Poly[[diaquabis(μ-oxalato-κ^4^<i>O</i>^1^,<i>O</i>^2^:<i>O</i>^1'^,<i>O</i>^2'^)bis(μ~3~-5-oxidopyridin-1-ium-3-carboxylato-κ^3^<i>O</i>^3^:<i>O</i>^3'^:<i>O</i>^5^)diholmium(III)] dihydrate]
Mi, Jun-Long; Huang, Jing; Chen, Hong-Ji; Acta Crystallographica Section E 68 (2012) m1146–m1147; doi:10.1107/S1600536812032916

data_2236336
_publ_section_title
;
 Poly[[diaquabis(\m-oxalato-\k^4^<i>O</i>^1^,<i>O</i>^2^:<i>O</i>^1'^,<i>O</i>^2'^)bis(\m~3~-5-oxidopyridin-1-ium-3-carboxylato-\k^3^<i>O</i>^3^:<i>O</i>^3'^:<i>O</i>^5^)diholmium(III)]
 dihydrate]
;
_journal_coeditor_code           HY2567
_journal_issue                   9
_journal_name_full               'Acta Crystallographica Section E'
_journal_page_first              m1146
_journal_page_last               m1147
_journal_paper_doi               10.1107/S1600536812032916
_journal_volume                  68
_journal_year                    2012
_chemical_formula_iupac          '[Ho2 (C6 H4 N O3)2 (C2 O4)2 (H2 O)2], 2H2 O'
_chemical_formula_moiety         'C16 H12 Ho2 N2 O16, 2(H2 O)'
_chemical_formula_sum            'C16 H16 Ho2 N2 O18'
_chemical_formula_weight         854.16
_chemical_name_systematic
;
Poly[[diaquabis(\m-oxalato-
\k^4^<i>O</i>^1^,<i>O</i>^2^:<i>O</i>^1'^,<i>O</i>^2'^)bis(\m~3~-5-
oxidopyridin-1-ium-3-carboxylato-
\k^3^<i>O</i>^3^:<i>O</i>^3'^:<i>O</i>^5^)diholmium(III)] dihydrate]
;
_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
_audit_creation_method           SHELXL-97
_cell_angle_alpha                110.912(3)
_cell_angle_beta                 96.862(3)
_cell_angle_gamma                95.770(3)
_cell_formula_units_Z            1
_cell_length_a                   7.7786(16)
_cell_length_b                   8.0562(17)
_cell_length_c                   9.505(2)
_cell_measurement_reflns_used    4550
_cell_measurement_temperature    173(2)
_cell_measurement_theta_max      27.02
_cell_measurement_theta_min      2.33
_cell_volume                     545.8(2)
_computing_cell_refinement       'SAINT (Bruker, 2007)'
_computing_data_collection       'APEX2 (Bruker, 2007)'
_computing_data_reduction        'SAINT (Bruker, 2007)'
_computing_molecular_graphics    'DIAMOND (Brandenburg, 1999)'
_computing_publication_material  'SHELXTL (Sheldrick, 2008)'
_computing_structure_refinement  'SHELXTL (Sheldrick, 2008)'
_computing_structure_solution    'SHELXTL (Sheldrick, 2008)'
_diffrn_ambient_temperature      173(2)
_diffrn_measured_fraction_theta_full 0.968
_diffrn_measured_fraction_theta_max 0.968
_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  0.0169
_diffrn_reflns_av_sigmaI/netI    0.0246
_diffrn_reflns_limit_h_max       9
_diffrn_reflns_limit_h_min       -9
_diffrn_reflns_limit_k_max       10
_diffrn_reflns_limit_k_min       -10
_diffrn_reflns_limit_l_max       12
_diffrn_reflns_limit_l_min       -12
_diffrn_reflns_number            4550
_diffrn_reflns_theta_full        27.02
_diffrn_reflns_theta_max         27.02
_diffrn_reflns_theta_min         2.33
_exptl_absorpt_coefficient_mu    7.295
_exptl_absorpt_correction_T_max  0.6687
_exptl_absorpt_correction_T_min  0.3535
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   '(SADABS; Sheldrick, 1996)'
_exptl_crystal_colour            colorless
_exptl_crystal_density_diffrn    2.599
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       block
_exptl_crystal_F_000             404
_exptl_crystal_size_max          0.18
_exptl_crystal_size_mid          0.16
_exptl_crystal_size_min          0.06
_refine_diff_density_max         0.568
_refine_diff_density_min         -0.491
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.051
_refine_ls_hydrogen_treatment    mixed
_refine_ls_matrix_type           full
_refine_ls_number_parameters     192
_refine_ls_number_reflns         2295
_refine_ls_number_restraints     5
_refine_ls_restrained_S_all      1.050
_refine_ls_R_factor_all          0.0176
_refine_ls_R_factor_gt           0.0158
_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^)+(0.0160P)^2^+0.6363P] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0370
_refine_ls_wR_factor_ref         0.0379
_reflns_number_gt                2160
_reflns_number_total             2295
_reflns_threshold_expression     I>2\s(I)
_cod_data_source_file            hy2567.cif
_cod_data_source_block           I
_cod_database_code               2236336
_cod_database_fobs_code          2236336