Crystallography Open Database

Information card for entry 7105475

Preview

Coordinates	7105475.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C17 H22 Cl N2 Rh
Calculated formula	C17 H22 Cl N2 Rh
SMILES	[Rh]123(Cl)(=C4N(N(c5c4cccc5)C)C)[CH]4=[CH]1CC[CH]2=[CH]3CC4
Title of publication	Versatile coordination chemistry of indazole-derived carbenes.
Authors of publication	Jothibasu, Ramasamy; Huynh, Han Vinh
Journal of publication	Chemical communications (Cambridge, England)
Year of publication	2010
Journal volume	46
Journal issue	17
Pages of publication	2986 - 2988
a	7.0142 ± 0.0004 Å
b	9.5187 ± 0.0006 Å
c	12.8813 ± 0.0008 Å
α	75.246 ± 0.001°
β	82.905 ± 0.001°
γ	74.531 ± 0.001°
Cell volume	800.12 ± 0.08 Å³
Cell temperature	223 ± 2 K
Ambient diffraction temperature	223 ± 2 K
Number of distinct elements	5
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.0358
Residual factor for significantly intense reflections	0.0336
Weighted residual factors for significantly intense reflections	0.0829
Weighted residual factors for all reflections included in the refinement	0.0842
Goodness-of-fit parameter for all reflections included in the refinement	1.065
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

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