Crystallography Open Database

Information card for entry 4305929

Preview

Coordinates	4305929.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C48 H42 N2 Pt
Calculated formula	C48 H42 N2 Pt
SMILES	[Pt]1([N](=C2C(=[N]1c1c(C)cc(C)cc1C)c1cccc3cccc2c13)c1c(C)cc(C)cc1C)(C#Cc1ccc(C)cc1)C#Cc1ccc(C)cc1
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	11.6618 ± 0.0001 Å
b	14.5179 ± 0.0002 Å
c	22.3442 ± 0.0003 Å
α	90°
β	90°
γ	90°
Cell volume	3782.98 ± 0.08 Å³
Cell temperature	173 ± 2 K
Ambient diffraction temperature	100 ± 2 K
Number of distinct elements	4
Space group number	19
Hermann-Mauguin space group symbol	P 21 21 21
Hall space group symbol	P 2ac 2ab
Residual factor for all reflections	0.0399
Residual factor for significantly intense reflections	0.0265
Weighted residual factors for significantly intense reflections	0.0418
Weighted residual factors for all reflections included in the refinement	0.0435
Goodness-of-fit parameter for all reflections included in the refinement	0.915
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.	4305929.cif
120081	2014-07-12	Adding DOIs to range 4/30 structures.	4305929.cif
34330	2012-02-24	cif/4/ Reorganising CIF range 4 into a prefix tree.	4305929.cif
1167	2010-05-13	cif/ Adding data from the rest of 2009 RSC journals, Inorg-Chem-2008 and Chem-Comm-2010_18-19.	4305929.cif