Three isotypic polymeric complexes with rare earth cations, but-2-enoate anions and 4,4'-(ethane-1,2-diyl)dipyridine and 4,4'-(ethene-1,2-diyl)dipyridine bridging ligands
Atria, Ana María; Garland, Maria Teresa; Baggio, Ricardo; Acta Crystallographica Section C 71 (2015) –; doi:10.1107/S2053229615004751

data_2019904
_publ_section_title
;
 Three isotypic polymeric complexes with rare earth cations, but-2-enoate
 anions and 4,4'-(ethane-1,2-diyl)dipyridine and
 4,4'-(ethene-1,2-diyl)dipyridine bridging ligands
;
_journal_coeditor_code           FP3007
_journal_issue                   4
_journal_name_full               'Acta Crystallographica Section C'
_journal_page_first
;
;
_journal_paper_doi               10.1107/S2053229615004751
_journal_volume                  71
_journal_year                    2015
_chemical_formula_iupac          '[Gd2 (C4 H5 O2)6 (C12 H12 N2) (H2 O1)2]'
_chemical_formula_moiety         'C36 H46 Gd2 N2 O14'
_chemical_formula_sum            'C36 H46 Gd2 N2 O14'
_chemical_formula_weight         1045.25
_chemical_name_systematic
;
<i>catena</i>-Poly[[aquabis(but-2-enoato-\k^2^<i>O</i>:<i>O</i>')\
gadolinium(III)]-\
bis(\m-but-2-enoato)-\k^3^<i>O</i>,<i>O</i>':<i>O</i>;\k^3^<i>O</i>:\
<i>O</i>,<i>O</i>-[aquabis(but-2-enoato-\k^2^<i>O</i>:<i>O</i>')\
gadolinium(III)]-\m-4,4'-(ethane-1,2-diyl)dipyridine-\k^2^<i>N</i>:<i>N</i>']
;
_space_group_crystal_system      triclinic
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_space_group_name_Hall           '-P 1'
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_computing_cell_refinement
;
SAINT-NT (Bruker, 2001)
;
_computing_data_collection
;
SMART-NT (Bruker, 2001)
;
_computing_data_reduction
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SAINT-NT (Bruker, 2001)
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_computing_molecular_graphics
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SHELXTL (Sheldrick, 2008)
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SHELXTL (Sheldrick, 2008) and PLATON (Spek, 2009)
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SHELXL2014 (Sheldrick, 2015)
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_computing_structure_solution
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SHELXS97 (Sheldrick, 2008)
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_diffrn_measurement_device_type  'Bruker SMART CCD area-detector'
_diffrn_measurement_method       'CCD rotation images, thin slices'
_diffrn_radiation_type           MoK\a
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_diffrn_reflns_av_R_equivalents  0.0108
_diffrn_reflns_limit_h_max       11
_diffrn_reflns_limit_h_min       -11
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;
(SADABS in SAINT-NT; Bruker, 2001)
;
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_refine_ls_number_restraints     3
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_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'w = 1/[\s^2^(Fo^2^)+(0.0230P)^2^+1.0936P] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0454
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_reflns_number_gt                3983
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_reflns_threshold_expression     I>2\s(I)
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