Information card for entry 7102695

Structure parameters

• Common name: 2,2'-Phenanthroline-bis(di(hydro)bis(1-pyrazolyl)borate iron(ii)
• Chemical name: 2,2'-Phenanthroline-bis[di(hydro)bis(1-pyrazolyl)borate iron(II)
• Formula: C24 H24 B2 Fe N10
• Calculated formula: C24 H24 B2 Fe N10
• SMILES: [Fe]123([n]4cccc5c4c4[n]2cccc4cc5)([n]2[n]([BH2][n]4[n]1ccc4)ccc2)[n]1[n]([BH2][n]2[n]3ccc2)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: 10.727 ± 0.007 Å
• b: 12.415 ± 0.008 Å
• c: 10.712 ± 0.006 Å
• α: 67.473 ± 0.015°
• β: 110.377 ± 0.015°
• γ: 93.505 ± 0.011°
• Cell volume: 1231 ± 1.3 ų
• Cell temperature: 30 ± 2 K
• Ambient diffraction temperature: 30 ± 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: 0.1259
• Residual factor for significantly intense reflections: 0.0798
• Weighted residual factors for significantly intense reflections: 0.162
• Weighted residual factors for all reflections included in the refinement: 0.1818
• Goodness-of-fit parameter for all reflections included in the refinement: 1.014
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No