Crystallography Open Database

Information card for entry 4088105

Preview

Coordinates	4088105.cif
Original paper (by DOI)	HTML

Structure parameters

Chemical name	Dicarbonyl-chloro-(ferrocenyl-propylamino-carbene)-rhodium
Formula	C16 H17 Cl Fe N O2 Rh
Calculated formula	C16 H17 Cl Fe N O2 Rh
SMILES	[Rh](=C(NCCC)[c]12[Fe]3456789([cH]1[cH]3[cH]4[cH]25)[cH]1[cH]9[cH]8[cH]7[cH]61)(Cl)(C#[O])C#[O]
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	9.2379 ± 0.0005 Å
b	11.6398 ± 0.0004 Å
c	15.4055 ± 0.0009 Å
α	90°
β	93.669 ± 0.002°
γ	90°
Cell volume	1653.12 ± 0.14 Å³
Cell temperature	173 ± 2 K
Ambient diffraction temperature	173 ± 2 K
Number of distinct elements	7
Space group number	14
Hermann-Mauguin space group symbol	P 1 21/n 1
Hall space group symbol	-P 2yn
Residual factor for all reflections	0.0298
Residual factor for significantly intense reflections	0.0243
Weighted residual factors for significantly intense reflections	0.059
Weighted residual factors for all reflections included in the refinement	0.0614
Goodness-of-fit parameter for all reflections included in the refinement	1.159
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.	4088105.cif