Crystallography Open Database

Information card for entry 4123902

Preview

Coordinates	4123902.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C64 H73 N4 O5 P4 Rh
Calculated formula	C64 H73 N4 O5 P4 Rh
Title of publication	Incorporation of Pendant Bases into Rh(diphosphine)2 Complexes: Synthesis, Thermodynamic Studies, And Catalytic CO2 Hydrogenation Activity of [Rh(P2N2)2](+) Complexes.
Authors of publication	Lilio, Alyssia M.; Reineke, Mark H.; Moore, Curtis E.; Rheingold, Arnold L.; Takase, Michael K.; Kubiak, Clifford P.
Journal of publication	Journal of the American Chemical Society
Year of publication	2015
Journal volume	137
Journal issue	25
Pages of publication	8251 - 8260
a	9.989 ± 0.0002 Å
b	48.2896 ± 0.0009 Å
c	12.8422 ± 0.0003 Å
α	90°
β	112.625 ± 0.001°
γ	90°
Cell volume	5717.9 ± 0.2 Å³
Cell temperature	100 K
Ambient diffraction temperature	100 K
Number of distinct elements	6
Space group number	4
Hermann-Mauguin space group symbol	P 1 21 1
Hall space group symbol	P 2yb
Residual factor for all reflections	0.0257
Residual factor for significantly intense reflections	0.025
Weighted residual factors for significantly intense reflections	0.0578
Weighted residual factors for all reflections included in the refinement	0.0582
Goodness-of-fit parameter for all reflections included in the refinement	1.081
Diffraction radiation probe	x-ray
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

Version history

Revision	Date	Message	Files
140018 (current)	2015-07-04	cif/ Adding structures of 4123902 via cif-deposit CGI script.	4123902.cif