Crystallography Open Database

Information card for entry 4063790

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Structure parameters

Common name	IIIA042
Chemical name	IIIA042
Formula	C131 H114 B2 F48 P2 Rh2
Calculated formula	C131 H114 B2 F48 P2 Rh2
SMILES	c12ccccc1[C]13C=CC=C[CH]=1[Rh]1453([CH]3=[CH]5C5[CH]4=[CH]1C3C5)[P]2(C1CCCCC1)C1CCCCC1.c1(cc(cc(c1)C(F)(F)F)C(F)(F)F)[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.CCCCC
Title of publication	Synthesis, Characterization, and Reactivity of Arene-Stabilized Rhodium Complexes
Authors of publication	O’Connor, Abby R.; Kaminsky, Werner; Heinekey, D. Michael; Goldberg, Karen I.
Journal of publication	Organometallics
Year of publication	2011
Journal volume	30
Journal issue	8
Pages of publication	2105
a	43.1899 ± 0.0016 Å
b	12.6185 ± 0.0005 Å
c	25.9395 ± 0.001 Å
α	90°
β	117.385 ± 0.001°
γ	90°
Cell volume	12552.6 ± 0.8 Å³
Cell temperature	100 ± 2 K
Ambient diffraction temperature	100 ± 2 K
Number of distinct elements	6
Space group number	9
Hermann-Mauguin space group symbol	C 1 c 1
Hall space group symbol	C -2yc
Residual factor for all reflections	0.0526
Residual factor for significantly intense reflections	0.0413
Weighted residual factors for significantly intense reflections	0.0949
Weighted residual factors for all reflections included in the refinement	0.1008
Goodness-of-fit parameter for all reflections included in the refinement	1.02
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

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