Crystallography Open Database

Information card for entry 4084597

Preview

Coordinates	4084597.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C22 H26 Cl2 Hg N4 Pt
Calculated formula	C22 H26 Cl2 Hg N4 Pt
SMILES	[Pt]1([Hg]Cl)(Cl)([n]2ccccc2c2[n]1nc(c1c2CCCCCC1)c1ncccc1)(C)C
Title of publication	The Platinum Center is a Stronger Nucleophile than the Free Nitrogen Donors in a Dimethylplatinum Complex with a Dipyridylpyridazine Ligand
Authors of publication	McCready, Matthew S.; Puddephatt, Richard J.
Journal of publication	Organometallics
Year of publication	2015
Journal volume	34
Journal issue	11
Pages of publication	2261
a	9.721 ± 0.0019 Å
b	10.796 ± 0.002 Å
c	15.581 ± 0.003 Å
α	87.53 ± 0.03°
β	72.28 ± 0.03°
γ	81.62 ± 0.03°
Cell volume	1541 ± 0.6 Å³
Cell temperature	423 ± 2 K
Ambient diffraction temperature	423 ± 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	0.0736
Residual factor for significantly intense reflections	0.0488
Weighted residual factors for significantly intense reflections	0.1657
Weighted residual factors for all reflections included in the refinement	0.1798
Goodness-of-fit parameter for all reflections included in the refinement	1.117
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
178734 (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 4/08/45.	4084597.cif
140242	2015-07-05	cif/ Updating files of 4084597, 4084598, 4084599, 4084600, 4084601, 4084602 Original log message: Adding full bibliography for 4084597--4084602.cif.	4084597.cif
126100	2014-10-31	cif/ Adding structures of 4084597, 4084598, 4084599, 4084600, 4084601, 4084602 via cif-deposit CGI script.	4084597.cif