Information card for entry 4350580

Structure parameters

• Formula: C12 H18 Cl Cu0.67 N3.67 O4
• Calculated formula: C12 H18 Cl Cu0.666667 N3.66667 O4
• Title of publication: A perfect linear Cu-NNN-Cu unit inside the cryptand cavity and perchlorate entrapment within the channel formed by the cascade complex.
• Authors of publication: Ravikumar, I.; Suresh, E.; Ghosh, Pradyut
• Journal of publication: Inorganic chemistry
• Year of publication: 2006
• Journal volume: 45
• Journal issue: 25
• Pages of publication: 10046 - 10048
• a: 9.7683 ± 0.0004 Å
• b: 9.7683 ± 0.0004 Å
• c: 25.864 ± 0.002 Å
• α: 90°
• β: 90°
• γ: 120°
• Cell volume: 2137.3 ± 0.2 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 6
• Space group number: 163
• Hermann-Mauguin space group symbol: P -3 1 c
• Hall space group symbol: -P 3 2c
• Residual factor for all reflections: 0.0697
• Residual factor for significantly intense reflections: 0.0654
• Weighted residual factors for significantly intense reflections: 0.1508
• Weighted residual factors for all reflections included in the refinement: 0.1529
• Goodness-of-fit parameter for all reflections included in the refinement: 1.137
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No