Crystallography Open Database

Information card for entry 7251544

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Coordinates	7251544.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C34 H32 Cl2 N2 O6
Calculated formula	C34 H32 Cl2 N2 O6
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	10.9858 ± 0.0006 Å
b	11.9858 ± 0.0006 Å
c	13.2917 ± 0.0007 Å
α	84.1988 ± 0.0019°
β	82.2922 ± 0.0019°
γ	62.8753 ± 0.0017°
Cell volume	1542.02 ± 0.14 Å³
Cell temperature	135.8 K
Ambient diffraction temperature	135.8 K
Number of distinct elements	5
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.0657
Residual factor for significantly intense reflections	0.0472
Weighted residual factors for significantly intense reflections	0.1053
Weighted residual factors for all reflections included in the refinement	0.1173
Goodness-of-fit parameter for all reflections included in the refinement	1.0495
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

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