Crystallography Open Database

Information card for entry 4133302

Preview

Coordinates	4133302.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C62 H68 B Cl2 F24 P2 Rh
Calculated formula	C62 H68 B Cl2 F24 P2 Rh
Title of publication	Modulation of σ-Alkane Interactions in [Rh(L<sub>2</sub>)(alkane)]<sup>+</sup> Solid-State Molecular Organometallic (SMOM) Systems by Variation of the Chelating Phosphine and Alkane: Access to η<sup>2</sup>,η<sup>2</sup>-σ-Alkane Rh(I), η<sup>1</sup>-σ-Alkane Rh(III) Complexes, and Alkane Encapsulation.
Authors of publication	Martínez-Martínez, Antonio J; Tegner, Bengt E.; McKay, Alasdair I.; Bukvic, Alexander J.; Rees, Nicholas H.; Tizzard, Graham J.; Coles, Simon J.; Warren, Mark R.; Macgregor, Stuart A.; Weller, Andrew S.
Journal of publication	Journal of the American Chemical Society
Year of publication	2018
Journal volume	140
Journal issue	44
Pages of publication	14958 - 14970
a	13.7187 ± 0.0001 Å
b	16.7165 ± 0.0001 Å
c	29.163 ± 0.0002 Å
α	90°
β	93.382 ± 0.001°
γ	90°
Cell volume	6676.26 ± 0.08 Å³
Cell temperature	150 ± 0.4 K
Ambient diffraction temperature	150 ± 0.4 K
Number of distinct elements	7
Space group number	14
Hermann-Mauguin space group symbol	P 1 21/c 1
Hall space group symbol	-P 2ybc
Residual factor for all reflections	0.04
Residual factor for significantly intense reflections	0.0372
Weighted residual factors for significantly intense reflections	0.0991
Weighted residual factors for all reflections included in the refinement	0.102
Goodness-of-fit parameter for all reflections included in the refinement	1.029
Diffraction radiation probe	x-ray
Diffraction radiation wavelength	1.54184 Å
Diffraction radiation type	CuKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

Version history

Revision	Date	Message	Files
243125 (current)	2019-11-26	cif/ Adding structures of 4133292, 4133293, 4133294, 4133295, 4133296, 4133297, 4133298, 4133299, 4133300, 4133301, 4133302, 4133303, 4133304 via cif-deposit CGI script.	4133302.cif