Crystallography Open Database

Information card for entry 4347345

Preview

Coordinates	4347345.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C39 H63 N2 Pt Sn
Calculated formula	C39 H63 N2 Pt Sn
SMILES	[Pt]([Sn](C(C)(C)C)(C(C)(C)C)C(C)(C)C)=C1N(C=CN1c1c(cccc1C(C)C)C(C)C)c1c(cccc1C(C)C)C(C)C
Title of publication	Reversible Inter- and Intramolecular Carbon-Hydrogen Activation, Hydrogen Addition, and Catalysis by the Unsaturated Complex Pt(IPr)(SnBu(t)3)(H).
Authors of publication	Koppaka, Anjaneyulu; Captain, Burjor
Journal of publication	Inorganic chemistry
Year of publication	2016
Journal volume	55
Journal issue	6
Pages of publication	2679 - 2681
a	13.5336 ± 0.0006 Å
b	17.1124 ± 0.0007 Å
c	19.7007 ± 0.0008 Å
α	65.644 ± 0.0001°
β	74.784 ± 0.0001°
γ	77.263 ± 0.0001°
Cell volume	3977.9 ± 0.3 Å³
Cell temperature	100 K
Ambient diffraction temperature	100 K
Number of distinct elements	5
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.0478
Residual factor for significantly intense reflections	0.0394
Weighted residual factors for significantly intense reflections	0.1024
Weighted residual factors for all reflections included in the refinement	0.1094
Goodness-of-fit parameter for all reflections included in the refinement	1.022
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

Version history

Revision	Date	Message	Files
232280 (current)	2019-11-23	cif/ Adding structures of 4347345, 4347346, 4347347, 4347348, 4347349, 4347350 via cif-deposit CGI script.	4347345.cif