Information card for entry 7224621

Structure parameters

• Chemical name: Tris-[dipyrido[3,2-a:23-c]phenazine]iron(II) diperchlorate
• Formula: C54 H30 Cl2 Fe N12 O8
• Calculated formula: C54 H30 Cl2 Fe N12 O8
• Title of publication: Structures and spin states of crystalline [Fe(NCS)2L2] and [FeL3]2+complexes (L = an annelated 1,10-phenanthroline derivative)
• Authors of publication: Kulmaczewski, Rafal; Halcrow, Malcolm A.
• Journal of publication: CrystEngComm
• Year of publication: 2016
• Journal volume: 18
• Journal issue: 14
• Pages of publication: 2570
• a: 24.6343 ± 0.0009 Å
• b: 21.2193 ± 0.0004 Å
• c: 18.1944 ± 0.0005 Å
• α: 90°
• β: 104.239 ± 0.003°
• γ: 90°
• Cell volume: 9218.4 ± 0.5 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 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: 0.0856
• Residual factor for significantly intense reflections: 0.0637
• Weighted residual factors for significantly intense reflections: 0.1646
• Weighted residual factors for all reflections included in the refinement: 0.1819
• Goodness-of-fit parameter for all reflections included in the refinement: 1.024
• Diffraction radiation wavelength: 0.6998 Å
• Diffraction radiation type: synchrotron
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No