Crystallography Open Database

Information card for entry 4071887

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Coordinates	4071887.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C56.5 H45.5 Cl5.5 O P2 Rh
Calculated formula	C113 H88 Cl11 O2 P4 Rh2
Title of publication	New Trans-Chelating Ligands and Their Complexes and Catalytic Properties in the Mizoroki−Heck Arylation of Cyclohexene
Authors of publication	Kaganovsky, Luba; Cho, Kyung-Bin; Gelman, Dmitri
Journal of publication	Organometallics
Year of publication	2008
Journal volume	27
Journal issue	19
Pages of publication	5139
a	10.5211 ± 0.0006 Å
b	21.0544 ± 0.0012 Å
c	23.1205 ± 0.0014 Å
α	90°
β	97.247 ± 0.001°
γ	90°
Cell volume	5080.6 ± 0.5 Å³
Cell temperature	173 ± 1 K
Ambient diffraction temperature	173 ± 1 K
Number of distinct elements	6
Space group number	14
Hermann-Mauguin space group symbol	P 1 21/n 1
Hall space group symbol	-P 2yn
Residual factor for all reflections	0.0477
Residual factor for significantly intense reflections	0.0444
Weighted residual factors for significantly intense reflections	0.1064
Weighted residual factors for all reflections included in the refinement	0.1082
Goodness-of-fit parameter for all reflections included in the refinement	1.131
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

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