Information card for entry 8100472

Structure parameters

• Formula: C28 H44 Cl2 Mg N4 O6
• Calculated formula: C28 H44 Cl2 Mg N4 O6
• SMILES: Clc1cc2CN(CCOCCN(Cc3c4O[Mg]567(Oc2c(c1)C[N]5(C)CC[O]6CC[N]7(Cc4cc(c3)Cl)C)[OH2])C)C.O
• Title of publication: Crystal structure of 13,27-dichloro-29,30-dihydroxy-3,9,17,23-tetramethyl- 6,20-dioxa-3,9,17,23-tetraazatri-cyclo[23.3.1.1^11.15^]triaconta-1 (29),11,13,15(30),25,27-hexaene-(aqua)magnesium hydrate, Mg[C~28~H~40~Cl~2~N~4~O~4~(H~2~O)] · H~2~O
• Authors of publication: Nazarenko, Alexander Y.; Dalley, N. Kent; Bradshaw, Jerald S.; Pastushok, Victor N.; Lamb, John D.
• Journal of publication: Zeitschrift für Kristallographie - New Crystal Structures
• Year of publication: 2003
• Journal volume: 218
• Journal issue: 4
• Pages of publication: 569 - 571
• a: 10.397 ± 0.003 Å
• b: 11.152 ± 0.003 Å
• c: 14.728 ± 0.005 Å
• α: 74.25 ± 0.02°
• β: 80.51 ± 0.02°
• γ: 77 ± 0.02°
• Cell volume: 1591.6 ± 0.9 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 6
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No