Information card for entry 4339786

Structure parameters

• Formula: C18 H18 N12
• Calculated formula: C18 H18 N12
• SMILES: n1ccccc1C(N)=NN=C(N)c1nnc(cc1)C(N)=NN=C(N)c1ncccc1
• 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: 7.0375 ± 0.0009 Å
• b: 27.752 ± 0.004 Å
• c: 9.9941 ± 0.0014 Å
• α: 90°
• β: 97.328 ± 0.004°
• γ: 90°
• Cell volume: 1936 ± 0.5 ų
• Cell temperature: 153 ± 2 K
• Ambient diffraction temperature: 153 ± 2 K
• Number of distinct elements: 3
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.0484
• Residual factor for significantly intense reflections: 0.0453
• Weighted residual factors for significantly intense reflections: 0.1177
• Weighted residual factors for all reflections included in the refinement: 0.121
• Goodness-of-fit parameter for all reflections included in the refinement: 1.08
• Diffraction radiation wavelength: 0.7107 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No