Crystallography Open Database

Information card for entry 4069162

Preview

Coordinates	4069162.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C47 H47 Fe O2 P2 Rh
Calculated formula	C47 H47 Fe O2 P2 Rh
Title of publication	Bridging Group Effects in Chelating Bis(2,5-diphenylphospholane) Ligands for Rhodium-Catalyzed Asymmetric Hydroformylation
Authors of publication	Axtell, Alex T.; Klosin, Jerzy; Whiteker, Gregory T.; Cobley, Christopher J.; Fox, Martin E.; Jackson, Mark; Abboud, Khalil A.
Journal of publication	Organometallics
Year of publication	2009
Journal volume	28
Journal issue	10
Pages of publication	2993
a	11.3556 ± 0.0003 Å
b	11.3556 ± 0.0003 Å
c	26.4314 ± 0.0014 Å
α	90°
β	90°
γ	120°
Cell volume	2951.69 ± 0.19 Å³
Cell temperature	173 ± 2 K
Ambient diffraction temperature	173 ± 2 K
Number of distinct elements	6
Space group number	144
Hermann-Mauguin space group symbol	P 31
Hall space group symbol	P 31
Residual factor for all reflections	0.0277
Residual factor for significantly intense reflections	0.0243
Weighted residual factors for significantly intense reflections	0.0549
Weighted residual factors for all reflections included in the refinement	0.0556
Goodness-of-fit parameter for all reflections included in the refinement	0.986
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
178580 (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 4/06/91.	4069162.cif
91935	2013-12-29	cod/ (saulius@koala.ibt.lt) Adding DOIs that could be assigned unambiguously to the rest of COD CIFs.	4069162.cif
40157	2012-03-07	../uploads/cif-deposit/cod/cif Adding structures of 4069160, 4069161, 4069162, 4069163 via cif-deposit CGI script.	4069162.cif