Crystallography Open Database

Information card for entry 4123905

Preview

Coordinates	4123905.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C57 H57.5 F6 N4.5 P5 Rh
Calculated formula	C57 H57.5 F6 N4.5 P5 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	16.0883 ± 0.0004 Å
b	17.7264 ± 0.0005 Å
c	18.4436 ± 0.0005 Å
α	90°
β	98.328 ± 0.001°
γ	90°
Cell volume	5204.4 ± 0.2 Å³
Cell temperature	100 K
Ambient diffraction temperature	100 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	0.0402
Residual factor for significantly intense reflections	0.0396
Weighted residual factors for significantly intense reflections	0.1031
Weighted residual factors for all reflections included in the refinement	0.1037
Goodness-of-fit parameter for all reflections included in the refinement	1.035
Diffraction radiation probe	x-ray
Diffraction radiation wavelength	1.54178 Å
Diffraction radiation type	CuKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

Version history

Revision	Date	Message	Files
176429 (current)	2016-02-13	cif/ (antanas@kurmis) Replacing _cod_chemical_formula_sum_orig tag with _cod_original_formula_sum tag in multiple entries since the replaced tag is deprecated according to the COD CIF dictionary.	4123905.cif
140021	2015-07-04	cif/ Adding structures of 4123905 via cif-deposit CGI script.	4123905.cif