Crystallography Open Database

Information card for entry 4305930

Preview

Coordinates	4305930.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C34 H38 Cl2 N2 O Pt
Calculated formula	C34 H38 Cl2 N2 O Pt
SMILES	[Pt]1([N](=C2C(=[N]1c1c(cc(cc1C)C)C)c1cccc3cccc2c13)c1c(cc(cc1C)C)C)(Cl)Cl.CCOCC
Title of publication	Photophysical Properties of Platinum(II)-Acetylide Complexes: the Effect of a Strongly Electron-Accepting Diimine Ligand on Excited-State Structure
Authors of publication	Christopher J. Adams; Natalie Fey; Zoë A. Harrison; Igor V. Sazanovich; Michael Towrie; Julia A. Weinstein
Journal of publication	Inorganic Chemistry
Year of publication	2008
Journal volume	47
Pages of publication	8242 - 8257
a	16.656 ± 0.0002 Å
b	16.8528 ± 0.0002 Å
c	23.1881 ± 0.0003 Å
α	90°
β	90°
γ	90°
Cell volume	6508.91 ± 0.14 Å³
Cell temperature	100 ± 2 K
Ambient diffraction temperature	100 ± 2 K
Number of distinct elements	6
Space group number	61
Hermann-Mauguin space group symbol	P b c a
Hall space group symbol	-P 2ac 2ab
Residual factor for all reflections	0.0756
Residual factor for significantly intense reflections	0.0424
Weighted residual factors for significantly intense reflections	0.0837
Weighted residual factors for all reflections included in the refinement	0.0997
Goodness-of-fit parameter for all reflections included in the refinement	1.131
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
176467 (current)	2016-02-16	cif/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in range 4.	4305930.cif
120081	2014-07-12	Adding DOIs to range 4/30 structures.	4305930.cif
34330	2012-02-24	cif/4/ Reorganising CIF range 4 into a prefix tree.	4305930.cif
1167	2010-05-13	cif/ Adding data from the rest of 2009 RSC journals, Inorg-Chem-2008 and Chem-Comm-2010_18-19.	4305930.cif