Crystallography Open Database

Information card for entry 7057922

Preview

Coordinates	7057922.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C52.5 H65.5 N16 O17.5 Zn4
Calculated formula	C33 H15 N9 O12 Zn4
Title of publication	Controllable synthesis of isoreticular pillared-layer MOFs based on N-rich triangular prism building units: gas adsorption and luminescent properties
Authors of publication	Xie, Wei; Yao, Chan; Shao, Kui-Zhan; Xu, Yan-Hong; Su, Zhong-Min
Journal of publication	New Journal of Chemistry
Year of publication	2018
Journal volume	42
Journal issue	24
Pages of publication	20056
a	20.054 ± 0.003 Å
b	20.054 ± 0.003 Å
c	30.43 ± 0.005 Å
α	90°
β	90°
γ	120°
Cell volume	10598 ± 3 Å³
Cell temperature	292 ± 2 K
Ambient diffraction temperature	292.54 K
Number of distinct elements	5
Space group number	176
Hermann-Mauguin space group symbol	P 63/m
Hall space group symbol	-P 6c
Residual factor for all reflections	0.0459
Residual factor for significantly intense reflections	0.0348
Weighted residual factors for significantly intense reflections	0.085
Weighted residual factors for all reflections included in the refinement	0.0915
Goodness-of-fit parameter for all reflections included in the refinement	1.04
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

For the version history of this entry, please navigate to main COD server.
The link is: https://www.crystallography.net/7057922.html