Information card for entry 7102692

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: c12c3[n]([Fe]45([n]6cccn6[BH2]n6[n]4ccc6)([n]4cccc(c34)cc1)[n]1cccn1[BH2]n1[n]5ccc1)ccc2
• 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: 17.3607 ± 0.0016 Å
• b: 16.0397 ± 0.0014 Å
• c: 10.5614 ± 0.0009 Å
• α: 90°
• β: 121.617 ± 0.003°
• γ: 90°
• Cell volume: 2504.4 ± 0.4 ų
• Cell temperature: 200 ± 2 K
• Ambient diffraction temperature: 200 ± 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: 0.0813
• Residual factor for significantly intense reflections: 0.0467
• Weighted residual factors for significantly intense reflections: 0.0919
• Weighted residual factors for all reflections included in the refinement: 0.1037
• Goodness-of-fit parameter for all reflections included in the refinement: 1.019
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No