Crystallography Open Database

Information card for entry 1575870

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Coordinates	1575870.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C36 H33 N9 O6
Calculated formula	C36 H33 N9 O6
Title of publication	Cooperative reversible assembly in triply interlocked Al<sub>6</sub>L<sub>4</sub> and Ga<sub>6</sub>L<sub>4</sub> cages.
Authors of publication	Izquierdo, Ignacio; Martínez-Castro, Laura; Ujaque, Gregori; Martínez-Martínez, Antonio J
Journal of publication	Chemical science
Year of publication	2025
Journal volume	16
Journal issue	43
Pages of publication	20406 - 20413
a	10.3821 ± 0.0002 Å
b	27.7393 ± 0.0005 Å
c	11.5669 ± 0.0002 Å
α	90°
β	102.05 ± 0.001°
γ	90°
Cell volume	3257.78 ± 0.1 Å³
Cell temperature	100 K
Ambient diffraction temperature	100 K
Number of distinct elements	4
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	0.0654
Residual factor for significantly intense reflections	0.0593
Weighted residual factors for significantly intense reflections	0.1491
Weighted residual factors for all reflections included in the refinement	0.1533
Goodness-of-fit parameter for all reflections included in the refinement	1.127
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

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