Information card for entry 4339780

Structure parameters

• Formula: C144 H134 Mn16 N72 O63
• Calculated formula: C144 H96 Mn16 N72 O63
• Title of publication: Supramolecular self-assembled polynuclear complexes from tritopic, tetratopic, and pentatopic ligands: structural, magnetic and surface studies.
• Authors of publication: Dey, Subrata K.; Abedin, Tareque S. M.; Dawe, Louise N.; Tandon, Santokh S.; Collins, Julie L.; Thompson, Laurence K.; Postnikov, Andrei V.; Alam, Mohammad S.; Müller, Paul
• Journal of publication: Inorganic chemistry
• Year of publication: 2007
• Journal volume: 46
• Journal issue: 19
• Pages of publication: 7767 - 7781
• a: 13.27 ± 0.02 Å
• b: 21.36 ± 0.03 Å
• c: 33.87 ± 0.05 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 9600 ± 2 ų
• Cell temperature: 153 ± 2 K
• Ambient diffraction temperature: 153 ± 2 K
• Number of distinct elements: 5
• Space group number: 23
• Hermann-Mauguin space group symbol: I 2 2 2
• Hall space group symbol: I 2 2
• Residual factor for all reflections: 0.13
• Residual factor for significantly intense reflections: 0.1229
• Weighted residual factors for significantly intense reflections: 0.3582
• Weighted residual factors for all reflections included in the refinement: 0.3786
• Goodness-of-fit parameter for all reflections included in the refinement: 1.633
• Diffraction radiation wavelength: 0.7107 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No