Structure of a dinuclear cadmium complex with 2,2'-bipyridine, monodentate nitrate and 3-carboxy-6-methylpyridine-2-carboxylate ligands: intramolecular carbonyl(lone pair)···π(ring) and nitrate(π)···π(ring) interactions.
Granifo, Juan; Suarez, Sebastián; Baggio, Ricardo; Acta Crystallographica Section E 71 (2015) 890–894; doi:10.1107/S2056989015012384

data_2240904
_publ_section_title
;
 Structure of a dinuclear cadmium complex with 2,2'-bipyridine,
 monodentate nitrate and 3-carboxy-6-methylpyridine-2-carboxylate ligands:
 intramolecular carbonyl(lone pair)&#x00B7;&#x00B7;&#x00B7;\p(ring) and
 nitrate(\p)&#x00B7;&#x00B7;&#x00B7;\p(ring) interactions.
;
_journal_coeditor_code           SJ5468
_journal_issue                   8
_journal_name_full               'Acta Crystallographica Section E'
_journal_page_first              890
_journal_page_last               894
_journal_paper_doi               10.1107/S2056989015012384
_journal_volume                  71
_journal_year                    2015
_chemical_formula_iupac
'[Cd2 (C8 H6 N O4)2 (N O3)2 (C10 H8 N2)2], C H4 O'
_chemical_formula_moiety         'C36 H28 Cd2 N8 O14, C H4 O'
_chemical_formula_sum            'C37 H32 Cd2 N8 O15'
_chemical_formula_weight         1053.50
_chemical_name_systematic
;Bis(\m-3-carboxy-6-methylpyridine-2-carboxylato)-\k^3^<i>N</i>,<i>O</i>^2^:<i>O</i>^2^;\k^3^<i>O</i>^2^:<i>N</i>,<i>O</i>^2^-bis[(2,2'-bipyridine-\k^2^<i>N</i>,<i>N</i>'))(nitrato-\k<i>O</i>)cadmium]
methanol monosolvate
;
_space_group_crystal_system      triclinic
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_space_group_name_Hall           '-P 1'
_space_group_name_H-M_alt        'P -1'
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_cell_length_b                   10.9626(6)
_cell_length_c                   11.5056(4)
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_cell_measurement_theta_min      3.76
_cell_volume                     1001.79(9)
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;
CrysAlis PRO (Oxford Diffraction, 2009)
;
_computing_data_collection
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CrysAlis PRO (Oxford Diffraction, 2009)
;
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CrysAlis PRO (Oxford Diffraction, 2009)
;
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SHELXTL (Sheldrick, 2008)
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SHELXL2014 (Sheldrick, 2015) 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_measured_fraction_theta_full 0.997
_diffrn_measured_fraction_theta_max 0.899
_diffrn_measurement_device_type  'Oxford Diffraction Gemini CCD S Ultra'
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_diffrn_radiation_source         'fine-focus sealed tube'
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_reflns_av_R_equivalents  0.0569
_diffrn_reflns_limit_h_max       11
_diffrn_reflns_limit_h_min       -11
_diffrn_reflns_limit_k_max       14
_diffrn_reflns_limit_k_min       -14
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_diffrn_reflns_limit_l_min       -15
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_diffrn_reflns_theta_min         3.630
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;
(CrysAlis PRO; Oxford Diffraction, 2009)
;
_exptl_crystal_colour            colourless
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_exptl_crystal_size_mid          0.14
_exptl_crystal_size_min          0.10
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_refine_diff_density_min         -0.739
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_refine_ls_number_restraints     4
_refine_ls_restrained_S_all      1.012
_refine_ls_R_factor_all          0.0462
_refine_ls_R_factor_gt           0.0359
_refine_ls_shift/su_max          0.000
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'w=1/[\s^2^(Fo^2^)+(0.0394P)^2^+1.5425P] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0846
_refine_ls_wR_factor_ref         0.0920
_reflns_number_gt                4155
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_reflns_threshold_expression     'I > 2\s(I)'
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