Crystallography Open Database

Information card for entry 1575953

Preview

Coordinates	1575953.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C16 H21 B10 N2 O6 Zn
Calculated formula	C16 H21 B10 N2 O6 Zn
Title of publication	Moderately polarized carborane-MOF with inverse C<sub>2</sub> selectivity for one-step polymer-grade ethylene purification.
Authors of publication	Liu, Changhong; Xiong, Guangzu; Wang, Yuzhe; Yang, Wenlei; Yuan, Yiwen; Wang, Hui; Wang, Lingyao; Zhang, Yuanbin
Journal of publication	Materials horizons
Year of publication	2026
Journal volume	13
Journal issue	1
Pages of publication	473 - 479
a	13.7374 ± 0.0016 Å
b	12.6237 ± 0.0015 Å
c	15.635 ± 0.0019 Å
α	90°
β	90°
γ	90°
Cell volume	2711.4 ± 0.6 Å³
Cell temperature	293 ± 2 K
Ambient diffraction temperature	293 ± 2 K
Number of distinct elements	6
Space group number	52
Hermann-Mauguin space group symbol	P n n a
Hall space group symbol	-P 2a 2bc
Residual factor for all reflections	0.1566
Residual factor for significantly intense reflections	0.1224
Weighted residual factors for significantly intense reflections	0.3194
Weighted residual factors for all reflections included in the refinement	0.3468
Goodness-of-fit parameter for all reflections included in the refinement	1.113
Diffraction radiation wavelength	0.6888 Å
Diffraction radiation type	synchrotron
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

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