Crystallography Open Database

Information card for entry 4301041

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Coordinates	4301041.cif
Original paper (by DOI)	HTML

Structure parameters

Common name	Phenyl[tris(2-thio-5-methylphenyl-k3S)phosphine-kP]tin
Formula	C27 H23 P S3 Sn
Calculated formula	C27 H23 P S3 Sn
SMILES	[Sn]123([P](c4c(S1)ccc(c4)C)(c1c([S]2)ccc(c1)C)c1c(S3)ccc(c1)C)c1ccccc1
Title of publication	Trigonal Bipyramidal Tin(IV) Complexes Containing Tetradentate Tripodal Tristhiolatophosphine Ligands: Synthesis, Characterization, Crystal Structure and Transmetalation Reactions
Authors of publication	Kerry A. Clark; T. Adrian George
Journal of publication	Inorganic Chemistry
Year of publication	2005
Journal volume	44
Pages of publication	416 - 422
a	10.641 ± 0.002 Å
b	15.354 ± 0.003 Å
c	15.384 ± 0.003 Å
α	90°
β	91.85 ± 0.03°
γ	90°
Cell volume	2512.2 ± 0.9 Å³
Cell temperature	293 ± 2 K
Ambient diffraction temperature	293 ± 2 K
Number of distinct elements	5
Space group number	14
Hermann-Mauguin space group symbol	P 1 21/c 1
Hall space group symbol	-P 2ybc
Has coordinates	Yes
Has disorder	No
Has F_obs	No

Version history

Revision	Date	Message	Files
179048 (current)	2016-03-22	cif/4/30/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/30/10.	4301041.cif
134573	2015-04-01	cod/ (robertas@burundukas) The 'cif_fix_values' script was applied on the CIF files, which had notes in the COD database's table 'validations' generated by the 'cif_validate' validator about misspelling of the enumerable values of the data item '_symmetry_cell_setting'. There was used the option '--fix-only-misspelled'. And there were used 'cif_filter' later in the pipe. Read the log for more details. There were 595 distinct CIF files which had messages from validator. The 'cif_fix_values' script generated 417 messages about corrected misspelled values of enumerators to the log file. Some messages were generated by 'cif_filter' and some changes by the 'cif_filter' were done without messaging to the log file. The 'cif_fix_value' script corrected the enumerators of all data items presented in the file for the replacement of the misspelled values.	4301041.cif
120081	2014-07-12	Adding DOIs to range 4/30 structures.	4301041.cif
61127	2012-06-21	smi/7 Adding SMILES for borane derivatives.	4301041.cif
34330	2012-02-24	cif/4/ Reorganising CIF range 4 into a prefix tree.	4301041.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.	4301041.cif
853	2009-11-16	cif/ Reconstructing spacegroup designators from the symmetry operators were possible. The comands used can be found in the log file reformat-spacegroups-2009.11.14.log committed with the current revision. Only lines that contained spacegroup designators were changed, and all files pass vcif test after the conversion.	4301041.cif
725	2009-05-14	cif/: Fixing the misspelled _atom_site_symetry_multiplicity tag: saulius@delfinas checks/ > pwd /home/saulius/struct/cod/cif/checks saulius@delfinas checks/ > find ../[2-9]/ -name \*.cif \ \| xargs grep -l _atom_site_symetry_multiplicity \ \| xargs -n1 -t \ perl -i -pe 's/_atom_site_symetry_multiplicity/_atom_site_symmetry_multiplicity/'	4301041.cif
117	2008-02-14	25 files corrected.	4301041.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/'	4301041.cif
14	2008-01-13	Appending a header with SVN keywords, COD URL and copying policy to all COD CIF files.	4301041.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.	4301041.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)	4301041.cif