Crystallography Open Database

Information card for entry 4300810

Preview

Coordinates	4300810.cif
Original paper (by DOI)	HTML

Structure parameters

Common name	[Ph3PCH2Ph][PtCl5{NHC(Et)ON(CH2Ph)2}]
Formula	C42 H42 Cl5 N2 O P Pt
Calculated formula	C42 H42 Cl5 N2 O P Pt
SMILES	[Pt](Cl)(Cl)(Cl)(Cl)(Cl)[NH]=C(ON(Cc1ccccc1)Cc1ccccc1)CC.[P+](Cc1ccccc1)(c1ccccc1)(c1ccccc1)c1ccccc1
Title of publication	Kinetic and Mechanistic Study of the Pt(II) versus Pt(IV) Effect in the Platinum-Mediated Nitrile‒Hydroxylamine Coupling
Authors of publication	Luzyanin, Konstantin V.; Kukushkin, Vadim Yu.; Ryabov, Alexander D.; Haukka, Matti; Pombeiro, Armando J. L.
Journal of publication	Inorganic Chemistry
Year of publication	2005
Journal volume	44
Journal issue	8
Pages of publication	2944 - 2953
a	10.0914 ± 0.0007 Å
b	19.504 ± 0.002 Å
c	42.279 ± 0.005 Å
α	90°
β	90°
γ	90°
Cell volume	8321.5 ± 1.4 Å³
Cell temperature	150 ± 2 K
Ambient diffraction temperature	150 ± 2 K
Number of distinct elements	7
Space group number	61
Hermann-Mauguin space group symbol	P b c a
Hall space group symbol	-P 2ac 2ab
Residual factor for all reflections	0.1187
Residual factor for significantly intense reflections	0.057
Weighted residual factors for significantly intense reflections	0.1107
Weighted residual factors for all reflections included in the refinement	0.1339
Goodness-of-fit parameter for all reflections included in the refinement	1.049
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

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