Information card for entry 7111387

Structure parameters

• Formula: C6 H26 Cl12 N6 Na4 Nb6 O13
• Calculated formula: C6 Cl12 N6 Na4 Nb6 O13
• SMILES: C(#N)[Nb]123[Cl][Nb]45(C#N)[Cl][Nb]67(C#N)[Cl][Nb](C#N)([Cl]3)([Cl][Nb](C#N)([Cl]6)([Cl]2)[Cl][Nb](C#N)([Cl]1)([Cl]7)[Cl]4)[Cl]5.O.[Na+].O.O.O.O.[Na+].[Na+].O.O.O.O.O.O.O.O.[Na+]
• Title of publication: Octahedral metal clusters as building units in a neutral layered honeycomb network, [Zn(en)]2[Nb6Cl12(CN)6]
• Authors of publication: Yan, Bangbo; Day, Cynthia S.; Lachgar, Abdessadek
• Journal of publication: Chemical Communications
• Year of publication: 2004
• Journal issue: 21
• Pages of publication: 2390 - 2391
• a: 14.2313 ± 0.0011 Å
• b: 14.2313 ± 0.0011 Å
• c: 19.413 ± 0.002 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 3931.7 ± 0.6 ų
• Cell temperature: 193 ± 2 K
• Ambient diffraction temperature: 193 ± 2 K
• Number of distinct elements: 7
• Space group number: 141
• Hermann-Mauguin space group symbol: I 41/a m d :2
• Hall space group symbol: -I 4bd 2
• Residual factor for all reflections: 0.0702
• Residual factor for significantly intense reflections: 0.0489
• Weighted residual factors for significantly intense reflections: 0.0936
• Weighted residual factors for all reflections included in the refinement: 0.1012
• Goodness-of-fit parameter for all reflections included in the refinement: 1.169
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No