Information card for entry 2312391

Structure parameters

• Chemical name: <i>trans</i>-Diaquabis(1-phenylpropane-1,2-diamine-κ^2^<i>N</i>,<i>N</i>')nickel(II) dichloride dihydrate
• Formula: C18 H36 Cl2 N4 Ni O4
• Calculated formula: C18 H32 Cl2 N4 Ni O4
• Title of publication: Synthesis, crystal structure, stereochemical and Hirshfeld surface analysis of <i>trans</i>-di-aqua-bis-(1-phenyl-propane-1,2-di-amine-κ²<i>N</i>,<i>N</i>')nickel(II) dichloride dihydrate.
• Authors of publication: Akila, Shanmugasundaram; Vidhyasagar, Thankakan; Thiruvalluvar, Aravazhi Amalan; Rajeswari, Krishnan
• Journal of publication: Acta crystallographica. Section E, Crystallographic communications
• Year of publication: 2023
• Journal volume: 79
• Journal issue: Pt 10
• Pages of publication: 967 - 971
• a: 12.113 ± 0.0007 Å
• b: 7.3062 ± 0.0004 Å
• c: 14.0441 ± 0.0008 Å
• α: 90°
• β: 91.589 ± 0.002°
• γ: 90°
• Cell volume: 1242.42 ± 0.12 ų
• Cell temperature: 298 ± 2 K
• Ambient diffraction temperature: 298 ± 2 K
• Number of distinct elements: 6
• 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: 0.0783
• Residual factor for significantly intense reflections: 0.0607
• Weighted residual factors for significantly intense reflections: 0.1285
• Weighted residual factors for all reflections included in the refinement: 0.14
• Goodness-of-fit parameter for all reflections included in the refinement: 1.076
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes