Crystallography Open Database

Information card for entry 7057572

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Coordinates	7057572.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C46 H52 Cu5 F18 N4 O24
Calculated formula	C46 H52 Cu5 F18 N4 O24
Title of publication	A family of [Cu2], [Cu4] and [Cu5] aggregates: alteration of reaction conditions, ancillary bridges and capping anions
Authors of publication	Das, Manisha; Craig, Gavin A.; Escudero, Daniel; Murrie, Mark; Frontera, Antonio; Ray, Debashis
Journal of publication	New Journal of Chemistry
Year of publication	2018
Journal volume	42
Journal issue	17
Pages of publication	14349
a	14.113 ± 0.0014 Å
b	17.8567 ± 0.0018 Å
c	12.474 ± 0.0012 Å
α	90°
β	107.507 ± 0.003°
γ	90°
Cell volume	2998 ± 0.5 Å³
Cell temperature	293 ± 2 K
Ambient diffraction temperature	293 ± 2 K
Number of distinct elements	6
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	0.0745
Residual factor for significantly intense reflections	0.0576
Weighted residual factors for significantly intense reflections	0.1561
Weighted residual factors for all reflections included in the refinement	0.1679
Goodness-of-fit parameter for all reflections included in the refinement	1.069
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

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