Crystallography Open Database

Information card for entry 4308068

Preview

Coordinates	4308068.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C26 H56 Al2 F6 N2 O6 P2 S2
Calculated formula	C26 H56 Al2 F6 N2 O6 P2 S2
SMILES	[AlH]1([N](=P(C(C)(C)C)(C(C)(C)C)C(C)(C)C)[AlH]([N]1=P(C(C)(C)C)(C(C)(C)C)C(C)(C)C)OS(=O)(=O)C(F)(F)F)OS(=O)(=O)C(F)(F)F
Title of publication	Boron and Aluminum Complexes of Sterically Demanding Phosphinimines and Phosphinimides
Authors of publication	Silke Courtenay; Denise Walsh; Sarah Hawkeswood; Pingrong Wei; Anjan Kumar Das; Douglas W. Stephan
Journal of publication	Inorganic Chemistry
Year of publication	2007
Journal volume	46
Pages of publication	3623 - 3631
a	13.64 ± 0.008 Å
b	17.599 ± 0.01 Å
c	19.094 ± 0.011 Å
α	112.843 ± 0.011°
β	108.234 ± 0.012°
γ	90.847 ± 0.012°
Cell volume	3963 ± 4 Å³
Cell temperature	293 ± 2 K
Ambient diffraction temperature	293 ± 2 K
Number of distinct elements	8
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.1631
Residual factor for significantly intense reflections	0.0695
Weighted residual factors for significantly intense reflections	0.1662
Weighted residual factors for all reflections included in the refinement	0.195
Goodness-of-fit parameter for all reflections included in the refinement	0.855
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
179118 (current)	2016-03-23	cif/4/30/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/30/80.	4308068.cif
120081	2014-07-12	Adding DOIs to range 4/30 structures.	4308068.cif
56237	2012-05-09	smi/4 Adding miscelaneous SMILES in subdir 4	4308068.cif
34330	2012-02-24	cif/4/ Reorganising CIF range 4 into a prefix tree.	4308068.cif
1194	2010-06-06	cif/4/ Adding data from Inorg-Chem-2007_01-13/ processing directory.	4308068.cif