Crystallography Open Database

Information card for entry 4086025

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Structure parameters

Chemical name	[N-(2,6-diisopropylphenyl)t-butylamidate]bis(triphenylphosphine)rhodium(I)
Formula	C53 H56 N O P2 Rh
Calculated formula	C53 H56 N O P2 Rh
SMILES	[Rh]1([P](c2ccccc2)(c2ccccc2)c2ccccc2)([P](c2ccccc2)(c2ccccc2)c2ccccc2)[O]=C(N1c1c(cccc1C(C)C)C(C)C)C(C)(C)C
Title of publication	Amidate-Ligated Complexes of Rhodium(I): A Showcase of Coordination Flexibility
Authors of publication	Drover, Marcus W.; Schafer, Laurel L.; Love, Jennifer A.
Journal of publication	Organometallics
Year of publication	2015
Journal volume	34
Journal issue	10
Pages of publication	1783
a	10.8229 ± 0.0014 Å
b	13.5515 ± 0.0018 Å
c	16.978 ± 0.002 Å
α	96.647 ± 0.003°
β	103.89 ± 0.003°
γ	109.96 ± 0.003°
Cell volume	2218.1 ± 0.5 Å³
Cell temperature	90 K
Ambient diffraction temperature	90 K
Number of distinct elements	6
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.0372
Residual factor for significantly intense reflections	0.0289
Weighted residual factors for significantly intense reflections	0.0656
Weighted residual factors for all reflections included in the refinement	0.0691
Goodness-of-fit parameter for all reflections included in the refinement	1.031
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

Version history

Revision	Date	Message	Files
301831 (current)	2025-08-20	Add cross-references to PubChem compounds in COD range 4/08/ Each referenced PubChem compound corresponds to the full crystal structure.	4086025.cif
140039	2015-07-05	cif/ Adding structures of 4086023, 4086024, 4086025 via cif-deposit CGI script.	4086025.cif