Crystallography Open Database

Information card for entry 4063345

Preview

Coordinates	4063345.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C19 H25 Cl2 N5 Pt
Calculated formula	C19 H25 Cl2 N5 Pt
SMILES	[Pt]12(=C3N(C=CN3c3[n]1c(N1C=2N(C=C1)CCCC)ccc3)CCCC)Cl.[Cl-]
Title of publication	Water-Induced Changes of Photoluminescence of a Pincer-Type N-Heterocyclic Carbene Platinum(II) Complex
Authors of publication	Lee, Chen-Shiang; Sabiah, Shahulhameed; Wang, Ju-Chun; Hwang, Wen-Shu; Lin, Ivan J. B.
Journal of publication	Organometallics
Year of publication	2010
Journal volume	29
Journal issue	2
Pages of publication	286
a	10.502 ± 0.004 Å
b	10.504 ± 0.009 Å
c	12.428 ± 0.005 Å
α	103.212 ± 0.009°
β	114.349 ± 0.007°
γ	102.06 ± 0.01°
Cell volume	1142.7 ± 1.2 Å³
Cell temperature	296 ± 2 K
Ambient diffraction temperature	296 ± 2 K
Number of distinct elements	5
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.1547
Residual factor for significantly intense reflections	0.0708
Weighted residual factors for significantly intense reflections	0.1412
Weighted residual factors for all reflections included in the refinement	0.1626
Goodness-of-fit parameter for all reflections included in the refinement	1.034
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
178528 (current)	2016-03-21	cif/4/06/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/06/33.	4063345.cif
91935	2013-12-29	cod/ (saulius@koala.ibt.lt) Adding DOIs that could be assigned unambiguously to the rest of COD CIFs.	4063345.cif
34330	2012-02-24	cif/4/ Reorganising CIF range 4 into a prefix tree.	4063345.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' ) &	4063345.cif
10890	2011-02-14	../uploads/cif-deposit/cod/cif Adding structures of 4063344, 4063345 via cif-deposit CGI script.	4063345.cif