Information card for entry 4505015

Structure parameters

• Formula: C47 H58 Cl2 Cu2 N6 O18
• Calculated formula: C47 H44 Cl2 Cu2 N6 O17.38
• Title of publication: A Unique Diamondoid Network Resulting from the Convolution of π−π Stacking and Lipophilic Interactions
• Authors of publication: Madalan, Augustin M.; Kravtsov, Victor Ch.; Simonov, Yurii A.; Voronkova, Violeta; Korobchenko, Ludmila; Avarvari, Narcis; Andruh, Marius
• Journal of publication: Crystal Growth & Design
• Year of publication: 2005
• Journal volume: 5
• Journal issue: 1
• Pages of publication: 45
• a: 23.6774 ± 0.0004 Å
• b: 23.6774 ± 0.0004 Å
• c: 9.617 ± 0.0002 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 5391.48 ± 0.17 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 2 K
• Number of distinct elements: 6
• Space group number: 86
• Hermann-Mauguin space group symbol: P 42/n :2
• Hall space group symbol: -P 4bc
• Residual factor for all reflections: 0.0891
• Residual factor for significantly intense reflections: 0.0652
• Weighted residual factors for significantly intense reflections: 0.161
• Weighted residual factors for all reflections included in the refinement: 0.1732
• Goodness-of-fit parameter for all reflections included in the refinement: 1.053
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No