Crystallography Open Database

Information card for entry 1568428

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Coordinates	1568428.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C57 H83 Al N4 Si2
Calculated formula	C57 H83 Al N4 Si2
Title of publication	Structural snapshots of an Al-Cu bond-mediated transformation of terminal acetylenes.
Authors of publication	Liu, Han-Ying; Neale, Samuel E.; Hill, Michael S.; Mahon, Mary F.; McMullin, Claire L.
Journal of publication	Chemical science
Year of publication	2023
Journal volume	14
Journal issue	11
Pages of publication	2866 - 2876
a	16.0038 ± 0.0001 Å
b	13.5032 ± 0.0001 Å
c	25.4153 ± 0.0001 Å
α	90°
β	97.519 ± 0.001°
γ	90°
Cell volume	5445.08 ± 0.06 Å³
Cell temperature	150 ± 0.1 K
Ambient diffraction temperature	150 ± 0.1 K
Number of distinct elements	5
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	0.0452
Residual factor for significantly intense reflections	0.0395
Weighted residual factors for significantly intense reflections	0.1056
Weighted residual factors for all reflections included in the refinement	0.1104
Goodness-of-fit parameter for all reflections included in the refinement	1.012
Diffraction radiation probe	x-ray
Diffraction radiation wavelength	1.54184 Å
Diffraction radiation type	CuKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

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