Crystallography Open Database

Information card for entry 4301322

Preview

Coordinates	4301322.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C49 H38 Br F6 N P3 Rh
Calculated formula	C49 H38 Br F6 N P3 Rh
SMILES	[Rh]1(Br)([P](c2ccccc2)(c2ccccc2)c2ccccc2)([P](c2ccccc2)(c2ccccc2)c2ccccc2)[n]2c3c4c1cccc4ccc3ccc2.[P](F)(F)(F)(F)(F)[F-]
Title of publication	Chelation-Assisted Carbon-Halogen Bond Activation by a Rhodium(I) Complex
Authors of publication	Shanshan Chen; Yongxin Li; Jing Zhao; Xingwei Li
Journal of publication	Inorganic Chemistry
Year of publication	2009
Journal volume	48
Pages of publication	1198 - 1206
a	19.7286 ± 0.0005 Å
b	19.7688 ± 0.0006 Å
c	22.2111 ± 0.0007 Å
α	90°
β	90°
γ	90°
Cell volume	8662.6 ± 0.4 Å³
Cell temperature	173 ± 2 K
Ambient diffraction temperature	173 ± 2 K
Number of distinct elements	7
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	0.0796
Residual factor for significantly intense reflections	0.0357
Weighted residual factors for significantly intense reflections	0.0911
Weighted residual factors for all reflections included in the refinement	0.1235
Goodness-of-fit parameter for all reflections included in the refinement	1.128
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

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