Crystallography Open Database

Information card for entry 7057571

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Coordinates	7057571.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C17 H30 Cu2 N4 O14
Calculated formula	C17 H30 Cu2 N4 O14
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	9.4758 ± 0.0014 Å
b	8.939 ± 0.0013 Å
c	28.633 ± 0.004 Å
α	90°
β	95.851 ± 0.004°
γ	90°
Cell volume	2412.7 ± 0.6 Å³
Cell temperature	293 ± 2 K
Ambient diffraction temperature	293 ± 2 K
Number of distinct elements	5
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	0.1068
Residual factor for significantly intense reflections	0.0875
Weighted residual factors for significantly intense reflections	0.1963
Weighted residual factors for all reflections included in the refinement	0.205
Goodness-of-fit parameter for all reflections included in the refinement	1.138
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

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