Crystallography Open Database

Information card for entry 4067842

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Coordinates	4067842.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C57 H45 N4 O Rh
Calculated formula	C57 H45 N4 O Rh
Title of publication	Mild and Selective C(CO)‒C(α) Bond Cleavage of Ketones by Rhodium(III) Porphyrins: Scope and Mechanism
Authors of publication	Fung, Hong Sang; Li, Bao Zhu; Chan, Kin Shing
Journal of publication	Organometallics
Year of publication	2012
Journal volume	31
Journal issue	2
Pages of publication	570
a	12.318 ± 0.0004 Å
b	17.2038 ± 0.0006 Å
c	12.0957 ± 0.0004 Å
α	90°
β	97.676 ± 0.001°
γ	90°
Cell volume	2540.31 ± 0.15 Å³
Cell temperature	296 ± 2 K
Ambient diffraction temperature	296 ± 2 K
Number of distinct elements	5
Space group number	5
Hermann-Mauguin space group symbol	C 1 2 1
Hall space group symbol	C 2y
Residual factor for all reflections	0.0611
Residual factor for significantly intense reflections	0.0566
Weighted residual factors for significantly intense reflections	0.1616
Weighted residual factors for all reflections included in the refinement	0.1684
Goodness-of-fit parameter for all reflections included in the refinement	1.126
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

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