Crystallography Open Database

Information card for entry 4075159

Preview

Coordinates	4075159.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C124 H254 Fe P6 Si24
Calculated formula	C124 H254 Fe P6 Si24
SMILES	[Fe]12345678([c]9([cH]4[cH]3[cH]2[cH]19)P(Pc1c(cc(cc1C([Si](C)(C)C)[Si](C)(C)C)C([Si](C)(C)C)[Si](C)(C)C)C([Si](C)(C)C)[Si](C)(C)C)Pc1c(cc(cc1C([Si](C)(C)C)[Si](C)(C)C)C([Si](C)(C)C)[Si](C)(C)C)C([Si](C)(C)C)[Si](C)(C)C)[c]1([cH]8[cH]7[cH]6[cH]51)P(Pc1c(cc(cc1C([Si](C)(C)C)[Si](C)(C)C)C([Si](C)(C)C)[Si](C)(C)C)C([Si](C)(C)C)[Si](C)(C)C)Pc1c(cc(cc1C([Si](C)(C)C)[Si](C)(C)C)C([Si](C)(C)C)[Si](C)(C)C)C([Si](C)(C)C)[Si](C)(C)C.c1ccccc1
Title of publication	Synthesis of 1,1‘-Ferrocenylene-Bridged Bisdiphosphenes
Authors of publication	Moser, Carmen; Nieger, Martin; Pietschnig, Rudolf
Journal of publication	Organometallics
Year of publication	2006
Journal volume	25
Journal issue	10
Pages of publication	2667
a	19.6366 ± 0.0002 Å
b	24.3191 ± 0.0003 Å
c	34.6941 ± 0.0005 Å
α	90°
β	90°
γ	90°
Cell volume	16568 ± 0.4 Å³
Cell temperature	123 ± 2 K
Ambient diffraction temperature	123 ± 2 K
Number of distinct elements	5
Space group number	19
Hermann-Mauguin space group symbol	P 21 21 21
Hall space group symbol	P 2ac 2ab
Residual factor for all reflections	0.139
Residual factor for significantly intense reflections	0.0558
Weighted residual factors for significantly intense reflections	0.0902
Weighted residual factors for all reflections included in the refinement	0.1049
Goodness-of-fit parameter for all reflections included in the refinement	0.849
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
178640 (current)	2016-03-21	cif/4/07/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/07/51.	4075159.cif
130086	2015-01-23	cod/ (robertas@burundukas) The 'cif_fix_values' program was applied to CIFs that have generated the validation messages containing tag '_exptl_crystal_density_meas'. 16946 CIFs had a values that were perceived as 'not measured' and they were changed to '?'. The total of 17089 CIFs was changed. Those that were not corrected by 'cif_fix_values' were reformatted by the parser (e.g. a doi tag was moved to another place). The processing command was: mysql -u cod_reader -h www.crystallography.net cod -e \ 'select distinct codid from validation \ where message like \ "%tag%_exptl_crystal_density_meas'\''%"' -NB \ \| xargs -i sh -c 'cif_fix_values {} \ \| cif_filter --add-cif-header {} \ \| sponge {}'	4075159.cif
120075	2014-07-11	Adding DOIs to range 4/07 structures.	4075159.cif
49087	2012-03-27	../uploads/cif-deposit/cod/cif Adding structures of 4075159 via cif-deposit CGI script.	4075159.cif