<i>catena</i>-Poly[[gallium(III)-bis[μ-<small>D</small>/<small>L</small>-tartrato(2{-})]-gallium(III)-di-μ-hydroxido] dihydrate]
Liu, Xiaojing; Tian, Ruijing; Zhang, Cailing; Zhi, Xia; Pan, Qinhe; Acta Crystallographica Section E 68 (2012) m989–m990; doi:10.1107/S1600536812028188

data_2235660
_publ_section_title
;
 <i>catena</i>-Poly[[gallium(III)-bis[\m-<small>D</small>/<small>L</small>-tartrato(2{-})]-gallium(III)-di-\m-hydroxido]
 dihydrate]
;
_journal_coeditor_code           VN2042
_journal_issue                   7
_journal_name_full               'Acta Crystallographica Section E'
_journal_page_first              m989
_journal_page_last               m990
_journal_paper_doi               10.1107/S1600536812028188
_journal_volume                  68
_journal_year                    2012
_chemical_formula_iupac          '[Ga2 (C4 H4 O6)2 (O H)2], 2H2 O'
_chemical_formula_moiety         'C8 H10 Ga2 O14, 2(H2 O)'
_chemical_formula_sum            'C8 H14 Ga2 O16'
_chemical_formula_weight         505.64
_chemical_name_systematic
;
<i>catena</i>-Poly[[gallium(III)-bis[\m-<i>D</i>/<i>L</i>-tartrato(2-)]-
gallium(III)-di-\m-hydroxido] dihydrate]
;
_space_group_IT_number           72
_symmetry_cell_setting           orthorhombic
_symmetry_space_group_name_Hall  '-I 2 2c'
_symmetry_space_group_name_H-M   'I b a m'
_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                90.00
_cell_formula_units_Z            4
_cell_length_a                   8.6830(17)
_cell_length_b                   10.797(2)
_cell_length_c                   16.158(3)
_cell_measurement_reflns_used    7524
_cell_measurement_temperature    293(2)
_cell_measurement_theta_max      27.44
_cell_measurement_theta_min      3.01
_cell_volume                     1514.8(5)
_computing_cell_refinement       'RAPID-AUTO (Rigaku, 1998)'
_computing_data_collection       'RAPID-AUTO (Rigaku, 1998)'
_computing_data_reduction        'CrystalStructure (Rigaku/MSC, 2002)'
_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 0.999
_diffrn_measured_fraction_theta_max 0.999
_diffrn_measurement_device_type  'Rigaku R-AXIS RAPID-S'
_diffrn_measurement_method       '\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  0.0450
_diffrn_reflns_av_sigmaI/netI    0.0241
_diffrn_reflns_limit_h_max       11
_diffrn_reflns_limit_h_min       -11
_diffrn_reflns_limit_k_max       14
_diffrn_reflns_limit_k_min       -13
_diffrn_reflns_limit_l_max       20
_diffrn_reflns_limit_l_min       -20
_diffrn_reflns_number            7524
_diffrn_reflns_theta_full        27.44
_diffrn_reflns_theta_max         27.44
_diffrn_reflns_theta_min         3.01
_diffrn_standards_decay_%        0
_diffrn_standards_interval_count 0
_diffrn_standards_interval_time  0
_diffrn_standards_number         0
_exptl_absorpt_coefficient_mu    3.649
_exptl_absorpt_correction_T_max  0.578
_exptl_absorpt_correction_T_min  0.421
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   '(CrystalClear; Rigaku/MSC, 2002)'
_exptl_crystal_colour            colorless
_exptl_crystal_density_diffrn    2.217
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       prism
_exptl_crystal_F_000             1008
_exptl_crystal_size_max          0.3
_exptl_crystal_size_mid          0.2
_exptl_crystal_size_min          0.15
_refine_diff_density_max         0.479
_refine_diff_density_min         -0.406
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.142
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     63
_refine_ls_number_reflns         897
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      1.142
_refine_ls_R_factor_all          0.0408
_refine_ls_R_factor_gt           0.0313
_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^)+(0.0342P)^2^+2.6518P] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0708
_refine_ls_wR_factor_ref         0.0742
_reflns_number_gt                756
_reflns_number_total             897
_reflns_threshold_expression     I>2\s(I)
_cod_data_source_file            vn2042.cif
_cod_data_source_block           I
_cod_original_sg_symbol_Hall     -I22c
_cod_database_code               2235660
_cod_database_fobs_code          2235660