Crystallography Open Database

Information card for entry 7229332

Preview

Coordinates	7229332.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C34 H56 Al2 N2 O6
Calculated formula	C34 H56 Al2 N2 O6
SMILES	[Al]1234OCC[N]1(CC(C)(C)[O]4[Al]145[N](CC(C)(C)[O]31)(CCO4)CC(O5)(C)C)CC(O2)(C)C.c1(ccccc1)C.c1(ccccc1)C
Title of publication	Dimeric alumatranes as catalysts for trimethylsilylcyanation reaction
Authors of publication	Kim, Yoseph; Lee, Kang Mun; Kim, So Han; Moon, Jung Hee; Kim, Youngjo
Journal of publication	RSC Adv.
Year of publication	2017
Journal volume	7
Journal issue	76
Pages of publication	48151
a	13.6533 ± 0.0006 Å
b	14.1939 ± 0.0006 Å
c	18.853 ± 0.0008 Å
α	90°
β	98.997 ± 0.002°
γ	90°
Cell volume	3608.6 ± 0.3 Å³
Cell temperature	296 ± 2 K
Ambient diffraction temperature	296 ± 2 K
Number of distinct elements	5
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	0.1053
Residual factor for significantly intense reflections	0.0579
Weighted residual factors for significantly intense reflections	0.1526
Weighted residual factors for all reflections included in the refinement	0.1868
Goodness-of-fit parameter for all reflections included in the refinement	1.017
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
211691 (current)	2018-10-29	cif/7: Fixing Z values and formulae	7229332.cif
202015	2017-10-14	cif/ Adding structures of 7229330, 7229331, 7229332 via cif-deposit CGI script.	7229332.cif