Information card for entry 4062403

Structure parameters

• Common name: (iPr4Xan)Zr2Cp2Cl4
• Formula: C39 H50 Cl4 N4 O Zr2
• Calculated formula: C39 H50 Cl4 N4 O Zr2
• SMILES: [Zr]13456(Cl)(Cl)([N](C(C)C)=C(N1C(C)C)c1cccc2c1Oc1c(C2(C)C)cccc1C1=[N](C(C)C)[Zr]789%10(Cl)(Cl)(N1C(C)C)[cH]1[cH]%10[cH]9[cH]8[cH]71)[cH]1[cH]3[cH]4[cH]5[cH]61
• 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: 12.7785 ± 0.0004 Å
• b: 18.0385 ± 0.0005 Å
• c: 17.8506 ± 0.0005 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 4114.7 ± 0.2 ų
• Cell temperature: 137 ± 2 K
• Ambient diffraction temperature: 137 ± 2 K
• Number of distinct elements: 6
• 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