Information card for entry 2241619

Structure parameters

• Chemical name: Bis(μ~2~-bis{[10-(oxidoimino)-9,10-dihydrophenanthren-9-ylidene]amino} difluoroborato)(phenanthrene-9,10-dione dioxime)trinickel(II) dichloromethane trisolvate
• Formula: C73 H48 B2 Cl6 F4 N10 Ni3 O10
• Calculated formula: C70 H42 B2 F4 N10 Ni3 O10
• SMILES: C12C(=NO[Ni]34[N](=C5C(c6c(c7c5cccc7)cccc6)=[N]4O[B](O[N]=23)(F)F)O[Ni]2([N](=C3C(c4ccccc4c4ccccc34)=[N]2O)O)O[N]2[Ni]34[N](=C5C=2c2ccccc2c2ccccc52)O[B](O[N]3=C2C(=NO4)c3ccccc3c3ccccc23)(F)F)c2ccccc2c2ccccc12
• Title of publication: Trinuclear nickel coordination complexes of phenanthrene-9,10-dione dioxime
• Authors of publication: Williams, Owen M.; Cowley, Alan H.
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2016
• Journal volume: 72
• Journal issue: 4
• Pages of publication: 538 - 542
• a: 15.6414 ± 0.0008 Å
• b: 30.8358 ± 0.0011 Å
• c: 14.738 ± 0.0008 Å
• α: 90°
• β: 112.411 ± 0.006°
• γ: 90°
• Cell volume: 6571.5 ± 0.6 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 8
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.1112
• Residual factor for significantly intense reflections: 0.0771
• Weighted residual factors for significantly intense reflections: 0.1914
• Weighted residual factors for all reflections included in the refinement: 0.2264
• Goodness-of-fit parameter for all reflections included in the refinement: 1.03
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes