Bis(μ-3,5-dinitrobenzoato-κ^2^<i>O</i>^1^:<i>O</i>^1'^)bis(μ-3,5-dinitrobenzoato)-κ^3^<i>O</i>^1^,<i>O</i>^1'^:<i>O</i>^1^;κ^3^<i>O</i>^1^:<i>O</i>^1^,<i>O</i>^1'^-bis[(3,5-dinitrobenzoato-κ^2^<i>O</i>^1^,<i>O</i>^1'^)(1,10-phenanthroline-κ^2^<i>N</i>,<i>N</i>)dysprosium(III)]
Dong, Chun-Hua; Zhang, Da-Hai; Ren, Ning; Xi, Gai-Qing; Hao, Juan-Juan; Acta Crystallographica Section E 67 (2011) m102–; doi:10.1107/S1600536810052001

data_2228761
_publ_section_title
;
 Bis(\m-3,5-dinitrobenzoato-\k^2^<i>O</i>^1^:<i>O</i>^1'^)bis(\m-3,5-dinitrobenzoato)-\k^3^<i>O</i>^1^,<i>O</i>^1'^:<i>O</i>^1^;\k^3^<i>O</i>^1^:<i>O</i>^1^,<i>O</i>^1'^-bis[(3,5-dinitrobenzoato-\k^2^<i>O</i>^1^,<i>O</i>^1'^)(1,10-phenanthroline-\k^2^<i>N</i>,<i>N</i>)dysprosium(III)]
;
_journal_coeditor_code           IM2251
_journal_issue                   1
_journal_name_full               'Acta Crystallographica Section E'
_journal_page_first              m102
_journal_paper_doi               10.1107/S1600536810052001
_journal_volume                  67
_journal_year                    2011
_chemical_formula_iupac          '[Dy2 (C7 H3 N2 O6)6 (C12 H8 N2)2]'
_chemical_formula_moiety         'C66 H34 Dy2 N16 O36'
_chemical_formula_sum            'C66 H34 Dy2 N16 O36'
_chemical_formula_weight         1952.09
_chemical_name_systematic
;
Bis(\m-3,5-dinitrobenzoato-\k^2^<i>O</i>^1^:<i>O</i>^1'^)bis(\m-3,5-
dinitrobenzoato)-\k^3^<i>O</i>^1^,<i>O</i>^1'^:<i>O</i>^1^;
\k^3^<i>O</i>^1^:<i>O</i>^1^,<i>O</i>^1'^-bis[(3,5-dinitrobenzoato-
\k^2^<i>O</i>^1^,<i>O</i>^1'^)(1,10-phenanthroline-
\k^2^<i>N</i>,<i>N</i>)dysprosium(III)]
;
_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           SHELXL97
_cell_angle_alpha                104.24(5)
_cell_angle_beta                 113.96(5)
_cell_angle_gamma                100.46(5)
_cell_formula_units_Z            1
_cell_length_a                   11.9569(4)
_cell_length_b                   12.8636(4)
_cell_length_c                   13.1187(4)
_cell_measurement_reflns_used    9404
_cell_measurement_temperature    296(2)
_cell_measurement_theta_max      31.03
_cell_measurement_theta_min      2.92
_cell_volume                     1694.6(12)
_computing_cell_refinement       'SAINT (Bruker, 2001)'
_computing_data_collection       'APEX2 (Bruker, 2004)'
_computing_data_reduction        'SAINT (Bruker, 2001)'
_computing_molecular_graphics    'SHELXTL (Sheldrick, 2008)'
_computing_publication_material  'SHELXTL (Sheldrick, 2008) and local programs'
_computing_structure_refinement  'SHELXL97 (Sheldrick, 2008)'
_computing_structure_solution    'SHELXS97 (Sheldrick, 2008)'
_diffrn_ambient_temperature      296(2)
_diffrn_measured_fraction_theta_full 0.964
_diffrn_measured_fraction_theta_max 0.964
_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  0.0105
_diffrn_reflns_av_sigmaI/netI    0.0190
_diffrn_reflns_limit_h_max       14
_diffrn_reflns_limit_h_min       -14
_diffrn_reflns_limit_k_max       15
_diffrn_reflns_limit_k_min       -14
_diffrn_reflns_limit_l_max       9
_diffrn_reflns_limit_l_min       -15
_diffrn_reflns_number            8296
_diffrn_reflns_theta_full        25.01
_diffrn_reflns_theta_max         25.01
_diffrn_reflns_theta_min         2.92
_diffrn_standards_number         0
_exptl_absorpt_coefficient_mu    2.305
_exptl_absorpt_correction_T_max  0.7694
_exptl_absorpt_correction_T_min  0.7237
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   '(SADABS; Sheldrick, 1997)'
_exptl_crystal_colour            yellow
_exptl_crystal_density_diffrn    1.913
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       block
_exptl_crystal_F_000             962
_exptl_crystal_size_max          0.15
_exptl_crystal_size_mid          0.13
_exptl_crystal_size_min          0.12
_refine_diff_density_max         0.433
_refine_diff_density_min         -0.778
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.025
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     541
_refine_ls_number_reflns         5771
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      1.025
_refine_ls_R_factor_all          0.0164
_refine_ls_R_factor_gt           0.0158
_refine_ls_shift/su_max          0.002
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'calc w=1/[\s^2^(Fo^2^)+(0.0218P)^2^+1.1919P] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0410
_refine_ls_wR_factor_ref         0.0412
_reflns_number_gt                5624
_reflns_number_total             5771
_reflns_threshold_expression     I>2sigma(I)
_cod_data_source_file            im2251.cif
_cod_data_source_block           I
_cod_database_code               2228761
_cod_database_fobs_code          2228761