Information card for entry 7023049

Structure parameters

• Chemical name: catena-Poly[[bis(benzoato-K2O,O')bis(mu-benzoato-KO:KO')bis(mu-pyrazine-KN,KN') dicobalt(II)]-benzoic acid (1/1)]
• Formula: C21.5 H17 Co N2 O5
• Calculated formula: C21.5 H17 Co N2 O5
• Title of publication: Cu(I), Co(II) and Fe(II) coordination polymers with pyrazine and benzoate as ligands. Spin crossover, spin canting and metamagnetism phenomena.
• Authors of publication: Amo-Ochoa, Pilar; Castillo, Oscar; Zamora, Félix
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2013
• Journal volume: 42
• Journal issue: 37
• Pages of publication: 13453 - 13460
• a: 7.1207 ± 0.0003 Å
• b: 8.9131 ± 0.0004 Å
• c: 15.6874 ± 0.0007 Å
• α: 95.278 ± 0.003°
• β: 94.01 ± 0.003°
• γ: 106.181 ± 0.002°
• Cell volume: 947.38 ± 0.07 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 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: 0.0732
• Residual factor for significantly intense reflections: 0.0588
• Weighted residual factors for significantly intense reflections: 0.1476
• Weighted residual factors for all reflections included in the refinement: 0.158
• Goodness-of-fit parameter for all reflections included in the refinement: 1.04
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No