Crystallography Open Database

Information card for entry 4077567

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Structure parameters

Formula	C23 H39 F6 P2 Rh
Calculated formula	C23 H39 F6 P2 Rh
Title of publication	Half-Sandwich Type Rhodium(I) Complexes with Arenes and Functionalized Arenes C6H5X(CH2)nPR2(R =iPr,tBu) as Nonchelating and Chelating Ligands
Authors of publication	Werner, Helmut; Canepa, Giuseppe; Ilg, Kerstin; Wolf, Justin
Journal of publication	Organometallics
Year of publication	2000
Journal volume	19
Journal issue	23
Pages of publication	4756
a	13.4365 ± 0.0016 Å
b	9.7565 ± 0.0008 Å
c	20.086 ± 0.002 Å
α	90°
β	104.023 ± 0.014°
γ	90°
Cell volume	2554.7 ± 0.5 Å³
Cell temperature	173 ± 2 K
Ambient diffraction temperature	173 ± 2 K
Number of distinct elements	5
Space group number	14
Hermann-Mauguin space group symbol	P 1 21/c 1
Hall space group symbol	-P 2ybc
Residual factor for all reflections	0.0535
Residual factor for significantly intense reflections	0.0413
Weighted residual factors for significantly intense reflections	0.1046
Weighted residual factors for all reflections included in the refinement	0.1105
Goodness-of-fit parameter for all reflections included in the refinement	1.01
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
301830 (current)	2025-08-20	Add cross-references to PubChem compounds in COD range 4/07/ Each referenced PubChem compound corresponds to the full crystal structure.	4077567.cif
178664	2016-03-21	cif/4/07/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/07/75.	4077567.cif
91935	2013-12-29	cod/ (saulius@koala.ibt.lt) Adding DOIs that could be assigned unambiguously to the rest of COD CIFs.	4077567.cif
54628	2012-04-28	cif/ Adding structures of 4077566, 4077567, 4077568 via cif-deposit CGI script.	4077567.cif