Crystallography Open Database

Information card for entry 4088106

Preview

Coordinates	4088106.cif
Original paper (by DOI)	HTML

Structure parameters

Chemical name	Chloro-carbonyl-(triphenylphosphine)-(ferrocenyl-n-propylamino-carbene) -rhodium bis(dichloromethane) solvate
Formula	C34 H33 Cl5 Fe O2 P Rh
Calculated formula	C34 H33 Cl5 Fe O2 P Rh
SMILES	[Rh](=C(OCC)[c]12[Fe]3456789([cH]1[cH]3[cH]4[cH]25)[cH]1[cH]6[cH]7[cH]8[cH]91)(Cl)(C#[O])[P](c1ccccc1)(c1ccccc1)c1ccccc1.C(Cl)Cl.C(Cl)Cl
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	10.1692 ± 0.0006 Å
b	13.202 ± 0.0008 Å
c	13.6942 ± 0.0008 Å
α	83.776 ± 0.003°
β	88.267 ± 0.003°
γ	71.216 ± 0.002°
Cell volume	1730.3 ± 0.18 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	0.0845
Residual factor for significantly intense reflections	0.067
Weighted residual factors for significantly intense reflections	0.186
Weighted residual factors for all reflections included in the refinement	0.2015
Goodness-of-fit parameter for all reflections included in the refinement	1.049
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.	4088106.cif