Information card for entry 2215448

Structure parameters

• Chemical name: [μ-4,7-dioxa-1,10-diazaoctane-1,1,10,10-tetraacetato- 1κ^4^O^1^,O^1'^,N^1^,O^4^:2κ^4^O^7^,N^10^,O^10^,O^10'^] bis[aquanickel(II)] dihydrate
• Formula: C14 H28 N2 Ni2 O14
• Calculated formula: C14 H28 N2 Ni2 O14
• SMILES: C1(=O)C[N]23CC[O](CC[O]4CC[N]56CC(=O)O[Ni]46(OC(=O)C5)[OH2])[Ni]2(O1)(OC(=O)C3)[OH2].O.O
• Title of publication: [μ-4,7-Dioxa-1,10-diazaoctane-1,1,10,10-tetraacetat0-1κ^4^<i>O</i>^1^,<i>O</i>^1'^,<i>N</i>^1^,<i>O</i>^4^:2κ^4^<i>O</i>^7^,<i>N</i>^10^,<i>O</i>^10^,<i>O</i>^10'^]bis[aquanickel(II)] dihydrate
• Authors of publication: Hui-Qin Liu
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2007
• Journal volume: 63
• Journal issue: 10
• Pages of publication: m2575 - m2575
• a: 21.031 ± 0.002 Å
• b: 7.5299 ± 0.0009 Å
• c: 13.5789 ± 0.0016 Å
• α: 90°
• β: 90.464 ± 0.001°
• γ: 90°
• Cell volume: 2150.3 ± 0.4 ų
• Cell temperature: 298 ± 2 K
• Ambient diffraction temperature: 298 ± 2 K
• Number of distinct elements: 5
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for all reflections: 0.0295
• Residual factor for significantly intense reflections: 0.0237
• Weighted residual factors for significantly intense reflections: 0.0573
• Weighted residual factors for all reflections included in the refinement: 0.0602
• Goodness-of-fit parameter for all reflections included in the refinement: 1.078
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes