Crystallography Open Database

Information card for entry 1512884

Preview

Coordinates	1512884.cif
Original paper (by DOI)	HTML

Structure parameters

Chemical name	Chloro-diethylamine-(N,N-diethylcarbamoyl)-triphenylphosphine-platinum(ii)
Formula	C27 H36 Cl N2 O P Pt
Calculated formula	C27 H36 Cl N2 O P Pt
SMILES	[Pt](Cl)([P](c1ccccc1)(c1ccccc1)c1ccccc1)(C(=O)N(CC)CC)[NH](CC)CC
Title of publication	Platinum(II) complexes containing unsaturated ligands. Nucleophilic substitution versus nucleophilic attack to ligand: a stereochemistry driven outcome
Authors of publication	Daniela Belli Dell Amico; Claudio Broglia; Luca Labella; Fabio Marchetti; Daniele Mendola; Simona Samaritani
Journal of publication	Inorganica Chimica Acta
Year of publication	2013
Journal volume	395
Pages of publication	181 - 188
a	16.6781 ± 0.0005 Å
b	12.3373 ± 0.0004 Å
c	14.9107 ± 0.0005 Å
α	90°
β	114.104 ± 0.001°
γ	90°
Cell volume	2800.55 ± 0.16 Å³
Cell temperature	296 ± 2 K
Ambient diffraction temperature	296 ± 2 K
Number of distinct elements	7
Space group number	9
Hermann-Mauguin space group symbol	C 1 c 1
Hall space group symbol	C -2yc
Residual factor for all reflections	0.0229
Residual factor for significantly intense reflections	0.0189
Weighted residual factors for significantly intense reflections	0.0379
Weighted residual factors for all reflections included in the refinement	0.039
Goodness-of-fit parameter for all reflections included in the refinement	0.988
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
176729 (current)	2016-02-18	cif/ (antanas@echidna.ibt.lt) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in range 1.	1512884.cif
120071	2014-07-11	Adding DOIs to range 1 structures.	1512884.cif
91045	2013-12-03	cif/ Adding structures of 1512884 via cif-deposit CGI script.	1512884.cif