Information card for entry 4505407

Structure parameters

• Formula: C24.5 H17.5 Br2 Cl4.5 N2
• Calculated formula: C24.5 H17.5 Br2 Cl4.5 N2
• Title of publication: Role of Double C−H···N Weak Hydrogen Bonding Motifs inN-Heteroaromatic Inclusion Chemistry
• Authors of publication: Alshahateet, Solhe F.; Bishop, Roger; Craig, Donald C.; Scudder, Marcia L.
• Journal of publication: Crystal Growth & Design
• Year of publication: 2004
• Journal volume: 4
• Journal issue: 4
• Pages of publication: 837
• a: 31.682 ± 0.009 Å
• b: 10.403 ± 0.005 Å
• c: 16.961 ± 0.008 Å
• α: 90°
• β: 112.5 ± 0.03°
• γ: 90°
• Cell volume: 5165 ± 4 ų
• Cell temperature: 294 K
• Number of distinct elements: 5
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for significantly intense reflections: 0.049
• Weighted residual factors for all reflections included in the refinement: 0.062
• Goodness-of-fit parameter for all reflections included in the refinement: 1.45
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No