Crystallography Open Database

Information card for entry 4084429

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Coordinates	4084429.cif
Original paper (by DOI)	HTML

Structure parameters

Common name	(L2)Rh(crotyl)
Formula	C56 H55 O10 P2 Rh
Calculated formula	C56 H55 O10 P2 Rh
Title of publication	Synthesis and Characterization of Crotyl Intermediates in Rh-Catalyzed Hydroformylation of 1,3-Butadiene
Authors of publication	Schmidt, Sebastian; Baráth, Eszter; Prommnitz, Tanja; Rosendahl, Tobias; Rominger, Frank; Hofmann, Peter
Journal of publication	Organometallics
Year of publication	2014
Journal volume	33
Journal issue	21
Pages of publication	6018
a	15.0024 ± 0.0005 Å
b	17.9114 ± 0.0006 Å
c	19.6456 ± 0.0007 Å
α	90°
β	111.232 ± 0.001°
γ	90°
Cell volume	4920.7 ± 0.3 Å³
Cell temperature	200 ± 2 K
Ambient diffraction temperature	200 ± 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	0.0723
Residual factor for significantly intense reflections	0.0429
Weighted residual factors for significantly intense reflections	0.1022
Weighted residual factors for all reflections included in the refinement	0.1174
Goodness-of-fit parameter for all reflections included in the refinement	1.027
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

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