Information card for entry 2016308

Structure parameters

• Chemical name: catena-poly[(dipyrido[3,2-a:2',3'-c]phenazine-κ^2^N,N')nickel(II)]-μ-\ 2,6-dipicolinato-κ^3^O^2^,O^6^:O^2'^]
• Formula: C25 H13 N5 Ni O4
• Calculated formula: C25 H13 N5 Ni O4
• SMILES: [Ni]123([n]4c(C(=O)O2)cccc4C(=O)O3)([n]2cccc3c4c(c5ccc[n]1c5c23)nc1c(cccc1)n4)[O]=C1c2cccc3C(=O)O[Ni]4([n]23)([n]2cccc3c5c(c6ccc[n]4c6c23)nc2c(cccc2)n5)O1
• Title of publication: A one-dimensional nickel(II) coordination polymer containing 2,6-dipicolinate and dipyrido[3,2-<i>a</i>:2',3'-<i>c</i>]phenazine
• Authors of publication: Ma, Yi; Zhang, Li-Tian; Wang, Xiao-Fang; He, Yong-Ke; Han, Zheng-Bo
• Journal of publication: Acta Crystallographica Section C
• Year of publication: 2007
• Journal volume: 63
• Journal issue: 12
• Pages of publication: m573 - m575
• a: 7.3482 ± 0.0011 Å
• b: 35.825 ± 0.004 Å
• c: 7.8986 ± 0.0012 Å
• α: 90°
• β: 106.906 ± 0.012°
• γ: 90°
• Cell volume: 1989.4 ± 0.5 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 5
• 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: 0.0535
• Residual factor for significantly intense reflections: 0.0401
• Weighted residual factors for significantly intense reflections: 0.1009
• Weighted residual factors for all reflections included in the refinement: 0.1111
• Goodness-of-fit parameter for all reflections included in the refinement: 1.08
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes