Information card for entry 7203766

Structure parameters

• Formula: C82 H74 Fe2 N16 O7 S4
• Calculated formula: C82 H74 Fe2 N16 O7 S4
• Title of publication: A highly distorted (10,3)-a coordination framework constructed from alternating T-shaped and trigonal nodes
• Authors of publication: Halder, Gregory J.; Neville, Suzanne M.; Kepert, Cameron J.
• Journal of publication: CrystEngComm
• Year of publication: 2005
• Journal volume: 7
• Journal issue: 42
• Pages of publication: 266
• a: 15.772 ± 0.005 Å
• b: 26.984 ± 0.008 Å
• c: 19.254 ± 0.006 Å
• α: 90°
• β: 90.019 ± 0.005°
• γ: 90°
• Cell volume: 8194 ± 4 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 2 K
• Number of distinct elements: 6
• 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: 0.1089
• Residual factor for significantly intense reflections: 0.0577
• Weighted residual factors for significantly intense reflections: 0.1278
• Weighted residual factors for all reflections included in the refinement: 0.1608
• Goodness-of-fit parameter for all reflections included in the refinement: 1.037
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No