Crystallography Open Database

Information card for entry 4089658

Preview

Coordinates	4089658.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C33 H48 Cl N6 O6 Rh
Calculated formula	C33 H48 Cl N6 O6 Rh
SMILES	[Rh](Cl)(=C1N2C(OCC2(C)C)=C2OCC(N12)(C)C)(=C1N2C(OCC2(C)C)=C2OCC(N12)(C)C)=C1N2C(OCC2(C)C)=C2OCC(N12)(C)C
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	11.5989 ± 0.0004 Å
b	17.8176 ± 0.0007 Å
c	16.7145 ± 0.0006 Å
α	90°
β	100.135 ± 0.004°
γ	90°
Cell volume	3400.4 ± 0.2 Å³
Cell temperature	150 ± 2 K
Ambient diffraction temperature	150 ± 2 K
Number of distinct elements	6
Space group number	7
Hermann-Mauguin space group symbol	P 1 c 1
Hall space group symbol	P -2yc
Residual factor for all reflections	0.0583
Residual factor for significantly intense reflections	0.0432
Weighted residual factors for significantly intense reflections	0.0817
Weighted residual factors for all reflections included in the refinement	0.0855
Goodness-of-fit parameter for all reflections included in the refinement	1.095
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.	4089658.cif