Poly[(μ~6~-benzene-1,3,5-tricarboxylato-κ^6^<i>O</i>^1^:<i>O</i>^1'^:<i>O</i>^3^:<i>O</i>^3'^:<i>O</i>^5^:<i>O</i>^5'^)tris(<i>N</i>,<i>N</i>-dimethylformamide-κ<i>O</i>)tris(μ~3~-formato-κ^2^<i>O</i>:<i>O</i>')trimagnesium(II)]
Yeh, Chun-Ting; Liu, Hsin-Kuan; Lin, Chia-Jing; Lin, Chia-Her; Acta Crystallographica Section E 66 (2010) m1289–; doi:10.1107/S1600536810035907

data_2227630
_publ_section_title
;
 Poly[(\m~6~-benzene-1,3,5-tricarboxylato-\k^6^<i>O</i>^1^:<i>O</i>^1'^:<i>O</i>^3^:<i>O</i>^3'^:<i>O</i>^5^:<i>O</i>^5'^)tris(<i>N</i>,<i>N</i>-dimethylformamide-\k<i>O</i>)tris(\m~3~-formato-\k^2^<i>O</i>:<i>O</i>')trimagnesium(II)]
;
_journal_coeditor_code           HY2348
_journal_issue                   10
_journal_name_full               'Acta Crystallographica Section E'
_journal_page_first              m1289
_journal_paper_doi               10.1107/S1600536810035907
_journal_volume                  66
_journal_year                    2010
_chemical_formula_iupac          '[Mg3 (C H O2)3 (C9 H3 O6) (C3 H7 N O)3]'
_chemical_formula_moiety         'C7 H9 Mg N O5'
_chemical_formula_sum            'C7 H9 Mg N O5'
_chemical_formula_weight         211.46
_chemical_name_systematic
;
Poly[(\m~6~-benzene-1,3,5-tricarboxylato-\k^6^<i>O</i>^1^:<i>O</i>^1'^:
<i>O</i>^3^:<i>O</i>^3'^:<i>O</i>^5^:<i>O</i>^5'^)tris(<i>N</i>,<i>N</i>-
dimethylformamide-\k<i>O</i>)tris(\m~3~-formato-\k^2^<i>O</i>:<i>O</i>')
trimagnesium(II)]
;
_space_group_IT_number           147
_symmetry_cell_setting           trigonal
_symmetry_space_group_name_Hall  '-P 3'
_symmetry_space_group_name_H-M   'P -3'
_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                 90.00
_cell_angle_gamma                120.00
_cell_formula_units_Z            6
_cell_length_a                   13.9739(2)
_cell_length_b                   13.9739(2)
_cell_length_c                   8.11880(10)
_cell_measurement_reflns_used    9292
_cell_measurement_temperature    295(2)
_cell_measurement_theta_max      28.2536
_cell_measurement_theta_min      2.9154
_cell_volume                     1372.96(3)
_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 DIAMOND (Brandenburg, 1999)'
_computing_publication_material  'SHELXTL (Sheldrick, 2008)'
_computing_structure_refinement  'SHELXL97 (Sheldrick, 2008)'
_computing_structure_solution    'SHELXS97 (Sheldrick, 2008)'
_diffrn_ambient_temperature      295(2)
_diffrn_detector_area_resol_mean 8.3333
_diffrn_measured_fraction_theta_full 1.000
_diffrn_measured_fraction_theta_max 1.000
_diffrn_measurement_device_type  'Bruker APEXII CCD'
_diffrn_measurement_method       '\f and \w 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  0.0321
_diffrn_reflns_av_sigmaI/netI    0.0221
_diffrn_reflns_limit_h_max       17
_diffrn_reflns_limit_h_min       -18
_diffrn_reflns_limit_k_max       18
_diffrn_reflns_limit_k_min       -17
_diffrn_reflns_limit_l_max       10
_diffrn_reflns_limit_l_min       -10
_diffrn_reflns_number            12089
_diffrn_reflns_theta_full        28.25
_diffrn_reflns_theta_max         28.25
_diffrn_reflns_theta_min         1.68
_exptl_absorpt_coefficient_mu    0.189
_exptl_absorpt_correction_T_max  0.9722
_exptl_absorpt_correction_T_min  0.9542
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   '(SADABS; Bruker, 2001)'
_exptl_crystal_colour            colorless
_exptl_crystal_density_diffrn    1.535
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       columnar
_exptl_crystal_F_000             660
_exptl_crystal_size_max          0.25
_exptl_crystal_size_mid          0.25
_exptl_crystal_size_min          0.15
_refine_diff_density_max         0.471
_refine_diff_density_min         -0.346
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.396
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     129
_refine_ls_number_reflns         2278
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      1.396
_refine_ls_R_factor_all          0.0793
_refine_ls_R_factor_gt           0.0780
_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^)+(0.0309P)^2^+6.1850P] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.2136
_refine_ls_wR_factor_ref         0.2140
_reflns_number_gt                2212
_reflns_number_total             2278
_reflns_threshold_expression     I>2\s(I)
_cod_data_source_file            hy2348.cif
_cod_data_source_block           I
_cod_database_code               2227630
_cod_database_fobs_code          2227630