Crystallography Open Database

Information card for entry 7128357

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Coordinates	7128357.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C108 H60 Cl6 N6 O40 Zr12
Calculated formula	C108 H60 Cl6 N6 O40 Zr12
Title of publication	Heterogeneous postassembly modification of zirconium metal-organic cages in supramolecular frameworks.
Authors of publication	Liu, Guoliang; Yang, Ziqi; Zhou, Mi; Wang, Yuxiang; Yuan, Daqiang; Zhao, Dan
Journal of publication	Chemical communications (Cambridge, England)
Year of publication	2021
Journal volume	57
Journal issue	51
Pages of publication	6276 - 6279
a	36.6049 ± 0.0006 Å
b	36.6049 ± 0.0006 Å
c	36.6049 ± 0.0006 Å
α	90°
β	90°
γ	90°
Cell volume	49047.6 ± 1.4 Å³
Cell temperature	173 ± 2 K
Ambient diffraction temperature	173 ± 2 K
Number of distinct elements	6
Space group number	225
Hermann-Mauguin space group symbol	F m -3 m
Hall space group symbol	-F 4 2 3
Residual factor for all reflections	0.1268
Residual factor for significantly intense reflections	0.0889
Weighted residual factors for significantly intense reflections	0.2618
Weighted residual factors for all reflections included in the refinement	0.3196
Goodness-of-fit parameter for all reflections included in the refinement	1.022
Diffraction radiation wavelength	1.54184 Å
Diffraction radiation type	CuKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

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