Crystallography Open Database

Information card for entry 4328411

Preview

Coordinates	4328411.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C21 H36 Al N
Calculated formula	C21 H36 Al N
SMILES	[Al](C#[N]c1c(cccc1C)C)(C(C)(C)C)(C(C)(C)C)C(C)(C)C
Title of publication	Synthesis and Calorimetric, Spectroscopic, and Structural Characterization of Isocyanide Complexes of Trialkylaluminum and Tri-tert-butylgallium
Authors of publication	Nicholas B. Kingsley; Kristin Kirschbaum; Joseph A. Teprovich; Robert A. Flowers; Mark R. Mason
Journal of publication	Inorganic Chemistry
Year of publication	2012
Journal volume	51
Pages of publication	2494 - 2502
a	8.8875 ± 0.0002 Å
b	11.8471 ± 0.0002 Å
c	11.9501 ± 0.0002 Å
α	64.069 ± 0.001°
β	87.109 ± 0.001°
γ	72.33 ± 0.001°
Cell volume	1073.19 ± 0.04 Å³
Cell temperature	140 K
Ambient diffraction temperature	140 K
Number of distinct elements	4
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.0649
Residual factor for significantly intense reflections	0.0496
Weighted residual factors for significantly intense reflections	0.1116
Weighted residual factors for all reflections included in the refinement	0.1168
Goodness-of-fit parameter for all reflections included in the refinement	1.054
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
179387 (current)	2016-03-23	cif/4/32/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/32/84.	4328411.cif
77377	2013-03-26	cif/ Adding structures of 4328411 via cif-deposit CGI script.	4328411.cif