Crystallography Open Database

Information card for entry 7221151

Preview

Coordinates	7221151.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C41.5 H44.5 N9.5 O12.5 Zn2
Calculated formula	C41.5 H44.5 N9.5 O12.5 Zn2
Title of publication	Pillared-bilayer zinc(ii)‒organic laminae: pore modification and selective gas adsorption
Authors of publication	Lee, Li-Wei; Luo, Tzuoo-Tsair; Lo, Sheng-Han; Lee, Gene-Hsiang; Peng, Shie-Ming; Liu, Yen-Hsiang; Lee, Sheng-Long; Lu, Kuang-Lieh
Journal of publication	CrystEngComm
Year of publication	2015
Journal volume	17
Journal issue	33
Pages of publication	6320
a	16.0364 ± 0.0006 Å
b	7.6528 ± 0.0003 Å
c	35.3947 ± 0.0014 Å
α	90°
β	99.7638 ± 0.0013°
γ	90°
Cell volume	4280.8 ± 0.3 Å³
Cell temperature	150 ± 2 K
Ambient diffraction temperature	150 ± 2 K
Number of distinct elements	5
Space group number	14
Hermann-Mauguin space group symbol	P 1 21/n 1
Hall space group symbol	-P 2yn
Residual factor for all reflections	0.0852
Residual factor for significantly intense reflections	0.0518
Weighted residual factors for significantly intense reflections	0.1497
Weighted residual factors for all reflections included in the refinement	0.1744
Goodness-of-fit parameter for all reflections included in the refinement	1.022
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

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