Crystallography Open Database

Information card for entry 7200399

7200398 << 7200399 >> 7200400

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Coordinates	7200399.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C27 H27 N O2 Pt
Calculated formula	C27 H27 N O2 Pt
SMILES	CC1=CC(=[O][Pt]2(O1)c1c(c3cccc[n]23)cc2c(c1)c1ccccc1C2(CC)CC)C
Title of publication	A versatile color tuning strategy for iridium(III) and platinum(II) electrophosphors by shifting the charge-transfer states with an electron-deficient core
Authors of publication	Zhou, Gui-Jiang; Wang, Qi; Wong, Wai-Yeung; Ma, Dongge; Wang, Lixiang; Lin, Zhenyang
Journal of publication	Journal of Materials Chemistry
Year of publication	2009
Journal volume	19
Journal issue	13
Pages of publication	1872
a	8.1679 ± 0.0005 Å
b	26.7111 ± 0.0015 Å
c	10.9458 ± 0.0006 Å
α	90°
β	107.251 ± 0.001°
γ	90°
Cell volume	2280.7 ± 0.2 Å³
Cell temperature	293 ± 2 K
Ambient diffraction temperature	293 ± 2 K
Number of distinct elements	5
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	0.0309
Residual factor for significantly intense reflections	0.0272
Weighted residual factors for significantly intense reflections	0.0616
Weighted residual factors for all reflections included in the refinement	0.0628
Goodness-of-fit parameter for all reflections included in the refinement	1.176
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
180334 (current)	2016-03-26	cif/7/20/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 7/20/03.	7200399.cif
120112	2014-07-12	Adding DOIs to range 7 structures.	7200399.cif
35909	2012-02-26	cif/7/: reorganising range 7 into a prefix-directory tree.	7200399.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.	7200399.cif
1167	2010-05-13	cif/ Adding data from the rest of 2009 RSC journals, Inorg-Chem-2008 and Chem-Comm-2010_18-19.	7200399.cif