The double-stranded ladder-like structure of poly[[bis(μ~2~-acetato-κ^2^<i>O</i>:<i>O</i>')bis(acetato-κ<i>O</i>)bis(μ-4,4'-bipyridine-κ^2^<i>N</i>:<i>N</i>')dicopper(II)] 4-nitrophenol disolvate tetrahydrate]
Zamisa, Sizwe J.; Ndungu, Patrick; Omondi, Bernard; Acta Crystallographica Section C 69 (2013) 1100–1103; doi:10.1107/S0108270113023093

data_2019184
_publ_section_title
;
 The double-stranded ladder-like structure of
 poly[[bis(\m~2~-acetato-\k^2^<i>O</i>:<i>O</i>')bis(acetato-\k<i>O</i>)bis(\m-4,4'-bipyridine-\k^2^<i>N</i>:<i>N</i>')dicopper(II)]
 4-nitrophenol disolvate tetrahydrate]
;
_journal_coeditor_code           LG3119
_journal_issue                   10
_journal_name_full               'Acta Crystallographica Section C'
_journal_page_first              1100
_journal_page_last               1103
_journal_paper_doi               10.1107/S0108270113023093
_journal_volume                  69
_journal_year                    2013
_chemical_formula_iupac
'[Cu (C2 H3 O2)2 (C10 H8 N2)] , C6 H5 N O3 , 2H2 O'
_chemical_formula_moiety         'C14 H14 Cu N2 O4, C6 H5 N O3, 2(H2 O)'
_chemical_formula_sum            'C20 H23 Cu N3 O9'
_chemical_formula_weight         512.95
_chemical_name_systematic
;Poly[[bis(\m~2~-acetato-\k^2^<i>O</i>:<i>O</i>')bis(acetato-\k<i>O</i>)bis(\m-4,4'-bipyridine-\k^2^<i>N</i>:<i>N</i>')dicopper(II)]
4-nitrophenol disolvate tetrahydrate]
;
_space_group_IT_number           2
_symmetry_cell_setting           triclinic
_symmetry_space_group_name_Hall  '-P 1'
_symmetry_space_group_name_H-M   'P -1'
_atom_sites_solution_hydrogens   geom
_atom_sites_solution_primary     direct
_atom_sites_solution_secondary   difmap
_audit_conform_dict_name         cif_core.dic
_audit_conform_dict_version      2.4
_audit_creation_method           'WinGX routine CIF_UPDATE'
_cell_angle_alpha                85.020(4)
_cell_angle_beta                 85.720(4)
_cell_angle_gamma                74.647(5)
_cell_formula_units_Z            2
_cell_length_a                   8.5997(5)
_cell_length_b                   11.1264(6)
_cell_length_c                   11.6962(6)
_cell_measurement_reflns_used    7928
_cell_measurement_temperature    173(2)
_cell_measurement_theta_max      70.07
_cell_measurement_theta_min      3.8
_cell_volume                     1073.57(10)
_computing_cell_refinement       'CrysAlis PRO (Agilent, 2012)'
_computing_data_collection       'CrysAlis PRO (Agilent, 2012)'
_computing_data_reduction        'CrysAlis PRO (Agilent, 2012)'
_computing_molecular_graphics    'DIAMOND (Brandenburg & Putz, 2005)'
_computing_publication_material  'WinGX (Farrugia, 2012)'
_computing_structure_refinement  'SHELXL97 (Sheldrick, 2008)'
_computing_structure_solution    'SHELXS97 (Sheldrick, 2008)'
_diffrn_ambient_temperature      173(2)
_diffrn_measured_fraction_theta_full 0.996
_diffrn_measured_fraction_theta_max 0.991
_diffrn_measurement_device_type
'Agilent SuperNova Dual diffractometer (Cu at zero) with Atlas detector'
_diffrn_measurement_method       \w
_diffrn_radiation_monochromator  graphite
_diffrn_radiation_type           CuK\a
_diffrn_radiation_wavelength     1.54184
_diffrn_reflns_av_R_equivalents  0.0249
_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       14
_diffrn_reflns_limit_l_min       -14
_diffrn_reflns_number            7928
_diffrn_reflns_theta_full        66.5
_diffrn_reflns_theta_max         70.07
_diffrn_reflns_theta_min         3.8
_diffrn_standards_decay_%        0
_diffrn_standards_interval_count 0
_diffrn_standards_interval_time  0
_diffrn_standards_number         0
_exptl_absorpt_coefficient_mu    1.963
_exptl_absorpt_correction_T_max  0.9256
_exptl_absorpt_correction_T_min  0.7706
_exptl_absorpt_correction_type   analytical
_exptl_absorpt_process_details   '(CrysAlis PRO; Agilent, 2012)'
_exptl_crystal_colour            blue
_exptl_crystal_density_diffrn    1.587
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       block
_exptl_crystal_F_000             530
_exptl_crystal_size_max          0.14
_exptl_crystal_size_mid          0.07
_exptl_crystal_size_min          0.04
_refine_diff_density_max         0.663
_refine_diff_density_min         -0.556
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.11
_refine_ls_hydrogen_treatment    mixed
_refine_ls_matrix_type           full
_refine_ls_number_parameters     317
_refine_ls_number_reflns         4060
_refine_ls_number_restraints     4
_refine_ls_restrained_S_all      1.11
_refine_ls_R_factor_all          0.0386
_refine_ls_R_factor_gt           0.0342
_refine_ls_shift/su_max          0.003
_refine_ls_shift/su_mean         0
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'calc w = 1/[\s^2^(Fo^2^)+(0.0514P)^2^+0.3752P] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0939
_refine_ls_wR_factor_ref         0.0989
_reflns_number_gt                3703
_reflns_number_total             4060
_reflns_threshold_expression     I>2\s(I)
_cod_data_source_file            lg3119.cif
_cod_data_source_block           I
_cod_database_code               2019184