Poly[hexaaquahexakis(μ-pyridine-2,4-dicarboxylato)tricopper(II)dieuropium(III)]
Lush, Shie Fu; Shen, Fwu Ming; Acta Crystallographica Section E 66 (2010) m1516–m1517; doi:10.1107/S1600536810044594

data_2228599
_publ_section_title
;
 Poly[hexaaquahexakis(\m-pyridine-2,4-dicarboxylato)tricopper(II)dieuropium(III)]
;
_journal_coeditor_code           XU5066
_journal_issue                   12
_journal_name_full               'Acta Crystallographica Section E'
_journal_page_first              m1516
_journal_page_last               m1517
_journal_paper_doi               10.1107/S1600536810044594
_journal_volume                  66
_journal_year                    2010
_chemical_formula_iupac          '[Cu3 Eu2 (C7 H3 N O4)6 (H2 O)6]'
_chemical_formula_moiety         'C42 H30 Cu3 Eu2 N6 O30'
_chemical_formula_sum            'C42 H30 Cu3 Eu2 N6 O30'
_chemical_formula_weight         1593.29
_chemical_name_systematic
;
Poly[hexaaquahexakis(\m-pyridine-2,4-dicarboxylato)tricopper(II)dieuropium(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
_cell_angle_alpha                86.186(2)
_cell_angle_beta                 81.556(2)
_cell_angle_gamma                86.561(2)
_cell_formula_units_Z            1
_cell_length_a                   9.4296(10)
_cell_length_b                   10.7002(11)
_cell_length_c                   12.2874(13)
_cell_measurement_reflns_used    6583
_cell_measurement_temperature    294
_cell_measurement_theta_max      25.0
_cell_measurement_theta_min      2.50
_cell_volume                     1222.0(2)
_computing_cell_refinement       'SAINT (Bruker, 1999)'
_computing_data_collection       'SMART (Bruker, 2000)'
_computing_data_reduction        'SAINT (Bruker, 1999)'
_computing_molecular_graphics    'PLATON (Spek, 2009)'
_computing_publication_material  'PLATON (Spek, 2009)'
_computing_structure_refinement  'SHELXTL (Sheldrick, 2008)'
_computing_structure_solution    'SHELXTL (Sheldrick, 2008)'
_diffrn_ambient_temperature      294
_diffrn_detector_area_resol_mean 9
_diffrn_measured_fraction_theta_full 0.998
_diffrn_measured_fraction_theta_max 0.949
_diffrn_measurement_device_type  'Bruker SMART CCD area-detector'
_diffrn_measurement_method       '\f and \w'
_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  0.0442
_diffrn_reflns_av_sigmaI/netI    0.0514
_diffrn_reflns_limit_h_max       12
_diffrn_reflns_limit_h_min       -12
_diffrn_reflns_limit_k_max       13
_diffrn_reflns_limit_k_min       -13
_diffrn_reflns_limit_l_max       16
_diffrn_reflns_limit_l_min       -15
_diffrn_reflns_number            12982
_diffrn_reflns_theta_full        25.00
_diffrn_reflns_theta_max         28.31
_diffrn_reflns_theta_min         1.68
_exptl_absorpt_coefficient_mu    3.923
_exptl_absorpt_correction_T_max  0.977
_exptl_absorpt_correction_T_min  0.659
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   '(SADABS; Bruker, 2000)'
_exptl_crystal_colour            blue
_exptl_crystal_density_diffrn    2.165
_exptl_crystal_density_method    'Not Measured'
_exptl_crystal_description       equant
_exptl_crystal_F_000             777
_exptl_crystal_size_max          0.24
_exptl_crystal_size_mid          0.20
_exptl_crystal_size_min          0.20
_refine_diff_density_max         1.690
_refine_diff_density_min         -0.943
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   0.976
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     376
_refine_ls_number_reflns         5780
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      0.976
_refine_ls_R_factor_all          0.0373
_refine_ls_R_factor_gt           0.0284
_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^)+(0.0323P)^2^] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0640
_refine_ls_wR_factor_ref         0.0660
_reflns_number_gt                4828
_reflns_number_total             5780
_reflns_threshold_expression     I>2\s(I)
_cod_data_source_file            xu5066.cif
_cod_data_source_block           I
_cod_database_code               2228599
_cod_database_fobs_code          2228599