Information card for entry 2312052

Structure parameters

• Chemical name: Chloridobis(1,10-phenanthroline)copper(II) chloride tetrahydrate
• Formula: C24 H24 Cl2 Cu N4 O4
• Calculated formula: C24 H18 Cl2 Cu N4 O4.05
• Title of publication: Crystal structures of di-μ-chlorido-bis-({(<i>E</i>)-5-(ethyl-amino)-4-methyl-2-[(pyridin-2-yl)diazen-yl]phen-o-lato}copper(II)) and chlorido-bis-(1,10-phen-anthroline)copper(II) chloride tetra-hydrate.
• Authors of publication: Meier, Alex; Mian, Mohammad Rasel; Ou, Siyu; Lovell, Scott; Mure, Minae
• Journal of publication: Acta crystallographica. Section E, Crystallographic communications
• Year of publication: 2023
• Journal volume: 79
• Journal issue: Pt 3
• Pages of publication: 201 - 206
• a: 23.1874 ± 0.0007 Å
• b: 30.2708 ± 0.0009 Å
• c: 7.2839 ± 0.0002 Å
• α: 90°
• β: 97.235 ± 0.001°
• γ: 90°
• Cell volume: 5071.9 ± 0.3 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 K
• Number of distinct elements: 6
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for all reflections: 0.0471
• Residual factor for significantly intense reflections: 0.0451
• Weighted residual factors for significantly intense reflections: 0.128
• Weighted residual factors for all reflections included in the refinement: 0.1296
• Goodness-of-fit parameter for all reflections included in the refinement: 1.049
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: Yes