Information card for entry 7702684

Structure parameters

• Common name: Ni_pyromelttate polymer
• Formula: C14 H30 N2 Ni O16
• Calculated formula: C14 H30 N2 Ni O16
• Title of publication: Anionic metal‒organic and cationic organic layer alternation in the coordination polymers [{M(BTEC)(OH2)4}·{C4H12N2}·4H2O]n (M = Co, Ni, and Zn; BTEC = 1,2,4,5-benzenetetracarboxylate)
• Authors of publication: Murugavel, Ramaswamy; Krishnamurthy, Divya; Sathiyendiran, Malaichamy
• Journal of publication: Journal of the Chemical Society, Dalton Transactions
• Year of publication: 2002
• Journal issue: 1
• Pages of publication: 34
• a: 6.8436 ± 0.0004 Å
• b: 9.1166 ± 0.0007 Å
• c: 9.7167 ± 0.0006 Å
• α: 105.346 ± 0.006°
• β: 97.746 ± 0.005°
• γ: 109.346 ± 0.007°
• Cell volume: 534.86 ± 0.07 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 5
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0317
• Residual factor for significantly intense reflections: 0.0314
• Weighted residual factors for significantly intense reflections: 0.0832
• Weighted residual factors for all reflections included in the refinement: 0.0835
• Goodness-of-fit parameter for all reflections included in the refinement: 1.075
• Diffraction radiation wavelength: 0.71069 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No