Two lanthanide-bound 1H-benzotriazole polymers: New potential metal-organic scaffold for solid-phase organic chemistry
Zhao-Hao Li; Dong-Feng Hong; Li-Ping Xue; Wei-Jun Fu; Bang-Tun Zhao; Inorganica Chimica Acta 400 (2013) 239–242; doi:

data_1516955
_publ_section_title
;
 Two lanthanide-bound 1H-benzotriazole polymers: New potential
 metal-organic scaffold for solid-phase organic chemistry
;
_journal_name_full
;
Inorganica Chimica Acta
;
_journal_page_first              239
_journal_page_last               242
_journal_volume                  400
_journal_year                    2013
_chemical_formula_sum            'C9 H10 N3 O9 Sm'
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_atom_sites_solution_primary     direct
_atom_sites_solution_secondary   difmap
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_cell_angle_beta                 73.234(3)
_cell_angle_gamma                83.832(3)
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_cell_length_b                   9.370(3)
_cell_length_c                   10.179(3)
_cell_measurement_reflns_used    5122
_cell_measurement_temperature    296(2)
_cell_measurement_theta_max      28.20
_cell_measurement_theta_min      2.37
_cell_volume                     683.0(3)
_computing_cell_refinement       'Bruker SMART'
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_computing_molecular_graphics    'Bruker SHELXTL'
_computing_publication_material  'Bruker SHELXTL'
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 1997)'
_computing_structure_solution    'SHELXS-97 (Sheldrick, 1990)'
_diffrn_ambient_temperature      296(2)
_diffrn_measured_fraction_theta_full 0.991
_diffrn_measured_fraction_theta_max 0.991
_diffrn_measurement_device_type  'CCD area detector'
_diffrn_measurement_method       'phi and omega scans'
_diffrn_radiation_monochromator  graphite
_diffrn_radiation_source         'fine-focus sealed tube'
_diffrn_radiation_type           MoK\a
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_diffrn_reflns_limit_h_max       9
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_diffrn_reflns_limit_l_min       -12
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_diffrn_reflns_theta_full        25.50
_diffrn_reflns_theta_max         25.50
_diffrn_reflns_theta_min         2.37
_diffrn_standards_decay_%        0
_diffrn_standards_interval_count 0
_diffrn_standards_interval_time  0
_diffrn_standards_number         0
_exptl_absorpt_coefficient_mu    4.352
_exptl_absorpt_correction_T_max  0.4618
_exptl_absorpt_correction_T_min  0.3192
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   sadabs
_exptl_crystal_colour            colourless
_exptl_crystal_density_diffrn    2.210
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       block
_exptl_crystal_F_000             438
_exptl_crystal_size_max          0.34
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_refine_diff_density_max         0.443
_refine_diff_density_min         -0.589
_refine_diff_density_rms         0.065
_refine_ls_extinction_method     none
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_refine_ls_matrix_type           full
_refine_ls_number_parameters     205
_refine_ls_number_reflns         2520
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      1.050
_refine_ls_R_factor_all          0.0140
_refine_ls_R_factor_gt           0.0134
_refine_ls_shift/su_max          0.003
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'calc w=1/[\s^2^(Fo^2^)+(0.0154P)^2^+0.5518P] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0324
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_reflns_number_gt                2453
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_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            ICA-2013-400-239-243-1.cif
_cod_data_source_block           a
_cod_original_cell_volume        682.9(4)
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