Information card for entry 4310631

Structure parameters

• Formula: C19.5 H18 Cl Cu N3 O2
• Calculated formula: C19.5 H18 Cl Cu N3 O2
• Title of publication: Heteroleptic Copper Dipyrromethene Complexes: Synthesis, Structure, and Coordination Polymers
• Authors of publication: Sara R. Halper; Mitchell R. Malachowski; Heather M. Delaney; Seth M. Cohen
• Journal of publication: Inorganic Chemistry
• Year of publication: 2004
• Journal volume: 43
• Pages of publication: 1242 - 1249
• a: 8.3811 ± 0.0005 Å
• b: 15.5837 ± 0.001 Å
• c: 16.5921 ± 0.0011 Å
• α: 117.52 ± 0.001°
• β: 91.737 ± 0.001°
• γ: 98.95 ± 0.001°
• Cell volume: 1885.5 ± 0.2 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 6
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0647
• Residual factor for significantly intense reflections: 0.0545
• Weighted residual factors for significantly intense reflections: 0.1472
• Weighted residual factors for all reflections included in the refinement: 0.1543
• Goodness-of-fit parameter for all reflections included in the refinement: 1.052
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No