Crystallography Open Database

Information card for entry 4316396

Preview

Coordinates	4316396.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C29 H42 F2 N4 Pt
Calculated formula	C29 H42 F2 N4 Pt
SMILES	[N+](CCCC)(CCCC)(CCCC)CCCC.[Pt]1(c2cc(F)cc(F)c2c2[n]1cccc2)(C#N)C#N
Title of publication	Bright Sky-Blue Phosphorescence of [n-Bu4N][Pt(4,6-dFppy)(CN)2]: Synthesis, Crystal Structure, and Detailed Photophysical Studies
Authors of publication	Andreas F. Rausch; Uwe V. Monkowius; Manfred Zabel; Hartmut Yersin
Journal of publication	Inorganic Chemistry
Year of publication	2010
Journal volume	49
Pages of publication	7818 - 7825
a	19.6771 ± 0.0017 Å
b	8.1679 ± 0.0005 Å
c	18.4252 ± 0.0012 Å
α	90°
β	90°
γ	90°
Cell volume	2961.3 ± 0.4 Å³
Cell temperature	123 K
Ambient diffraction temperature	123 ± 1 K
Number of distinct elements	5
Space group number	33
Hermann-Mauguin space group symbol	P n a 21
Hall space group symbol	P 2c -2n
Residual factor for all reflections	0.0192
Residual factor for significantly intense reflections	0.0164
Weighted residual factors for significantly intense reflections	0.0386
Weighted residual factors for all reflections included in the refinement	0.0392
Goodness-of-fit parameter for all reflections included in the refinement	1.015
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
179243 (current)	2016-03-23	cif/4/31/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/31/63.	4316396.cif
91935	2013-12-29	cod/ (saulius@koala.ibt.lt) Adding DOIs that could be assigned unambiguously to the rest of COD CIFs.	4316396.cif
34330	2012-02-24	cif/4/ Reorganising CIF range 4 into a prefix tree.	4316396.cif
17004	2011-03-31	cif/ Commiting CIFs, that were updated with the 'cif_fix_values' script, using options '--fix-misspelled replacement_values.lst', '--fix-temperature' and '--fix-enums' with built-in table of enum values. The following cmd was used: > (set -x; find ? -name \*.cif \| sort \| xargs -i sh -c 'if !( > cif_fix_values --fix-misspelled ~/../inputs/replacament_values.lst {} \| > cif_filter --add-cif-header {} \| > sponge {} ) 2>&1 \| grep NOTE; then svn revert {}; > fi' ) &	4316396.cif
9592	2011-02-10	../uploads/cif-deposit/cod/cif Adding structures of 4316396 via cif-deposit CGI script.	4316396.cif