Crystallography Open Database

Information card for entry 4086023

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Structure parameters

Chemical name	bicyclo[2.2.1]hepta-2,5-diene{N-2,6-diisopropylphenyl(t-butyl)amidato}rhodium(I) dimer
Formula	C52 H60 N2 O2 Rh2
Calculated formula	C52 H60 N2 O2 Rh2
SMILES	O1[Rh]234([CH]5C6[CH]2=[CH]3C(C6)[CH]4=5)[N](=C(c2ccccc2)O[Rh]234([N](=C1c1ccccc1)c1c(cccc1C(C)C)C(C)C)[CH]1=[CH]2C2CC1[CH]3=[CH]42)c1c(cccc1C(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	16.678 ± 0.007 Å
b	11.678 ± 0.005 Å
c	22.492 ± 0.01 Å
α	90°
β	102.067 ± 0.008°
γ	90°
Cell volume	4284 ± 3 Å³
Cell temperature	90 K
Ambient diffraction temperature	90 K
Number of distinct elements	5
Space group number	15
Hermann-Mauguin space group symbol	C 1 2/c 1
Hall space group symbol	-C 2yc
Residual factor for all reflections	0.0225
Residual factor for significantly intense reflections	0.0207
Weighted residual factors for significantly intense reflections	0.0536
Weighted residual factors for all reflections included in the refinement	0.0549
Goodness-of-fit parameter for all reflections included in the refinement	0.989
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.	4086023.cif
140039	2015-07-05	cif/ Adding structures of 4086023, 4086024, 4086025 via cif-deposit CGI script.	4086023.cif