Poly[(μ~4~-adamantane-1,3-dicarboxylato-κ^5^<i>O</i>^1^:<i>O</i>^1'^:<i>O</i>^3^,<i>O</i>^3'^:<i>O</i>^3'^)(μ~3~-adamantane-1,3-dicarboxylato-κ^5^<i>O</i>^1^,<i>O</i>^1'^:<i>O</i>^3^,<i>O</i>^3'^:<i>O</i>^3'^)dimagnesium]: a layered coordination polymer
Plonka, Anna M.; Banerjee, Debasis; Parise, John B.; Acta Crystallographica Section C 67 (2011) m335–m337; doi:10.1107/S0108270111037954

data_2018269
_publ_section_title
;
 Poly[(\m~4~-adamantane-1,3-dicarboxylato-\k^5^<i>O</i>^1^:<i>O</i>^1'^:<i>O</i>^3^,<i>O</i>^3'^:<i>O</i>^3'^)(\m~3~-adamantane-1,3-dicarboxylato-\k^5^<i>O</i>^1^,<i>O</i>^1'^:<i>O</i>^3^,<i>O</i>^3'^:<i>O</i>^3'^)dimagnesium]:
 a layered coordination polymer
;
_journal_coeditor_code           BM3110
_journal_issue                   11
_journal_name_full               'Acta Crystallographica Section C'
_journal_page_first              m335
_journal_page_last               m337
_journal_paper_doi               10.1107/S0108270111037954
_journal_volume                  67
_journal_year                    2011
_chemical_formula_iupac          '[Mg2 (C12 H14 O4)2]'
_chemical_formula_moiety         'C24 H28 O8 Mg2'
_chemical_formula_sum            'C24 H28 Mg2 O8'
_chemical_formula_weight         246.5
_chemical_name_systematic
;
Poly[(\m~4~-adamantane-1,3-dicarboxylato-
\k^5^<i>O</i>^1^:<i>O</i>^1'^:<i>O</i>^3^,<i>O</i>^3'^:<i>O</i>^3'^)(\m~3~-
adamantane-1,3-dicarboxylato-
\k^5^<i>O</i>^1^,<i>O</i>^1'^:<i>O</i>^3^,<i>O</i>^3'^:<i>O</i>^3'^)
dimagnesium]
;
_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
_cell_angle_alpha                70.713(4)
_cell_angle_beta                 83.131(3)
_cell_angle_gamma                89.141(3)
_cell_formula_units_Z            2
_cell_length_a                   6.9034(2)
_cell_length_b                   11.3549(4)
_cell_length_c                   15.3196(6)
_cell_measurement_reflns_used    9594
_cell_measurement_temperature    293(2)
_cell_measurement_theta_max      32.9699
_cell_measurement_theta_min      3.1289
_cell_volume                     1124.95(7)
_computing_cell_refinement       'CrysAlis PRO (Oxford Diffraction, 2010)'
_computing_data_collection       'CrysAlis PRO (Oxford Diffraction, 2010)'
_computing_data_reduction        'CrysAlis PRO (Oxford Diffraction, 2010)'
_computing_molecular_graphics
;
ORTEP-3 for Windows (Burnett & Johnson, 1996) and CrystalMaker (Palmer,
2009)
;
_computing_publication_material  'SHELXL97 (Sheldrick, 2008)'
_computing_structure_refinement  'SHELXL97 (Sheldrick, 2008)'
_computing_structure_solution    'SHELXS97 (Sheldrick, 2008)'
_diffrn_ambient_temperature      293(2)
_diffrn_detector_area_resol_mean 10.4962
_diffrn_measured_fraction_theta_full 0.998
_diffrn_measured_fraction_theta_max 0.998
_diffrn_measurement_device_type  'Oxford Xcalibur Atlas Gemini'
_diffrn_measurement_method       \w
_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  0.0612
_diffrn_reflns_av_sigmaI/netI    0.0588
_diffrn_reflns_limit_h_max       8
_diffrn_reflns_limit_h_min       -8
_diffrn_reflns_limit_k_max       14
_diffrn_reflns_limit_k_min       -14
_diffrn_reflns_limit_l_max       19
_diffrn_reflns_limit_l_min       -19
_diffrn_reflns_number            28700
_diffrn_reflns_theta_full        26.37
_diffrn_reflns_theta_max         26.37
_diffrn_reflns_theta_min         3.14
_diffrn_standards_number         0
_exptl_absorpt_coefficient_mu    0.154
_exptl_absorpt_correction_T_max  1.000
_exptl_absorpt_correction_T_min  0.979
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   '(CrysAlis PRO; Oxford Diffraction, 2010)'
_exptl_crystal_colour            colourless
_exptl_crystal_density_diffrn    1.452
_exptl_crystal_description       needle
_exptl_crystal_F_000             520
_exptl_crystal_size_max          0.3
_exptl_crystal_size_mid          0.1
_exptl_crystal_size_min          0.05
_refine_diff_density_max         0.463
_refine_diff_density_min         -0.277
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.022
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     307
_refine_ls_number_reflns         4605
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      1.022
_refine_ls_R_factor_all          0.0841
_refine_ls_R_factor_gt           0.0531
_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^)+(0.0797P)^2^] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1321
_refine_ls_wR_factor_ref         0.1535
_reflns_number_gt                3157
_reflns_number_total             4605
_reflns_threshold_expression     I>2\s(I)
_cod_data_source_file            bm3110.cif
_cod_data_source_block           I
_cod_original_formula_sum        'C24 H28 O8 Mg2'
_cod_database_code               2018269
_cod_database_fobs_code          2018269