Information card for entry 4310726

Structure parameters

• Formula: C116 H89 Cl N8 Ni2 Pt
• Calculated formula: C116 H89 Cl N8 Ni2 Pt
• SMILES: [Pt]1(c2c(C3=C4[N]1=CC1=C(c5ccc6=C(c7ccc8C(=c9ccc3[n]9[Ni](C41Cc1ccccc1)(n78)[n]56)c1ccc(cc1)C)c1ccc(cc1)C)c1ccc(cc1)C)ccc(c2)C)(Cl)[N]1C2=C(c3ccc4=C(c5ccc6C(=c7ccc8C(=C(C=1)C2([Ni](n56)([n]34)[n]78)Cc1ccccc1)c1ccc(cc1)C)c1ccc(cc1)C)c1ccc(cc1)C)c1ccc(cc1)C.c1ccccc1
• Title of publication: Diastereoselective Assembling of 21-C-Alkylated Nickel(II) Complexes of Inverted Porphyrin on a Platinum(II) Template
• Authors of publication: Piotr J. Chmielewski; Izabela Schmidt
• Journal of publication: Inorganic Chemistry
• Year of publication: 2004
• Journal volume: 43
• Pages of publication: 1885 - 1894
• a: 22.8081 ± 0.0016 Å
• b: 27.075 ± 0.002 Å
• c: 30.787 ± 0.002 Å
• α: 90°
• β: 103.255 ± 0.006°
• γ: 90°
• Cell volume: 18505 ± 2 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 6
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for all reflections: 0.3302
• Residual factor for significantly intense reflections: 0.1434
• Weighted residual factors for significantly intense reflections: 0.2121
• Weighted residual factors for all reflections included in the refinement: 0.2737
• Goodness-of-fit parameter for all reflections included in the refinement: 1.069
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No