Crystallography Open Database

Information card for entry 4303992

Preview

Coordinates	4303992.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C28 H44 Ge O10 P2 Si4 W2
Calculated formula	C28 H44 Ge O10 P2 Si4 W2
SMILES	[W]([P]1[Ge](C(=[P](C=1C)[W](C#[O])(C#[O])(C#[O])(C#[O])C#[O])C)(C([Si](C)(C)C)[Si](C)(C)C)C([Si](C)(C)C)[Si](C)(C)C)(C#[O])(C#[O])(C#[O])(C#[O])C#[O]
Title of publication	Unusual Reactivity of Methylphosphaalkyne (P\τbCMe) toward Digermenes and Distannenes: Stepwise Formations of Bridged 2,3,5,6-Tetraphospha-1,4-dimethylidenecyclohexanes
Authors of publication	Cameron Jones; Christian Schulten; Andreas Stasch
Journal of publication	Inorganic Chemistry
Year of publication	2008
Journal volume	47
Pages of publication	1273 - 1278
a	11.323 ± 0.002 Å
b	18.487 ± 0.004 Å
c	20.297 ± 0.004 Å
α	90°
β	90°
γ	90°
Cell volume	4248.7 ± 1.5 Å³
Cell temperature	150 ± 2 K
Ambient diffraction temperature	150 ± 2 K
Number of distinct elements	7
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	0.0264
Residual factor for significantly intense reflections	0.0246
Weighted residual factors for significantly intense reflections	0.0533
Weighted residual factors for all reflections included in the refinement	0.0538
Goodness-of-fit parameter for all reflections included in the refinement	1.048
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
179077 (current)	2016-03-22	cif/4/30/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/30/39.	4303992.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 {}'	4303992.cif
120081	2014-07-12	Adding DOIs to range 4/30 structures.	4303992.cif
34330	2012-02-24	cif/4/ Reorganising CIF range 4 into a prefix tree.	4303992.cif
1163	2010-05-11	cif/4/: committing data from the Inorg-Chem-2008_01-12/ deposition.	4303992.cif