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Poly[[diaqua-(3-carb-oxy-5-nitro-ben-zo-ato)(?-5-nitro-benzene-1,3-dicarboxyl-ato)neodymium(III)] 2.5-hydrate].

ABSTRACT: In the title compound, {[Nd(C(8)H(3)NO(6))(C(8)H(4)NO(6))(H(2)O)(2)]·2.5H(2)O}(n), the Nd(II) ion is nine-coordinated by seven O atoms from five carboxyl-ate groups and two water mol-ecules. The [Nd(C(8)H(3)NO(6))(H(2)O)(2)](2+) units are bridged by 5-nitro-isophthalate dianions, forming polymeric sheets parallel to the ab plane. The polymeric sheets are linked into a three-dimensional network by O-H?O and C-H?O hydrogen bonds, and ?-? inter-actions [centroid-centroid distance = 3.5533?(11)?Å]. The 5-nitro-isophthalate(1-) anion is disordered over three positions with an occupancy ratio of 0.68:0.23:0.09. Two of the uncoordinated water mol-ecules are disordered over two positions, with occupancy ratios of 0.722?(15):0.278?(15) and 0.279?(6):0.221?(6), respectively.

SUBMITTER: Raime NN

PROVIDER: S-EPMC2970002 | biostudies-literature | 2009 Aug

REPOSITORIES: biostudies-literature

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Poly[[diaqua-(3-carb-oxy-5-nitro-ben-zo-ato)(μ-5-nitro-benzene-1,3-dicarboxyl-ato)neodymium(III)] 2.5-hydrate].

Raime Nurul-Nadia NN Adnan Rohana R Rosli Mohd Mustaqim MM Fun Hoong-Kun HK

Acta crystallographica. Section E, Structure reports online 20090822 Pt 9

In the title compound, {[Nd(C(8)H(3)NO(6))(C(8)H(4)NO(6))(H(2)O)(2)]·2.5H(2)O}(n), the Nd(II) ion is nine-coordinated by seven O atoms from five carboxyl-ate groups and two water mol-ecules. The [Nd(C(8)H(3)NO(6))(H(2)O)(2)](2+) units are bridged by 5-nitro-isophthalate dianions, forming polymeric sheets parallel to the ab plane. The polymeric sheets are linked into a three-dimensional network by O-H⋯O and C-H⋯O hydrogen bonds, and π-π inter-actions [centroid-centroid distance = 3.5533 (11) Å]. ...[more]

PMID: 21577454

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