Crystallography Open Database

Information card for entry 4070766

Preview

Coordinates	4070766.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C27 H22 N2 Pt
Calculated formula	C27 H22 N2 Pt
SMILES	c12c(cccc2)Cc2c([Pt]31[n]1c(C)ccc4c1c1[n]3c(C)ccc1cc4)cccc2
Title of publication	9,10-Dihydroplatinaanthracenes with Aromatic Diimine Ligands: Syntheses and Spectroscopic and Computational Studies of New Luminescent Materials
Authors of publication	De Crisci, Antonio G.; Lough, Alan J.; Multani, Kanwarpal; Fekl, Ulrich
Journal of publication	Organometallics
Year of publication	2008
Journal volume	27
Journal issue	8
Pages of publication	1765
a	19.8057 ± 0.0002 Å
b	18.9645 ± 0.0007 Å
c	5.3313 ± 0.0004 Å
α	90°
β	90°
γ	90°
Cell volume	2002.46 ± 0.17 Å³
Cell temperature	150 ± 1 K
Ambient diffraction temperature	150 ± 2 K
Number of distinct elements	4
Space group number	62
Hermann-Mauguin space group symbol	P n m a
Hall space group symbol	-P 2ac 2n
Residual factor for all reflections	0.0594
Residual factor for significantly intense reflections	0.0357
Weighted residual factors for significantly intense reflections	0.0759
Weighted residual factors for all reflections included in the refinement	0.0855
Goodness-of-fit parameter for all reflections included in the refinement	1.073
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
178596 (current)	2016-03-21	cif/4/07/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/07/07.	4070766.cif
120075	2014-07-11	Adding DOIs to range 4/07 structures.	4070766.cif
47256	2012-03-23	cif/4/ Distributing the new range 4 CIFs into their appropriate prefixed subdirectories.	4070766.cif
42681	2012-03-13	../uploads/cif-deposit/cod/cif Adding structures of 4070766 via cif-deposit CGI script.	4070766.cif