Crystallography Open Database

Information card for entry 7709804

Preview

Coordinates	7709804.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C83 H116 Cu3 F36 N12 O5 P6 Si6
Calculated formula	C81.023 H107.395 Cu3 F36 N12 O3.107 P6 Si6
Title of publication	Structural properties of [Cu(II)3L6] cages: bridged polyatomic anion effects on unprecedented efficiency of heterogeneous catechol oxidation
Authors of publication	Kim, Doheon; Gwak, Geonwoo; Han, Jihun; Kim, Dongwon; Jung, Ok-Sang
Journal of publication	Dalton Transactions
Year of publication	2022
a	14.8423 ± 0.0013 Å
b	17.3694 ± 0.0016 Å
c	27.211 ± 0.002 Å
α	79.415 ± 0.001°
β	74.467 ± 0.001°
γ	70.375 ± 0.001°
Cell volume	6332.2 ± 0.9 Å³
Cell temperature	223 ± 2 K
Ambient diffraction temperature	223 ± 2 K
Number of distinct elements	8
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.1065
Residual factor for significantly intense reflections	0.0689
Weighted residual factors for significantly intense reflections	0.1923
Weighted residual factors for all reflections included in the refinement	0.2328
Goodness-of-fit parameter for all reflections included in the refinement	1.046
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

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