Crystallography Open Database

Information card for entry 1563710

Preview

Coordinates	1563710.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C42 H27 F7 P Rh
Calculated formula	C42 H27 F7 P Rh
SMILES	[Rh]123([P](c4ccc(F)cc4)(c4ccc(F)cc4)c4ccc(F)cc4)([CH]4=[CH]1C1c5c(C4[CH]2=[CH]31)c(F)c(F)c(F)c5F)c1c(c2ccccc2)cccc1
Title of publication	(η4-Tetrafluorobenzobarrelene)-η1-((tri-4-fluorophenyl)phosphine)-η1-(2-phenylphenyl)rhodium(I): A Catalyst for the Living Polymerization of Phenylacetylenes
Authors of publication	Sheng Loong Tan, Nicholas; Nealon, Gareth L.; Moggach, Stephen A.; Lynam, Jason M.; Ogden, Mark I.; Massi, Massimiliano; Lowe, Andrew B.
Journal of publication	Macromolecules
Year of publication	2021
a	26.3019 ± 0.0003 Å
b	10.3175 ± 0.0001 Å
c	25.131 ± 0.0004 Å
α	90°
β	94.732 ± 0.001°
γ	90°
Cell volume	6796.55 ± 0.15 Å³
Cell temperature	120.01 ± 0.1 K
Ambient diffraction temperature	120.01 ± 0.1 K
Number of distinct elements	5
Space group number	15
Hermann-Mauguin space group symbol	C 1 2/c 1
Hall space group symbol	-C 2yc
Residual factor for all reflections	0.0543
Residual factor for significantly intense reflections	0.049
Weighted residual factors for significantly intense reflections	0.138
Weighted residual factors for all reflections included in the refinement	0.1489
Goodness-of-fit parameter for all reflections included in the refinement	1.26
Diffraction radiation probe	x-ray
Diffraction radiation wavelength	1.54184 Å
Diffraction radiation type	CuKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

Version history

Revision	Date	Message	Files
266705 (current)	2021-06-26	cif/ Adding structures of 1563710 via cif-deposit CGI script.	1563710.cif