Information card for entry 4302117

Structure parameters

• Formula: C18 H16 N6 O2
• Calculated formula: C18 H16 N6 O2
• SMILES: c1c(cc2ccc3cc(cnc3c2n1)n1cncc1)n1cncc1.O.O
• Title of publication: Alteration of Molecular Conformations, Coordination Modes, and Architectures for a Novel 3,8-Diimidazol-1,10-phenanthroline Compound in the Construction of Cadmium(II) and Zinc(II) Homochiral Coordination Polymers Involving an Auxiliary Chiral Camphorate Ligand
• Authors of publication: Li Wang; Wei You; Wei Huang; Cheng Wang; Xiao-Zeng You
• Journal of publication: Inorganic Chemistry
• Year of publication: 2009
• Journal volume: 48
• Pages of publication: 4295 - 4305
• a: 7.1935 ± 0.001 Å
• b: 8.4279 ± 0.0011 Å
• c: 14.0808 ± 0.0019 Å
• α: 87.277 ± 0.002°
• β: 81.357 ± 0.001°
• γ: 73.104 ± 0.002°
• Cell volume: 807.53 ± 0.19 ų
• Cell temperature: 291 ± 2 K
• Ambient diffraction temperature: 291 ± 2 K
• Number of distinct elements: 4
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.1047
• Residual factor for significantly intense reflections: 0.0451
• Weighted residual factors for significantly intense reflections: 0.0898
• Weighted residual factors for all reflections included in the refinement: 0.1067
• Goodness-of-fit parameter for all reflections included in the refinement: 0.783
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No