Information card for entry 7206170

Structure parameters

• Formula: C18 H21 Co N12 O3
• Calculated formula: C18 H21 Co N12 O3
• SMILES: [Co]123([n]4cc[nH]c4c4n1ccn4)(n1ccnc1c1[n]2cc[nH]1)[n]1cc[nH]c1c1n3ccn1.O.O.O
• Title of publication: Liquid-assisted solid-state reaction: assembly of (6,3) and (10,3) hydrogen-bonded networks based on [M(Hbiim)3] by oxidation of [M(H2biim)3]2+ complexes in the presence of acetate anions
• Authors of publication: Tan, Yu-Hui; Yang, Li-Fei; Cao, Man-Li; Wu, Jin-Ji; Ye, Bao-Hui
• Journal of publication: CrystEngComm
• Year of publication: 2011
• Journal volume: 13
• Journal issue: 14
• Pages of publication: 4512
• a: 8.1 ± 0.0008 Å
• b: 22.692 ± 0.002 Å
• c: 12.049 ± 0.0013 Å
• α: 90°
• β: 96.852 ± 0.002°
• γ: 90°
• Cell volume: 2198.9 ± 0.4 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 5
• 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: 0.0651
• Residual factor for significantly intense reflections: 0.0577
• Weighted residual factors for significantly intense reflections: 0.132
• Weighted residual factors for all reflections included in the refinement: 0.1364
• Goodness-of-fit parameter for all reflections included in the refinement: 1.011
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No