Crystallography Open Database

Information card for entry 4119435

4119434 << 4119435 >> 4119436

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Coordinates	4119435.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C45 H69 F6 P Sb
Calculated formula	C45 H69 F6 P Sb
SMILES	c1(c(cc(C(C)C)cc1C(C)C)C(C)C)[P+](c1c(cc(cc1C(C)C)C(C)C)C(C)C)c1c(cc(cc1C(C)C)C(C)C)C(C)C.[F-][Sb](F)(F)(F)(F)F
Title of publication	Isolation and X-ray Crystal Structures of Triarylphosphine Radical Cations
Authors of publication	Xiaobo Pan; Xiaoyu Chen; Tao Li; Yizhi Li; Xinping Wang
Journal of publication	Journal of the American Chemical Society
Year of publication	2013
Journal volume	135
Pages of publication	3414 - 3417
a	13.1739 ± 0.0012 Å
b	13.1739 ± 0.0012 Å
c	23.54 ± 0.002 Å
α	90°
β	90°
γ	120°
Cell volume	3538.1 ± 0.5 Å³
Cell temperature	123 ± 2 K
Ambient diffraction temperature	123 ± 2 K
Number of distinct elements	5
Space group number	146
Hermann-Mauguin space group symbol	R 3 :H
Hall space group symbol	R 3
Residual factor for all reflections	0.0541
Residual factor for significantly intense reflections	0.0498
Weighted residual factors for significantly intense reflections	0.1208
Weighted residual factors for all reflections included in the refinement	0.1221
Goodness-of-fit parameter for all reflections included in the refinement	1.078
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

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