Crystallography Open Database

Information card for entry 4103205

Preview

Coordinates	4103205.cif
Original paper (by DOI)	HTML

Structure parameters

Common name	{[SiP(Ph)3]Pt-Cl2CH2}{BArF}
Formula	C45 H31 B0.5 Cl4 F12 P1.5 Pt0.5 Si0.5
Calculated formula	C45 H31 B0.5 Cl4 F12 P1.5 Pt0.5 Si0.5
Title of publication	Four-Coordinate, trigonal Pyramidal Pt(II) and Pd(II) Complexes
Authors of publication	Charlene Tsay; Neal P. Mankad; Jonas C. Peters
Journal of publication	Journal of the American Chemical Society
Year of publication	2010
Journal volume	132
Pages of publication	13975 - 13977
a	12.6057 ± 0.0011 Å
b	17.5913 ± 0.0016 Å
c	20.2306 ± 0.0018 Å
α	84.459 ± 0.002°
β	84.435 ± 0.002°
γ	86.795 ± 0.002°
Cell volume	4439.2 ± 0.7 Å³
Cell temperature	100 ± 2 K
Ambient diffraction temperature	100 ± 2 K
Number of distinct elements	8
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.084
Residual factor for significantly intense reflections	0.0635
Weighted residual factors for significantly intense reflections	0.16
Weighted residual factors for all reflections included in the refinement	0.1736
Goodness-of-fit parameter for all reflections included in the refinement	1.05
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

Version history

Revision	Date	Message	Files
176467 (current)	2016-02-16	cif/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in range 4.	4103205.cif
130086	2015-01-23	cod/ (robertas@burundukas) The 'cif_fix_values' program was applied to CIFs that have generated the validation messages containing tag '_exptl_crystal_density_meas'. 16946 CIFs had a values that were perceived as 'not measured' and they were changed to '?'. The total of 17089 CIFs was changed. Those that were not corrected by 'cif_fix_values' were reformatted by the parser (e.g. a doi tag was moved to another place). The processing command was: mysql -u cod_reader -h www.crystallography.net cod -e \ 'select distinct codid from validation \ where message like \ "%tag%_exptl_crystal_density_meas'\''%"' -NB \ \| xargs -i sh -c 'cif_fix_values {} \ \| cif_filter --add-cif-header {} \ \| sponge {}'	4103205.cif
120076	2014-07-11	Adding DOIs to range 4/10 structures.	4103205.cif
34330	2012-02-24	cif/4/ Reorganising CIF range 4 into a prefix tree.	4103205.cif
26163	2011-09-19	../uploads/cif-deposit/cod/cif Adding structures of 4103205 via cif-deposit CGI script.	4103205.cif