Information card for entry 4339785

Structure parameters

• Formula: C35 H27 Mn N13 O4
• Calculated formula: C35 H27 Mn N13 O4
• SMILES: [Mn]12345OC(=N[N]4=C(N)c4[n]5cccc4)C(=NNC(=O)c4nc(C(=O)NN=C(C(=N[N]3=C(N)c3[n]2cccc3)O1)c1ccccc1)ccc4)c1ccccc1
• 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: 15.139 ± 0.01 Å
• b: 10.791 ± 0.007 Å
• c: 21.138 ± 0.013 Å
• α: 90°
• β: 97.04 ± 0.02°
• γ: 90°
• Cell volume: 3427 ± 4 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 2 K
• Number of distinct elements: 5
• Space group number: 9
• Hermann-Mauguin space group symbol: C 1 c 1
• Hall space group symbol: C -2yc
• Residual factor for all reflections: 0.0958
• Residual factor for significantly intense reflections: 0.0883
• Weighted residual factors for significantly intense reflections: 0.2083
• Weighted residual factors for all reflections included in the refinement: 0.2174
• Goodness-of-fit parameter for all reflections included in the refinement: 1.132
• Diffraction radiation wavelength: 0.7107 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No