Crystallography Open Database

Information card for entry 4116404

Preview

Coordinates	4116404.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C5 H15 F20 N5 P10 Rh2
Calculated formula	C5 H15 F20 N5 P10 Rh2
SMILES	[Rh]123([Rh]([P](N([P]1(F)F)C)(F)F)([P](N([P]2(F)F)C)(F)F)([P](N([P]3(F)F)C)(F)F)[P](N([P](F)F)C)(F)F)[P](N([P](F)F)C)(F)F
Title of publication	Four-Electron Photochemistry of Dirhodium Fluorophosphine Compounds
Authors of publication	Alan F. Heyduk; Ann M. Macintosh; Daniel G. Nocera
Journal of publication	Journal of the American Chemical Society
Year of publication	1999
Journal volume	121
Pages of publication	5023 - 5032
a	28.3689 ± 0.0014 Å
b	12.4003 ± 0.0006 Å
c	17.3397 ± 0.0009 Å
α	90°
β	96.306 ± 0.001°
γ	90°
Cell volume	6062.9 ± 0.5 Å³
Cell temperature	183 ± 2 K
Ambient diffraction temperature	183 ± 2 K
Number of distinct elements	6
Space group number	15
Hermann-Mauguin space group symbol	C 1 2/c 1
Hall space group symbol	-C 2yc
Residual factor for all reflections	0.0649
Residual factor for significantly intense reflections	0.043
Weighted residual factors for all reflections	0.1011
Weighted residual factors for significantly intense reflections	0.0715
Goodness-of-fit parameter for all reflections	1.124
Goodness-of-fit parameter for significantly intense reflections	1.139
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
178935 (current)	2016-03-22	cif/4/11/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/11/64.	4116404.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.	4116404.cif
71019	2013-01-15	cif/ Adding structures of 4116404 via cif-deposit CGI script.	4116404.cif