Crystal structure of poly[(4-aminopyridine-κ<i>N</i>)(<i>N</i>,<i>N</i>-dimethylformamide-κ<i>O</i>)(μ~3~-pyridine-3,5-dicarboxylato-κ^3^<i>N</i>:<i>O</i>^3^:<i>O</i>^5^)copper(II)]
Shen, Cheng-Chen; Hua, Xiu-Ni; Han, Lei; Acta Crystallographica Section E 72 (2016) 440–443; doi:10.1107/S205698901600342X

data_2241593
_publ_section_title
;
 Crystal structure of
 poly[(4-aminopyridine-\k<i>N</i>)(<i>N</i>,<i>N</i>-dimethylformamide-\k<i>O</i>)(\m~3~-pyridine-3,5-dicarboxylato-\k^3^<i>N</i>:<i>O</i>^3^:<i>O</i>^5^)copper(II)]
;
_journal_coeditor_code           LH5806
_journal_issue                   4
_journal_name_full               'Acta Crystallographica Section E'
_journal_page_first              440
_journal_page_last               443
_journal_paper_doi               10.1107/S205698901600342X
_journal_volume                  72
_journal_year                    2016
_chemical_formula_iupac          '[Cu (C7 H3 N O4) (C5 H6 N2) (C3 H7 N O)]'
_chemical_formula_moiety         'C15 H16 Cu N4 O5'
_chemical_formula_sum            'C15 H16 Cu N4 O5'
_chemical_formula_weight         395.86
_chemical_name_systematic
Poly[(4-aminopyridine-\k<i>N</i>)(<i>N</i>,<i>N</i>-dimethylformamide-\k<i>O</i>)(\m~3~-pyridine-3,5-dicarboxylato-\k^3^<i>N</i>:<i>O</i>^3^:<i>O</i>^5^)copper(II)]
_space_group_IT_number           19
_space_group_name_Hall           'P 2ac 2ab'
_symmetry_cell_setting           orthorhombic
_symmetry_space_group_name_Hall  'P 2ac 2ab'
_symmetry_space_group_name_H-M   'P 21 21 21'
_atom_sites_solution_hydrogens   geom
_atom_sites_solution_primary     direct
_atom_sites_solution_secondary   difmap
_audit_creation_method           SHELXL-97
_cell_angle_alpha                90.00
_cell_angle_beta                 90.00
_cell_angle_gamma                90.00
_cell_formula_units_Z            4
_cell_length_a                   8.3365(17)
_cell_length_b                   10.453(2)
_cell_length_c                   19.030(4)
_cell_measurement_reflns_used    2974
_cell_measurement_temperature    293(2)
_cell_measurement_theta_max      27.47
_cell_measurement_theta_min      3.13
_cell_volume                     1658.3(6)
_computing_cell_refinement
;
SAINT (Bruker, 2014)
;
_computing_data_collection
;
APEX2 (Bruker, 2014)
;
_computing_data_reduction
;
SAINT (Bruker, 2014)
;
_computing_molecular_graphics
;
XP in SHELXTL-plus (Sheldrick, 2008)
;
_computing_publication_material
;
publCIF (Westrip, 2010)
;
_computing_structure_refinement
;
SHELXL2014 (Sheldrick, 2015<i>b</i>)
;
_computing_structure_solution
;
<i>SHELXT</i> (Sheldrick, 2015<i>a</i>)
;
_diffrn_ambient_temperature      293(2)
_diffrn_measured_fraction_theta_full 0.998
_diffrn_measured_fraction_theta_max 0.998
_diffrn_measurement_device_type  'Bruker APEXII DUO CCD'
_diffrn_measurement_method       \w-scans
_diffrn_radiation_monochromator  graphite
_diffrn_radiation_source         'fine-focus sealed tube'
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_reflns_av_R_equivalents  0.0514
_diffrn_reflns_av_sigmaI/netI    0.0449
_diffrn_reflns_limit_h_max       10
_diffrn_reflns_limit_h_min       -10
_diffrn_reflns_limit_k_max       13
_diffrn_reflns_limit_k_min       -13
_diffrn_reflns_limit_l_max       22
_diffrn_reflns_limit_l_min       -24
_diffrn_reflns_number            16376
_diffrn_reflns_theta_full        27.47
_diffrn_reflns_theta_max         27.47
_diffrn_reflns_theta_min         3.13
_exptl_absorpt_coefficient_mu    1.352
_exptl_absorpt_correction_T_max  0.773
_exptl_absorpt_correction_T_min  0.716
_exptl_absorpt_correction_type   analytical
_exptl_absorpt_process_details
;
[based on measured indexed crystal faces using
SHELXL2014 (Sheldrick, 2015<i>b</i>)]
;
_exptl_crystal_colour            blue
_exptl_crystal_density_diffrn    1.586
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       block
_exptl_crystal_F_000             812
_exptl_crystal_size_max          0.24
_exptl_crystal_size_mid          0.20
_exptl_crystal_size_min          0.19
_refine_diff_density_max         0.793
_refine_diff_density_min         -1.165
_refine_ls_abs_structure_details
;
Flack (1983), 1619 Friedel pairs
;
_refine_ls_abs_structure_Flack   0.00(2)
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.145
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     226
_refine_ls_number_reflns         3799
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      1.145
_refine_ls_R_factor_all          0.0635
_refine_ls_R_factor_gt           0.0385
_refine_ls_shift/su_max          0.013
_refine_ls_shift/su_mean         0.001
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'calc w=1/[\s^2^(Fo^2^)+(0.0573P)^2^+1.9518P] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0868
_refine_ls_wR_factor_ref         0.1322
_reflns_number_gt                2926
_reflns_number_total             3799
_reflns_threshold_expression     I>2\s(I)
_cod_data_source_file            lh5806sup1.cif
_cod_data_source_block           I
_cod_original_cell_volume        1658.2(6)
_cod_database_code               2241593
_cod_database_fobs_code 2241593