Information card for entry 7102690

Structure parameters

• Common name: 2,2'-Bipyridine-bis(di(hydro)bis(1-pyrazolyl)borate iron(ii)
• Chemical name: 2,2'-Bipyridine-bis[di(hydro)bis(1-pyrazolyl)borate iron(II)
• Formula: C22 H24 B2 Fe N10
• Calculated formula: C22 H24 B2 Fe N10
• SMILES: c1c2[n]([Fe]34([n]5cccn5[BH2]n5[n]3ccc5)([n]3ccccc23)[n]2cccn2[BH2]n2[n]4ccc2)ccc1
• Title of publication: Thermal and light induced polymorphism in iron(II) spin crossover compounds.
• Authors of publication: Thompson, Amber L; Goeta, Andres E; Real, Jose A; Galet, Ana; Carmen Munoz, M
• Journal of publication: Chemical communications (Cambridge, England)
• Year of publication: 2004
• Journal issue: 12
• Pages of publication: 1390 - 1391
• a: 16.1106 ± 0.0011 Å
• b: 14.5909 ± 0.001 Å
• c: 10.8281 ± 0.0008 Å
• α: 90°
• β: 113.895 ± 0.003°
• γ: 90°
• Cell volume: 2327.2 ± 0.3 ų
• Cell temperature: 30 ± 2 K
• Ambient diffraction temperature: 30 ± 2 K
• Number of distinct elements: 5
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for all reflections: 0.0946
• Residual factor for significantly intense reflections: 0.0491
• Weighted residual factors for significantly intense reflections: 0.0823
• Weighted residual factors for all reflections included in the refinement: 0.0935
• Goodness-of-fit parameter for all reflections included in the refinement: 1.001
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No