Information card for entry 1500008

Structure parameters

• Formula: C24 H112 Cl7 Co6 N24 O26 P5
• Calculated formula: C24 H96 Cl7 Co6 N24 O26 P5
• SMILES: [Co]123([NH2]CC[NH2]1)([NH2]CC[NH2]2)OP1(=O)O[Co]24([NH2]CC[NH2]2)([NH2]CC[NH2]4)OP(O)(O3)=[O][Co]23([NH2]CC[NH2]2)([NH2]CC[NH2]3)O1.[Co]123([NH2]CC[NH2]1)([NH2]CC[NH2]2)OP1(=O)O[Co]24([NH2]CC[NH2]2)([NH2]CC[NH2]4)OP(O)(O3)=[O][Co]23([NH2]CC[NH2]2)([NH2]CC[NH2]3)O1.P(=O)(O)(O)[O-].[Cl-].[Cl-].[Cl-].[Cl-].[Cl-].[Cl-].[Cl-].O.O.O.O.O.O
• Title of publication: A trinuclear cobalt(III) phosphate complex with a novel molecular structure: Synthesis and crystal structure of {[Co(en)~2~]~3~(PO~4~)(HPO~4~)}~2~(H~2~PO~4~)Cl~7~.6H~2~O
• Authors of publication: Rajni Sharma; Raj Pal Sharma; Ritu Bala; Miguel Quirós; Juan M. Salas
• Journal of publication: Inorganic Chemistry Communications
• Year of publication: 2006
• Journal volume: 9
• Pages of publication: 782 - 784
• a: 12.8349 ± 0.0009 Å
• b: 18.7451 ± 0.0013 Å
• c: 16.002 ± 0.0011 Å
• α: 90°
• β: 109.23 ± 0.001°
• γ: 90°
• Cell volume: 3635.1 ± 0.4 ų
• Cell temperature: 298 ± 2 K
• Ambient diffraction temperature: 298 ± 2 K
• Number of distinct elements: 7
• Space group number: 4
• Hermann-Mauguin space group symbol: P 1 21 1
• Hall space group symbol: P 2yb
• Residual factor for all reflections: 0.0457
• Residual factor for significantly intense reflections: 0.0406
• Weighted residual factors for significantly intense reflections: 0.095
• Weighted residual factors for all reflections included in the refinement: 0.0975
• Goodness-of-fit parameter for all reflections included in the refinement: 1.038
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No