Information card for entry 1554044

Structure parameters

• Formula: C10 H14 Co N8 O2
• Calculated formula: C10 H14 Co N8 O2
• SMILES: [Co]1([O]=CN(C)C)(N=C=NC#[N][Co]([O]=CN(C)C)(N=C=NC#N)(N=C=NC#N)([O]=CN(C)C)N=C=NC#[N]1)[O]=CN(C)C
• Title of publication: On the Importance of Noncovalent Carbon-Bonding Interactions in the Stabilization of a 1D Co(II) Polymeric Chain as a Precursor of a Novel 2D Coordination Polymer.
• Authors of publication: Pal, Pampi; Konar, Saugata; Lama, Prem; Das, Kinsuk; Bauzá, Antonio; Frontera, Antonio; Mukhopadhyay, Subrata
• Journal of publication: The journal of physical chemistry. B
• Year of publication: 2016
• Journal volume: 120
• Journal issue: 27
• Pages of publication: 6803 - 6811
• a: 6.4415 ± 0.0005 Å
• b: 7.3787 ± 0.0006 Å
• c: 8.5998 ± 0.0008 Å
• α: 105.661 ± 0.004°
• β: 107.985 ± 0.003°
• γ: 96.254 ± 0.003°
• Cell volume: 366 ± 0.05 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 5
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0378
• Residual factor for significantly intense reflections: 0.0376
• Weighted residual factors for significantly intense reflections: 0.1269
• Weighted residual factors for all reflections included in the refinement: 0.1271
• Goodness-of-fit parameter for all reflections included in the refinement: 1.126
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No