Information card for entry 8101804

Structure parameters

• Chemical name: dinitratobis(4-methyl-5-formyl-imidazolfuranoylhydrazone)gadolinium(III) mononitrate
• Formula: C20 H20 Gd N11 O13
• Calculated formula: C20 H20 Gd N11 O13
• SMILES: [Gd]123456([O]=C(N[N]6=Cc6[n]3c[nH]c6C)c3occc3)(ON(=O)=[O]1)(ON(=O)=[O]2)[O]=C(N[N]5=Cc1[n]4c[nH]c1C)c1occc1.O=N(=O)[O-]
• Title of publication: Crystal structure of dinitratobis(4-methyl-5-formylimidazolfuranoylhydrazone) gadolinium(III) mononitrate, [Gd{(OC(C~4~H3O)NHNCH(CH~3~)C~3~H~2~N~2~) }~2~(NO~3~)~2~][NO~3~]
• Authors of publication: P. M. Haba; O. Diouf; M. Gaye; A. S. Sall; A. H. Barry; R. Weller; B. Chahrazed
• Journal of publication: Zeitschrift für Kristallographie - New Crystal Structures
• Year of publication: 2005
• Journal volume: 220
• Journal issue: 3
• Pages of publication: 401 - 402
• a: 8.1732 ± 0.0001 Å
• b: 10.864 ± 0.0002 Å
• c: 16.2532 ± 0.0003 Å
• α: 109.03 ± 0.0008°
• β: 94.68 ± 0.0007°
• γ: 96.1267 ± 0.001°
• Cell volume: 1346.07 ± 0.04 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 2 K
• Number of distinct elements: 5
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0704
• Residual factor for significantly intense reflections: 0.0482
• Weighted residual factors for significantly intense reflections: 0.1162
• Weighted residual factors for all reflections included in the refinement: 0.1324
• Goodness-of-fit parameter for all reflections included in the refinement: 1.077
• Diffraction radiation wavelength: 0.71069 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No