Crystallography Open Database

Information card for entry 4089660

Preview

Coordinates	4089660.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C18 H24 Cl N2 O2 Rh
Calculated formula	C18 H24 Cl N2 O2 Rh
SMILES	[Rh]123(Cl)(=C4N5C(OCC5(C)C)=C5OCC(N45)(C)C)[CH]4=[CH]1C1[CH]2=[CH]3C4C1
Title of publication	Rhodium(I) Complexes of the Conformationally Rigid IBioxMe4 Ligand: Preparation of Mono-, Bis-, and Tris-ligated NHC Complexes
Authors of publication	Chaplin, Adrian B.
Journal of publication	Organometallics
Year of publication	2014
Journal volume	33
Journal issue	12
Pages of publication	3069
a	8.867 ± 0.0004 Å
b	17.2094 ± 0.0006 Å
c	23.0269 ± 0.0008 Å
α	90°
β	90°
γ	90°
Cell volume	3513.8 ± 0.2 Å³
Cell temperature	150 ± 2 K
Ambient diffraction temperature	150 ± 2 K
Number of distinct elements	6
Space group number	61
Hermann-Mauguin space group symbol	P b c a
Hall space group symbol	-P 2ac 2ab
Residual factor for all reflections	0.0679
Residual factor for significantly intense reflections	0.0543
Weighted residual factors for significantly intense reflections	0.135
Weighted residual factors for all reflections included in the refinement	0.1419
Goodness-of-fit parameter for all reflections included in the refinement	1.104
Diffraction radiation wavelength	0.7107 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

Version history

Revision	Date	Message	Files
243716 (current)	2019-11-26	cif/ Adding structures of 4089657, 4089658, 4089659, 4089660, 4089661, 4089662, 4089663, 4089664, 4089665, 4089666 via cif-deposit CGI script.	4089660.cif