Crystallography Open Database

Information card for entry 7127502

Preview

Coordinates	7127502.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C31 H53 Bi Cl3 N P2 Pt
Calculated formula	C31 H53 Bi Cl3 N P2 Pt
SMILES	[Bi]12([Pt]([P](CC)(CC)CC)([P](CC)(CC)CC)c3c(C[N]1(Cc1c2cccc1)C(C)(C)C)cccc3)Cl.ClCCl
Title of publication	Oxidative addition of Bi-C bonds to Pt(0): reaction of Pt(PEt<sub>3</sub>)<sub>3</sub> with cyclic organobismuth compounds.
Authors of publication	Shimada, Shigeru; Wang, Xiang-Bo; Tanaka, Masato
Journal of publication	Chemical communications (Cambridge, England)
Year of publication	2020
Journal volume	56
Journal issue	96
Pages of publication	15216 - 15219
a	12.8505 ± 0.0004 Å
b	13.1916 ± 0.0004 Å
c	21.3892 ± 0.0007 Å
α	90°
β	94.966 ± 0.0004°
γ	90°
Cell volume	3612.3 ± 0.2 Å³
Cell temperature	153 ± 2 K
Ambient diffraction temperature	153 ± 2 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	0.0233
Residual factor for significantly intense reflections	0.0197
Weighted residual factors for significantly intense reflections	0.0406
Weighted residual factors for all reflections included in the refinement	0.0416
Goodness-of-fit parameter for all reflections included in the refinement	1.064
Diffraction radiation wavelength	0.71069 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

Version history

Revision	Date	Message	Files
259664 (current)	2020-12-09	cif/ Adding structures of 7127500, 7127501, 7127502 via cif-deposit CGI script.	7127502.cif