Information card for entry 7241517

Structure parameters

• Chemical name: nonakis(2-hydroxybenzaldehyde) tetrakis(N-[(2E)-10- (4-chlorophenyl)-3-[(4-chlorophenyl)amino]-2,10- dihydrophenazin-2-ylidene]propan-2-aminium) tetrakis(2-{2-[(2,6-dichlorophenyl)amino]phenyl}acetate) hydrate
• Formula: C227 H188 Cl16 N20 O27
• Calculated formula: C227 H188 Cl16 N20 O27
• Title of publication: Taking advantage of solvate formation to modulate drug‒drug ratio in clofaziminium diclofenac salts
• Authors of publication: Bodart, Laurie; Prinzo, Maria; Derlet, Amélie; Tumanov, Nikolay; Wouters, Johan
• Journal of publication: CrystEngComm
• Year of publication: 2021
• Journal volume: 23
• Journal issue: 1
• Pages of publication: 185 - 201
• a: 10.4132 ± 0.0005 Å
• b: 21.2266 ± 0.0007 Å
• c: 25.0657 ± 0.0007 Å
• α: 66.238 ± 0.003°
• β: 89.969 ± 0.003°
• γ: 86.658 ± 0.003°
• Cell volume: 5060.5 ± 0.3 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: 0.0751
• Residual factor for significantly intense reflections: 0.0595
• Weighted residual factors for significantly intense reflections: 0.1527
• Weighted residual factors for all reflections included in the refinement: 0.1709
• Goodness-of-fit parameter for all reflections included in the refinement: 1.032
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No