Crystallography Open Database

Information card for entry 1575966

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Coordinates	1575966.cif
Original paper (by DOI)	HTML

Structure parameters

Chemical name	nia-d-TZB
Formula	C42 H24 Mn3 N18 O7
Calculated formula	C42 H24 Mn3 N18 O7
Title of publication	Fluorine-mediated single-step ethylene purification in face-transitive metal-organic frameworks from binary to ternary gas mixtures
Authors of publication	Zhang, Wei-Hong; Ma, Ya-Nan; Du, Guo-Tong; Wang, Ping; Xue, Dong-Xu
Journal of publication	Chemical Science
Year of publication	2025
a	17.1218 ± 0.0011 Å
b	17.1218 ± 0.0011 Å
c	19.1004 ± 0.0014 Å
α	90°
β	90°
γ	120°
Cell volume	4849.2 ± 0.6 Å³
Cell temperature	243.15 K
Ambient diffraction temperature	243.15 K
Number of distinct elements	5
Space group number	194
Hermann-Mauguin space group symbol	P 63/m m c
Hall space group symbol	-P 6c 2c
Residual factor for all reflections	0.0473
Residual factor for significantly intense reflections	0.0468
Weighted residual factors for significantly intense reflections	0.1194
Weighted residual factors for all reflections included in the refinement	0.1201
Goodness-of-fit parameter for all reflections included in the refinement	1.075
Diffraction radiation wavelength	1.54178 Å
Diffraction radiation type	CuKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

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