Crystallography Open Database

Information card for entry 4079713

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Coordinates	4079713.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C49 H58 F2 N2 P2 Rh
Calculated formula	C49 H58 F2 N2 P2 Rh
Title of publication	Ring-Expanded N-Heterocyclic Carbene Complexes of Rhodium with Bifluoride, Fluoride, and Fluoroaryl Ligands
Authors of publication	Segarra, Candela; Mas-Marz Elena; Lowe, John P.; Mahon, Mary F.; Poulten, Rebecca C.; Whittlesey, Michael K.
Journal of publication	Organometallics
Year of publication	2012
Journal volume	31
Journal issue	24
Pages of publication	8584
a	10.7914 ± 0.0003 Å
b	11.689 ± 0.0003 Å
c	18.7289 ± 0.0004 Å
α	75.783 ± 0.002°
β	86.843 ± 0.002°
γ	70.878 ± 0.002°
Cell volume	2162.93 ± 0.1 Å³
Cell temperature	120 ± 2 K
Ambient diffraction temperature	120 ± 2 K
Number of distinct elements	6
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.0531
Residual factor for significantly intense reflections	0.0333
Weighted residual factors for significantly intense reflections	0.0699
Weighted residual factors for all reflections included in the refinement	0.0727
Goodness-of-fit parameter for all reflections included in the refinement	0.935
Diffraction radiation wavelength	0.7107 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

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