Information card for entry 7023090

Structure parameters

• Formula: C21 H12 Cl4 Fe2 N10 O
• Calculated formula: C21 H12 Cl4 Fe2 N10 O0.9996
• Title of publication: Expanding the 2,2'-bipyrimidine bridged 1D homonuclear coordination polymers family: [M(II)(bpym)Cl2] (M = Fe, Co) magnetic and structural characterization.
• Authors of publication: Alborés, Pablo; Rentschler, Eva
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2013
• Journal volume: 42
• Journal issue: 26
• Pages of publication: 9621 - 9627
• a: 11.978 ± 0.004 Å
• b: 16.464 ± 0.005 Å
• c: 29.114 ± 0.009 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 5741 ± 3 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 2 K
• Number of distinct elements: 6
• Space group number: 70
• Hermann-Mauguin space group symbol: F d d d :2
• Hall space group symbol: -F 2uv 2vw
• Residual factor for all reflections: 0.0791
• Residual factor for significantly intense reflections: 0.0584
• Weighted residual factors for significantly intense reflections: 0.1446
• Weighted residual factors for all reflections included in the refinement: 0.1525
• Goodness-of-fit parameter for all reflections included in the refinement: 1.074
• Diffraction radiation wavelength: 0.71069 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No