Crystallography Open Database

Information card for entry 4075075

Preview

Coordinates	4075075.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C28 H32 Cl N2 Rh
Calculated formula	C28 H32 Cl N2 Rh
SMILES	C1(N(C=CN1c1c(cc(cc1C)C)C)c1c(cc(cc1C)C)C)=[Rh]123([CH]4=[CH]1C1[CH]2=[CH]3C4C1)Cl
Title of publication	New Rhodium(I) Carbene Complexes from Carbene Transfer Reactions
Authors of publication	Yu, Xiao-Yan; Patrick, Brian O.; James, Brian R.
Journal of publication	Organometallics
Year of publication	2006
Journal volume	25
Journal issue	9
Pages of publication	2359
a	35.387 ± 0.003 Å
b	17.511 ± 0.001 Å
c	16.885 ± 0.001 Å
α	90°
β	103.882 ± 0.003°
γ	90°
Cell volume	10157.4 ± 1.2 Å³
Cell temperature	173 ± 2 K
Ambient diffraction temperature	173 ± 2 K
Number of distinct elements	5
Space group number	15
Hermann-Mauguin space group symbol	C 1 2/c 1
Hall space group symbol	-C 2yc
Residual factor for all reflections	0.0439
Residual factor for significantly intense reflections	0.0321
Weighted residual factors for significantly intense reflections	0.082
Weighted residual factors for all reflections included in the refinement	0.0867
Goodness-of-fit parameter for all reflections included in the refinement	1.072
Diffraction radiation wavelength	0.71069 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

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