Crystallography Open Database

Information card for entry 4311634

Preview

Coordinates	4311634.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C26 H28 Cl6 N8 O2 Pt2 Zn
Calculated formula	C26 H28 Cl6 N8 O2 Pt2 Zn
SMILES	[Pt]12([n]3c(N=[N]2c2[n]([Pt]4([n]5c(N=[N]4c4[n]1cccc4)cccc5)Cl)cccc2)cccc3)Cl.[Zn](Cl)(Cl)([Cl-])[Cl-].O=C(C)C.O=C(C)C
Title of publication	Complex Reduction Chemistry of (abpy)PtCl2, abpy = 2,2'-Azobispyridine: Formation of Cyclic [(μ,η2:η1-abpy)PtCl]22+ with a New Coordination Mode for abpy and a Near-Infrared Ligand-to-Ligand Intervalence Charge Transfer Absorption of the One-Electron Reduced State
Authors of publication	Akbey Dogan; Biprajit Sarkar; Axel Klein; Falk Lissner; Thomas Schleid; Jan Fiedler; Stanislav Záliš; Vimal K. Jain; Wolfgang Kaim
Journal of publication	Inorganic Chemistry
Year of publication	2004
Journal volume	43
Pages of publication	5973 - 5980
a	10.378 ± 0.002 Å
b	14.727 ± 0.003 Å
c	22.318 ± 0.003 Å
α	90°
β	93.306 ± 0.014°
γ	90°
Cell volume	3405.3 ± 1.1 Å³
Cell temperature	173 ± 2 K
Ambient diffraction temperature	293 ± 2 K
Number of distinct elements	7
Space group number	14
Hermann-Mauguin space group symbol	P 1 21/c 1
Hall space group symbol	-P 2ybc
Residual factor for all reflections	0.0612
Residual factor for significantly intense reflections	0.0363
Weighted residual factors for significantly intense reflections	0.0843
Weighted residual factors for all reflections included in the refinement	0.0898
Goodness-of-fit parameter for all reflections included in the refinement	0.68
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
192782 (current)	2017-03-02	cod/ (antanas@echidna.ibt.lt) Correcting misspelt data item names by using the 'cod_correct_tags' script and the replacement file 'data/replacement-values/replacement_tags.lst' from the cod-tools repository (rev. 5004). The correction was mainly focused on removing misspelt versions of the '_publ_contact_author' loop data items.	4311634.cif
176467	2016-02-16	cif/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in range 4.	4311634.cif
120093	2014-07-12	Adding DOIs to range 4/31 structures.	4311634.cif
34330	2012-02-24	cif/4/ Reorganising CIF range 4 into a prefix tree.	4311634.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' ) &	4311634.cif
3133	2010-11-13	../uploads/cif-deposit/cod/cif Adding structures of 4311634 via cif-deposit CGI script.	4311634.cif