Information card for entry 7101550

Structure parameters

• Formula: C55 H63 Cl N8 O3 Pd
• Calculated formula: C45 H42 Cl N7 O2 Pd
• Title of publication: Mono-palladium(II) complexes of diamidopyridine-dipyrromethane hybrid macrocycles.
• Authors of publication: J.L.Sessler; E.Katayev; V.Lynch; Y.Ustynyuk
• Journal of publication: Chemical Communications
• Year of publication: 2006
• Journal issue: 45
• a: 35.3431 ± 0.0008 Å
• b: 16.0453 ± 0.0006 Å
• c: 21.7368 ± 0.0007 Å
• α: 90°
• β: 127.27 ± 0.002°
• γ: 90°
• Cell volume: 9809.5 ± 0.5 ų
• Cell temperature: 153 ± 2 K
• Ambient diffraction temperature: 153 ± 2 K
• Number of distinct elements: 6
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for all reflections: 0.1563
• Residual factor for significantly intense reflections: 0.0687
• Weighted residual factors for significantly intense reflections: 0.1419
• Weighted residual factors for all reflections included in the refinement: 0.1578
• Goodness-of-fit parameter for all reflections included in the refinement: 1.045
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No