Information card for entry 2215344

Structure parameters

• Chemical name: Hexakis(μ-naphthalene-1-acetato)bis[(1,10-phenanthroline)gadolinium(III)] N,N-dimethylformamide disolvate
• Formula: C102 H84 Gd2 N6 O14
• Calculated formula: C102 H84 Gd2 N6 O14
• SMILES: C1(Cc2cccc3c2cccc3)[O]2[Gd]3456([n]7cccc8c7c7[n]3cccc7cc8)([O]=1)([O]=C(Cc1cccc3c1cccc3)O[Gd]1372([n]2cccc8c2c2[n]1cccc2cc8)([O]6C(Cc1cccc2c1cccc2)=[O]3)([O]=C(O5)Cc1cccc2c1cccc2)[O]=C(O7)Cc1cccc2c1cccc2)[O]=C(O4)Cc1cccc2c1cccc2.N(C=O)(C)C.N(C=O)(C)C
• Title of publication: Hexakis(μ-naphthalene-1-acetato)bis[(1,10-phenanthroline)gadolinium(III)] <i>N</i>,<i>N</i>-dimethylformamide disolvate
• Authors of publication: Liu, Yu-Fen; Xia, Hai-Tao; Wang, Da-Qi; Yang, Shu-Ping
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2007
• Journal volume: 63
• Journal issue: 10
• Pages of publication: m2625 - m2626
• a: 13.4762 ± 0.0019 Å
• b: 15.103 ± 0.002 Å
• c: 22.178 ± 0.002 Å
• α: 90°
• β: 103.698 ± 0.002°
• γ: 90°
• Cell volume: 4385.5 ± 0.9 ų
• Cell temperature: 298 ± 2 K
• Ambient diffraction temperature: 298 ± 2 K
• Number of distinct elements: 5
• 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: 0.083
• Residual factor for significantly intense reflections: 0.0408
• Weighted residual factors for significantly intense reflections: 0.066
• Weighted residual factors for all reflections included in the refinement: 0.0814
• Goodness-of-fit parameter for all reflections included in the refinement: 1.033
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes