Information card for entry 7005313

Structure parameters

• Formula: C34 H25 N22 Ni3 O0.5 S2
• Calculated formula: C34 H25 N22 Ni3 O0.5 S2
• Title of publication: New versatile ligand family, pyrazine-modulated oligo-alpha-pyridylamino ligands, from coordination polymer to extended metal atom chains.
• Authors of publication: Ismayilov, Rayyat Huseyn; Wang, Wen-Zhen; Lee, Gene-Hsiang; Wang, Rui-Ren; Liu, Isiah Po-Chun; Yeh, Chen-Yu; Peng, Shie-Ming
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2007
• Journal issue: 27
• Pages of publication: 2898 - 2907
• a: 18.4859 ± 0.0003 Å
• b: 16.6988 ± 0.0003 Å
• c: 25.1757 ± 0.0004 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 7771.5 ± 0.2 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 2 K
• Number of distinct elements: 6
• Space group number: 61
• Hermann-Mauguin space group symbol: P b c a
• Hall space group symbol: -P 2ac 2ab
• Residual factor for all reflections: 0.121
• Residual factor for significantly intense reflections: 0.0586
• Weighted residual factors for significantly intense reflections: 0.147
• Weighted residual factors for all reflections included in the refinement: 0.1808
• Goodness-of-fit parameter for all reflections included in the refinement: 1.076
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No