Poly[[μ-1,3-bis(pyridin-3-yl)urea]bis(μ4-succinato)dicopper(II)], a ribbon-like coordination polymer
Ezenyilimba, Frederick; LaDuca, Robert L.; IUCrData 8 (2023) x230747–; doi:10.1107/S2414314623007472

data_1569848
_publ_section_title
;
 Poly[[\m-1,3-bis(pyridin-3-yl)urea]bis(\m4-succinato)dicopper(II)], a
 ribbon-like coordination polymer
;
_journal_coeditor_code           BH4078
_journal_issue                   9
_journal_name_full               IUCrData
_journal_page_first              x230747
_journal_paper_doi               10.1107/S2414314623007472
_journal_volume                  8
_journal_year                    2023
_chemical_formula_iupac          '[Cu2 (C4 H4 O4)2 (C11 H10 N4 O)]'
_chemical_formula_moiety         'C19 H18 Cu2 N4 O9'
_chemical_formula_sum            'C19 H18 Cu2 N4 O9'
_chemical_formula_weight         573.45
_chemical_name_systematic
;
Poly[[\m-1,3-bis(pyridin-3-yl)urea]bis(\m~4~-succinato)dicopper(II)]
;
_space_group_crystal_system      monoclinic
_space_group_IT_number           14
_space_group_name_Hall           '-P 2ybc'
_space_group_name_H-M_alt        'P 1 21/c 1'
_atom_sites_solution_hydrogens   geom
_atom_sites_solution_primary     dual
_atom_sites_solution_secondary   difmap
_audit_creation_method
;
Olex2 1.3-ac4
(compiled 2020.11.27 svn.r5f609507 for Rigaku Oxford Diffraction, GUI svn.r6214)
;
_cell_angle_alpha                90
_cell_angle_beta                 111.614(2)
_cell_angle_gamma                90
_cell_formula_units_Z            4
_cell_length_a                   15.587(2)
_cell_length_b                   6.7579(10)
_cell_length_c                   20.942(3)
_cell_measurement_reflns_used    2446
_cell_measurement_temperature    173.15
_cell_measurement_theta_max      25.11
_cell_measurement_theta_min      2.81
_cell_volume                     2050.8(5)
_computing_cell_refinement
;
SAINT (Bruker, 2013)
;
_computing_data_collection
;
COSMO (Bruker, 2009)
;
_computing_data_reduction
;
SAINT (Bruker, 2013)
;
_computing_molecular_graphics
;
CrystalMakerX (Palmer, 2020)
;
_computing_publication_material
;
OLEX2 (Dolomanov <i>et al.</i>,  2009)
;
_computing_structure_refinement
;
SHELXL2018 (Sheldrick, 2015b)
;
_computing_structure_solution
;
SHELXT2018 (Sheldrick, 2015a)
;
_diffrn_ambient_temperature      173.15
_diffrn_detector_area_resol_mean 8.36
_diffrn_measured_fraction_theta_full 1.000
_diffrn_measured_fraction_theta_max 0.999
_diffrn_measurement_device_type  'Bruker APEXII CCD'
_diffrn_measurement_method       \w
_diffrn_radiation_monochromator  graphite
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_reflns_av_R_equivalents  0.1097
_diffrn_reflns_av_unetI/netI     0.1034
_diffrn_reflns_limit_h_max       18
_diffrn_reflns_limit_h_min       -18
_diffrn_reflns_limit_k_max       8
_diffrn_reflns_limit_k_min       -8
_diffrn_reflns_limit_l_max       25
_diffrn_reflns_limit_l_min       -25
_diffrn_reflns_number            15941
_diffrn_reflns_theta_full        25.242
_diffrn_reflns_theta_max         25.383
_diffrn_reflns_theta_min         1.405
_diffrn_source                   'sealed tube'
_diffrn_source_current           40.0
_diffrn_source_power             2.0
_diffrn_source_voltage           50.0
_diffrn_standards_number         0
_exptl_absorpt_coefficient_mu    2.138
_exptl_absorpt_correction_T_max  0.7452
_exptl_absorpt_correction_T_min  0.5681
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details
;
(SADABS; Bruker, 2013)
;
_exptl_crystal_colour            green
_exptl_crystal_density_diffrn    1.857
_exptl_crystal_description       plate
_exptl_crystal_F_000             1160
_exptl_crystal_size_max          0.237
_exptl_crystal_size_mid          0.122
_exptl_crystal_size_min          0.054
_refine_diff_density_max         1.115
_refine_diff_density_min         -0.601
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   0.985
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     307
_refine_ls_number_reflns         3758
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      0.985
_refine_ls_R_factor_all          0.1015
_refine_ls_R_factor_gt           0.0561
_refine_ls_shift/su_max          0.001
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'w=1/[\s^2^(Fo^2^)+(0.0685P)^2^] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1232
_refine_ls_wR_factor_ref         0.1509
_reflns_number_gt                2378
_reflns_number_total             3758
_reflns_threshold_expression     'I > 2\s(I)'
_cod_data_source_file            bh4078.cif
_cod_data_source_block           I
_cod_original_cell_volume        2050.9(5)
_cod_database_code               1569848
_shelx_estimated_absorpt_t_min   0.631
_shelx_estimated_absorpt_t_max   0.893
_shelx_hkl_checksum              90091
_shelx_res_checksum              29523