Information card for entry 7017175

Structure parameters

• Common name: diaquonitrito((±)-2,7,12-trimethoxy-3,8,13-tris(3-(4- pyridyl)benzoyl)-10,15-dihydro-5H-tribenzo(a,d,g)cyclononane)cobalt(ii) nitrate
• Chemical name: diaquonitrito[(±)-2,7,12-trimethoxy-3,8,13- tris[3-(4-pyridyl)benzoyl]-10,15-dihydro-5H- tribenzo[a,d,g]cyclononane]cobalt(II) nitrate
• Formula: C73.5 H81.5 Co N11.5 O22
• Calculated formula: C60 H45 Co N3.5 O13
• Title of publication: New coordination polymers with extended arm cyclotriguaiacyclene ligands: 1D chains, and interpenetrating or polycatenating 2D (4(2).6(2))(4.6(2))(2) networks.
• Authors of publication: Little, Marc A.; Ronson, Tanya K.; Hardie, Michaele J.
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2011
• Journal volume: 40
• Journal issue: 45
• Pages of publication: 12217 - 12227
• a: 11.379 ± 0.002 Å
• b: 18.072 ± 0.004 Å
• c: 21.416 ± 0.004 Å
• α: 105.58 ± 0.03°
• β: 94.6 ± 0.03°
• γ: 94.5 ± 0.03°
• Cell volume: 4205.5 ± 1.6 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 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: 0.1413
• Residual factor for significantly intense reflections: 0.1117
• Weighted residual factors for significantly intense reflections: 0.2713
• Weighted residual factors for all reflections included in the refinement: 0.2963
• Goodness-of-fit parameter for all reflections included in the refinement: 1.359
• Diffraction radiation wavelength: 0.6889 Å
• Diffraction radiation type: synchrotron
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No