Toward coordination polymers based on fine-tunable group 13 organometallic phthalates.
Justyniak, Iwona; Bury, Wojciech; Prochowicz, Daniel; Wójcik, Katarzyna; Zachara, Janusz; Lewiński, Janusz; Inorganic chemistry 53 (2014) 7270–7275; doi:10.1021/ic5005598

data_4340144
_publ_section_title
;
 Toward coordination polymers based on fine-tunable group 13
 organometallic phthalates.
;
_journal_issue                   14
_journal_name_full               'Inorganic chemistry'
_journal_page_first              7270
_journal_page_last               7275
_journal_paper_doi               10.1021/ic5005598
_journal_volume                  53
_journal_year                    2014
_chemical_formula_sum            'C24 H32 Ga4 O8'
_chemical_formula_weight         727.38
_chemical_name_systematic
;
 ?
;
_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                 96.099(13)
_cell_angle_gamma                90.00
_cell_formula_units_Z            2
_cell_length_a                   9.2911(15)
_cell_length_b                   15.736(2)
_cell_length_c                   10.4345(17)
_cell_measurement_temperature    298(2)
_cell_volume                     1516.9(4)
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 2008)'
_diffrn_ambient_temperature      298(2)
_diffrn_measured_fraction_theta_full 0.987
_diffrn_measured_fraction_theta_max 0.987
_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  0.0215
_diffrn_reflns_av_sigmaI/netI    0.0183
_diffrn_reflns_limit_h_max       11
_diffrn_reflns_limit_h_min       0
_diffrn_reflns_limit_k_max       18
_diffrn_reflns_limit_k_min       0
_diffrn_reflns_limit_l_max       12
_diffrn_reflns_limit_l_min       -12
_diffrn_reflns_number            2821
_diffrn_reflns_theta_full        25.05
_diffrn_reflns_theta_max         25.05
_diffrn_reflns_theta_min         2.20
_exptl_absorpt_coefficient_mu    3.554
_exptl_crystal_colour            colourless
_exptl_crystal_density_diffrn    1.593
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       plate
_exptl_crystal_F_000             728
_exptl_crystal_size_max          0.24
_exptl_crystal_size_mid          0.16
_exptl_crystal_size_min          0.10
_refine_diff_density_max         0.345
_refine_diff_density_min         -0.350
_refine_diff_density_rms         0.051
_refine_ls_extinction_coef       0.0033(3)
_refine_ls_extinction_expression Fc^*^=kFc[1+0.001xFc^2^\l^3^/sin(2\q)]^-1/4^
_refine_ls_extinction_method     SHELXL
_refine_ls_goodness_of_fit_ref   1.015
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     168
_refine_ls_number_reflns         2655
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      1.015
_refine_ls_R_factor_all          0.0323
_refine_ls_R_factor_gt           0.0254
_refine_ls_shift/su_max          0.004
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'calc w=1/[\s^2^(Fo^2^)+(0.0399P)^2^+0.4031P] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0652
_refine_ls_wR_factor_ref         0.0677
_reflns_number_gt                2264
_reflns_number_total             2655
_reflns_threshold_expression     I>2\s(I)
_cod_data_source_file            ic5005598_si_001.cif
_cod_data_source_block           comp2
_cod_depositor_comments
'Adding full bibliography for 4340144--4340146.cif.'
_cod_original_sg_symbol_H-M      'P 21/c'
_cod_database_code               4340144