Crystallography Open Database

Information card for entry 4065593

Preview

Coordinates	4065593.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C13 H11 O4 Rh
Calculated formula	C13 H11 O4 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	10.408 ± 0.0004 Å
b	7.836 ± 0.0003 Å
c	15.9878 ± 0.0006 Å
α	90°
β	103.213 ± 0.001°
γ	90°
Cell volume	1269.4 ± 0.08 Å³
Cell temperature	100 ± 2 K
Ambient diffraction temperature	100 ± 2 K
Number of distinct elements	4
Space group number	14
Hermann-Mauguin space group symbol	P 1 21/n 1
Hall space group symbol	-P 2yn
Residual factor for significantly intense reflections	0.0219
Weighted residual factors for all reflections included in the refinement	0.0572
Goodness-of-fit parameter for all reflections included in the refinement	1.105
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
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.	4065593.cif
91935	2013-12-29	cod/ (saulius@koala.ibt.lt) Adding DOIs that could be assigned unambiguously to the rest of COD CIFs.	4065593.cif
34330	2012-02-24	cif/4/ Reorganising CIF range 4 into a prefix tree.	4065593.cif
33615	2012-02-13	../uploads/cif-deposit/cod/cif Adding structures of 4065593, 4065594 via cif-deposit CGI script.	4065593.cif