Information card for entry 7201698

Structure parameters

• Formula: C84.3 H74.15 Cu2 Fe2 N26.15 O31.85
• Calculated formula: C84.3 H62.45 Cu2 Fe2 N26.15 O31.85
• Title of publication: A one-dimensional copper(ii) coordination polymer containing [Fe(pytpy)2]2+ (pytpy = 4′-(4-pyridyl)-2,2′:6′,2″-terpyridine) as an expanded 4,4′-bipyridine ligand: a hydrogen-bonded network penetrated by rod-like polymers
• Authors of publication: Beves, Jonathon E.; Constable, Edwin C.; Housecroft, Catherine E.; Neuburger, Markus; Schaffner, Silvia
• Journal of publication: CrystEngComm
• Year of publication: 2008
• Journal volume: 10
• Journal issue: 3
• Pages of publication: 344
• a: 8.6581 ± 0.0003 Å
• b: 14.2343 ± 0.0017 Å
• c: 39.083 ± 0.006 Å
• α: 97.681 ± 0.012°
• β: 95.21 ± 0.005°
• γ: 104.377 ± 0.005°
• Cell volume: 4585.2 ± 0.9 ų
• Cell temperature: 173 K
• Ambient diffraction temperature: 173 K
• Number of distinct elements: 6
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0997
• Residual factor for significantly intense reflections: 0.0685
• Weighted residual factors for all reflections: 0.088
• Weighted residual factors for significantly intense reflections: 0.0602
• Weighted residual factors for all reflections included in the refinement: 0.0602
• Goodness-of-fit parameter for all reflections included in the refinement: 1.024
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No