Crystallography Open Database

Information card for entry 7112248

Preview

Coordinates	7112248.cif
Original paper (by DOI)	HTML

Structure parameters

Common name	Binaph-P2-Pyrx2AlMe3 ([4-AlMe2]+[AlMe4]-)
Chemical name	(1S)-[1,1'-Binaphthalene]-2,2'-diamine,N2,N2'-bis([tris-(pyrrolidinyl)phosphazenyl]bis(pyrrolidinyl)phosphoranylidene) x 2AlMe3
Formula	C66 H110 Al2 N14 P4
Calculated formula	C66 H110 Al2 N14 P4
Title of publication	Two C2-symmetric chelating P2-bisphosphazene superbases connected via a binaphthyl backbone - synthesis, structural features and preparation of a cationic alkyl aluminum complex
Authors of publication	Julius F. Kogel; Nis-Julian Kneusels; Jorg Sundermeyer
Journal of publication	Chem.Commun.
Year of publication	2014
Journal volume	50
Pages of publication	4319
a	10.751 ± 0.003 Å
b	33.1 ± 0.007 Å
c	10.9 ± 0.003 Å
α	90°
β	116.309 ± 0.013°
γ	90°
Cell volume	3477.1 ± 1.6 Å³
Cell temperature	100 ± 2 K
Ambient diffraction temperature	100 ± 2 K
Number of distinct elements	5
Space group number	4
Hermann-Mauguin space group symbol	P 1 21 1
Hall space group symbol	P 2yb
Residual factor for all reflections	0.122
Residual factor for significantly intense reflections	0.0702
Weighted residual factors for significantly intense reflections	0.1429
Weighted residual factors for all reflections included in the refinement	0.1675
Goodness-of-fit parameter for all reflections included in the refinement	1.048
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

Version history

Revision	Date	Message	Files
176432 (current)	2016-02-14	cif/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries.	7112248.cif
126140	2014-11-01	cif/7/ (saulius@kolibris) Adding DOI prefixes to 64 COD entries.	7112248.cif
108973	2014-04-07	cif/ Adding structures of 7112247, 7112248, 7112249 via cif-deposit CGI script.	7112248.cif