Crystallography Open Database

Information card for entry 4115604

Preview

Coordinates	4115604.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C61 H66 B2 F24 N6 O2 Pt Si
Calculated formula	C61 H66 B2 F33 N6 O2 Pt Si
Title of publication	Five-Coordinate Trispyrazolylborate Dihydridosilyl Platinum(IV) Complexes
Authors of publication	Stefan Reinartz; Peter S. White; Maurice Brookhart; Joseph L. Templeton
Journal of publication	Journal of the American Chemical Society
Year of publication	2001
Journal volume	123
Pages of publication	6425 - 6426
a	12.4242 ± 0.0005 Å
b	22.4768 ± 0.0008 Å
c	25.1848 ± 0.0009 Å
α	90°
β	95.457 ± 0.001°
γ	90°
Cell volume	7001.1 ± 0.5 Å³
Cell temperature	193 K
Ambient diffraction temperature	193 K
Number of distinct elements	8
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	0.068
Residual factor for significantly intense reflections	0.048
Weighted residual factors for all reflections	0.064
Weighted residual factors for significantly intense reflections	0.061
Goodness-of-fit parameter for significantly intense reflections	2.29
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MolybdenumKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

Version history

Revision	Date	Message	Files
176467 (current)	2016-02-16	cif/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in range 4.	4115604.cif
134621	2015-04-02	The 'cif_fix_values' script with an option '--fix-only-weighting-scheme' and 'cif_filter' script were run over CIF files which included an incorrect value of the data item '_refine_ls_weighting_scheme'. Read the log for more details. There were more than 18k CIF files with values to modify. Usually these incorrect values include comment with formulas, but values of this data item must be an enumerator. The script creates new data item '_refine_ls_weighting_details' to store these comments with formulas, and writes the enumerator 'calc' as a value of data item '_refine_ls_weighting_scheme'. There exists some exceptions in the script.	4115604.cif
132129	2015-02-20	cod/ (robertas@burundukas) Changed 'Insert the chemical name here' placeholders into '?': codsql 'select file, chemname from data where chemname like "%name%here%" ' -NB \ \| awk '{print $1}' \ \| codid2file \ \| xargs perl -0777 -i -pe \ 's/ \b (?i:_chemical_name_systematic) \b \K (?: \s (?!\n) )* \n ; \s* ( \? \s* .Insert\ the\ chemical\ name\ here\. \| insert\ name\ here \| name\ here \| Insert\ the\ systematic\ name\ here \| systematic\ name\ to\ be\ included\ here ) \s+ (?<= \n ) ; (?= \n ) / ?/ixms'	4115604.cif
120077	2014-07-12	Adding DOIs to range 4/11 structures.	4115604.cif
69197	2012-12-04	cif/ Adding structures of 4115604 via cif-deposit CGI script.	4115604.cif