Synthesis Structures, and Properties of Functional 2-D Lanthanide Coordination Polymers [Ln2(dpa)2(C2O4)2(H2O)2]n(dpa = 2,2′-(2-methylbenzimidazolium-1,3-diyl)diacetate, C2O42−= oxalate, Ln = Nd, Eu, Gd, Tb)
Wang, Xiu-Jian; Cen, Zhong-Min; Ni, Qing-Ling; Jiang, Xuan-Feng; Lian, Heng-Chi; Gui, Liu-Cheng; Zuo, Hua-Hong; Wang, Zuo-Yuan; Crystal Growth & Design 10 (2010) 2960–; doi:10.1021/cg1000045

data_4501477
_publ_section_title
;
 Synthesis Structures, and Properties of Functional 2-D Lanthanide
 Coordination Polymers [Ln2(dpa)2(C2O4)2(H2O)2]n(dpa =
 2,2&#x2032;-(2-methylbenzimidazolium-1,3-diyl)diacetate, C2O42&#x2212;=
 oxalate, Ln = Nd, Eu, Gd, Tb)
;
_journal_issue                   7
_journal_name_full               'Crystal Growth &amp; Design'
_journal_page_first              2960
_journal_paper_doi               10.1021/cg1000045
_journal_volume                  10
_journal_year                    2010
_chemical_formula_moiety         'C28 H26 N4 O18 Gd2, H2 O'
_chemical_formula_sum            'C28 H28 Gd2 N4 O19'
_chemical_formula_weight         1039.04
_chemical_name_systematic
; 
 ? 
;
_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                61.9360(10)
_cell_angle_beta                 85.4460(10)
_cell_angle_gamma                70.3960(10)
_cell_formula_units_Z            2
_cell_length_a                   10.5037(9)
_cell_length_b                   13.3325(11)
_cell_length_c                   13.6089(12)
_cell_measurement_temperature    173(2)
_cell_measurement_theta_max      27.00
_cell_measurement_theta_min      2.38
_cell_volume                     1577.2(2)
_computing_cell_refinement       'Rapid Auto Version 3.0 (Rigaku 2004)'
_computing_data_collection       'Rapid Auto Version 3.0 (Rigaku 2004)'
_computing_data_reduction        'Rapid Auto Version 3.0 (Rigaku 2004)'
_computing_molecular_graphics    'SHELXTL97 (Sheldrick, 1997), Diamond'
_computing_publication_material  'SHELXTL97 (Sheldrick, 1997)'
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 1997)'
_computing_structure_solution    'SHELXS-97 (Sheldrick, 1990)'
_diffrn_ambient_temperature      173(2)
_diffrn_measured_fraction_theta_full 0.989
_diffrn_measured_fraction_theta_max 0.989
_diffrn_measurement_device_type  'Rigaku Mercury CCD'
_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  0.0223
_diffrn_reflns_av_sigmaI/netI    0.0291
_diffrn_reflns_limit_h_max       12
_diffrn_reflns_limit_h_min       -12
_diffrn_reflns_limit_k_max       15
_diffrn_reflns_limit_k_min       -15
_diffrn_reflns_limit_l_max       16
_diffrn_reflns_limit_l_min       -16
_diffrn_reflns_number            11388
_diffrn_reflns_theta_full        25.00
_diffrn_reflns_theta_max         25.00
_diffrn_reflns_theta_min         1.70
_exptl_absorpt_coefficient_mu    4.265
_exptl_absorpt_correction_T_max  0.5485
_exptl_absorpt_correction_T_min  0.2391
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   'Higashi, T. (1995)'
_exptl_crystal_colour            colorless
_exptl_crystal_density_diffrn    2.188
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       block
_exptl_crystal_F_000             1008
_exptl_crystal_size_max          0.47
_exptl_crystal_size_mid          0.33
_exptl_crystal_size_min          0.16
_refine_diff_density_max         0.987
_refine_diff_density_min         -1.065
_refine_diff_density_rms         0.133
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.106
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     478
_refine_ls_number_reflns         5499
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      1.106
_refine_ls_R_factor_all          0.0256
_refine_ls_R_factor_gt           0.0220
_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^)+(0.0366P)^2^+1.3596P] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0649
_refine_ls_wR_factor_ref         0.0669
_reflns_number_gt                4857
_reflns_number_total             5499
_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            cg1000045_si_004.cif
_cod_data_source_block           1
_cod_original_formula_sum        'C28 H28 N4 O19 Gd2'
_cod_database_code               4501477