Information card for entry 7250703

Structure parameters

• Chemical name: Ni-TSC-COOH
• Formula: C34 H52 N10 Ni O4 S2
• Calculated formula: C34 H52 N10 Ni O4 S2
• Title of publication: Stepwise assembly of Ni–N2S2 catalytic sites and porphyrin photosensitizers in a metal–organic framework for bioinspired photocatalysis
• Authors of publication: Gu, Yu-Hao; Xu, Xinyu; Zhu, Chenyu; Luo, Rengan; Yuan, Shuai
• Journal of publication: CrystEngComm
• Year of publication: 2025
• Journal volume: 27
• Journal issue: 35
• Pages of publication: 5841 - 5847
• a: 14.5393 ± 0.0006 Å
• b: 7.7694 ± 0.0003 Å
• c: 17.4897 ± 0.0008 Å
• α: 90°
• β: 94.017 ± 0.002°
• γ: 90°
• Cell volume: 1970.81 ± 0.14 ų
• Cell temperature: 193 K
• Ambient diffraction temperature: 193 K
• Number of distinct elements: 6
• Space group number: 7
• Hermann-Mauguin space group symbol: P 1 n 1
• Hall space group symbol: P -2yac
• Residual factor for all reflections: 0.056
• Residual factor for significantly intense reflections: 0.0492
• Weighted residual factors for significantly intense reflections: 0.1179
• Weighted residual factors for all reflections included in the refinement: 0.1243
• Goodness-of-fit parameter for all reflections included in the refinement: 1.058
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No