Crystallography Open Database

Information card for entry 8106715

Preview

Coordinates	8106715.cif
Original paper (by DOI)	HTML

Structure parameters

Chemical name	Carbonyl-[4-(2,4-dichlorophenylamino)pent-3-en-2-onato]-triphenylphosphine- rhodium(I)
Formula	C30 H25 Cl2 N O2 P Rh
Calculated formula	C30 H25 Cl2 N O2 P Rh
SMILES	[Rh]1(OC(=CC(=[N]1c1c(Cl)cc(Cl)cc1)C)C)([P](c1ccccc1)(c1ccccc1)c1ccccc1)C#[O]
Title of publication	The crystal structure of carbonyl-[4-(2,4-dichlorophenylamino)pent-3-en-2-onato-κ2 N,O]-(triphenylphosphine-κP)rhodium(I), RhC30H25Cl2NO2P
Authors of publication	Venter, Gertruida J.S.
Journal of publication	Zeitschrift für Kristallographie - New Crystal Structures
Year of publication	2017
Journal volume	232
Journal issue	6
Pages of publication	901 - 903
a	7.6656 ± 0.0005 Å
b	16.6097 ± 0.0011 Å
c	20.9423 ± 0.0014 Å
α	90°
β	90°
γ	90°
Cell volume	2666.4 ± 0.3 Å³
Cell temperature	100 ± 2 K
Ambient diffraction temperature	100 ± 2 K
Number of distinct elements	7
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	0.0828
Residual factor for significantly intense reflections	0.065
Weighted residual factors for significantly intense reflections	0.142
Weighted residual factors for all reflections included in the refinement	0.1632
Goodness-of-fit parameter for all reflections included in the refinement	1.055
Diffraction radiation probe	x-ray
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
280816 (current)	2023-02-08	cif/ Adding structures of 8106715 via cif-deposit CGI script.	8106715.cif