Information card for entry 2242965

Structure parameters

• Chemical name: 2^10^,2^20^-Bis(2,6-dichlorophenyl)-4,7,12,15-tetraoxa-2(5,15)-nickel(II)porpyhrina-1,3(1,2)-dibenzena-cycloheptadecaphane-9-yne dichloromethane monosolvate
• Formula: C53 H36 Cl6 N4 Ni O4
• Calculated formula: C53 H36 Cl6 N4 Ni O4
• Title of publication: Crystal structure of 2^10^,2^20^-bis(2,6-dichlorophenyl)-4,7,12,15-tetraoxa-2(5,15)-nickel(II)porpyhrina-1,3(1,2)-dibenzena-cycloheptadecaphane-9-yne dichloromethane monosolvate
• Authors of publication: Peters, Morten K.; Näther, Christian; Herges, Rainer
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2019
• Journal volume: 75
• Journal issue: 6
• Pages of publication: 925 - 929
• a: 15.4185 ± 0.0003 Å
• b: 24.9658 ± 0.0004 Å
• c: 24.3053 ± 0.0005 Å
• α: 90°
• β: 90.039 ± 0.002°
• γ: 90°
• Cell volume: 9356 ± 0.3 ų
• Cell temperature: 170 ± 2 K
• Ambient diffraction temperature: 170 ± 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: 0.048
• Residual factor for significantly intense reflections: 0.0404
• Weighted residual factors for significantly intense reflections: 0.1023
• Weighted residual factors for all reflections included in the refinement: 0.1062
• Goodness-of-fit parameter for all reflections included in the refinement: 1.048
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: Yes