Information card for entry 7009683

Structure parameters

• Formula: C34 H40 Cl Cu2 N5 O8
• Calculated formula: C34 H40 Cl Cu2 N5 O8
• Title of publication: Formation of dinuclear macrocyclic and mononuclear acyclic complexes of a new trinucleating hexaaza triphenolic Schiff base macrocycle: structure and NLO properties
• Authors of publication: Korupoju, Srinivas R.; Mangayarkarasi, Nagarathinam; Ameerunisha, Sardar; Valente, Edward J.; Zacharias, Panthappally S.
• Journal of publication: Journal of the Chemical Society, Dalton Transactions
• Year of publication: 2000
• Journal issue: 16
• Pages of publication: 2845
• a: 16.042 ± 0.011 Å
• b: 19.769 ± 0.009 Å
• c: 12.477 ± 0.006 Å
• α: 90°
• β: 109.56 ± 0.05°
• γ: 90°
• Cell volume: 3729 ± 4 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 6
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.2134
• Residual factor for significantly intense reflections: 0.0835
• Weighted residual factors for all reflections: 0.2157
• Weighted residual factors for significantly intense reflections: 0.1809
• Goodness-of-fit parameter for all reflections: 1.221
• Goodness-of-fit parameter for significantly intense reflections: 1.742
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No