Crystallography Open Database

Information card for entry 7133299

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Coordinates	7133299.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C40 H41 Cl2 F9 N6 Ni2 O10 S3
Calculated formula	C40 H41 Cl2 F9 N6 Ni2 O10 S3
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	11.118 ± 0.0001 Å
b	20.6674 ± 0.0001 Å
c	21.7121 ± 0.0002 Å
α	90°
β	98.029 ± 0.001°
γ	90°
Cell volume	4940.1 ± 0.07 Å³
Cell temperature	85 K
Ambient diffraction temperature	85 K
Number of distinct elements	8
Space group number	14
Hermann-Mauguin space group symbol	P 1 21/n 1
Hall space group symbol	-P 2yn
Residual factor for all reflections	0.0449
Residual factor for significantly intense reflections	0.0443
Weighted residual factors for significantly intense reflections	0.1105
Weighted residual factors for all reflections included in the refinement	0.1116
Goodness-of-fit parameter for all reflections included in the refinement	1.114
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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