Crystallography Open Database

Information card for entry 4511030

Preview

Coordinates	4511030.cif
Original paper (by DOI)	HTML

Structure parameters

Common name	PtCl2(ATQACH2NH2)
Formula	C10 H18 Cl2 N2 Pt
Calculated formula	C10 H18 Cl2 N2 Pt
SMILES	[Pt]1(Cl)(Cl)[N]23C4(CC[C@@H]2CC[C@@H]3CC4)C[NH2]1
Title of publication	Crystal Packing in Planar Platinum(II) and Palladium(II) Complexes. Hydrogen-Bond-Mediated Supramolecular Assembly of Ten Wedge-Shaped Molecules into a Cyclic Array
Authors of publication	Gussenhoven, Emily M.; Jevric, Martyn; Olmstead, Marilyn M.; Fettinger, James C.; Mascal, Mark; Balch, Alan L.
Journal of publication	Crystal Growth & Design
Year of publication	2009
Journal volume	9
Journal issue	4
Pages of publication	1786
a	19.524 ± 0.003 Å
b	7.5482 ± 0.0012 Å
c	7.9651 ± 0.0013 Å
α	90°
β	90°
γ	90°
Cell volume	1173.8 ± 0.3 Å³
Cell temperature	90 ± 2 K
Ambient diffraction temperature	90 ± 2 K
Number of distinct elements	5
Space group number	33
Hermann-Mauguin space group symbol	P n a 21
Hall space group symbol	P 2c -2n
Residual factor for all reflections	0.0355
Residual factor for significantly intense reflections	0.0275
Weighted residual factors for significantly intense reflections	0.0655
Weighted residual factors for all reflections included in the refinement	0.0687
Goodness-of-fit parameter for all reflections included in the refinement	1.069
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
179657 (current)	2016-03-24	cif/4/51/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/51/10.	4511030.cif
114673	2014-05-29	cif/ Adding structures of 4511030 via cif-deposit CGI script.	4511030.cif