Crystallography Open Database

Information card for entry 7057573

Preview

Coordinates	7057573.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C34 H60 Cl4 Cu4 N4 O32
Calculated formula	C34 H58 Cl4 Cu4 N4 O32
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	13.616 ± 0.003 Å
b	14.129 ± 0.003 Å
c	15.755 ± 0.004 Å
α	105.525 ± 0.006°
β	94.758 ± 0.006°
γ	112.669 ± 0.006°
Cell volume	2635.1 ± 1.1 Å³
Cell temperature	293 ± 2 K
Ambient diffraction temperature	293 ± 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	0.044
Residual factor for significantly intense reflections	0.0372
Weighted residual factors for significantly intense reflections	0.1009
Weighted residual factors for all reflections included in the refinement	0.1053
Goodness-of-fit parameter for all reflections included in the refinement	1.04
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

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