Poly[[(μ~4~-benzene-1,3,5-tricarboxylato-κ^4^<i>O</i>^1^:<i>O</i>^1'^:<i>O</i>^2^:<i>O</i>^3^)bis(2,2-bipyridine-κ^2^<i>N</i>,<i>N</i>')(μ~2~-hydroxido)dicopper(II)] trihydrate]
El-kaheli, Mohamed N.; El-mehdawi, Ramadan M.; Abuhmaiera, Ramadan G.; Ben Younes, Mufida M.; Treish, Fathia A.; Guerri, Annalisa; Bazzicalupi, Carla; Acta Crystallographica Section E 70 (2014) m270–m271; doi:10.1107/S1600536814013877

data_2239721
_publ_section_title
;
 Poly[[(\m~4~-benzene-1,3,5-tricarboxylato-\k^4^<i>O</i>^1^:<i>O</i>^1'^:<i>O</i>^2^:<i>O</i>^3^)bis(2,2-bipyridine-\k^2^<i>N</i>,<i>N</i>')(\m~2~-hydroxido)dicopper(II)]
 trihydrate]
;
_journal_issue                   7
_journal_name_full               'Acta Crystallographica Section E'
_journal_page_first              m270
_journal_page_last               m271
_journal_paper_doi               10.1107/S1600536814013877
_journal_volume                  70
_journal_year                    2014
_chemical_formula_iupac          '[Cu2 (C9 H3 O6) (O H) (C10 H8 N2)2], 3H2 O'
_chemical_formula_moiety         '(C29 H26 Cu2 N4 O10)n'
_chemical_formula_sum            'C29 H26 Cu2 N4 O10'
_chemical_formula_weight         717.62
_chemical_name_systematic
'Poly[[(\m~4~-benzene-1,3,5-tricarboxylato-\k^4^<i>O</i>^1^:<i>O</i>^1'^:<i>O</i>^2^:<i>O</i>^3^)bis(2,2-bipyridine-\k^2^<i>N</i>,<i>N</i>')(\m~2~-hydroxido)dicopper(II)] trihydrate]'
_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'
_symmetry_space_group_name_Hall  '-P 2ybc'
_symmetry_space_group_name_H-M   'P 1 21/c 1'
_atom_sites_solution_hydrogens   mixed
_atom_sites_solution_primary     direct
_atom_sites_solution_secondary   difmap
_audit_creation_method           SHELXL-2012
_cell_angle_alpha                90.00
_cell_angle_beta                 102.426(6)
_cell_angle_gamma                90.00
_cell_formula_units_Z            4
_cell_length_a                   16.4930(10)
_cell_length_b                   9.7017(5)
_cell_length_c                   17.9080(10)
_cell_measurement_reflns_used    4560
_cell_measurement_temperature    150
_cell_measurement_theta_max      28.8259
_cell_measurement_theta_min      4.1927
_cell_volume                     2798.3(3)
_computing_cell_refinement
;
CrysAlis RED (Oxford Diffraction, 2007)
;
_computing_data_collection
;
CrysAlis CCD (Oxford Diffraction, 2007)
;
_computing_data_reduction
;
CrysAlis RED (Oxford Diffraction, 2007)
;
_computing_molecular_graphics    'Mercury (Macrae <i>et al.</i>, 2008)'
_computing_publication_material  'publCIF (Westrip, 2010)'
_computing_structure_refinement  'SHELX2013 (Sheldrick, 2008)'
_computing_structure_solution    'SIR92 (Altomare <i>et al.</i>, 1993)'
_diffrn_ambient_temperature      150
_diffrn_detector_area_resol_mean 16.4547
_diffrn_measured_fraction_theta_full 0.999
_diffrn_measured_fraction_theta_max 0.848
_diffrn_measurement_device_type  'Oxford Diffraction Xcalibur Sapphire3'
_diffrn_measurement_method       'omega scan'
_diffrn_radiation_monochromator  graphite
_diffrn_radiation_source         'Enhance (Mo) X-ray Source'
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_reflns_av_R_equivalents  0.0350
_diffrn_reflns_limit_h_max       18
_diffrn_reflns_limit_h_min       -20
_diffrn_reflns_limit_k_max       12
_diffrn_reflns_limit_k_min       -10
_diffrn_reflns_limit_l_max       20
_diffrn_reflns_limit_l_min       -24
_diffrn_reflns_number            11267
_diffrn_reflns_theta_full        25.000
_diffrn_reflns_theta_max         28.889
_diffrn_reflns_theta_min         2.329
_exptl_absorpt_coefficient_mu    1.588
_exptl_absorpt_correction_T_max  0.810
_exptl_absorpt_correction_T_min  0.760
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details
;
(CrysAlis PRO; Oxford Diffraction, 2010)
;
_exptl_crystal_colour            blue
_exptl_crystal_density_diffrn    1.703
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       prismatic
_exptl_crystal_F_000             1456
_exptl_crystal_size_max          0.2
_exptl_crystal_size_mid          0.2
_exptl_crystal_size_min          0.1
_refine_diff_density_max         1.446
_refine_diff_density_min         -0.660
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   0.938
_refine_ls_hydrogen_treatment    mixed
_refine_ls_matrix_type           full
_refine_ls_number_parameters     434
_refine_ls_number_reflns         6245
_refine_ls_number_restraints     1
_refine_ls_restrained_S_all      0.938
_refine_ls_R_factor_all          0.0696
_refine_ls_R_factor_gt           0.0419
_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^)+(0.0493P)^2^]
 where P=(Fo^2^+2Fc^2^)/3
;
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0938
_refine_ls_wR_factor_ref         0.0990
_reflns_number_gt                4210
_reflns_number_total             6245
_reflns_threshold_expression     I>2\s(I)
_cod_data_source_file            cv5448sup1.cf
_cod_data_source_block           I
_cod_original_cell_volume        2798.1(3)
_cod_database_code               2239721
_shelx_hkl_checksum              59285
_shelx_res_checksum              88527
_shelxl_version_number           .000002012