Crystallography Open Database

Information card for entry 4302082

4302081 << 4302082 >> 4302083

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Coordinates	4302082.cif
Original paper (by DOI)	HTML

Structure parameters

Chemical name	Platinum(II)(acetyl acetonato)(2,5-bis(2-thienyl) cyclopenteno[c]pyridinato-N,C3)
Formula	C27 H23 N O2 Pt S
Calculated formula	C27 H23 N O2 Pt S
SMILES	[Pt]12(c3c(c4[n]2cc(c2c4CCC2)c2ccc4c(c2)cccc4)scc3)OC(=CC(=[O]1)C)C
Title of publication	Synthesis of Cyclometallated Platinum Complexes with Substituted Thienylpyridines and Detailed Characterization of Their Luminescence Properties
Authors of publication	Dmitry N Kozhevnikov; Valery Kozhevnikov; Maria M. Ustinova; Amedeo Santoro; Duncan W. Bruce; Burkhard König; Rafal Czerwieniec; Tobias Fischer; Manfred Zabel; Hartmut Yersin
Journal of publication	Inorganic Chemistry
Year of publication	2009
Journal volume	48
Pages of publication	4179 - 4189
a	12.3039 ± 0.0004 Å
b	7.7755 ± 0.0004 Å
c	23.7483 ± 0.0009 Å
α	90°
β	104.809 ± 0.003°
γ	90°
Cell volume	2196.51 ± 0.16 Å³
Cell temperature	123 K
Ambient diffraction temperature	123 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	0.0306
Residual factor for significantly intense reflections	0.03
Weighted residual factors for significantly intense reflections	0.0808
Weighted residual factors for all reflections included in the refinement	0.0814
Goodness-of-fit parameter for all reflections included in the refinement	1.106
Diffraction radiation probe	x-ray
Diffraction radiation wavelength	1.54184 Å
Diffraction radiation type	CuKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

Version history

Revision	Date	Message	Files
179058 (current)	2016-03-22	cif/4/30/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/30/20.	4302082.cif
120081	2014-07-12	Adding DOIs to range 4/30 structures.	4302082.cif
34330	2012-02-24	cif/4/ Reorganising CIF range 4 into a prefix tree.	4302082.cif
5312	2011-01-03	cif/ Adding files, updated with the 'cif_fix_enum' program and the cif_core.dic dictionary. The enumerator values were fixed, mostly incorrect case, but also some values that had extra underscores, dashes or spaces. Unfortunately, 22 had non-ASCII characters with the 8-th bit set, and these got incorrectly interpreted as latin1 characters and converted to their UTF8 equivalents by Perl. To fix the structures, however, they need to be redeposited from the original files with the new CIFParser/cif_filter version.	4302082.cif
1054	2010-03-28	cif/4/ Adding data extracted in Inorg-Chem-2009_01-10/ processing.	4302082.cif