Crystallography Open Database

Information card for entry 4088104

Preview

Coordinates	4088104.cif
Original paper (by DOI)	HTML

Structure parameters

Chemical name	Chloro-(η^4^-1,5-cyclooctadienyl)-(ferrocenyl-n-propylamino-carbene)-rhodium
Formula	C22 H29 Cl Fe N Rh
Calculated formula	C22 H29 Cl Fe N Rh
SMILES	[Rh]123(Cl)(=C([c]45[Fe]6789%10%11%12([cH]4[cH]6[cH]7[cH]58)[cH]4[cH]%12[cH]%11[cH]%10[cH]94)NCCC)[CH]4=[CH]1CC[CH]2=[CH]3CC4
Title of publication	Rhodium(I) Ferrocenylcarbene Complexes: Synthesis, Structural Determination, Electrochemistry, and Application as Hydroformylation Catalyst Precursors
Authors of publication	Ramollo, G. Kabelo; López-Gómez, María J.; Liles, David C.; Matsinha, Leah C.; Smith, Gregory S.; Bezuidenhout, Daniela I.
Journal of publication	Organometallics
Year of publication	2015
Journal volume	34
Journal issue	24
Pages of publication	5745
a	7.624 ± 0.0004 Å
b	10.9419 ± 0.0006 Å
c	12.8133 ± 0.0007 Å
α	110.51 ± 0.002°
β	92.852 ± 0.002°
γ	94.14 ± 0.002°
Cell volume	995.3 ± 0.09 Å³
Cell temperature	150 ± 2 K
Ambient diffraction temperature	150 ± 2 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	0.0446
Residual factor for significantly intense reflections	0.0295
Weighted residual factors for significantly intense reflections	0.0549
Weighted residual factors for all reflections included in the refinement	0.0591
Goodness-of-fit parameter for all reflections included in the refinement	1.01
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
237274 (current)	2019-11-24	cif/ Adding structures of 4088103, 4088104, 4088105, 4088106, 4088107 via cif-deposit CGI script.	4088104.cif