Information card for entry 4062404

Structure parameters

• Common name: (iPr4Xan)Zr2Cp2H4
• Formula: C39 H54 N4 O Zr2
• Calculated formula: C39 H54 N4 O Zr2
• SMILES: [Zr]12456789%10([ZrH]%11%13%14%15%16([N](=C(N%11C(C)C)c%11c%12Oc%17c(C(=[N]1C(C)C)N2C(C)C)cccc%17C(C)(C)c%12ccc%11)C(C)C)([cH]1[cH]%16[cH]%15[cH]%14[cH]%131)([H]8)([H]9)[H]%10)[cH]1[cH]7[cH]6[cH]5[cH]41
• Title of publication: Dizirconium Complexes Supported by Preorganized Binucleating Bis(amidinates)
• Authors of publication: Hagadorn, John R.; McNevin, Michael J.; Wiedenfeld, Grant; Shoemaker, Richard
• Journal of publication: Organometallics
• Year of publication: 2003
• Journal volume: 22
• Journal issue: 23
• Pages of publication: 4818 - 4824
• a: 23.1814 ± 0.0006 Å
• b: 13.7921 ± 0.0004 Å
• c: 11.6429 ± 0.0003 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 3722.47 ± 0.17 ų
• Cell temperature: 138 ± 2 K
• Ambient diffraction temperature: 138 ± 2 K
• Number of distinct elements: 5
• Space group number: 33
• Hermann-Mauguin space group symbol: P n a 21
• Hall space group symbol: P 2c -2n
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No