Crystallography Open Database

Information card for entry 4118911

Preview

Coordinates	4118911.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C9 H16 N9 O2.5 Zn
Calculated formula	C9 H15 N9 O2.50333 Zn
Title of publication	Multipoint Interactions Enhanced CO2 Uptake: A Zeolite-like Zinc-Tetrazole Framework with 24-Nuclear Zinc Cages
Authors of publication	Ping Cui; Yu-Guang Ma; Huan-Huan Li; Bin Zhao; Jian-Rong Li; Peng Cheng; Perla B. Balbuena; Hong-Cai Zhou
Journal of publication	Journal of the American Chemical Society
Year of publication	2012
Journal volume	134
Pages of publication	18892 - 18895
a	24.99 ± 0.004 Å
b	24.99 ± 0.004 Å
c	13.0478 ± 0.0016 Å
α	90°
β	90°
γ	120°
Cell volume	7056.7 ± 1.8 Å³
Cell temperature	120 ± 2 K
Ambient diffraction temperature	120 ± 2 K
Number of distinct elements	5
Space group number	148
Hermann-Mauguin space group symbol	R -3 :H
Hall space group symbol	-R 3
Residual factor for all reflections	0.07
Residual factor for significantly intense reflections	0.0498
Weighted residual factors for significantly intense reflections	0.1499
Weighted residual factors for all reflections included in the refinement	0.1555
Goodness-of-fit parameter for all reflections included in the refinement	1.069
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

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