Crystallography Open Database

Information card for entry 4308717

Preview

Coordinates	4308717.cif
Original paper (by DOI)	HTML

Structure parameters

Common name	[Pt(Me)(dmphen)(PCy3)](TFPB)
Formula	C56 H48 B F24 N2 P Pt
Calculated formula	C65 H57 B F24 N2 P Pt
Title of publication	Structural Properties and Dissociative Fluxional Motion of 2,9-Dimethyl-1,10-Phenanthroline in Platinum(II) Complexes
Authors of publication	Raffaello Romeo; Salvatore Carnabuci; Maria Rosaria Plutino; Andrea Romeo; Silvia Rizzato; Alberto Albinati
Journal of publication	Inorganic Chemistry
Year of publication	2005
Journal volume	44
Pages of publication	1248 - 1262
a	39.5675 ± 0.0016 Å
b	17.7672 ± 0.0018 Å
c	19.237 ± 0.004 Å
α	90 ± 0.002°
β	90 ± 0.002°
γ	90 ± 0.002°
Cell volume	13524 ± 3 Å³
Cell temperature	293 ± 2 K
Ambient diffraction temperature	293 ± 2 K
Number of distinct elements	7
Space group number	41
Hermann-Mauguin space group symbol	A b a 2
Hall space group symbol	A 2 -2ab
Residual factor for all reflections	0.0805
Residual factor for significantly intense reflections	0.0465
Weighted residual factors for significantly intense reflections	0.1048
Weighted residual factors for all reflections included in the refinement	0.1212
Goodness-of-fit parameter for all reflections included in the refinement	0.994
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
179125 (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 4/30/87.	4308717.cif
129439	2015-01-07	cod/ (robertas@burundukas) Correcting values of _exptl_crystal_density_meas and _exptl_crystal_density_method data items: codsql "select codid from validation where message like '%\\'_exptl_crystal_density_meas\\' value \"not measured\" is %'" -NB \ \| codid2file \ \| xargs perl -i -pe "s/_exptl_crystal_density_meas\\s+'not +measured'/_exptl_crystal_density_meas ?/i; \ s/_exptl_crystal_density_method\\s+('not +measured'\|\\?\|none)/_exptl_crystal_density_method ./i"	4308717.cif
120081	2014-07-11	Adding DOIs to range 4/30 structures.	4308717.cif
34330	2012-02-24	cif/4/ Reorganising CIF range 4 into a prefix tree.	4308717.cif
31985	2012-01-04	cif/ Canging data item '_diffrn_standards_decay_% none' to '_diffrn_standards_decay_% 0'.	4308717.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' ) &	4308717.cif
1526	2010-09-26	cif/4/ Adding new CIFs from Inorg. Chem. 2005 deposited via Web deposition site to the COD test database (and transferede to the main COD database after renaming).	4308717.cif