Crystallography Open Database

Information card for entry 7061740

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Coordinates	7061740.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C21 H19 Cl F3 N2 Rh
Calculated formula	C21 H19 Cl F3 N2 Rh
Title of publication	Arylation of aldehydes catalyzed by fluorinated NHC–Rh(i) complexes
Authors of publication	Turcio-García, Luis Ángel; Valdés, Hugo; Hernández-Ortega, Simón; Canseco-Gonzalez, Daniel; Morales-Morales, David
Journal of publication	New Journal of Chemistry
Year of publication	2022
Journal volume	46
Journal issue	35
Pages of publication	16789 - 16800
a	11.5714 ± 0.0004 Å
b	13.0479 ± 0.0004 Å
c	25.9366 ± 0.001 Å
α	90°
β	90°
γ	90°
Cell volume	3916 ± 0.2 Å³
Cell temperature	298 ± 2 K
Ambient diffraction temperature	298 ± 2 K
Number of distinct elements	6
Space group number	61
Hermann-Mauguin space group symbol	P b c a
Hall space group symbol	-P 2ac 2ab
Residual factor for all reflections	0.0768
Residual factor for significantly intense reflections	0.0467
Weighted residual factors for significantly intense reflections	0.076
Weighted residual factors for all reflections included in the refinement	0.0859
Goodness-of-fit parameter for all reflections included in the refinement	1.104
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

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