Microporous Lanthanide-Organic Frameworks with Open Metal Sites: Unexpected Sorption Propensity and Multifunctional Properties
Woo Ram Lee; Dae Won Ryu; Jin Wuk Lee; Jung Hee Yoon; Eui Kwan Koh; Chang Seop Hong; Inorganic Chemistry 49 (2010) 4723–4725; doi:10.1021/ic902182x

data_4315717
_publ_section_title
;
 Microporous Lanthanide-Organic Frameworks with Open Metal Sites:
 Unexpected Sorption Propensity and Multifunctional Properties
;
_journal_name_full               'Inorganic Chemistry'
_journal_page_first              4723
_journal_page_last               4725
_journal_paper_doi               10.1021/ic902182x
_journal_volume                  49
_journal_year                    2010
_chemical_formula_sum            'C24 H19 N Nd O8 P'
_chemical_formula_weight         624.61
_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                73.0570(10)
_cell_angle_beta                 71.5280(10)
_cell_angle_gamma                66.4560(10)
_cell_formula_units_Z            2
_cell_length_a                   10.7298(3)
_cell_length_b                   11.9079(4)
_cell_length_c                   14.7678(4)
_cell_measurement_reflns_used    8344
_cell_measurement_temperature    130(2)
_cell_measurement_theta_max      28.205
_cell_measurement_theta_min      2.1265
_cell_volume                     1610.92(8)
_computing_cell_refinement       'Bruker SMART APEXII'
_computing_data_collection       'Bruker SMART APEXII'
_computing_data_reduction        'Bruker SAINT'
_computing_molecular_graphics    WingX
_computing_publication_material  WingX
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 1997)'
_computing_structure_solution    SHELXTL
_diffrn_ambient_temperature      130(2)
_diffrn_measured_fraction_theta_full 0.945
_diffrn_measured_fraction_theta_max 0.945
_diffrn_measurement_device_type  'CCD area detector'
_diffrn_measurement_method       'omega 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  0.0246
_diffrn_reflns_av_sigmaI/netI    0.0272
_diffrn_reflns_limit_h_max       14
_diffrn_reflns_limit_h_min       -14
_diffrn_reflns_limit_k_max       14
_diffrn_reflns_limit_k_min       -15
_diffrn_reflns_limit_l_max       18
_diffrn_reflns_limit_l_min       -18
_diffrn_reflns_number            25284
_diffrn_reflns_theta_full        28.25
_diffrn_reflns_theta_max         28.25
_diffrn_reflns_theta_min         1.48
_exptl_absorpt_coefficient_mu    1.698
_exptl_absorpt_correction_T_max  0.8445
_exptl_absorpt_correction_T_min  0.5350
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   sadabs
_exptl_crystal_colour            colorless(blue)
_exptl_crystal_density_diffrn    1.288
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       triclinc
_exptl_crystal_F_000             618
_exptl_crystal_size_max          0.42
_exptl_crystal_size_mid          0.18
_exptl_crystal_size_min          0.10
_platon_squeeze_details
;
;
_refine_diff_density_max         1.211
_refine_diff_density_min         -1.184
_refine_diff_density_rms         0.180
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.151
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     318
_refine_ls_number_reflns         7548
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      1.151
_refine_ls_R_factor_all          0.0372
_refine_ls_R_factor_gt           0.0345
_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^)+(0.0853P)^2^+1.5473P] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1225
_refine_ls_wR_factor_ref         0.1268
_reflns_number_gt                6952
_reflns_number_total             7548
_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            ic902182x_si_001.cif
_cod_data_source_block           squeezed
_cod_database_code               4315717