Crystallography Open Database

Information card for entry 7112247

Preview

Coordinates	7112247.cif
Original paper (by DOI)	HTML

Structure parameters

Common name	Binaph-P2-NMe2 (3)
Chemical name	(1S)-[1,1'-Binaphthalene]-2,2'-diamine,N2,N2'-bis([tris-(dimethylamino)phosphazenyl]bis(dimethylamino)phosphoranylidene)
Formula	C40 H72 N14 P4
Calculated formula	C40 H72 N14 P4
SMILES	c1(c(ccc2ccccc12)N=P(N(C)C)(N(C)C)N=P(N(C)C)(N(C)C)N(C)C)c1c(ccc2ccccc12)N=P(N(C)C)(N(C)C)N=P(N(C)C)(N(C)C)N(C)C
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	10.5097 ± 0.001 Å
b	13.3588 ± 0.0014 Å
c	16.9068 ± 0.0017 Å
α	87.901 ± 0.004°
β	89.867 ± 0.004°
γ	82.976 ± 0.004°
Cell volume	2354.3 ± 0.4 Å³
Cell temperature	100 ± 2 K
Ambient diffraction temperature	100 ± 2 K
Number of distinct elements	4
Space group number	1
Hermann-Mauguin space group symbol	P 1
Hall space group symbol	P 1
Residual factor for all reflections	0.0801
Residual factor for significantly intense reflections	0.0667
Weighted residual factors for significantly intense reflections	0.1647
Weighted residual factors for all reflections included in the refinement	0.1754
Goodness-of-fit parameter for all reflections included in the refinement	1.08
Diffraction radiation wavelength	0.71069 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

Version history

Revision	Date	Message	Files
180236 (current)	2016-03-26	cif/7/11/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 7/11/22.	7112247.cif
108973	2014-04-07	cif/ Adding structures of 7112247, 7112248, 7112249 via cif-deposit CGI script.	7112247.cif