Crystallography Open Database

Information card for entry 4326528

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Structure parameters

Formula	C24 H30 F3 N O4 P2 S Si
Calculated formula	C24 H30 F3 N O4 P2 S Si
SMILES	[Si](OP(=N[P+](C)(C)C)(C)C)(c1ccccc1)(c1ccccc1)c1ccccc1.S(=O)(=O)([O-])C(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	18.5098 ± 0.0019 Å
b	9.7109 ± 0.0008 Å
c	16.3446 ± 0.0015 Å
α	90°
β	107.282 ± 0.006°
γ	90°
Cell volume	2805.3 ± 0.5 Å³
Cell temperature	100 ± 2 K
Ambient diffraction temperature	100 ± 2 K
Number of distinct elements	8
Space group number	14
Hermann-Mauguin space group symbol	P 1 21/c 1
Hall space group symbol	-P 2ybc
Residual factor for all reflections	0.0649
Residual factor for significantly intense reflections	0.0489
Weighted residual factors for significantly intense reflections	0.1247
Weighted residual factors for all reflections included in the refinement	0.1327
Goodness-of-fit parameter for all reflections included in the refinement	1.149
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.	4326528.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.	4326528.cif
91935	2013-12-29	cod/ (saulius@koala.ibt.lt) Adding DOIs that could be assigned unambiguously to the rest of COD CIFs.	4326528.cif
48818	2012-03-27	../uploads/cif-deposit/cod/cif Adding structures of 4326528 via cif-deposit CGI script.	4326528.cif