Crystallography Open Database

Information card for entry 1556092

Preview

Coordinates	1556092.cif
Original paper (by DOI)	HTML

Structure parameters

Common name	eispd06
Formula	C23 H16 Cl N3 O4 Pt
Calculated formula	C23 H16 Cl N3 O4 Pt
SMILES	[Pt]12([n]3ccccc3c3cccc([n]13)c1cccc[n]21)C#Cc1ccccc1.Cl(=O)(=O)(=O)[O-]
Title of publication	Photoinduced electron transfer in platinum(II) terpyridyl acetylide chromophores: reductive and oxidative quenching and hydrogen production.
Authors of publication	Du, Pingwu; Schneider, Jacob; Jarosz, Paul; Zhang, Jie; Brennessel, William W.; Eisenberg, Richard
Journal of publication	The journal of physical chemistry. B
Year of publication	2007
Journal volume	111
Journal issue	24
Pages of publication	6887 - 6894
a	9.0288 ± 0.0007 Å
b	17.5533 ± 0.0013 Å
c	12.8039 ± 0.001 Å
α	90°
β	102.095 ± 0.001°
γ	90°
Cell volume	1984.2 ± 0.3 Å³
Cell temperature	100 ± 0.1 K
Ambient diffraction temperature	100 ± 0.1 K
Number of distinct elements	6
Space group number	14
Hermann-Mauguin space group symbol	P 1 21/c 1
Hall space group symbol	-P 2ybc
Residual factor for all reflections	0.02
Residual factor for significantly intense reflections	0.0173
Weighted residual factors for significantly intense reflections	0.0378
Weighted residual factors for all reflections included in the refinement	0.0386
Goodness-of-fit parameter for all reflections included in the refinement	1.044
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
243452 (current)	2019-11-26	cif/ Adding structures of 1556092 via cif-deposit CGI script.	1556092.cif