Poly[ethylenediaminium [di-μ-aqua-(μ~6~-benzene-1,2,4,5-tetracarboxylato-κ^10^<i>O</i>^1^,<i>O</i>^1'^:<i>O</i>^2^,<i>O</i>^2'^:<i>O</i>^2'^:<i>O</i>^4^,<i>O</i>^4'^:<i>O</i>^5^:<i>O</i>^5^,<i>O</i>^5'^)dithallium(I)]]
Rafizadeh, Masoud; Manteghi, Faranak; Acta Crystallographica Section E 65 (2009) m17–m18; doi:10.1107/S1600536808040282

data_2220547
_publ_section_title
;Poly[ethylenediaminium
 [di-\m-aqua-(\m~6~-benzene-1,2,4,5-tetracarboxylato-\k^10^<i>O</i>^1^,<i>O</i>^1'^:<i>O</i>^2^,<i>O</i>^2'^:<i>O</i>^2'^:<i>O</i>^4^,<i>O</i>^4'^:<i>O</i>^5^:<i>O</i>^5^,<i>O</i>^5'^)dithallium(I)]]
;
_journal_coeditor_code           HY2169
_journal_issue                   1
_journal_name_full               'Acta Crystallographica Section E'
_journal_page_first              m17
_journal_page_last               m18
_journal_paper_doi               10.1107/S1600536808040282
_journal_volume                  65
_journal_year                    2009
_chemical_formula_iupac          '(C2 H10 N2) [Tl2 (C10 H2 O8) (H2 O)2)]'
_chemical_formula_moiety         'C2 H10 N2 2+ , C10 H2 O8 Tl2 2- , 2H2 O'
_chemical_formula_sum            'C12 H16 N2 O10 Tl2'
_chemical_formula_weight         757.01
_chemical_name_systematic
;
Poly[ethylenediaminium [di-\m-aqua-(\m~6~-benzene-1,2,4,5-tetracarboxylato-\
\k^10^O^1^,O^1'^:O^2^,O^2'^:O^2'^:O^4^,O^4'^:O^5^:O^5^,O^5'^)dithallium(I)]]
;
_space_group_IT_number           14
_symmetry_cell_setting           monoclinic
_symmetry_space_group_name_Hall  '-P 2yn'
_symmetry_space_group_name_H-M   'P 1 21/n 1'
_atom_sites_solution_hydrogens   mixed
_atom_sites_solution_primary     direct
_atom_sites_solution_secondary   difmap
_audit_creation_method           SHELXL97
_cell_angle_alpha                90.00
_cell_angle_beta                 98.397(10)
_cell_angle_gamma                90.00
_cell_formula_units_Z            2
_cell_length_a                   9.925(5)
_cell_length_b                   7.073(4)
_cell_length_c                   11.325(6)
_cell_measurement_reflns_used    1231
_cell_measurement_temperature    100(2)
_cell_measurement_theta_max      32.67
_cell_measurement_theta_min      3.38
_cell_volume                     786.5(7)
_computing_cell_refinement       'SAINT (Bruker, 2007)'
_computing_data_collection       'APEX2 (Bruker, 2007)'
_computing_data_reduction        'SAINT (Bruker, 2007)'
_computing_molecular_graphics
'SHELXTL (Sheldrick, 2008) and Mercury (Macrae <i>et al.</i>,  2006)'
_computing_publication_material  'SHELXTL (Sheldrick, 2008)'
_computing_structure_refinement  'SHELXTL (Sheldrick, 2008)'
_computing_structure_solution    'SHELXTL (Sheldrick, 2008)'
_diffrn_ambient_temperature      100(2)
_diffrn_measured_fraction_theta_full 0.992
_diffrn_measured_fraction_theta_max 0.992
_diffrn_measurement_device_type  'Bruker APEXII CCD area-detector'
_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  0.0607
_diffrn_reflns_av_sigmaI/netI    0.0543
_diffrn_reflns_limit_h_max       12
_diffrn_reflns_limit_h_min       -11
_diffrn_reflns_limit_k_max       9
_diffrn_reflns_limit_k_min       -9
_diffrn_reflns_limit_l_max       14
_diffrn_reflns_limit_l_min       -14
_diffrn_reflns_number            5272
_diffrn_reflns_theta_full        27.48
_diffrn_reflns_theta_max         27.48
_diffrn_reflns_theta_min         2.95
_exptl_absorpt_coefficient_mu    20.525
_exptl_absorpt_correction_T_max  0.201
_exptl_absorpt_correction_T_min  0.064
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   '(SADABS; Bruker, 2001)'
_exptl_crystal_colour            colourless
_exptl_crystal_density_diffrn    3.197
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       prism
_exptl_crystal_F_000             688
_exptl_crystal_size_max          0.16
_exptl_crystal_size_mid          0.12
_exptl_crystal_size_min          0.08
_refine_diff_density_max         2.021
_refine_diff_density_min         -1.804
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.004
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     107
_refine_ls_number_reflns         1787
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      1.004
_refine_ls_R_factor_all          0.0387
_refine_ls_R_factor_gt           0.0314
_refine_ls_shift/su_max          0.001
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'calc w=1/[\s^2^(Fo^2^)+(0.031P)^2^] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0687
_refine_ls_wR_factor_ref         0.0700
_reflns_number_gt                1487
_reflns_number_total             1787
_reflns_threshold_expression     I>2\s(I)
_cod_data_source_file            hy2169.cif
_cod_data_source_block           I
_cod_original_sg_symbol_H-M      'P 21/n'
_cod_database_code               2220547
_cod_database_fobs_code          2220547