Information card for entry 7122558

Structure parameters

• Formula: C36 H30 Cl N3 O Zn
• Calculated formula: C36 H30 Cl N3 O Zn
• Title of publication: Synthesis and reactivity of aza-dipyrrin alkali metal salts.
• Authors of publication: Diaz-Rodriguez, Roberto M; Robertson, Katherine N.; Thompson, Alison
• Journal of publication: Chemical communications (Cambridge, England)
• Year of publication: 2018
• Journal volume: 54
• Journal issue: 93
• Pages of publication: 13139 - 13142
• a: 8.3304 ± 0.0013 Å
• b: 13.73 ± 0.002 Å
• c: 26.735 ± 0.004 Å
• α: 103.459 ± 0.002°
• β: 92.281 ± 0.002°
• γ: 97.662 ± 0.002°
• Cell volume: 2939.4 ± 0.8 ų
• Cell temperature: 125 ± 2 K
• Ambient diffraction temperature: 125 ± 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: 0.1428
• Residual factor for significantly intense reflections: 0.0589
• Weighted residual factors for significantly intense reflections: 0.095
• Weighted residual factors for all reflections included in the refinement: 0.1182
• Goodness-of-fit parameter for all reflections included in the refinement: 0.97
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No