Information card for entry 7042799

Structure parameters

• Formula: C64 H86 Fe2 Ni4 O2 P4
• Calculated formula: C64 H86 Fe2 Ni4 O2 P4
• SMILES: [c]123[cH]4[cH]5[cH]6[cH]1[Fe]17893456[c]3([cH]1[cH]7[cH]8[cH]93)[P]1([Ni]3456([P]2(C(C)(C)C)[Ni]27891[cH]1[cH]2[cH]7[cH]9[cH]81)[cH]1[c]4([cH]5[cH]6[cH]31)[c]12[cH]3[cH]4[cH]5[cH]1[Ni]12345[P]2([c]34[cH]5[cH]6[cH]7[cH]3[Fe]389%104567[c]4([cH]3[cH]9[cH]%10[cH]84)[P]1(C(C)(C)C)[Ni]13452[cH]2[cH]5[cH]4[cH]3[cH]12)C(C)(C)C)C(C)(C)C.O1CCCC1.O1CCCC1
• Title of publication: Phosphido complexes derived from 1,1’-ferrocenediyl-bridged secondary diphosphines
• Authors of publication: Hitzel, Sandra; Färber, Christian; Bruhn, Clemens; Siemeling, Ulrich
• Journal of publication: Dalton Trans.
• Year of publication: 2017
• a: 14.0188 ± 0.0008 Å
• b: 10.6198 ± 0.0005 Å
• c: 20.1658 ± 0.0012 Å
• α: 90°
• β: 96.178 ± 0.005°
• γ: 90°
• Cell volume: 2984.8 ± 0.3 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 2 K
• Number of distinct elements: 6
• 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: 0.1654
• Residual factor for significantly intense reflections: 0.0812
• Weighted residual factors for significantly intense reflections: 0.1681
• Weighted residual factors for all reflections included in the refinement: 0.212
• Goodness-of-fit parameter for all reflections included in the refinement: 1.068
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No