Information card for entry 2104118

Structure parameters

• Chemical name: azidobis(1,10-phenanthroline)copper(II) tetraphenylborate monohydrate
• Formula: C48 H36 B Cu N7 O
• Calculated formula: C48 H36 B Cu N7 O
• Title of publication: Five-coordinate copper(II) complexes: crystal structures, spectroscopic properties and new extended structural pathways of [Cu(chelate)~2~<i>X</i>]<i>Y</i>, where chelate = dpyam, phen and bipy; <i>X</i> = pseudohalide ligands
• Authors of publication: Youngme, Sujittra; Phuengphai, Pongthipun; Pakawatchai, Chaveng; Kongsaeree, Palangpon; Chaichit, Narongsak
• Journal of publication: Acta Crystallographica Section B
• Year of publication: 2008
• Journal volume: 64
• Journal issue: 3
• Pages of publication: 318 - 329
• a: 10.2373 ± 0.0004 Å
• b: 11.3628 ± 0.0004 Å
• c: 19.1037 ± 0.0007 Å
• α: 86.697 ± 0.001°
• β: 75.884 ± 0.001°
• γ: 67.744 ± 0.001°
• Cell volume: 1993.07 ± 0.13 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 6
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.1166
• Residual factor for significantly intense reflections: 0.069
• Weighted residual factors for significantly intense reflections: 0.148
• Weighted residual factors for all reflections included in the refinement: 0.1818
• Goodness-of-fit parameter for all reflections included in the refinement: 1.129
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No