Information card for entry 8100206

Structure parameters

• Formula: C42 H38 N4 Ni O5
• Calculated formula: C42 H38 N4 Ni O5
• SMILES: [Ni@@]123N(C(=O)[C@H]4[N]1(CCC4)Cc1ccccc1)c1ccccc1C(=[N]2[C@H](C(=O)O3)[C@H](Nc1ccc(cc1)C(=O)OC)c1ccccc1)c1ccccc1
• Title of publication: Crystal structure of {(S)-N-[2-(N-benzylprolyl)aminobenzophenone]- [(2S,3R)-3-N-[(4-methoxycarbonyl)phenylamine]-3-phenylpropanoic acid- O,N,N',N"]}nickel(II), Ni(C~42~H~38~N~4~O~5~)
• Authors of publication: Uytterhoeven, Koen; Soloshonok, Vadim; Van Meervelt, Luc
• Journal of publication: Zeitschrift für Kristallographie - New Crystal Structures
• Year of publication: 2004
• Journal volume: 219
• Journal issue: 4
• Pages of publication: 453 - 454
• a: 8.435 ± 0.004 Å
• b: 10.743 ± 0.003 Å
• c: 39.659 ± 0.008 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 3594 ± 2 ų
• Cell temperature: 289 ± 2 K
• Ambient diffraction temperature: 289 ± 2 K
• Number of distinct elements: 5
• Space group number: 19
• Hermann-Mauguin space group symbol: P 21 21 21
• Hall space group symbol: P 2ac 2ab
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No