Kagomé type extra-large microporous solid based on a paddle-wheel Cu2+ dimer.
Horike, Satoshi; Hasegawa, Shinpei; Tanaka, Daisuke; Higuchi, Masakazu; Kitagawa, Susumu; Chemical communications (Cambridge, England)  (2008) 4436–4438; doi:10.1039/b806616g

data_7103357
_publ_section_title
;
 Kagom\'e type extra-large microporous solid based on a paddle-wheel
 Cu2+ dimer.
;
_journal_issue                   37
_journal_name_full
'Chemical communications (Cambridge, England)'
_journal_page_first              4436
_journal_page_last               4438
_journal_paper_doi               10.1039/b806616g
_journal_year                    2008
_chemical_formula_moiety         'C16 H15 Cu N O5 '
_chemical_formula_sum            'C16 H15 Cu N O5'
_chemical_formula_weight         364.84
_space_group_IT_number           148
_symmetry_cell_setting           trigonal
_symmetry_Int_Tables_number      148
_symmetry_space_group_name_Hall  '-R 3'
_symmetry_space_group_name_H-M   'R -3 :H'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                120
_cell_formula_units_Z            18
_cell_length_a                   41.28(2)
_cell_length_b                   41.28(2)
_cell_length_c                   9.864(4)
_cell_measurement_reflns_used    10110
_cell_measurement_temperature    223.1
_cell_measurement_theta_max      27.5
_cell_measurement_theta_min      3.1
_cell_volume                     14556.3(115)
_computing_cell_refinement       CrystalClear
_computing_data_collection       CrystalClear
_computing_data_reduction        CrystalStructure
_computing_publication_material  'CrystalStructure 3.6.0'
_computing_structure_refinement  CRYSTALS
_computing_structure_solution    SIR97
_diffrn_detector_area_resol_mean 7.31
_diffrn_measured_fraction_theta_full 0.9966
_diffrn_measured_fraction_theta_max 0.9966
_diffrn_measurement_device_type  'Rigaku Mercury'
_diffrn_measurement_method       \w
_diffrn_radiation_type           'Mo K\a'
_diffrn_radiation_wavelength     0.7107
_diffrn_reflns_av_R_equivalents  0.105
_diffrn_reflns_limit_h_max       53
_diffrn_reflns_limit_h_min       -53
_diffrn_reflns_limit_k_max       53
_diffrn_reflns_limit_k_min       -53
_diffrn_reflns_limit_l_max       12
_diffrn_reflns_limit_l_min       -12
_diffrn_reflns_number            56084
_diffrn_reflns_theta_full        27.48
_diffrn_reflns_theta_max         27.48
_exptl_absorpt_coefficient_mu    0.687
_exptl_absorpt_correction_T_max  0.934
_exptl_absorpt_correction_T_min  0.716
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   'Jacobson, R. (1998) Private communication'
_exptl_crystal_colour            blue
_exptl_crystal_density_diffrn    0.745
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       prism
_exptl_crystal_F_000             3330.00
_exptl_crystal_size_max          0.15
_exptl_crystal_size_mid          0.15
_exptl_crystal_size_min          0.10
_refine_diff_density_max         0.70
_refine_diff_density_min         -0.48
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   0.903
_refine_ls_hydrogen_treatment    refall
_refine_ls_number_parameters     219
_refine_ls_number_reflns         2280
_refine_ls_R_factor_gt           0.0830
_refine_ls_shift/su_max          0.0000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
;
Chebychev polynomial with 3 parameters (Carruthers & Watkin, 1979)
6605.0300 9352.8000 3202.0800
;
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_ref         0.1480
_reflns_number_gt                2280
_reflns_number_total             7391
_reflns_threshold_expression     F^2^>2.0\s(F^2^)
_cod_data_source_file            b806616g.txt
_cod_data_source_block           '__CuNO3-4bcba'
_cod_original_sg_symbol_H-M      'R -3:H'
_cod_original_formula_sum        'C16 H15 Cu N O5 '
_cod_database_code               7103357