Information card for entry 4085799

Structure parameters

• Common name: Cp14Y6H3Cl / Cp15Y6H3
• Formula: C78.18 H82.18 Cl0.76 Y6
• Calculated formula: C78.185 H82.185 Cl0.763 Y6
• SMILES: [Y]123456789%10%11%12%13([H][Y]%14%15%16%17%18%19%20%21%22%23%24%25([cH]%26%27[cH]%28%17[Y]%17%29%30%31%32%33%34%35%36%37%26([H][Y]%26%38%39%40%41%42%43%44%45%46%47%48([cH]%49%50[Y]%51%52%53%54%55%56%57%58%59%60%61([H][Y]%62%63%64%65%66%67%68%69%70%71%72%73([cH]%741[cH]5%65[cH]4%64[cH]3%63[cH]2%62%74)([cH]1[cH]%69[cH]%68[cH]%67[cH]%661)[cH]1[cH]%73[cH]%72[cH]%71[cH]%701)([cH]%26%49[cH]%38%51[cH]%39%52[cH]%40%50%53)([cH]1[cH]%57[cH]%56[cH]%55[cH]%541)[cH]1[cH]%61[cH]%60[cH]%59[cH]%581)([cH]1[cH]%41[cH]%42[cH]%43[cH]%441)[cH]1[cH]%48[cH]%47[cH]%46[cH]%451)([cH]%14%27[cH]%15%17[cH]%16%28%29)([cH]1[cH]%30[cH]%31[cH]%32[cH]%331)[cH]1[cH]%34[cH]%35[cH]%36[cH]%371)([cH]1[cH]%21[cH]%20[cH]%19[cH]%181)[cH]1[cH]%25[cH]%24[cH]%23[cH]%221)([cH]1[cH]9[cH]8[cH]7[cH]61)[cH]1[cH]%10[cH]%11[cH]%12[cH]%131.c1c(cccc1)C.[Y]123456789([H][Y]%10%11%12%13%14%15%16%17%18%19%20%21([cH]%22%23[cH]%24%13[Y]%13%25%26%27%28%29%30%31%32%33%22([H][Y]%22%34%35%36%37%38%39%40%41%42%43%44([cH]%45%46[Y]%47%48%49%50%51%52%53%54%55%56%57([H][Y]%58%59%60%61%62%63%64%65([Cl]1)([cH]1[cH]%61[cH]%60[cH]%59[cH]%581)[cH]1[cH]%65[cH]%64[cH]%63[cH]%621)([cH]%22%45[cH]%34%47[cH]%35%48[cH]%36%46%49)([cH]1[cH]%53[cH]%52[cH]%51[cH]%501)[cH]1[cH]%57[cH]%56[cH]%55[cH]%541)([cH]1[cH]%37[cH]%38[cH]%39[cH]%401)[cH]1[cH]%44[cH]%43[cH]%42[cH]%411)([cH]%10%23[cH]%11%13[cH]%12%24%25)([cH]1[cH]%26[cH]%27[cH]%28[cH]%291)[cH]1[cH]%30[cH]%31[cH]%32[cH]%331)([cH]1[cH]%17[cH]%16[cH]%15[cH]%141)[cH]1[cH]%21[cH]%20[cH]%19[cH]%181)([cH]1[cH]5[cH]4[cH]3[cH]21)[cH]1[cH]6[cH]7[cH]8[cH]91.c1c(cccc1)C.[Y]123456789([H][Y]%10%11%12%13%14%15%16%17%18%19%20%21([cH]%22%23[cH]%24%13[Y]%13%25%26%27%28%29%30%31%32%33%22([H][Y]%22%34%35%36%37%38%39%40%41%42%43%44([cH]%45%46[Y]%47%48%49%50%51%52%53%54%55%56%57([H][Y]%58%59%60%61%62%63%64%65([Cl]1)([cH]1[cH]%61[cH]%60[cH]%59[cH]%581)[cH]1[cH]%65[cH]%64[cH]%63[cH]%621)([cH]%22%45[cH]%34%47[cH]%35%48[cH]%36%46%49)([cH]1[cH]%53[cH]%52[cH]%51[cH]%501)[cH]1[cH]%57[cH]%56[cH]%55[cH]%541)([cH]1[cH]%37[cH]%38[cH]%39[cH]%401)[cH]1[cH]%44[cH]%43[cH]%42[cH]%411)([cH]%10%23[cH]%11%13[cH]%12%24%25)([cH]1[cH]%26[cH]%27[cH]%28[cH]%291)[cH]1[cH]%30[cH]%31[cH]%32[cH]%331)([cH]1[cH]%17[cH]%16[cH]%15[cH]%141)[cH]1[cH]%21[cH]%20[cH]%19[cH]%181)([cH]1[cH]5[cH]4[cH]3[cH]21)[cH]1[cH]6[cH]7[cH]8[cH]91.c1c(cccc1)C.[Y]123456789([H][Y]%10%11%12%13%14%15%16%17%18%19%20%21([cH]%22%23[cH]%24%13[Y]%13%25%26%27%28%29%30%31%32%33%22([H][Y]%22%34%35%36%37%38%39%40%41%42%43%44([cH]%45%46[Y]%47%48%49%50%51%52%53%54%55%56%57([H][Y]%58%59%60%61%62%63%64%65([Cl]1)([cH]1[cH]%61[cH]%60[cH]%59[cH]%581)[cH]1[cH]%65[cH]%64[cH]%63[cH]%621)([cH]%22%45[cH]%34%47[cH]%35%48[cH]%36%46%49)([cH]1[cH]%53[cH]%52[cH]%51[cH]%501)[cH]1[cH]%57[cH]%56[cH]%55[cH]%541)([cH]1[cH]%37[cH]%38[cH]%39[cH]%401)[cH]1[cH]%44[cH]%43[cH]%42[cH]%411)([cH]%10%23[cH]%11%13[cH]%12%24%25)([cH]1[cH]%26[cH]%27[cH]%28[cH]%291)[cH]1[cH]%30[cH]%31[cH]%32[cH]%331)([cH]1[cH]%17[cH]%16[cH]%15[cH]%141)[cH]1[cH]%21[cH]%20[cH]%19[cH]%181)([cH]1[cH]5[cH]4[cH]3[cH]21)[cH]1[cH]6[cH]7[cH]8[cH]91.c1c(cccc1)C
• Title of publication: Reactivity of Yttrium Methyl Complexes: Hydrido Transfer Capability of Selected Alkylalanes
• Authors of publication: Schädle, Christoph; Maichle-Mössmer, Cäcilia; Törnroos, Karl W.; Anwander, Reiner
• Journal of publication: Organometallics
• Year of publication: 2015
• Journal volume: 34
• Journal issue: 11
• Pages of publication: 2667
• a: 23.8229 ± 0.0016 Å
• b: 14.5891 ± 0.001 Å
• c: 19.8584 ± 0.0013 Å
• α: 90°
• β: 108.063 ± 0.001°
• γ: 90°
• Cell volume: 6561.7 ± 0.8 ų
• Cell temperature: 103 ± 2 K
• Ambient diffraction temperature: 103 ± 2 K
• Number of distinct elements: 4
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.0661
• Residual factor for significantly intense reflections: 0.0482
• Weighted residual factors for significantly intense reflections: 0.12
• Weighted residual factors for all reflections included in the refinement: 0.1337
• Goodness-of-fit parameter for all reflections included in the refinement: 1.082
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No