Information card for entry 7240745

Structure parameters

• Formula: C10 H20 Cl3 Ho N2 O6
• Calculated formula: C10 H20 Cl3 Ho N2 O6
• SMILES: [Ho]1([OH2])([OH2])([OH2])([n]2ccccc2c2[n]1cccc2)([OH2])([OH2])[OH2].[Cl-].[Cl-].[Cl-]
• Title of publication: The synthesis, characterization, DNA/BSA/HSA interactions, molecular modeling, antibacterial properties, and in vitro cytotoxic activities of novel parent and niosome nano-encapsulated Ho(iii) complexes
• Authors of publication: Yinhua, Deng; Foroughi, Mohammad Mehdi; Aramesh-Boroujeni, Zahra; Jahani, Shohreh; Peydayesh, Mohadesh; Borhani, Fariba; Khatami, Mehrdad; Rohani, Meysam; Dusek, Michal; Eigner, Vaclav
• Journal of publication: RSC Advances
• Year of publication: 2020
• Journal volume: 10
• Journal issue: 39
• Pages of publication: 22891 - 22908
• a: 7.6541 ± 0.0006 Å
• b: 14.2569 ± 0.0015 Å
• c: 17.3435 ± 0.0011 Å
• α: 89.723 ± 0.007°
• β: 87.557 ± 0.006°
• γ: 87.201 ± 0.008°
• Cell volume: 1888.6 ± 0.3 ų
• Cell temperature: 119.95 ± 0.11 K
• Ambient diffraction temperature: 119.95 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: 0.0626
• Residual factor for significantly intense reflections: 0.0255
• Weighted residual factors for significantly intense reflections: 0.045
• Weighted residual factors for all reflections included in the refinement: 0.0467
• Goodness-of-fit parameter for significantly intense reflections: 1.52
• Goodness-of-fit parameter for all reflections included in the refinement: 1.11
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No