Crystallography Open Database

Information card for entry 4079842

Preview

Coordinates	4079842.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C67 H106 Li7 O5 P3 S3 Si4
Calculated formula	C67.02 H106.05 Li7 O5 P3 S3 Si4
Title of publication	Synthesis of Phosphorus(V)-Stabilized Geminal Dianions. The Cases of Mixed P═X/P→BH3(X = S, O) and P═S/SiMe3Derivatives
Authors of publication	Heuclin, Hadrien; Fustier-Boutignon, Marie; Ho, Samuel Ying-Fu; Goff, Xavier-Frédéric Le; Carenco, Sophie; So, Cheuk-Wai; Mézailles, Nicolas
Journal of publication	Organometallics
Year of publication	2013
Journal volume	32
Journal issue	2
Pages of publication	498
a	16.104 ± 0.001 Å
b	16.104 ± 0.001 Å
c	57.726 ± 0.002 Å
α	90°
β	90°
γ	120°
Cell volume	12964.9 ± 1.2 Å³
Cell temperature	150 ± 0.1 K
Ambient diffraction temperature	150 ± 0.1 K
Number of distinct elements	7
Space group number	161
Hermann-Mauguin space group symbol	R 3 c :H
Hall space group symbol	R 3 -2"c
Residual factor for all reflections	0.1092
Residual factor for significantly intense reflections	0.0802
Weighted residual factors for significantly intense reflections	0.2257
Weighted residual factors for all reflections included in the refinement	0.2439
Goodness-of-fit parameter for all reflections included in the refinement	1.038
Diffraction radiation wavelength	0.71069 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

Version history

Revision	Date	Message	Files
178687 (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 4/07/98.	4079842.cif
91935	2013-12-29	cod/ (saulius@koala.ibt.lt) Adding DOIs that could be assigned unambiguously to the rest of COD CIFs.	4079842.cif
74081	2013-02-21	cif/ Adding structures of 4079837, 4079838, 4079839, 4079840, 4079841, 4079842, 4079843, 4079844 via cif-deposit CGI script.	4079842.cif