Crystallography Open Database

Information card for entry 1542405

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Coordinates	1542405.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C14 H27 Cu N2 O9
Calculated formula	C14 H27 Cu N2 O9
Title of publication	New aqua-soluble dicopper(ii) aminoalcoholate cores for mild and water-assisted catalytic oxidation of alkanes
Authors of publication	Fernandes, Tiago A.; Santos, Carla I. M.; André, Vânia; Dias, Sara S. P.; Kirillova, Marina V.; Kirillov, Alexander M.
Journal of publication	Catal. Sci. Technol.
Year of publication	2016
Journal volume	6
Journal issue	12
Pages of publication	4584
a	9.2907 ± 0.0005 Å
b	13.3305 ± 0.0006 Å
c	15.2281 ± 0.0007 Å
α	90°
β	107.358 ± 0.002°
γ	90°
Cell volume	1800.11 ± 0.15 Å³
Cell temperature	273 ± 2 K
Ambient diffraction temperature	273 ± 2 K
Number of distinct elements	5
Space group number	14
Hermann-Mauguin space group symbol	P 1 21/c 1
Hall space group symbol	-P 2ybc
Residual factor for all reflections	0.0719
Residual factor for significantly intense reflections	0.0524
Weighted residual factors for significantly intense reflections	0.1452
Weighted residual factors for all reflections included in the refinement	0.1587
Goodness-of-fit parameter for all reflections included in the refinement	1.049
Diffraction radiation wavelength	0.71069 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

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