Crystallography Open Database

Information card for entry 4088103

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Coordinates	4088103.cif
Original paper (by DOI)	HTML

Structure parameters

Chemical name	Chloro-(η^4^-1,5-cyclooctadienyl)-(ferrocenyl-ethoxy-carbene)-rhodium
Formula	C21 H26 Cl Fe O Rh
Calculated formula	C21 H26 Cl Fe O Rh
SMILES	[Rh]123(Cl)([CH]4=[CH]1CC[CH]2=[CH]3CC4)=C(OCC)[c]12[Fe]3456789([cH]1[cH]3[cH]4[cH]25)[cH]1[cH]6[cH]7[cH]8[cH]91
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	7.1117 ± 0.0003 Å
b	15.6717 ± 0.0007 Å
c	17.0417 ± 0.0008 Å
α	90°
β	90°
γ	90°
Cell volume	1899.34 ± 0.15 Å³
Cell temperature	120 ± 2 K
Ambient diffraction temperature	120 ± 2 K
Number of distinct elements	6
Space group number	19
Hermann-Mauguin space group symbol	P 21 21 21
Hall space group symbol	P 2ac 2ab
Residual factor for all reflections	0.0438
Residual factor for significantly intense reflections	0.0344
Weighted residual factors for significantly intense reflections	0.0673
Weighted residual factors for all reflections included in the refinement	0.0701
Goodness-of-fit parameter for all reflections included in the refinement	1.074
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.	4088103.cif