Crystallography Open Database

Information card for entry 4004054

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Coordinates	4004054.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C45 H46 Co6 O34
Calculated formula	C45 H46 Co6 O34
Title of publication	Flexibility of a Metal–Organic Framework Enhances Gas Separation and Enables Quantum Sieving
Authors of publication	Qazvini, Omid T.; Scott, Victoria-Jayne; Bondorf, Linda; Ducamp, Maxime; Hirscher, Michael; Coudert, François-Xavier; Telfer, Shane G.
Journal of publication	Chemistry of Materials
Year of publication	2021
Journal volume	33
Journal issue	22
Pages of publication	8886 - 8894
a	22.57 ± 0.05 Å
b	28.68 ± 0.06 Å
c	10.94 ± 0.03 Å
α	90°
β	90°
γ	90°
Cell volume	7082 ± 3 Å³
Cell temperature	293 ± 2 K
Ambient diffraction temperature	293 K
Number of distinct elements	4
Space group number	18
Hermann-Mauguin space group symbol	P 21 21 2
Hall space group symbol	P 2 2ab
Residual factor for all reflections	0.1463
Residual factor for significantly intense reflections	0.1107
Weighted residual factors for significantly intense reflections	0.2647
Weighted residual factors for all reflections included in the refinement	0.2985
Goodness-of-fit parameter for all reflections included in the refinement	1.099
Diffraction radiation wavelength	1.54178 Å
Diffraction radiation type	CuKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

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