Information card for entry 7050324

Structure parameters

• Formula: C48 H48 Co3 N12 O8
• Calculated formula: C48 H48 Co3 N12 O8
• Title of publication: Synthesis, crystal structure and magnetic behavior of three polynuclear complexes, [Co(pyo)2(dca)2]n, [Co3(ac)4(bpe)3(dca)2]n and [{Co(male)(H2O)2}(H2O)]n (pyo, pyridine-N-oxide; dca, dicyanamide; ac, acetate; bpe, 1,2-bis-(4-pyridyl)ethane and male, maleate)
• Authors of publication: Nirmalendu Ray Chaudhuri; Debajyoti Ghoshal; Tian-Huey Lu; Tapas Kumar Maji; Golam Mostafa; Joan Ribas; E.Zangrando
• Journal of publication: New J.Chem.(Nouv.J.Chim.)
• Year of publication: 2004
• a: 13.6306 ± 0.0012 Å
• b: 22.1417 ± 0.0019 Å
• c: 17.3317 ± 0.0015 Å
• α: 90°
• β: 106.304 ± 0.002°
• γ: 90°
• Cell volume: 5020.4 ± 0.8 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/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.2355
• Residual factor for significantly intense reflections: 0.0576
• Weighted residual factors for significantly intense reflections: 0.0603
• Weighted residual factors for all reflections included in the refinement: 0.0828
• Goodness-of-fit parameter for all reflections included in the refinement: 0.826
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No