Crystallography Open Database

Information card for entry 4065594

Preview

Coordinates	4065594.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C30 H26 O3 P Rh
Calculated formula	C30 H26 O3 P Rh
Title of publication	Substitution and Isomerization of Asymmetric β-Diketonato Rhodium(I) Complexes: A Crystallographic and Computational Study
Authors of publication	Hopmann, Kathrin H.; Stuurman, Nomampondomise F.; Muller, Alfred; Conradie, Jeanet
Journal of publication	Organometallics
Year of publication	2010
Journal volume	29
Journal issue	11
Pages of publication	2446
a	8.9967 ± 0.0003 Å
b	15.7725 ± 0.0005 Å
c	19.3044 ± 0.0007 Å
α	90.051 ± 0.002°
β	94.536 ± 0.002°
γ	104.963 ± 0.002°
Cell volume	2637.49 ± 0.16 Å³
Cell temperature	293 ± 2 K
Ambient diffraction temperature	293 ± 2 K
Number of distinct elements	5
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for significantly intense reflections	0.0436
Weighted residual factors for all reflections included in the refinement	0.1192
Goodness-of-fit parameter for all reflections included in the refinement	1.06
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
178548 (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 4/06/55.	4065594.cif
91935	2013-12-29	cod/ (saulius@koala.ibt.lt) Adding DOIs that could be assigned unambiguously to the rest of COD CIFs.	4065594.cif
34330	2012-02-24	cif/4/ Reorganising CIF range 4 into a prefix tree.	4065594.cif
33615	2012-02-13	../uploads/cif-deposit/cod/cif Adding structures of 4065593, 4065594 via cif-deposit CGI script.	4065594.cif