Crystallography Open Database

Information card for entry 7114749

Preview

Coordinates	7114749.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C12 H14 Cl4 N4 O2 Pt
Calculated formula	C12 H14 Cl4 N4 O2 Pt
SMILES	c1cc(cc[nH+]1)C(=O)N.Cl[Pt](Cl)([Cl-])[Cl-].c1cc(cc[nH+]1)C(=O)N
Title of publication	Control of hydrogen bond network dimensionality in tetrachloroplatinate salts
Authors of publication	Angeloni, Alessandro; Orpen, A. Guy
Journal of publication	Chemical Communications
Year of publication	2001
Journal issue	4
Pages of publication	343
a	6.8888 ± 0.0013 Å
b	7.7068 ± 0.0018 Å
c	8.2032 ± 0.0015 Å
α	88.779 ± 0.015°
β	72.911 ± 0.019°
γ	89.466 ± 0.019°
Cell volume	416.19 ± 0.15 Å³
Cell temperature	173 ± 2 K
Ambient diffraction temperature	173 ± 2 K
Number of distinct elements	6
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.0179
Residual factor for significantly intense reflections	0.0179
Weighted residual factors for significantly intense reflections	0.0472
Weighted residual factors for all reflections included in the refinement	0.0472
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

Version history

Revision	Date	Message	Files
180261 (current)	2016-03-26	cif/7/11/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 7/11/47.	7114749.cif
118321	2014-06-29	cif/ Adding structures of 7114746, 7114747, 7114748, 7114749 via cif-deposit CGI script.	7114749.cif