Crystallography Open Database

Information card for entry 7001229

Preview

Coordinates	7001229.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C41 H39 F3 O P3 Rh
Calculated formula	C41 H39 F3 O P3 Rh
SMILES	[Rh]([P](c1ccccc1)(c1ccccc1)C)([P](c1ccccc1)(c1ccccc1)C)([P](c1ccccc1)(c1ccccc1)C)(C#[O])C(F)(F)F
Title of publication	Synthesis of rhodium(i) and rhodium(iii) perfluoroalkyl complexes from [Rh(μ-OH)(COD)]2
Authors of publication	Vicente, José; Gil-Rubio, Juan; Guerrero-Leal, Juan; Bautista, Delia
Journal of publication	Dalton Transactions
Year of publication	2009
Journal issue	19
Pages of publication	3854 - 3866
a	19.3065 ± 0.0011 Å
b	10.2522 ± 0.0005 Å
c	37.1457 ± 0.0018 Å
α	90°
β	90°
γ	90°
Cell volume	7352.4 ± 0.7 Å³
Cell temperature	100 ± 2 K
Ambient diffraction temperature	100 ± 2 K
Number of distinct elements	6
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	0.0416
Residual factor for significantly intense reflections	0.0352
Weighted residual factors for significantly intense reflections	0.0821
Weighted residual factors for all reflections included in the refinement	0.0849
Goodness-of-fit parameter for all reflections included in the refinement	1.113
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

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