Poly[bis(μ~6~-benzene-1,3,5-tricarboxylato-κ^7^<i>O</i>^1^,<i>O</i>^1'^:<i>O</i>^1'^:<i>O</i>^3^:<i>O</i>^3'^:<i>O</i>^5^:<i>O</i>^5'^)tetrakis(dimethylformamide-κ<i>O</i>)trimagnesium(II)]
Łuczyńska-Szymczak, Katarzyna; Starosta, Wojciech; Leciejewicz, Janusz; Acta Crystallographica Section E 68 (2012) m852–m853; doi:10.1107/S1600536812023240

data_2235039
_publ_section_title
;
 Poly[bis(\m~6~-benzene-1,3,5-tricarboxylato-\k^7^<i>O</i>^1^,<i>O</i>^1'^:<i>O</i>^1'^:<i>O</i>^3^:<i>O</i>^3'^:<i>O</i>^5^:<i>O</i>^5'^)tetrakis(dimethylformamide-\k<i>O</i>)trimagnesium(II)]
;
_journal_coeditor_code           HB6785
_journal_issue                   6
_journal_name_full               'Acta Crystallographica Section E'
_journal_page_first              m852
_journal_page_last               m853
_journal_paper_doi               10.1107/S1600536812023240
_journal_volume                  68
_journal_year                    2012
_chemical_formula_iupac          '[Mg3 (C9 H3 O6)2 (C3 H7 N O)4]'
_chemical_formula_moiety         'C30 H34 Mg3 N4 O16'
_chemical_formula_sum            'C30 H34 Mg3 N4 O16'
_chemical_formula_weight         779.54
_chemical_name_systematic
;
Poly[[bis(\m~6~-benzene-1,3,5-tricarboxylato-
\k^7^<i>O</i>^1^,<i>O</i>^1'^:<i>O</i>^1'^:<i>O</i>^3^:<i>O</i>^3'^:
<i>O</i>^5^:<i>O</i>^5'^)tetrakis(dimethylformamide-
\k<i>O</i>)trimagnesium(II)]
;
_space_group_IT_number           14
_symmetry_cell_setting           monoclinic
_symmetry_space_group_name_Hall  '-P 2ybc'
_symmetry_space_group_name_H-M   'P 1 21/c 1'
_atom_sites_solution_hydrogens   geom
_atom_sites_solution_primary     direct
_atom_sites_solution_secondary   difmap
_audit_creation_method           SHELXL-97
_cell_angle_alpha                90.00
_cell_angle_beta                 116.65(3)
_cell_angle_gamma                90.00
_cell_formula_units_Z            4
_cell_length_a                   17.566(4)
_cell_length_b                   11.961(2)
_cell_length_c                   18.514(4)
_cell_measurement_reflns_used    25
_cell_measurement_temperature    293(2)
_cell_measurement_theta_max      15
_cell_measurement_theta_min      6
_cell_volume                     3476.7(15)
_computing_cell_refinement       'KM-4 Software (Kuma, 1996)'
_computing_data_collection       'KM-4 Software (Kuma, 1996)'
_computing_data_reduction        'DATAPROC (Kuma, 2001)'
_computing_molecular_graphics    'SHELXTL (Sheldrick, 2008)'
_computing_publication_material  'SHELXTL (Sheldrick, 2008)'
_computing_structure_refinement  'SHELXL97 (Sheldrick, 2008)'
_computing_structure_solution    'SHELXS97 (Sheldrick, 2008)'
_diffrn_ambient_temperature      293(2)
_diffrn_measured_fraction_theta_full 0.888
_diffrn_measured_fraction_theta_max 0.888
_diffrn_measurement_device_type  'Kuma KM-4 four-cricle'
_diffrn_measurement_method       'profile data from \w/2\q scans'
_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  0.0593
_diffrn_reflns_av_sigmaI/netI    0.1302
_diffrn_reflns_limit_h_max       18
_diffrn_reflns_limit_h_min       -17
_diffrn_reflns_limit_k_max       0
_diffrn_reflns_limit_k_min       -13
_diffrn_reflns_limit_l_max       0
_diffrn_reflns_limit_l_min       -19
_diffrn_reflns_number            5218
_diffrn_reflns_theta_full        24.24
_diffrn_reflns_theta_max         24.24
_diffrn_reflns_theta_min         1.30
_diffrn_standards_decay_%        4.15
_diffrn_standards_interval_count 200
_diffrn_standards_number         3
_exptl_absorpt_coefficient_mu    0.168
_exptl_absorpt_correction_T_max  0.991
_exptl_absorpt_correction_T_min  0.979
_exptl_absorpt_correction_type   analytical
_exptl_absorpt_process_details
'(<i>CrysAlis RED</i>; Oxford Diffraction, 2008)'
_exptl_crystal_colour            colourless
_exptl_crystal_density_diffrn    1.489
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       block
_exptl_crystal_F_000             1624
_exptl_crystal_size_max          0.135
_exptl_crystal_size_mid          0.133
_exptl_crystal_size_min          0.065
_refine_diff_density_max         0.481
_refine_diff_density_min         -0.379
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   0.995
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     486
_refine_ls_number_reflns         4986
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      0.995
_refine_ls_R_factor_all          0.1562
_refine_ls_R_factor_gt           0.0405
_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^)+(0.0748P)^2^+2.4811P] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1087
_refine_ls_wR_factor_ref         0.1441
_reflns_number_gt                2425
_reflns_number_total             4986
_reflns_threshold_expression     I>2\s(I)
_cod_data_source_file            hb6785.cif
_cod_data_source_block           I
_cod_original_cell_volume        3476.9(12)
_cod_original_sg_symbol_H-M      'P 21/c'
_cod_database_code               2235039
_cod_database_fobs_code          2235039