Crystallography Open Database

Information card for entry 7115815

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Coordinates	7115815.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C80 H104 Cu N26 O14
Calculated formula	C80 H104 Cu N26 O14
Title of publication	Highly interlocked anion-bridged supramolecular networks from interrupted imidazole-urea gels
Authors of publication	Samuel J. James; Andrea Perrin; Christopher D. Jones; Dmitry S. Yufit; Jonathan W. Steed
Journal of publication	Chem.Commun.
Year of publication	2014
Journal volume	50
Pages of publication	12851
a	13.1 ± 0.0007 Å
b	13.3909 ± 0.0007 Å
c	13.441 ± 0.0006 Å
α	75.123 ± 0.004°
β	77.751 ± 0.004°
γ	74.712 ± 0.004°
Cell volume	2171.6 ± 0.2 Å³
Cell temperature	120 K
Ambient diffraction temperature	120 K
Number of distinct elements	5
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.0729
Residual factor for significantly intense reflections	0.0566
Weighted residual factors for significantly intense reflections	0.1452
Weighted residual factors for all reflections included in the refinement	0.1563
Goodness-of-fit parameter for all reflections included in the refinement	1.062
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

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