Information card for entry 7038120

Structure parameters

• Formula: C70.28 H64.28 B2 Cl6.84 N4 Zn
• Calculated formula: C70.28 H64.28 B2 Cl6.84 N4 Zn
• Title of publication: Multiple emissive triarylborane-A2H2 and triarylborane-Zn-A2H2 porphyrin conjugates.
• Authors of publication: P, Chinna Ayya Swamy; Thilagar, Pakkirisamy
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2016
• Journal volume: 45
• Journal issue: 11
• Pages of publication: 4688 - 4696
• a: 8.2118 ± 0.001 Å
• b: 14.887 ± 0.0017 Å
• c: 15.0508 ± 0.0018 Å
• α: 68.791 ± 0.006°
• β: 84.145 ± 0.007°
• γ: 75.664 ± 0.006°
• Cell volume: 1661.7 ± 0.4 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: 0.1285
• Residual factor for significantly intense reflections: 0.0748
• Weighted residual factors for significantly intense reflections: 0.1999
• Weighted residual factors for all reflections included in the refinement: 0.2321
• Goodness-of-fit parameter for all reflections included in the refinement: 1.0778
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No