Crystallography Open Database

Information card for entry 7051012

Preview

Coordinates	7051012.cif
Original paper (by DOI)	HTML

Structure parameters

Common name	Bis-(Methyltropp)rhodium-hexafluorophosphate
Formula	C58 H49 F6 N P3 Rh
Calculated formula	C58 H49 F6 N P3 Rh
Title of publication	Highly distorted d8-rhodium(+I) and d10-rhodium(-I) complexes: synthesis, reactivity, and structures in solution and solid state
Authors of publication	Deblon, Stephan; Rüegger, Heinz; Schönberg, Hartmut; Loss, Sandra; Gramlich, Volker; Grützmacher, Hansjörg
Journal of publication	New Journal of Chemistry
Year of publication	2001
Journal volume	25
Journal issue	1
Pages of publication	83
a	10.844 ± 0.002 Å
b	20.697 ± 0.004 Å
c	22.722 ± 0.005 Å
α	91.629 ± 0.013°
β	91.462 ± 0.013°
γ	101.89 ± 0.012°
Cell volume	4985.7 ± 1.7 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	0.0706
Residual factor for significantly intense reflections	0.0361
Weighted residual factors for all reflections	0.0769
Weighted residual factors for significantly intense reflections	0.0721
Goodness-of-fit parameter for all reflections	0.751
Goodness-of-fit parameter for significantly intense reflections	0.964
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
180064 (current)	2016-03-26	cif/7/05/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 7/05/10.	7051012.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.	7051012.cif
132627	2015-03-03	cif/ (antanas@koala.ibt.lt) Removing unrecognised tags from CIFs in range 4/ and range 7/.	7051012.cif
120112	2014-07-12	Adding DOIs to range 7 structures.	7051012.cif
35909	2012-02-26	cif/7/: reorganising range 7 into a prefix-directory tree.	7051012.cif
3915	2010-12-15	cif/7/ Redepositing 7051012.cif and 7051013.cif with full bibliography.	7051012.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.	7051012.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/'	7051012.cif
14	2008-01-14	Appending a header with SVN keywords, COD URL and copying policy to all COD CIF files.	7051012.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.	7051012.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)	7051012.cif