposit CGI script.	4063847.cif