Information card for entry 2207505

Structure parameters

• Chemical name: Bis[N-(2-hydroxyethyl)ethylenediamine-κ^3^N,N',O]nickel(II) squarate monohydrate
• Formula: C12 H26 N4 Ni O7
• Calculated formula: C12 H26 N4 Ni O7
• Title of publication: Bis[<i>N</i>-(2-hydroxyethyl)ethylenediamine-κ^3^<i>N</i>,<i>N</i>',<i>O</i>]nickel(II) squarate monohydrate
• Authors of publication: Ibrahim Uçar; Ahmet Bulut
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2005
• Journal volume: 61
• Journal issue: 12
• Pages of publication: m2730 - m2732
• a: 11.974 ± 0.0008 Å
• b: 8.7618 ± 0.0004 Å
• c: 16.9051 ± 0.0012 Å
• α: 90°
• β: 97.454 ± 0.006°
• γ: 90°
• Cell volume: 1758.59 ± 0.19 ų
• Cell temperature: 297 ± 2 K
• Ambient diffraction temperature: 297 ± 2 K
• Number of distinct elements: 5
• 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: 0.0518
• Residual factor for significantly intense reflections: 0.0417
• Weighted residual factors for significantly intense reflections: 0.0902
• Weighted residual factors for all reflections included in the refinement: 0.0945
• Goodness-of-fit parameter for all reflections included in the refinement: 1.058
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No