Crystallography Open Database

Information card for entry 4083510

Preview

Coordinates	4083510.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C18 H20 N4 Pt
Calculated formula	C18 H20 N4 Pt
SMILES	[Pt]12(C(n3ccc4ccc[n]1c34)n1ccc3ccc[n]2c13)(C)(C)C
Title of publication	Steric Impact of Neutral N,N-Chelates on the Structure and Stability of Five-Coordinate Platinum(IV) Complexes:fac-PtIVMe3Complexes of BAB and BAM
Authors of publication	Zhao, Shu-Bin; Wu, Gang; Wang, Suning
Journal of publication	Organometallics
Year of publication	2008
Journal volume	27
Journal issue	6
Pages of publication	1030
a	8.092 ± 0.005 Å
b	20.908 ± 0.013 Å
c	10.379 ± 0.007 Å
α	90°
β	98.975 ± 0.007°
γ	90°
Cell volume	1734.5 ± 1.9 Å³
Cell temperature	180 ± 2 K
Ambient diffraction temperature	180 ± 2 K
Number of distinct elements	4
Space group number	4
Hermann-Mauguin space group symbol	P 1 21 1
Hall space group symbol	P 2yb
Residual factor for all reflections	0.0177
Residual factor for significantly intense reflections	0.0165
Weighted residual factors for significantly intense reflections	0.036
Weighted residual factors for all reflections included in the refinement	0.0364
Goodness-of-fit parameter for all reflections included in the refinement	0.951
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
178724 (current)	2016-03-21	cif/4/08/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/08/35.	4083510.cif
115514	2014-06-03	cif/ Adding structures of 4083510 via cif-deposit CGI script.	4083510.cif