Information card for entry 2237884

Structure parameters

• Chemical name: (3,3'-{(1<i>E</i>,1'<i>E</i>)-1,1'-[Ethane-1,2-diylbis(azan-1-yl-1-ylidene-κ<i>N</i>)]bis(ethan-1-yl-1-ylidene)}dipyrazine 1-oxide-κ<i>N</i>^4^)bis(nitrato-κ<i>O</i>)nickel(II) monohydrate
• Formula: C14 H18 N8 Ni O9
• Calculated formula: C14 H18 N8 Ni O9
• SMILES: c1cn(cc2C(C)=[N]3CC[N]4[Ni]3([n]12)([n]1ccn(cc1C=4C)=O)(ON(=O)=O)ON(=O)=O)=O.O
• Title of publication: (3,3'-{(1<i>E</i>,1'<i>E</i>)-1,1'-[Ethane-1,2-diylbis(azan-1-yl-1-ylidene-κ<i>N</i>)]bis(ethan-1-yl-1-ylidene)}dipyrazine 1-oxide-κ<i>N</i>^4^)bis(nitrato-κ<i>O</i>)nickel(II) monohydrate
• Authors of publication: Omer, Mohammed A. S.; Liu, Jia-Cheng
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2013
• Journal volume: 69
• Journal issue: 5
• Pages of publication: m263 - m264
• a: 16.993 ± 0.005 Å
• b: 16.218 ± 0.005 Å
• c: 7.754 ± 0.002 Å
• α: 90°
• β: 113.427 ± 0.003°
• γ: 90°
• Cell volume: 1960.8 ± 1 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 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: 0.0448
• Residual factor for significantly intense reflections: 0.0324
• Weighted residual factors for significantly intense reflections: 0.0658
• Weighted residual factors for all reflections included in the refinement: 0.0701
• Goodness-of-fit parameter for all reflections included in the refinement: 1.037
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes