Crystallography Open Database

Information card for entry 7133300

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Coordinates	7133300.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C38 H57 F3 N6 Ni2 O17 S
Calculated formula	C38 H45.0006 F3 N6 Ni2 O11 S
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	10.2519 ± 0.0003 Å
b	11.2496 ± 0.0004 Å
c	21.492 ± 0.0007 Å
α	77.624 ± 0.003°
β	79.248 ± 0.003°
γ	80.429 ± 0.003°
Cell volume	2357.88 ± 0.14 Å³
Cell temperature	85 K
Ambient diffraction temperature	85 K
Number of distinct elements	7
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.1015
Residual factor for significantly intense reflections	0.0798
Weighted residual factors for significantly intense reflections	0.2199
Weighted residual factors for all reflections included in the refinement	0.2531
Goodness-of-fit parameter for all reflections included in the refinement	1.055
Diffraction radiation probe	x-ray
Diffraction radiation wavelength	1.54184 Å
Diffraction radiation type	CuKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

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