Information card for entry 2202432

Structure parameters

• Formula: C4 H18 Cl4 Mn N8 O4
• Calculated formula: C4 H18 Cl4 Mn N8 O4
• SMILES: C(=O)(N)NC(=[NH2+])N.[OH2][Mn](Cl)(Cl)([OH2])(Cl)Cl.C(=O)(N)NC(=[NH2+])N
• Title of publication: Bis(1-carbamoylguanidinium) diaquatetrachloromanganate(II)
• Authors of publication: Bremner, Colin A.; Harrison, William T. A.
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2003
• Journal volume: 59
• Journal issue: 8
• Pages of publication: m596 - m598
• a: 6.4106 ± 0.0003 Å
• b: 11.4036 ± 0.0006 Å
• c: 11.5775 ± 0.0006 Å
• α: 90°
• β: 103.64 ± 0.001°
• γ: 90°
• Cell volume: 822.49 ± 0.07 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 6
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.05
• Residual factor for significantly intense reflections: 0.0311
• Weighted residual factors for significantly intense reflections: 0.0719
• Weighted residual factors for all reflections included in the refinement: 0.0779
• Goodness-of-fit parameter for all reflections included in the refinement: 0.946
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes