Crystallography Open Database

Information card for entry 4340212

Preview

Coordinates	4340212.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C18 H33 Al B Cl N2 O
Calculated formula	C18 H33 Al B Cl N2 O
SMILES	Cl[Al]1(N(C(C)(C)C)B(N1C(C)(C)C)c1ccccc1)[O](CC)CC
Title of publication	Syntheses and structures of magnesium and zinc boraamidinates: EPR and DFT investigations of Li, Mg, Zn, B, and In complexes of the [PhB(NtBu)2].- anion radical.
Authors of publication	Chivers, Tristram; Eisler, Dana J.; Fedorchuk, Chantall; Schatte, Gabriele; Tuononen, Heikki M.; Boeré, René T
Journal of publication	Inorganic chemistry
Year of publication	2006
Journal volume	45
Journal issue	5
Pages of publication	2119 - 2131
a	11.8251 ± 0.0002 Å
b	13.4014 ± 0.0002 Å
c	14.6888 ± 0.0002 Å
α	90°
β	106.965 ± 0.001°
γ	90°
Cell volume	2226.48 ± 0.06 Å³
Cell temperature	173 ± 2 K
Ambient diffraction temperature	173 ± 2 K
Number of distinct elements	7
Space group number	14
Hermann-Mauguin space group symbol	P 1 21/n 1
Hall space group symbol	-P 2yn
Residual factor for all reflections	0.0528
Residual factor for significantly intense reflections	0.04
Weighted residual factors for significantly intense reflections	0.1051
Weighted residual factors for all reflections included in the refinement	0.1137
Goodness-of-fit parameter for all reflections included in the refinement	1.025
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
179505 (current)	2016-03-23	cif/4/34/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/34/02.	4340212.cif
118680	2014-06-30	cif/ Adding structures of 4340208, 4340209, 4340210, 4340211, 4340212 via cif-deposit CGI script.	4340212.cif