Crystallography Open Database

Information card for entry 4071229

Preview

Coordinates	4071229.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C18 H46 Ir P3 Si
Calculated formula	C18 H46 Ir P3 Si
SMILES	[IrH]([P](C)(C)C)([P](C)(C)C)([P](C)(C)C)([Si](/C=C(C(=C)C)\C)(C)C)C
Title of publication	Silapentadienyl−Iridium−Phosphine Chemistry(1)
Authors of publication	Bleeke, John R.; Thananatthanachon, Todsapon; Rath, Nigam P.
Journal of publication	Organometallics
Year of publication	2008
Journal volume	27
Journal issue	11
Pages of publication	2436
a	15.8275 ± 0.0008 Å
b	17.7785 ± 0.001 Å
c	17.9098 ± 0.0009 Å
α	90°
β	90°
γ	90°
Cell volume	5039.6 ± 0.5 Å³
Cell temperature	100 ± 2 K
Ambient diffraction temperature	100 ± 2 K
Number of distinct elements	5
Space group number	61
Hermann-Mauguin space group symbol	P b c a
Hall space group symbol	-P 2ac 2ab
Residual factor for all reflections	0.0378
Residual factor for significantly intense reflections	0.0224
Weighted residual factors for significantly intense reflections	0.039
Weighted residual factors for all reflections included in the refinement	0.0419
Goodness-of-fit parameter for all reflections included in the refinement	1.03
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
178601 (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 4/07/12.	4071229.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 {}'	4071229.cif
120075	2014-07-11	Adding DOIs to range 4/07 structures.	4071229.cif
47256	2012-03-23	cif/4/ Distributing the new range 4 CIFs into their appropriate prefixed subdirectories.	4071229.cif
43108	2012-03-13	../uploads/cif-deposit/cod/cif Adding structures of 4071226, 4071227, 4071228, 4071229 via cif-deposit CGI script.	4071229.cif