Information card for entry 8102180

Structure parameters

• Chemical name: dichloro-bis(1,10-phenanthroline)-(5-bromosalicylaldehyde- (4-aminobenzene)sulfonic acid)magnesium (II) perchlorate monohydrate
• Formula: C37 H29 Br Cl3 Mg N5 O9 S
• Calculated formula: C37 H29 Br Cl3 Mg N5 O9 S
• Title of publication: Crystal structure of dichlorobis(1,10-phenanthroline)(5-bromosalicylaldehyde- (4-aminobenzene)hydrogensulfonic acid)magnesium(II) perchlorate monohydrate, [Mg(C~12~H~8~N~2~)~2~(C~13~H~11~BrNO~4~S)Cl~2~][ClO~4~] · H~2~O
• Authors of publication: Tai, Xi-Shi; Yin, Jie; Feng, Yi-Min
• Journal of publication: Zeitschrift für Kristallographie - New Crystal Structures
• Year of publication: 2007
• Journal volume: 222
• Journal issue: 4
• Pages of publication: 398 - 400
• a: 18.389 ± 0.004 Å
• b: 28.248 ± 0.007 Å
• c: 7.8468 ± 0.0018 Å
• α: 90°
• β: 99.155 ± 0.003°
• γ: 90°
• Cell volume: 4024.1 ± 1.6 ų
• Cell temperature: 291 ± 2 K
• Ambient diffraction temperature: 291 ± 2 K
• Number of distinct elements: 8
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.0822
• Residual factor for significantly intense reflections: 0.0536
• Weighted residual factors for significantly intense reflections: 0.116
• Weighted residual factors for all reflections included in the refinement: 0.1234
• Goodness-of-fit parameter for all reflections included in the refinement: 1.02
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No