Information card for entry 8106687

Structure parameters

• Chemical name: di(<i>μ</i>~2~-<i>η</i>^1^,<i>η</i>^1^- ferrocenecarboxylate)-di(1,10-phenanthroline)-{μ-methanolate}dicopper(II) tetrafluoroborate – acetonitrile (1/1)
• Formula: C49 H40 B Cu2 F4 Fe2 N5 O5
• Calculated formula: C49 H40 B Cu2 F4 Fe2 N5 O5
• Title of publication: Crystal structure of bis(μ2-ferrocenecarboxylato-κ2 O:O′)-bis(1,10-phenanthroline-κ2 N,N′)-(μ2-methanolato-κ2 O,O)dicopper(II) tetrafluoroborate – acetonitrile (1/1), C49H40BCu2F4Fe2N5O5
• Authors of publication: Liu, Kuanguan; Shan, Qi-De; Nie, Jing; Yan, Xiaowei
• Journal of publication: Zeitschrift für Kristallographie - New Crystal Structures
• Year of publication: 2017
• Journal volume: 232
• Journal issue: 5
• Pages of publication: 813 - 815
• a: 11.526 ± 0.002 Å
• b: 12.902 ± 0.002 Å
• c: 15.469 ± 0.003 Å
• α: 95.632 ± 0.002°
• β: 107.789 ± 0.002°
• γ: 96.251 ± 0.002°
• Cell volume: 2156.3 ± 0.7 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 8
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0647
• Residual factor for significantly intense reflections: 0.0443
• Weighted residual factors for significantly intense reflections: 0.1085
• Weighted residual factors for all reflections included in the refinement: 0.1198
• Goodness-of-fit parameter for all reflections included in the refinement: 1.004
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No