Crystallography Open Database

Information card for entry 4347350

Preview

Coordinates	4347350.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C43 H52 N2 Pt
Calculated formula	C43 H52 N2 Pt
SMILES	[Pt]12(=C3N(C=CN3c3c(cccc3C(C)C)C(C)C)c3c(cccc3C(C)C)C(C)C)([CH2]=[CH]1c1ccccc1)[CH2]=[CH]2c1ccccc1
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	24.785 ± 0.0009 Å
b	12.2744 ± 0.0004 Å
c	27.2533 ± 0.001 Å
α	90°
β	114.686 ± 0.001°
γ	90°
Cell volume	7533.3 ± 0.5 Å³
Cell temperature	100 K
Ambient diffraction temperature	100 K
Number of distinct elements	4
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	0.0261
Residual factor for significantly intense reflections	0.0197
Weighted residual factors for significantly intense reflections	0.0436
Weighted residual factors for all reflections included in the refinement	0.0463
Goodness-of-fit parameter for all reflections included in the refinement	1.04
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.	4347350.cif