Crystallography Open Database

Information card for entry 4077904

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Structure parameters

Formula	C89 H74 B F25 O P3 Rh
Calculated formula	C89 H74 B F25 O P3 Rh
SMILES	[RhH2]12([P](C3CCCC3)(C3CCCC3)C3CCCC3)[P](c3ccccc3[O]2c2c([P]1(c1ccccc1)c1ccccc1)cccc2)(c1ccccc1)c1ccccc1.[B-](c1cc(cc(c1)C(F)(F)F)C(F)(F)F)(c1cc(cc(c1)C(F)(F)F)C(F)(F)F)(c1cc(cc(c1)C(F)(F)F)C(F)(F)F)c1cc(cc(c1)C(F)(F)F)C(F)(F)F.Fc1ccccc1
Title of publication	Rhodium Cyclopentyl Phosphine Complexes of Wide-Bite-Angle Ligands DPEphos and Xantphos
Authors of publication	Dallanegra, Romaeo; Chaplin, Adrian B.; Weller, Andrew S.
Journal of publication	Organometallics
Year of publication	2012
Journal volume	31
Journal issue	7
Pages of publication	2720
a	13.3042 ± 0.0003 Å
b	17.7665 ± 0.0003 Å
c	20.6626 ± 0.0005 Å
α	111.757 ± 0.0009°
β	97.3499 ± 0.0008°
γ	94.8652 ± 0.0011°
Cell volume	4452.23 ± 0.17 Å³
Cell temperature	150 ± 2 K
Ambient diffraction temperature	150 ± 2 K
Number of distinct elements	7
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.075
Residual factor for significantly intense reflections	0.051
Weighted residual factors for significantly intense reflections	0.1327
Weighted residual factors for all reflections included in the refinement	0.1435
Goodness-of-fit parameter for all reflections included in the refinement	1.055
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

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