Poly[tetraaquabis(μ~4~-cyclohexane-1,4-dicarboxylato-κ^6^<i>O</i>:<i>O</i>,<i>O</i>':<i>O</i>'':<i>O</i>'',<i>O</i>''')hemi(μ~2~-cyclohexane-1,4-dicarboxylato-κ^2^<i>O</i>:<i>O</i>')hemi(μ~2~-cyclohexane-1,4-dicarboxylato-κ^4^<i>O</i>,<i>O</i>':<i>O</i>'',<i>O</i>''')dipraseodymium(III)]
Yu, Miao; Liu, Shu-Xia; Xie, Lin-Hua; Cao, Rui-Ge; Ren, Yuan-Hang; Acta Crystallographica Section E 63 (2007) m1889–m1890; doi:10.1107/S1600536807028437

data_2214349
_publ_section_title
Poly[tetraaquabis(\m~4~-cyclohexane-1,4-dicarboxylato-\k^6^<i>O</i>:<i>O</i>,<i>O</i>':<i>O</i>'':<i>O</i>'',<i>O</i>''')hemi(\m~2~-cyclohexane-1,4-dicarboxylato-\k^2^<i>O</i>:<i>O</i>')hemi(\m~2~-cyclohexane-1,4-dicarboxylato-\k^4^<i>O</i>,<i>O</i>':<i>O</i>'',<i>O</i>''')dipraseodymium(III)]
_journal_coeditor_code           NG2275
_journal_issue                   7
_journal_name_full               'Acta Crystallographica Section E'
_journal_page_first              m1889
_journal_page_last               m1890
_journal_paper_doi               10.1107/S1600536807028437
_journal_volume                  63
_journal_year                    2007
_chemical_formula_iupac          '[Pr2 (C8 H10 O4)3 (H2 O)4]'
_chemical_formula_moiety         'C24 H38 O16 Pr2'
_chemical_formula_sum            'C24 H38 O16 Pr2'
_chemical_formula_weight         864.36
_chemical_name_systematic
;
Poly[tetraaquabis(\m~4~-cyclohexane-1,4-dicarboxylato-
\k^6^<i>O</i>:O,<i>O</i>':O'':<i>O</i>'',<i>O</i>''')hemi(\m~2~-cyclohexane-
1,4-dicarboxylato-\k^2^O:O')hemi(\m~2~-cyclohexane-1,4-dicarboxylato-
\k^4^O,O':O'',O''')dipraseodymium(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           SHELXL-97
_cell_angle_alpha                94.794(18)
_cell_angle_beta                 115.82(3)
_cell_angle_gamma                101.128(12)
_cell_formula_units_Z            2
_cell_length_a                   11.439(2)
_cell_length_b                   11.964(2)
_cell_length_c                   12.343(3)
_cell_measurement_reflns_used    776
_cell_measurement_temperature    298(2)
_cell_measurement_theta_max      25.00
_cell_measurement_theta_min      3.03
_cell_volume                     1464.9(7)
_computing_cell_refinement       PROCESS-AUTO
_computing_data_collection       'PROCESS-AUTO (Rigaku, 1998)'
_computing_data_reduction        PROCESS-AUTO
_computing_molecular_graphics
;
ORTEP-3 for Windows (Farrugia, 1997) and DIAMOND (Brandenburg,
1998)
;
_computing_publication_material  'SHELXTL (Bruker, 2001)'
_computing_structure_refinement  'SHELXL97 (Sheldrick, 1997)'
_computing_structure_solution    'SHELXS97 (Sheldrick, 1997)'
_diffrn_ambient_temperature      298(2)
_diffrn_detector_area_resol_mean 0
_diffrn_measured_fraction_theta_full 0.991
_diffrn_measured_fraction_theta_max 0.991
_diffrn_measurement_device_type  'Rigaku R-AXIS RAPID IP'
_diffrn_measurement_method       \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  0.0291
_diffrn_reflns_av_sigmaI/netI    0.0369
_diffrn_reflns_limit_h_max       12
_diffrn_reflns_limit_h_min       -13
_diffrn_reflns_limit_k_max       14
_diffrn_reflns_limit_k_min       -14
_diffrn_reflns_limit_l_max       14
_diffrn_reflns_limit_l_min       -14
_diffrn_reflns_number            11551
_diffrn_reflns_theta_full        25.00
_diffrn_reflns_theta_max         25.00
_diffrn_reflns_theta_min         3.03
_diffrn_standards_decay_%        0
_diffrn_standards_interval_count 0
_diffrn_standards_interval_time  0
_diffrn_standards_number         0
_exptl_absorpt_coefficient_mu    3.361
_exptl_absorpt_correction_T_max  0.443
_exptl_absorpt_correction_T_min  0.419
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   '(ABSCOR; Higashi, 1995)'
_exptl_crystal_colour            white
_exptl_crystal_density_diffrn    1.960
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       block
_exptl_crystal_F_000             856
_exptl_crystal_size_max          0.27
_exptl_crystal_size_mid          0.26
_exptl_crystal_size_min          0.24
_refine_diff_density_max         0.506
_refine_diff_density_min         -0.897
_refine_ls_extinction_coef       0
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.083
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     379
_refine_ls_number_reflns         5116
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      1.083
_refine_ls_R_factor_all          0.0290
_refine_ls_R_factor_gt           0.0244
_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^)+(0.0084P)^2^+2.1565P] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0496
_refine_ls_wR_factor_ref         0.0510
_reflns_number_gt                4548
_reflns_number_total             5116
_reflns_threshold_expression     I>2sigma(I)
_cod_data_source_file            ng2275.cif
_cod_data_source_block           I
_cod_database_code               2214349
_cod_database_fobs_code          2214349