Information card for entry 7718090

Structure parameters

• Formula: C34 H30 Br2 Fe2 N12
• Calculated formula: C34 H30 Br2 Fe2 N12
• Title of publication: Homoleptic coordination polymers and complexes of transition metals with 2-(1,2,4-1<i>H</i>-triazol-3-yl) pyridine and tuning towards white-light emission.
• Authors of publication: Seuffert, Marcel T.; Sedykh, Alexander E.; Schäfer, Thomas C; Becker, Jonathan; Müller-Buschbaum, Klaus
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2025
• Journal volume: 54
• Journal issue: 12
• Pages of publication: 5075 - 5090
• a: 8.8782 ± 0.0008 Å
• b: 9.6738 ± 0.0009 Å
• c: 12.1392 ± 0.0011 Å
• α: 74.666 ± 0.003°
• β: 70.793 ± 0.003°
• γ: 63.437 ± 0.003°
• Cell volume: 872.09 ± 0.14 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 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: 0.049
• Residual factor for significantly intense reflections: 0.0388
• Weighted residual factors for significantly intense reflections: 0.0762
• Weighted residual factors for all reflections included in the refinement: 0.0793
• Goodness-of-fit parameter for all reflections included in the refinement: 1.111
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No