Crystallography Open Database

Information card for entry 4346688

Preview

Coordinates	4346688.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C50 H62 Al B N4 O4
Calculated formula	C50 H62 Al B N4 O4
SMILES	[Al]12(ON(c3[n]1cccc3)C(C)(C)C)(ON(c1[n]2cccc1)C(C)(C)C)([O]1CCCC1)[O]1CCCC1.c1(ccccc1)[B-](c1ccccc1)(c1ccccc1)c1ccccc1
Title of publication	Synthesis and Characterization of Aluminum Complexes of Redox-Active Pyridyl Nitroxide Ligands.
Authors of publication	Poitras, Andrew M.; Bogart, Justin A.; Cole, Bren E.; Carroll, Patrick J.; Schelter, Eric J.; Graves, Christopher R.
Journal of publication	Inorganic chemistry
Year of publication	2015
Journal volume	54
Journal issue	22
Pages of publication	10901 - 10908
a	13.214 ± 0.002 Å
b	12.694 ± 0.002 Å
c	27.138 ± 0.005 Å
α	90°
β	102.217 ± 0.009°
γ	90°
Cell volume	4449 ± 1.3 Å³
Cell temperature	100 ± 1 K
Ambient diffraction temperature	100 ± 1 K
Number of distinct elements	6
Space group number	14
Hermann-Mauguin space group symbol	P 1 21/c 1
Hall space group symbol	-P 2ybc
Residual factor for all reflections	0.0749
Residual factor for significantly intense reflections	0.0474
Weighted residual factors for significantly intense reflections	0.1116
Weighted residual factors for all reflections included in the refinement	0.1266
Goodness-of-fit parameter for all reflections included in the refinement	1.008
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
231923 (current)	2019-11-23	cif/ Adding structures of 4346685, 4346686, 4346687, 4346688 via cif-deposit CGI script.	4346688.cif