Information card for entry 4339781

Structure parameters

• Formula: C17 H20 Cu2 N10 O12
• Calculated formula: C17 H16 Cu2 N10 O12
• SMILES: [Cu]123([OH][Cu]45[n]6c(C=[N]5NC(=O)c5[n]4n3c(C(=O)N[N]2=Cc2[n]1cccc2)c5)cccc6)ON(=O)=O.O=N(=O)[O-].O.O.O
• 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: 25.238 ± 0.003 Å
• b: 13.5859 ± 0.0016 Å
• c: 14.2674 ± 0.0017 Å
• α: 90°
• β: 93.864 ± 0.003°
• γ: 90°
• Cell volume: 4880.9 ± 1 ų
• Cell temperature: 153 ± 2 K
• Ambient diffraction temperature: 153 ± 2 K
• Number of distinct elements: 5
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for all reflections: 0.0559
• Residual factor for significantly intense reflections: 0.0524
• Weighted residual factors for significantly intense reflections: 0.1393
• Weighted residual factors for all reflections included in the refinement: 0.1429
• Goodness-of-fit parameter for all reflections included in the refinement: 1.114
• Diffraction radiation wavelength: 0.7107 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No