Information card for entry 4062616

Structure parameters

• Formula: C30 H49 Cl2 N Ni O2 P2 S2
• Calculated formula: C30 H49 Cl2 N Ni O2 P2 S2
• SMILES: [Ni]1(SP(=O)(S1)OCC)([P](C1CCCCC1)(C1CCCCC1)C1CCCCC1)C#[N]c1c(cccc1C)C.C(Cl)Cl
• Title of publication: Alkyl Transfer Reactivity in the First Octahedral Isocyanide Complex of Nickel(II)
• Authors of publication: Enmanuel Boillos; Daniel Miguel
• Journal of publication: Organometallics
• Year of publication: 2004
• a: 16.5217 ± 0.0012 Å
• b: 13.9033 ± 0.001 Å
• c: 15.3086 ± 0.0011 Å
• α: 90°
• β: 90.104 ± 0.002°
• γ: 90°
• Cell volume: 3516.5 ± 0.4 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 8
• 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