Poly[[hexaaquabis(μ~3~-benzene-1,3,5-tricarboxylato-κ^3^<i>O</i>^1^:<i>O</i>^3^:<i>O</i>^5^)bis(5,5'-dimethyl-2,2'-bipyridine-κ^2^<i>N</i>,<i>N</i>')trizinc] hexahydrate]
Shan, Wen-Wen; Xiong, Han-Lin; Mei, Chong-Zhen; Acta Crystallographica Section E 67 (2011) m921–m922; doi:10.1107/S1600536811022173

data_2230711
_publ_section_title
;
 Poly[[hexaaquabis(\m~3~-benzene-1,3,5-tricarboxylato-\k^3^<i>O</i>^1^:<i>O</i>^3^:<i>O</i>^5^)bis(5,5'-dimethyl-2,2'-bipyridine-\k^2^<i>N</i>,<i>N</i>')trizinc]
 hexahydrate]
;
_journal_coeditor_code           HY2439
_journal_issue                   7
_journal_name_full               'Acta Crystallographica Section E'
_journal_page_first              m921
_journal_page_last               m922
_journal_paper_doi               10.1107/S1600536811022173
_journal_volume                  67
_journal_year                    2011
_chemical_formula_iupac
'[Zn3 (C9 H3 O6)2 (C12 H12 N2)2 (H2 O)6] , 6H2 O'
_chemical_formula_moiety         'C42 H42 N4 O18 Zn3, 6(H2 O)'
_chemical_formula_sum            'C42 H54 N4 O24 Zn3'
_chemical_formula_weight         1195.00
_chemical_name_systematic
;
Poly[[hexaaquabis(\m~3~-benzene-1,3,5-tricarboxylato-
\k^3^<i>O</i>^1^:<i>O</i>^3^:<i>O</i>^5^)bis(5,5'-dimethyl-2,2'-bipyridine-
\k^2^<i>N</i>,<i>N</i>')trizinc] hexahydrate]
;
_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_creation_method           SHELXL97
_cell_angle_alpha                68.910(8)
_cell_angle_beta                 74.848(8)
_cell_angle_gamma                81.834(8)
_cell_formula_units_Z            1
_cell_length_a                   10.2454(10)
_cell_length_b                   10.5799(10)
_cell_length_c                   12.6580(10)
_cell_measurement_reflns_used    3902
_cell_measurement_temperature    296(2)
_cell_measurement_theta_max      29.22
_cell_measurement_theta_min      2.99
_cell_volume                     1233.9(2)
_computing_cell_refinement       'SAINT (Bruker, 2007)'
_computing_data_collection       'APEX2 (Bruker, 2007)'
_computing_data_reduction        'SAINT (Bruker, 2007)'
_computing_molecular_graphics    'DIAMOND (Brandenburg, 1999)'
_computing_publication_material  'SHELXTL (Sheldrick, 2008)'
_computing_structure_refinement  'SHELXL97 (Sheldrick, 2008)'
_computing_structure_solution    'SHELXS97 (Sheldrick, 2008)'
_diffrn_ambient_temperature      296(2)
_diffrn_measured_fraction_theta_full 0.997
_diffrn_measured_fraction_theta_max 0.997
_diffrn_measurement_device_type  'Bruker APEXII CCD'
_diffrn_measurement_method       '\f and \w'
_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  0.0342
_diffrn_reflns_av_sigmaI/netI    0.0549
_diffrn_reflns_limit_h_max       11
_diffrn_reflns_limit_h_min       -12
_diffrn_reflns_limit_k_max       12
_diffrn_reflns_limit_k_min       -12
_diffrn_reflns_limit_l_max       15
_diffrn_reflns_limit_l_min       -14
_diffrn_reflns_number            9149
_diffrn_reflns_theta_full        25.00
_diffrn_reflns_theta_max         25.00
_diffrn_reflns_theta_min         3.00
_exptl_absorpt_coefficient_mu    1.536
_exptl_absorpt_correction_T_max  0.7590
_exptl_absorpt_correction_T_min  0.7386
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   '(SADABS; Bruker, 2001)'
_exptl_crystal_colour            colourless
_exptl_crystal_density_diffrn    1.608
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       block
_exptl_crystal_F_000             616
_exptl_crystal_size_max          0.21
_exptl_crystal_size_mid          0.20
_exptl_crystal_size_min          0.19
_refine_diff_density_max         0.738
_refine_diff_density_min         -0.586
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.014
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     336
_refine_ls_number_reflns         4330
_refine_ls_number_restraints     12
_refine_ls_restrained_S_all      1.015
_refine_ls_R_factor_all          0.0620
_refine_ls_R_factor_gt           0.0454
_refine_ls_shift/su_max          0.000
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'calc w = 1/[\s^2^(Fo^2^)+(0.0713P)^2^+0.3228P] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1153
_refine_ls_wR_factor_ref         0.1239
_reflns_number_gt                3426
_reflns_number_total             4330
_reflns_threshold_expression     I>2\s(I)
_cod_data_source_file            hy2439.cif
_cod_data_source_block           I
_cod_original_cell_volume        1233.90(19)
_cod_database_code               2230711
_cod_database_fobs_code          2230711