Crystallography Open Database

Information card for entry 4077535

Preview

Coordinates	4077535.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C18 H28 Cl2 N4 O Pt
Calculated formula	C18 H28 Cl2 N4 O Pt
SMILES	[Pt]12([n]3ccccc3C=[N]1CCC[NH2+]C2c1ccccn1)(C)(C)Cl.[Cl-].CO
Title of publication	Activation of Imines by Platinum(II) To Give Aminoalkyl Complexes: Scope and Limitations of the Reaction
Authors of publication	Baar, Cliff R.; Jennings, Michael C.; Vittal, Jagadese J.; Puddephatt, Richard J.
Journal of publication	Organometallics
Year of publication	2000
Journal volume	19
Journal issue	20
Pages of publication	4150
a	9.0613 ± 0.0003 Å
b	21.64 ± 0.001 Å
c	11.0531 ± 0.0005 Å
α	90°
β	98.409 ± 0.003°
γ	90°
Cell volume	2144.06 ± 0.16 Å³
Cell temperature	150 ± 2 K
Ambient diffraction temperature	150 ± 2 K
Number of distinct elements	6
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	0.0505
Residual factor for significantly intense reflections	0.038
Weighted residual factors for significantly intense reflections	0.093
Weighted residual factors for all reflections included in the refinement	0.1012
Goodness-of-fit parameter for all reflections included in the refinement	1.072
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
178664 (current)	2016-03-21	cif/4/07/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/07/75.	4077535.cif
91935	2013-12-29	cod/ (saulius@koala.ibt.lt) Adding DOIs that could be assigned unambiguously to the rest of COD CIFs.	4077535.cif
54615	2012-04-28	cif/ Adding structures of 4077532, 4077533, 4077534, 4077535 via cif-deposit CGI script.	4077535.cif