Information card for entry 7102106

Structure parameters

• Common name: di(3-amino-3-methoxy- 2nitrosoacrylonitrilate)dimethanolnickel(ii)
• Chemical name: di(3-amino-3-methoxy-2nitrosoacrylonitrilate)dimethanolnickel(II)
• Formula: C10 H16 N6 Ni O6
• Calculated formula: C10 H16 N6 Ni O6
• SMILES: C1(C(=[NH][Ni]2(N=1=O)(N(=C(C(=[NH]2)OC)C#N)=O)([OH]C)[OH]C)OC)C#N
• Title of publication: Solvothermal vs. bench-top reactions: Control over the formation of discrete complexes and coordination polymers
• Authors of publication: Chesman, Anthony S. R.; Turner, David R.; Price, David J.; Moubaraki, Boujemaa; Murray, Keith S.; Deacon, Glen B.; Batten, Stuart R.
• Journal of publication: Chemical Communications (Cambridge, United Kingdom)
• Year of publication: 2007
• Journal issue: 34
• Pages of publication: 3541 - 3543
• a: 5.2198 ± 0.0001 Å
• b: 15.9545 ± 0.0003 Å
• c: 9.3351 ± 0.0002 Å
• α: 90°
• β: 98.222 ± 0.001°
• γ: 90°
• Cell volume: 769.43 ± 0.03 ų
• Cell temperature: 123 ± 1 K
• Ambient diffraction temperature: 123 ± 1 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: 0.0198
• Residual factor for significantly intense reflections: 0.0187
• Weighted residual factors for significantly intense reflections: 0.0464
• Weighted residual factors for all reflections included in the refinement: 0.0469
• Goodness-of-fit parameter for all reflections included in the refinement: 1.051
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No