Information card for entry 4100955

Structure parameters

• Formula: C36 H40 Cl Mn3 N8 O14
• Calculated formula: C30 H30 Cl7 Mn3 N6 O14
• SMILES: [Mn]1234567[Mn]89%10%11([Mn]%121([n]1ccccc1C(=[N]%12O2)C)(O[N]9=C(c1[n]8cccc1)C)(OC(=[O]6)C)(OC(=[O]%10)C)[O]7%11)(O[N]4=C(c1[n]3cccc1)C)OC(=[O]5)C.Cl(=O)(=O)(=O)[O-].C(Cl)Cl.C(Cl)Cl.C(Cl)Cl
• Authors of publication: Li, Lei; Narducci Sarjeant, Amy A.; Vance, Michael A.; Zakharov, Lev. N.; Rheingold, Arnold L.; Solomon, Edward I.; Karlin, Kenneth D.
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 2005
• a: 12.986 ± 0.005 Å
• b: 14.978 ± 0.006 Å
• c: 23.15 ± 0.01 Å
• α: 90°
• β: 93.82 ± 0.02°
• γ: 90°
• Cell volume: 4493 ± 3 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/c 1
• Hall space group symbol: -P 2ybc
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No