Crystallography Open Database

Information card for entry 4067356

Preview

Coordinates	4067356.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C9 H10 Cl2 N4 O Pt
Calculated formula	C9 H10 Cl2 N4 O Pt
SMILES	[Pt]1([n]2c(C3=[N]1C=CC(O)N3C)nccc2)(Cl)Cl
Title of publication	Platinum(II) Complexes Containing Quaternized Nitrogen Ligands: Synthesis, Stability, and Evaluation as Catalysts for Methane and Benzene H/D Exchange
Authors of publication	Villalobos, Janette M.; Hickman, Amanda J.; Sanford, Melanie S.
Journal of publication	Organometallics
Year of publication	2010
Journal volume	29
Journal issue	1
Pages of publication	257
a	7.2406 ± 0.0006 Å
b	11.0864 ± 0.001 Å
c	14.6956 ± 0.0013 Å
α	90°
β	101.523 ± 0.001°
γ	90°
Cell volume	1155.87 ± 0.17 Å³
Cell temperature	85 ± 2 K
Ambient diffraction temperature	85 ± 2 K
Number of distinct elements	6
Space group number	14
Hermann-Mauguin space group symbol	P 1 21/n 1
Hall space group symbol	-P 2yn
Residual factor for all reflections	0.0253
Residual factor for significantly intense reflections	0.021
Weighted residual factors for significantly intense reflections	0.0501
Weighted residual factors for all reflections included in the refinement	0.0519
Goodness-of-fit parameter for all reflections included in the refinement	1.076
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
178564 (current)	2016-03-21	cif/4/06/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/06/73.	4067356.cif
91935	2013-12-29	cod/ (saulius@koala.ibt.lt) Adding DOIs that could be assigned unambiguously to the rest of COD CIFs.	4067356.cif
34330	2012-02-24	cif/4/ Reorganising CIF range 4 into a prefix tree.	4067356.cif
34170	2012-02-13	../uploads/cif-deposit/cod/cif Adding structures of 4067356 via cif-deposit CGI script.	4067356.cif