Information card for entry 4337641

Structure parameters

• Formula: C20 H20 Mg N2 O10
• Calculated formula: C20 H20 Mg N2 O10
• SMILES: c1cn2c3=[O][Mg]4([O]=c5n6c(ccc5C(=O)O4)cccc6)(OC(c3ccc2cc1)=O)([OH2])[OH2].O.O
• Title of publication: Formation of Ternary Complexes with MgATP: Effects on the Detection of Mg(2+) in Biological Samples by Bidentate Fluorescent Sensors.
• Authors of publication: Schwartz, Sarina C.; Pinto-Pacheco, Brismar; Pitteloud, Jean-Philippe; Buccella, Daniela
• Journal of publication: Inorganic chemistry
• Year of publication: 2014
• Journal volume: 53
• Journal issue: 6
• Pages of publication: 3204 - 3209
• a: 11.871 ± 0.0005 Å
• b: 9.903 ± 0.0004 Å
• c: 17.4651 ± 0.0007 Å
• α: 90°
• β: 106.292 ± 0.001°
• γ: 90°
• Cell volume: 1970.73 ± 0.14 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 5
• 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: 0.0328
• Residual factor for significantly intense reflections: 0.0288
• Weighted residual factors for significantly intense reflections: 0.0807
• Weighted residual factors for all reflections included in the refinement: 0.0837
• Goodness-of-fit parameter for all reflections included in the refinement: 1.103
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No