Information card for entry 2218070

Structure parameters

• Chemical name: <i>catena</i>-Poly[[[bis[4-(1<i>H</i>-1,3,7,8- tetraazacyclopenta[<i>l</i>]phenanthren-2-yl)phenol- κ^2^<i>N</i>^7^,<i>N</i>^8^]manganese(II)]-μ-naphthalene-1,4-dicarboxylato- κ^2^<i>O</i>^1^:<i>O</i>^4^] naphthalene-1,4-dicarboxylic acid hemisolvate monohydrate]
• Formula: C56 H36 Mn N8 O9
• Calculated formula: C56 H36 Mn N8 O9
• Title of publication: <i>catena</i>-Poly[[[bis[4-(1<i>H</i>-1,3,7,8-tetraazacyclopenta[<i>l</i>]phenanthren-2-yl)phenol-κ^2^<i>N</i>^7^,<i>N</i>^8^]manganese(II)]-μ-naphthalene-1,4-dicarboxylato-κ^2^<i>O</i>^1^:<i>O</i>^4^] naphthalene-1,4-dicarboxylic acid hemisolvate monohydrate]
• Authors of publication: Li, Heng-Da; Li, Xiu-Ying; Xu, Mao-Liang; Ng, Seik Weng
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2008
• Journal volume: 64
• Journal issue: 5
• Pages of publication: m701 - m702
• a: 48.398 ± 0.015 Å
• b: 9.089 ± 0.002 Å
• c: 20.598 ± 0.006 Å
• α: 90°
• β: 103.2 ± 0.01°
• γ: 90°
• Cell volume: 8821 ± 4 ų
• Cell temperature: 295 ± 2 K
• Ambient diffraction temperature: 295 ± 2 K
• Number of distinct elements: 5
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for all reflections: 0.1206
• Residual factor for significantly intense reflections: 0.0603
• Weighted residual factors for significantly intense reflections: 0.141
• Weighted residual factors for all reflections included in the refinement: 0.1697
• Goodness-of-fit parameter for all reflections included in the refinement: 1.029
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: Yes