Crystallography Open Database

Information card for entry 7133301

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Coordinates	7133301.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C74 H82 F6 N12 Ni4 O12 S2
Calculated formula	C74 H82 F6 N12 Ni4 O12 S2
Title of publication	A dinuclear nickel peroxycarbonate complex: CO<sub>2</sub> addition promotes H<sub>2</sub>O<sub>2</sub> release.
Authors of publication	Lillo, Hayley L.; Buss, Joshua A.
Journal of publication	Chemical communications (Cambridge, England)
Year of publication	2024
Journal volume	60
Journal issue	65
Pages of publication	8549 - 8552
a	13.7338 ± 0.0004 Å
b	18.9753 ± 0.0005 Å
c	33.797 ± 0.0012 Å
α	90°
β	90°
γ	90°
Cell volume	8807.6 ± 0.5 Å³
Cell temperature	85 K
Ambient diffraction temperature	85 K
Number of distinct elements	7
Space group number	19
Hermann-Mauguin space group symbol	P 21 21 21
Hall space group symbol	P 2ac 2ab
Residual factor for all reflections	0.089
Residual factor for significantly intense reflections	0.0795
Weighted residual factors for significantly intense reflections	0.2111
Weighted residual factors for all reflections included in the refinement	0.2216
Goodness-of-fit parameter for all reflections included in the refinement	1.049
Diffraction radiation probe	x-ray
Diffraction radiation wavelength	1.54178 Å
Diffraction radiation type	CuKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

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