Crystallography Open Database

Information card for entry 4316903

Preview

Coordinates	4316903.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C36 H42 F18 N4 O P2 Pt
Calculated formula	C36 H42 F18 N4 O P2 Pt
SMILES	[Pt]1([n]2c(c3[n]1cc(cc3)C(F)(F)F)ccc(c2)C(F)(F)F)(c1ccccc1C[NH+]1CCCCC1)c1ccccc1C[NH+]1CCCCC1.[P](F)(F)(F)(F)(F)[F-].[P](F)(F)(F)(F)(F)[F-].O
Title of publication	Intramolecular NH...Pt Interactions of Platinum(II) Diimine Complexes with Phenyl Ligands
Authors of publication	Sayandev Chatterjee; Jeanette A. Krause; Allen G. Oliver; William B. Connick
Journal of publication	Inorganic Chemistry
Year of publication	2010
Journal volume	49
Pages of publication	9798 - 9808
a	21.316 ± 0.001 Å
b	17.1154 ± 0.001 Å
c	13.3214 ± 0.0006 Å
α	90°
β	120.459 ± 0.001°
γ	90°
Cell volume	4189.3 ± 0.4 Å³
Cell temperature	200 ± 2 K
Ambient diffraction temperature	200 ± 2 K
Number of distinct elements	7
Space group number	9
Hermann-Mauguin space group symbol	C 1 c 1
Hall space group symbol	C -2yc
Residual factor for all reflections	0.046
Residual factor for significantly intense reflections	0.0413
Weighted residual factors for significantly intense reflections	0.0954
Weighted residual factors for all reflections included in the refinement	0.0983
Goodness-of-fit parameter for all reflections included in the refinement	0.967
Diffraction radiation wavelength	0.7749 Å
Diffraction radiation type	synchrotron
Has coordinates	Yes
Has disorder	No
Has F_obs	No

Version history

Revision	Date	Message	Files
179249 (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 4/31/69.	4316903.cif
91935	2013-12-29	cod/ (saulius@koala.ibt.lt) Adding DOIs that could be assigned unambiguously to the rest of COD CIFs.	4316903.cif
34330	2012-02-24	cif/4/ Reorganising CIF range 4 into a prefix tree.	4316903.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' ) &	4316903.cif
10415	2011-02-11	../uploads/cif-deposit/cod/cif Adding structures of 4316903 via cif-deposit CGI script.	4316903.cif