Crystallography Open Database

Information card for entry 7039525

Preview

Coordinates	7039525.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C47 H41 Al F15 Ga N2
Calculated formula	C47 H41 Al F15 Ga N2
SMILES	[Ga]1(N(C(=CC(=[N]1c1c(cccc1C(C)C)C(C)C)C)C)c1c(cccc1C(C)C)C(C)C)[Al](c1c(F)c(F)c(F)c(F)c1F)(c1c(F)c(F)c(F)c(F)c1F)c1c(F)c(F)c(F)c(F)c1F
Title of publication	Lewis acid-base adducts of group 13 elements: synthesis, structure and reactivity toward benzaldehyde.
Authors of publication	Ganesamoorthy, C.; Matthias, M.; Bläser, D; Wölper, C; Schulz, S.
Journal of publication	Dalton transactions (Cambridge, England : 2003)
Year of publication	2016
Journal volume	45
Journal issue	28
Pages of publication	11437 - 11444
a	12.1325 ± 0.0011 Å
b	21.616 ± 0.002 Å
c	17.5035 ± 0.0015 Å
α	90°
β	102.705 ± 0.004°
γ	90°
Cell volume	4478 ± 0.7 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/n 1
Hall space group symbol	-P 2yn
Residual factor for all reflections	0.0345
Residual factor for significantly intense reflections	0.0282
Weighted residual factors for significantly intense reflections	0.0729
Weighted residual factors for all reflections included in the refinement	0.077
Goodness-of-fit parameter for all reflections included in the refinement	1.034
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
185494 (current)	2016-08-07	cif/ Updating files of 7039525, 7039526, 7039527, 7039528 Original log message: Adding full bibliography for 7039525--7039528.cif.	7039525.cif
183509	2016-06-16	cif/ Adding structures of 7039525, 7039526, 7039527, 7039528 via cif-deposit CGI script.	7039525.cif