Information card for entry 7252045

Structure parameters

• Formula: C H Cl Mo N O S
• Calculated formula: C15 H16 Mo N2 O6 S
• Title of publication: Single crystal X-ray-structurally characterized Mo(vi) complexes of thiophene-appended amide–imine conjugates for optical recognition of calcon and 2-aminobutyric acid
• Authors of publication: Maji, Sangita; Mandal, Prasenjit; De, Amit Kumar; Chatterjee, Sudeshna; Das, Debasis
• Journal of publication: RSC Advances
• Year of publication: 2026
• Journal volume: 16
• Journal issue: 31
• Pages of publication: 28743 - 28750
• a: 8.2019 ± 0.0008 Å
• b: 8.5271 ± 0.0009 Å
• c: 12.813 ± 0.0013 Å
• α: 93.903 ± 0.005°
• β: 92.557 ± 0.005°
• γ: 96.706 ± 0.005°
• Cell volume: 886.68 ± 0.16 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 2 K
• Number of distinct elements: 7
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0884
• Residual factor for significantly intense reflections: 0.0815
• Weighted residual factors for significantly intense reflections: 0.2539
• Weighted residual factors for all reflections included in the refinement: 0.2638
• Goodness-of-fit parameter for all reflections included in the refinement: 2.235
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No