Crystallography Open Database

Information card for entry 1570620

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Coordinates	1570620.cif
Original paper (by DOI)	HTML

Structure parameters

Common name	Zr-BPT
Formula	C60.33 H36.33 O64.66 Zr12
Calculated formula	C60.33 H36.33 O64.66 Zr12
Title of publication	A novel threefold interpenetrated zirconium metal-organic framework exhibiting separation ability for strong acids.
Authors of publication	Shiraishi, Kyoko; Otsubo, Kazuya; Kato, Kenichi; Sadakiyo, Masaaki
Journal of publication	Chemical science
Year of publication	2024
Journal volume	15
Journal issue	4
Pages of publication	1441 - 1448
a	26.659 ± 0.001 Å
b	26.659 ± 0.001 Å
c	10.103 ± 0.0004 Å
α	90°
β	90°
γ	120°
Cell volume	6218.3 ± 0.4 Å³
Cell temperature	298 ± 2 K
Ambient diffraction temperature	298 ± 2 K
Number of distinct elements	4
Space group number	162
Hermann-Mauguin space group symbol	P -3 1 m
Hall space group symbol	-P 3 2
Residual factor for all reflections	0.02075
RFsqd	0.02075
Residual factor R(I) for significantly intense reflections	0.04695
Goodness-of-fit parameter for all reflections	2.8194
Method of determination	powder diffraction
Diffraction radiation wavelength	0.8001 Å
Diffraction radiation type	synchrotronradiation
Has coordinates	Yes
Has disorder	No
Has F_obs	No

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