Information card for entry 7100210

Structure parameters

• Formula: C40 H56 Cl N8 O46 V16
• Calculated formula: C40 H42 Cl N8 O46 V16
• SMILES: c1cccc[nH+]1.c1cccc[nH+]1.[nH+]1ccccc1.[O]12[V]34([O]5[V]61(O[V]17(O[V]85([O]3[V]35([O]4[V]49([O]3[V]([O]3[V]%10%11([O]%12[V]%13%14([O]%10[V]([O]%13[V]%10([O]%14[V]%13(O[V]2([O]6[V](=O)(=O)[O]%10%13)(O4)=O)(O[V]3%12(O9)=O)=O)(O7)=O)(O[V](O8)(O5)(O%11)=O)(O1)=O)=O)=O)(=O)=O)=O)=O)=O)=O)=O)=O.c1cccc[nH+]1.c1ccccn1.[Cl-].O.O.c1cccc[nH+]1.c1cccc[nH+]1.[nH+]1ccccc1.O.O
• Title of publication: Synthesis and characterization of a novel polyoxovanadate cluster
• Authors of publication: M. Khan; Samar Ayesh; Robert Doedens
• Journal of publication: Chemical Communications
• Year of publication: 2005
• a: 16.205 ± 0.004 Å
• b: 20.186 ± 0.005 Å
• c: 22.101 ± 0.005 Å
• α: 90°
• β: 91.94 ± 0.03°
• γ: 90°
• Cell volume: 7225 ± 3 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 2 K
• Number of distinct elements: 6
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No