Information card for entry 4061419

Structure parameters

• Formula: C44 H60 B10 N7 O3 P Zr
• Calculated formula: C44 H61 B10 N7 O3 P Zr
• SMILES: P1(N(C(C)C)C(C)C)[C]2345[C]678([Zr]9%10%11%12%13%14([O]=C(N(C)C)N(c%15ccccc%15)C(=[O]9)Nc9ccccc9)([O]=C(N(C)C)N%10c9ccccc9)[c]91[cH]%11[cH]%12[c]1%14cccc[c]%1391)[BH]192[BH]2%106[BH]6%117[BH]738[BH]38%11[BH]%11%106[BH]692[BH]241[BH]573[BH]8%1162.CN=C
• Journal of publication: Organometallics
• Year of publication: 2005
• a: 11.0333 ± 0.0007 Å
• b: 12.1012 ± 0.0008 Å
• c: 20.0853 ± 0.0013 Å
• α: 102.192 ± 0.002°
• β: 91.256 ± 0.002°
• γ: 102.5 ± 0.001°
• Cell volume: 2552.7 ± 0.3 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 7
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No