Crystallography Open Database

Information card for entry 7251545

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Coordinates	7251545.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C282 H342 N12 O75 Zn6
Calculated formula	C282 H342.02 N12 O75 Zn6
Title of publication	A dynamic pcu MOF(Zn) containing a ditopic T-shaped [2]rotaxane linker
Authors of publication	Amarne, Hazem; Stirk, Alexander J.; O'Keefe, Christopher A.; Schurko, Robert W.; Loeb, Stephen J.
Journal of publication	CrystEngComm
Year of publication	2026
Journal volume	28
Journal issue	3
Pages of publication	631 - 634
a	25.8311 ± 0.0005 Å
b	25.8311 ± 0.0005 Å
c	44.9688 ± 0.0014 Å
α	90°
β	90°
γ	120°
Cell volume	25985.3 ± 1.1 Å³
Cell temperature	170 K
Ambient diffraction temperature	170 K
Number of distinct elements	5
Space group number	148
Hermann-Mauguin space group symbol	R -3 :H
Hall space group symbol	-R 3
Residual factor for all reflections	0.1257
Residual factor for significantly intense reflections	0.1224
Weighted residual factors for significantly intense reflections	0.3411
Weighted residual factors for all reflections included in the refinement	0.3494
Goodness-of-fit parameter for all reflections included in the refinement	1.774
Diffraction radiation wavelength	1.54178 Å
Diffraction radiation type	CuKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

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