Information card for entry 2018327

Structure parameters

• Chemical name: <i>trans</i>-bis(nitrito-κ<i>N</i>)tetrakis(pyridine-κ<i>N</i>)ruthenium(II) dihydrate
• Formula: C20 H24 N6 O6 Ru
• Calculated formula: C20 H24 N6 O6 Ru
• SMILES: N(=O)(=O)[Ru]([n]1ccccc1)([n]1ccccc1)([n]1ccccc1)([n]1ccccc1)N(=O)=O.O.O
• Title of publication: The three-dimensional intermolecular network formed <i>via</i> water molecules in <i>trans</i>-bis(nitrito-κ<i>N</i>)tetrakis(pyridine-κ<i>N</i>)ruthenium(II) dihydrate
• Authors of publication: Buron-Le Cointe, Marylise; Cormary, Beno\?ît; Toupet, Loïc; Malfant, Isabelle
• Journal of publication: Acta Crystallographica Section C
• Year of publication: 2011
• Journal volume: 67
• Journal issue: 12
• Pages of publication: m375 - m377
• a: 16.3418 ± 0.0002 Å
• b: 16.3418 ± 0.0002 Å
• c: 16.6448 ± 0.0002 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 4445.07 ± 0.09 ų
• Cell temperature: 120 ± 2 K
• Ambient diffraction temperature: 120 ± 2 K
• Number of distinct elements: 5
• Space group number: 142
• Hermann-Mauguin space group symbol: I 41/a c d :2
• Hall space group symbol: -I 4bd 2c
• Residual factor for all reflections: 0.0287
• Residual factor for significantly intense reflections: 0.018
• Weighted residual factors for significantly intense reflections: 0.0473
• Weighted residual factors for all reflections included in the refinement: 0.0491
• Goodness-of-fit parameter for all reflections included in the refinement: 1.012
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes