Information card for entry 7718445

Structure parameters

• Formula: C91.5 H95.5 Cl16.5 F12 Mo2 N4 O16
• Calculated formula: C91.5 H93.5 Cl16.5 F12 Mo2 N4 O16
• Title of publication: Selective synthesis of a heterotetranuclear complex from a macrocyclic ligand with multiple identical chelating units.
• Authors of publication: Seki, Kota; Nakamura, Takashi
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2025
• Journal volume: 54
• Journal issue: 15
• Pages of publication: 6034 - 6037
• a: 14.7987 ± 0.0004 Å
• b: 17.5747 ± 0.0005 Å
• c: 22.7001 ± 0.0006 Å
• α: 100.427 ± 0.001°
• β: 90.674 ± 0.001°
• γ: 107.221 ± 0.001°
• Cell volume: 5532.7 ± 0.3 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 7
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.1152
• Residual factor for significantly intense reflections: 0.09
• Weighted residual factors for significantly intense reflections: 0.2438
• Weighted residual factors for all reflections included in the refinement: 0.2775
• Goodness-of-fit parameter for all reflections included in the refinement: 1.066
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No