Crystallography Open Database

Information card for entry 7708444

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Coordinates	7708444.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C74 H105 Br16 Cu6 N14 O23
Calculated formula	C74 H96 Br16 Cu6 N14 O20
Title of publication	Proton controlled synthesis of two dicopper(II) complexes and their magnetic and biomimetic catalytic studies along with probing the binding mode of the substrate to the metal centre
Authors of publication	Jana, Narayan Ch.; Ghorai, Pravat; Brandão, Paula; Jaglicic, Zvonko; Panja, Anangamohan
Journal of publication	Dalton Transactions
Year of publication	2021
a	12.631 ± 0.015 Å
b	14.08 ± 0.02 Å
c	15.56 ± 0.02 Å
α	77.86 ± 0.05°
β	70.99 ± 0.05°
γ	76.97 ± 0.05°
Cell volume	2521 ± 6 Å³
Cell temperature	150 ± 2 K
Ambient diffraction temperature	150 ± 2 K
Number of distinct elements	6
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.0513
Residual factor for significantly intense reflections	0.0369
Weighted residual factors for significantly intense reflections	0.0742
Weighted residual factors for all reflections included in the refinement	0.0809
Goodness-of-fit parameter for all reflections included in the refinement	1.105
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

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