Crystallography Open Database

Information card for entry 4067198

Preview

Coordinates	4067198.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C25 H36 F6 Ir2 N O P
Calculated formula	C25 H36 F6 Ir2 N O P
Title of publication	Organoiridium Pyridonates and Their Role in the Dehydrogenation of Alcohols
Authors of publication	Royer, Aaron M.; Rauchfuss, Thomas B.; Gray, Danielle L.
Journal of publication	Organometallics
Year of publication	2010
Journal volume	29
Journal issue	24
Pages of publication	6763
a	27.7377 ± 0.0014 Å
b	8.8279 ± 0.0005 Å
c	22.6147 ± 0.0011 Å
α	90°
β	94.363 ± 0.003°
γ	90°
Cell volume	5521.5 ± 0.5 Å³
Cell temperature	173 ± 2 K
Ambient diffraction temperature	173 ± 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	0.0548
Residual factor for significantly intense reflections	0.0399
Weighted residual factors for significantly intense reflections	0.0816
Weighted residual factors for all reflections included in the refinement	0.0914
Goodness-of-fit parameter for all reflections included in the refinement	1.039
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
178562 (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 4/06/71.	4067198.cif
91935	2013-12-29	cod/ (saulius@koala.ibt.lt) Adding DOIs that could be assigned unambiguously to the rest of COD CIFs.	4067198.cif
34330	2012-02-24	cif/4/ Reorganising CIF range 4 into a prefix tree.	4067198.cif
34119	2012-02-13	../uploads/cif-deposit/cod/cif Adding structures of 4067198 via cif-deposit CGI script.	4067198.cif