Crystallography Open Database

Information card for entry 7720258

7720257 << 7720258 >> 7720259

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Coordinates	7720258.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C54 H54 Cu2.5 F7.5 N18 Ti1.25
Calculated formula	C54 H54 Cu2.5 F7.5 N18 Ti1.25
Title of publication	Formation and tuning of pillar porous-layered framework to pillar double-channelled framework
Authors of publication	Liu, Shuang; Yu, Chunze; Geng, Sidan; Duan, Jingui
Journal of publication	Dalton Transactions
Year of publication	2026
a	44.4981 ± 0.001 Å
b	44.4981 ± 0.001 Å
c	12.974 ± 0.0006 Å
α	90°
β	90°
γ	90°
Cell volume	25689.6 ± 1.4 Å³
Cell temperature	293 ± 2 K
Ambient diffraction temperature	293 ± 2 K
Number of distinct elements	6
Space group number	128
Hermann-Mauguin space group symbol	P 4/m n c
Hall space group symbol	-P 4 2n
Residual factor for all reflections	0.1364
Residual factor for significantly intense reflections	0.1053
Weighted residual factors for significantly intense reflections	0.2786
Weighted residual factors for all reflections included in the refinement	0.2979
Goodness-of-fit parameter for all reflections included in the refinement	1.092
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

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