Crystallography Open Database

Information card for entry 4079714

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Structure parameters

Formula	C49 H53 F N2 P2 Rh
Calculated formula	C49 H53 F 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	10.741 ± 0.0002 Å
b	11.606 ± 0.0002 Å
c	18.813 ± 0.0003 Å
α	74.523 ± 0.001°
β	88.812 ± 0.001°
γ	69.969 ± 0.001°
Cell volume	2116.98 ± 0.07 Å³
Cell temperature	150 ± 2 K
Ambient diffraction temperature	150 ± 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	0.0592
Residual factor for significantly intense reflections	0.0398
Weighted residual factors for significantly intense reflections	0.0861
Weighted residual factors for all reflections included in the refinement	0.0938
Goodness-of-fit parameter for all reflections included in the refinement	1.051
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

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