Crystallography Open Database

Information card for entry 4314505

Preview

Coordinates	4314505.cif
Original paper (by DOI)	HTML

Structure parameters

Common name	[Pt(tetbutyl-2-2'-bipyridine)(C2H4)](TFPB)
Formula	C48 H31 B F24 N2 Pt
Calculated formula	C48 H31 B F24 N2 Pt
Title of publication	Dynamic NMR Study of Ethene Exchange in Cationic CNN-Type Platinum(II) Complexes#
Authors of publication	M. Rosaria Plutino; Lucia Fenech; Sergio Stoccoro; Silvia Rizzato; Carlo Castellano; Alberto Albinati
Journal of publication	Inorganic Chemistry
Year of publication	2010
Journal volume	49
Pages of publication	407 - 418
a	12.8531 ± 0.0006 Å
b	13.6874 ± 0.001 Å
c	15.3078 ± 0.0011 Å
α	81.237 ± 0.002°
β	81.386 ± 0.002°
γ	68.343 ± 0.002°
Cell volume	2460.9 ± 0.3 Å³
Cell temperature	295 ± 2 K
Ambient diffraction temperature	295 ± 2 K
Number of distinct elements	6
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.1138
Residual factor for significantly intense reflections	0.0759
Weighted residual factors for significantly intense reflections	0.2332
Weighted residual factors for all reflections included in the refinement	0.2571
Goodness-of-fit parameter for all reflections included in the refinement	1.3
Diffraction radiation wavelength	0.71069 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

Version history

Revision	Date	Message	Files
179221 (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 4/31/45.	4314505.cif
91935	2013-12-29	cod/ (saulius@koala.ibt.lt) Adding DOIs that could be assigned unambiguously to the rest of COD CIFs.	4314505.cif
34330	2012-02-24	cif/4/ Reorganising CIF range 4 into a prefix tree.	4314505.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' ) &	4314505.cif
7648	2011-02-02	../uploads/cif-deposit/cod/cif Adding structures of 4314505 via cif-deposit CGI script.	4314505.cif