Information card for entry 8100041

Structure parameters

• Formula: C34 H30 N8 Ni O2
• Calculated formula: C34 H30 N8 Ni O2
• SMILES: c12cc(cc3N=C4c5c(C6=Nc7cc(cc8N=C9c%10c(C(=N2)N9[Ni]([n]13)(N46)[n]78)cccc%10)OCCCC)cccc5)OCCCC
• Title of publication: Crystal structure of [9,22-(bisbutyloxy)hemiporphyrazinato]nickel(II), C~34~H~30~N~8~O~2~Ni
• Authors of publication: Haberroth, K.; Hanack, M.; Maichle-Mössmer, C.
• Journal of publication: Zeitschrift für Kristallographie - New Crystal Structures
• Year of publication: 2004
• Journal volume: 219
• Journal issue: 2
• Pages of publication: 127 - 128
• a: 14.048 ± 0.004 Å
• b: 4.7256 ± 0.0001 Å
• c: 21.491 ± 0.006 Å
• α: 90°
• β: 99.1 ± 0.01°
• γ: 90°
• Cell volume: 1409.8 ų
• Cell temperature: 293 K
• Ambient diffraction temperature: 293 K
• Number of distinct elements: 5
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Duplicate of: 8100025
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No