Crystallography Open Database

Information card for entry 4089181

Preview

Coordinates	4089181.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C23 H17 N O2 P Rh
Calculated formula	C23 H17 N O2 P Rh
SMILES	[Rh]12(C#[O])Oc3cccc4ccc([n]1c34)C[P]2(c1ccccc1)c1ccccc1
Title of publication	Synthesis and Reactivity of Phosphine-Quinolinolato Rhodium Complexes: Intermediacy of Vinylidene and (Amino)carbene Complexes in the Catalytic Hydroamination of Terminal Alkynes
Authors of publication	Takano, Shotaro; Kochi, Takuya; Kakiuchi, Fumitoshi
Journal of publication	Organometallics
Year of publication	2016
Journal volume	35
Journal issue	24
Pages of publication	4112
a	11.9073 ± 0.0015 Å
b	13.9158 ± 0.0016 Å
c	12.1176 ± 0.0016 Å
α	90°
β	109.92 ± 0.004°
γ	90°
Cell volume	1887.7 ± 0.4 Å³
Cell temperature	103 ± 2 K
Ambient diffraction temperature	103 ± 2 K
Number of distinct elements	6
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	0.0357
Residual factor for significantly intense reflections	0.0302
Weighted residual factors for significantly intense reflections	0.0688
Weighted residual factors for all reflections included in the refinement	0.0704
Goodness-of-fit parameter for all reflections included in the refinement	1.16
Diffraction radiation wavelength	0.71075 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

Version history

Revision	Date	Message	Files
238022 (current)	2019-11-24	cif/ Adding structures of 4089179, 4089180, 4089181, 4089182, 4089183 via cif-deposit CGI script.	4089181.cif