Crystallography Open Database

Information card for entry 4307909

Preview

Coordinates	4307909.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C15 H16 Cl N O Pt S
Calculated formula	C15 H16 Cl N O Pt S
SMILES	[Pt]1(c2c(C(=[NH]1)c1ccccc1)cccc2)(Cl)[S](=O)(C)C
Title of publication	First Example of the Solid-State Thermal Cyclometalation of Ligated Benzophenone Imine Giving Novel Luminescent Platinum(II) Species
Authors of publication	Yulia Yu. Scaffidi-Domianello; Alexey A. Nazarov; Matti Haukka; Markus Galanski; Bernhard K. Keppler; Jacob Schneider; Pingwu Du; Richard Eisenberg; Vadim Yu. Kukushkin
Journal of publication	Inorganic Chemistry
Year of publication	2007
Journal volume	46
Pages of publication	4469 - 4482
a	10.0666 ± 0.0003 Å
b	10.5808 ± 0.0003 Å
c	14.757 ± 0.0003 Å
α	107.833 ± 0.002°
β	95.223 ± 0.002°
γ	92.213 ± 0.001°
Cell volume	1486.4 ± 0.07 Å³
Cell temperature	120 ± 2 K
Ambient diffraction temperature	120 ± 2 K
Number of distinct elements	7
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.0462
Residual factor for significantly intense reflections	0.032
Weighted residual factors for significantly intense reflections	0.0719
Weighted residual factors for all reflections included in the refinement	0.0773
Goodness-of-fit parameter for all reflections included in the refinement	1.108
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
179117 (current)	2016-03-23	cif/4/30/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/30/79.	4307909.cif
120081	2014-07-12	Adding DOIs to range 4/30 structures.	4307909.cif
34330	2012-02-24	cif/4/ Reorganising CIF range 4 into a prefix tree.	4307909.cif
1194	2010-06-06	cif/4/ Adding data from Inorg-Chem-2007_01-13/ processing directory.	4307909.cif