Information card for entry 4327772

Structure parameters

• Chemical name: catena-(bis(μ~3~-bis[tris(tetrazol-1-ylmethyl)methane- N4,N4',N4'')iron(ii) bis(tetrafluoroborate))
• Formula: C14 H20 B2 F8 Fe N24
• Calculated formula: C14 H20 B2 F7.94 Fe N24
• Title of publication: HS\λeftarrow\ρightarrowLS Transition in Iron(II) Two-Dimensional Coordination Networks Containing Tris(tetrazol-1-ylmethyl)methane As Triconnected Building Block
• Authors of publication: Agata Białońska; Robert Bronisz; Mikołaj F. Rudolf; Marek Weselski
• Journal of publication: Inorganic Chemistry
• Year of publication: 2012
• Journal volume: 51
• Pages of publication: 237 - 245
• a: 9.944 ± 0.003 Å
• b: 9.944 ± 0.003 Å
• c: 8.126 ± 0.002 Å
• α: 90°
• β: 90°
• γ: 120°
• Cell volume: 695.9 ± 0.3 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 6
• Space group number: 147
• Hermann-Mauguin space group symbol: P -3
• Hall space group symbol: -P 3
• Residual factor for all reflections: 0.0404
• Residual factor for significantly intense reflections: 0.0307
• Weighted residual factors for significantly intense reflections: 0.0626
• Weighted residual factors for all reflections included in the refinement: 0.0653
• Goodness-of-fit parameter for all reflections included in the refinement: 1.09
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No