Crystallography Open Database

Information card for entry 4334345

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Coordinates	4334345.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C119 H111 N21 O32 Zn4
Calculated formula	C119 H105 N21 O32 Zn4
Title of publication	Cooperative Effect of Unsheltered Amide Groups on CO2 Adsorption Inside Open-Ended Channels of a Zinc(II)-Organic Framework
Authors of publication	Cheng-Hua Lee; Hung-Yu Huang; Yen-Hsiang Liu; Tzuoo-Tsair Luo; Gene-Hsiang Lee; Shie-Ming Peng; Jyh-Chiang Jiang; Ito Chao; Kuang-Lieh Lu
Journal of publication	Inorganic Chemistry
Year of publication	2013
Journal volume	52
Pages of publication	3962 - 3968
a	20.1818 ± 0.0003 Å
b	30.2868 ± 0.0005 Å
c	19.7451 ± 0.0003 Å
α	90°
β	90.688 ± 0.0006°
γ	90°
Cell volume	12068.2 ± 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/c 1
Hall space group symbol	-P 2ybc
Residual factor for all reflections	0.13
Residual factor for significantly intense reflections	0.1169
Weighted residual factors for significantly intense reflections	0.3184
Weighted residual factors for all reflections included in the refinement	0.3263
Goodness-of-fit parameter for all reflections included in the refinement	1.385
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

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