Crystallography Open Database

Information card for entry 7127469

Preview

Coordinates	7127469.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C30 H51 Al N3 Ni P3
Calculated formula	C30 H51 Al N3 Ni P3
SMILES	[Ni]123[P](c4n([Al]3(n3c([P]1(C(C)C)C(C)C)ccc3)n1c([P]2(C(C)C)C(C)C)ccc1)ccc4)(C(C)C)C(C)C
Title of publication	Ni complexes of an alane/tris(phosphine) ligand built around a strongly Lewis acidic tris(<i>N</i>-pyrrolyl)aluminum.
Authors of publication	Lai, Qingheng; Cosio, Mario N.; Ozerov, Oleg V.
Journal of publication	Chemical communications (Cambridge, England)
Year of publication	2020
Journal volume	56
Journal issue	94
Pages of publication	14845 - 14848
a	11.29 ± 0.009 Å
b	17.502 ± 0.013 Å
c	16.876 ± 0.013 Å
α	90°
β	96.935 ± 0.009°
γ	90°
Cell volume	3310 ± 4 Å³
Cell temperature	110 K
Ambient diffraction temperature	110 K
Number of distinct elements	6
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	0.0307
Residual factor for significantly intense reflections	0.0267
Weighted residual factors for significantly intense reflections	0.068
Weighted residual factors for all reflections included in the refinement	0.07
Goodness-of-fit parameter for all reflections included in the refinement	1.069
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
259373 (current)	2020-12-01	cif/ Adding structures of 7127469 via cif-deposit CGI script.	7127469.cif