Crystallography Open Database

Information card for entry 4326532

Preview

Coordinates	4326532.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C8 H24 F6 N O P3 Si
Calculated formula	C8 H24 F6 N O P3 Si
SMILES	P(=N[P+](C)(C)C)(O[Si](C)(C)C)(C)C.[P](F)(F)(F)(F)(F)[F-]
Title of publication	Reactions of Phosphine Oxides with Bromophosphoranimines; Synthesis and Unusual Rearrangements of O-Donor Stabilized Phosphoranimine Cations
Authors of publication	Martin Bendle; Keith Huynh; Mairi F. Haddow; Ian Manners
Journal of publication	Inorganic Chemistry
Year of publication	2011
Journal volume	50
Pages of publication	10292 - 10302
a	13.9242 ± 0.0017 Å
b	10.7663 ± 0.0014 Å
c	24.733 ± 0.003 Å
α	90°
β	104.734 ± 0.002°
γ	90°
Cell volume	3585.9 ± 0.8 Å³
Cell temperature	100 ± 2 K
Ambient diffraction temperature	100 ± 2 K
Number of distinct elements	7
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	0.0452
Residual factor for significantly intense reflections	0.0391
Weighted residual factors for significantly intense reflections	0.0977
Weighted residual factors for all reflections included in the refinement	0.1019
Goodness-of-fit parameter for all reflections included in the refinement	1.029
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
179368 (current)	2016-03-23	cif/4/32/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/32/65.	4326532.cif
91935	2013-12-29	cod/ (saulius@koala.ibt.lt) Adding DOIs that could be assigned unambiguously to the rest of COD CIFs.	4326532.cif
48824	2012-03-27	../uploads/cif-deposit/cod/cif Adding structures of 4326532 via cif-deposit CGI script.	4326532.cif