Crystallography Open Database

Information card for entry 4328962

Preview

Coordinates	4328962.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C46 H40 B F14 P Pt
Calculated formula	C46 H40 B F14 P Pt
SMILES	[Pt]123([P](c4c(F)c(F)c(c(F)c4F)[B](c4c(F)c(F)c(F)c(F)c4F)(c4c(F)c(F)c(F)c(F)c4F)C)(c4c(cc(cc4C)C)C)c4c(cc(cc4C)C)C)(C)[CH]4CC[CH]1=[CH]2CC[CH]3=4
Title of publication	Ni, Pd, Pt, and Ru Complexes of Phosphine-Borate Ligands
Authors of publication	Stephanie L. Granville; Gregory C. Welch; Douglas W. Stephan
Journal of publication	Inorganic Chemistry
Year of publication	2012
Journal volume	51
Pages of publication	4711 - 4721
a	9.031 ± 0.005 Å
b	19.62 ± 0.011 Å
c	23.802 ± 0.013 Å
α	90°
β	95.685 ± 0.009°
γ	90°
Cell volume	4197 ± 4 Å³
Cell temperature	296 ± 2 K
Ambient diffraction temperature	296 ± 2 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	0.15
Residual factor for significantly intense reflections	0.0855
Weighted residual factors for significantly intense reflections	0.2001
Weighted residual factors for all reflections included in the refinement	0.2591
Goodness-of-fit parameter for all reflections included in the refinement	1.076
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

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