Crystallography Open Database

Information card for entry 4123899

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Coordinates	4123899.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C56 H81 N4 P4 Rh
Calculated formula	C56 H81 N4 P4 Rh
SMILES	[RhH]12([P]3(CN(C[P]1(CN(C3)c1ccccc1)C1CCCCC1)c1ccccc1)C1CCCCC1)[P]1(CN(C[P]2(CN(C1)c1ccccc1)C1CCCCC1)c1ccccc1)C1CCCCC1
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	22.764 ± 0.0007 Å
b	22.764 ± 0.0007 Å
c	20.1397 ± 0.0005 Å
α	90°
β	90°
γ	90°
Cell volume	10436.4 ± 0.5 Å³
Cell temperature	100 K
Ambient diffraction temperature	100 K
Number of distinct elements	5
Space group number	82
Hermann-Mauguin space group symbol	I -4
Hall space group symbol	I -4
Residual factor for all reflections	0.0573
Residual factor for significantly intense reflections	0.0446
Weighted residual factors for significantly intense reflections	0.0972
Weighted residual factors for all reflections included in the refinement	0.1035
Goodness-of-fit parameter for all reflections included in the refinement	1.063
Diffraction radiation probe	x-ray
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

Version history

Revision	Date	Message	Files
140014 (current)	2015-07-04	cif/ Adding structures of 4123899 via cif-deposit CGI script.	4123899.cif