Crystallography Open Database

Information card for entry 4326531

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Structure parameters

Formula	C12 H30 F3 N O4 P2 S Si
Calculated formula	C12 H30 F3 N O4 P2 S Si
SMILES	S(=O)(=O)([O-])C(F)(F)F.[Si](OP(=N[P+](CC)(CC)CC)(C)C)(C)(C)C
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	13.8576 ± 0.0012 Å
b	13.446 ± 0.0013 Å
c	23.067 ± 0.002 Å
α	90°
β	90°
γ	90°
Cell volume	4298.1 ± 0.7 Å³
Cell temperature	100 ± 2 K
Ambient diffraction temperature	100 ± 2 K
Number of distinct elements	8
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	0.0325
Residual factor for significantly intense reflections	0.0288
Weighted residual factors for significantly intense reflections	0.0777
Weighted residual factors for all reflections included in the refinement	0.0815
Goodness-of-fit parameter for all reflections included in the refinement	1.06
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
201982 (current)	2017-10-13	cif/ Marking COD entries in range 4 that are known to be related to ChemSpider entries using the _cod_related_entry data loop.	4326531.cif
179368	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.	4326531.cif
91935	2013-12-29	cod/ (saulius@koala.ibt.lt) Adding DOIs that could be assigned unambiguously to the rest of COD CIFs.	4326531.cif
48823	2012-03-27	../uploads/cif-deposit/cod/cif Adding structures of 4326531 via cif-deposit CGI script.	4326531.cif