Crystallography Open Database

Information card for entry 7051269

Preview

Coordinates	7051269.cif
Original paper (by DOI)	HTML

Structure parameters

Common name	[Zn(Ph-protach)(Cl)]BPh4, (3)
Chemical name	cis,cis-1,3,5-(E,E)-tri(phenyl-propenylideneamino)cyclohexane zinc(II) chloride tetraphenylborate, (3) {tri(phenyl-propenylideneamino)cyclohexane = (Ph-protach)}
Formula	C60 H59 B Cl7 N3 Zn
Calculated formula	C60 H59 B Cl7 N3 Zn
SMILES	[Zn]12(Cl)[N](C3CC([N]2=CC=Cc2ccccc2)CC([N]1=CC=Cc1ccccc1)C3)=CC=Cc1ccccc1.C(Cl)Cl.ClCCl.ClCCl.c1(ccccc1)[B-](c1ccccc1)(c1ccccc1)c1ccccc1
Title of publication	Syntheses and structures of a range of metal complexes with the ligand cis,cis-1,3,5-(E,E)-tris(phenylpropenylideneamino)cyclohexane
Authors of publication	Greener, Bryan; Foxon, Simon P.; Walton, Paul H.
Journal of publication	New Journal of Chemistry
Year of publication	2000
Journal volume	24
Journal issue	5
Pages of publication	269
a	15.222 ± 0.01 Å
b	19.097 ± 0.009 Å
c	10.784 ± 0.01 Å
α	99.61 ± 0.06°
β	103.87 ± 0.07°
γ	76.73 ± 0.04°
Cell volume	2941 ± 4 Å³
Cell temperature	293 ± 2 K
Ambient diffraction temperature	293 ± 2 K
Number of distinct elements	6
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.1414
Residual factor for significantly intense reflections	0.0733
Weighted residual factors for significantly intense reflections	0.1853
Weighted residual factors for all reflections included in the refinement	0.2276
Goodness-of-fit parameter for all reflections included in the refinement	0.986
Diffraction radiation probe	x-ray
Diffraction radiation wavelength	0.71069 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

Version history

Revision	Date	Message	Files
180066 (current)	2016-03-25	cif/7/05/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 7/05/12.	7051269.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"	7051269.cif
120112	2014-07-12	Adding DOIs to range 7 structures.	7051269.cif
35909	2012-02-26	cif/7/: reorganising range 7 into a prefix-directory tree.	7051269.cif
11752	2011-02-18	cif/7/ Redepositing RSC CIFs that were formally processed with an old version of cif_fix_values script.	7051269.cif
3898	2010-12-09	cif/ Adding the files from the 2004-2000-RSC/ processing directory identified for redeposition. Last page numbers were restored manually from the command line.	7051269.cif
966	2010-01-30	cif/ Adding _cod_database_code tags to all COD entries. Adding tag description to the cif_cod.dic dictionary so that COD entries can be validated.	7051269.cif
19	2008-01-26	Changing all end-of-line codes from DOS style to UNIX style in all COD CIF files, for more convenient processing: In the cod/cif/ directory: ff \*.cif \| xargs perl -i -pe 's/\r\n/\n/'	7051269.cif
14	2008-01-13	Appending a header with SVN keywords, COD URL and copying policy to all COD CIF files.	7051269.cif
13	2008-01-13	Setting the svn:keywords property to "Author Date Revision URL Id" for all CIF files in the cod/cif directory.	7051269.cif
1	2007-11-30	Adding all .cif files from the COD, downloaded in a Cod.zip file on 2007.02.07 (and the same Cod.zip is downloadable today, on 2007.11.29)	7051269.cif