Crystallography Open Database

Information card for entry 7000795

Preview

Coordinates	7000795.cif
Original paper (by DOI)	HTML

Structure parameters

Common name	Compound X
Formula	C55 H34 Cl2 N6 Pt2 Tl2
Calculated formula	C55 H34 Cl2 N6 Pt2 Tl2
Title of publication	Extended structures containing Pt(ii)‒Tl(i) bonds. Effect of these interactions on the luminescence of cyclometalated Pt(ii) compounds
Authors of publication	Forniés, Juan; Fuertes, Sara; Martín, Antonio; Sicilia, Violeta; Gil, Belén; Lalinde, Elena
Journal of publication	Dalton Transactions
Year of publication	2009
Journal issue	12
Pages of publication	2224 - 2234
a	22.103 ± 0.0011 Å
b	8.667 ± 0.0005 Å
c	24.301 ± 0.0014 Å
α	90°
β	90°
γ	90°
Cell volume	4655.3 ± 0.4 Å³
Cell temperature	173 ± 2 K
Ambient diffraction temperature	173 ± 2 K
Number of distinct elements	6
Space group number	60
Hermann-Mauguin space group symbol	P b c n
Hall space group symbol	-P 2n 2ab
Residual factor for all reflections	0.1362
Residual factor for significantly intense reflections	0.0707
Weighted residual factors for significantly intense reflections	0.149
Weighted residual factors for all reflections included in the refinement	0.1749
Goodness-of-fit parameter for all reflections included in the refinement	1.09
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
179685 (current)	2016-03-24	cif/7/00/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 7/00/07.	7000795.cif
120443	2014-07-15	Adding 17924 DOIs guessed from source file names.	7000795.cif
35909	2012-02-26	cif/7/: reorganising range 7 into a prefix-directory tree.	7000795.cif
1143	2010-05-03	cif/7/ Adding CIFs from Dalton-Trans-2009/ deposition.	7000795.cif