Crystallography Open Database

Information card for entry 7013451

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Coordinates	7013451.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C97.5 H125 Cl2 Cu N7 O14
Calculated formula	C195 H228 Cl4 Cu2 N14 O28
Title of publication	Supramolecular control of an organic radical coupled to a metal ion embedded at the entrance of a hydrophobic cavity
Authors of publication	Olivier Sénèque; Morgan Campion; Bénédicte Douziech; Michel Giorgi; Yves Le Mest; Olivia Reinaud
Journal of publication	Dalton Trans.
Year of publication	2003
Journal issue	22
Pages of publication	4216 - 4218
a	15.9658 ± 0.0003 Å
b	15.974 ± 0.0003 Å
c	22.8602 ± 0.0005 Å
α	86.132 ± 0.0007°
β	74.124 ± 0.0008°
γ	61.927 ± 0.008°
Cell volume	4935.1 ± 0.4 Å³
Cell temperature	173 ± 2 K
Ambient diffraction temperature	173 ± 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	0.1196
Residual factor for significantly intense reflections	0.092
Weighted residual factors for significantly intense reflections	0.2328
Weighted residual factors for all reflections included in the refinement	0.2589
Goodness-of-fit parameter for all reflections included in the refinement	1.052
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

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