Structure and photoluminescence property of two-dimensional coordination polymer complexes involving Cu(I)(6)X(6)(X = Cl, Br, I) hexagon prism cluster supported by a tripodal tripyridine ligand with 1,3,5-triethylbenzene spacer.
Ohi, Hiromi; Tachi, Yoshimitsu; Kunimoto, Takashi; Itoh, Shinobu; Dalton transactions (Cambridge, England : 2003)  (2005) 3146–3147; doi:10.1039/b508747c

data_7008809
_publ_section_title
;
 Structure and photoluminescence property of two-dimensional
 coordination polymer complexes involving Cu(I)(6)X(6)(X = Cl, Br, I)
 hexagon prism cluster supported by a tripodal tripyridine ligand with
 1,3,5-triethylbenzene spacer.
;
_journal_issue                   19
_journal_name_full
'Dalton transactions (Cambridge, England : 2003)'
_journal_page_first              3146
_journal_page_last               3147
_journal_paper_doi               10.1039/b508747c
_journal_year                    2005
_chemical_formula_moiety         'C33 H39 Cu3 I3 N3 '
_chemical_formula_sum            'C33 H39 Cu3 I3 N3'
_chemical_formula_weight         1049.04
_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                90.0000
_cell_angle_beta                 90.0000
_cell_angle_gamma                120.0000
_cell_formula_units_Z            6
_cell_length_a                   15.3547(17)
_cell_length_b                   15.3547(17)
_cell_length_c                   25.539(5)
_cell_measurement_reflns_used    10896
_cell_measurement_temperature    163.1
_cell_measurement_theta_max      27.4
_cell_measurement_theta_min      3.2
_cell_volume                     5214.6(13)
_computing_cell_refinement       PROCESS-AUTO
_computing_data_collection       PROCESS-AUTO
_computing_data_reduction        CrystalStructure
_computing_molecular_graphics    ORTEP3
_computing_publication_material  'CrystalStructure 3.7.0'
_computing_structure_refinement  CRYSTALS
_computing_structure_solution    SIR92
_diffrn_detector_area_resol_mean 10.00
_diffrn_measured_fraction_theta_full 1.062
_diffrn_measured_fraction_theta_max 1.062
_diffrn_measurement_device_type  'Rigaku RAXIS-RAPID'
_diffrn_measurement_method       \w
_diffrn_radiation_type           'Mo K\a'
_diffrn_radiation_wavelength     0.71075
_diffrn_reflns_av_R_equivalents  0.044
_diffrn_reflns_limit_h_max       19
_diffrn_reflns_limit_h_min       -18
_diffrn_reflns_limit_k_max       19
_diffrn_reflns_limit_k_min       -18
_diffrn_reflns_limit_l_max       33
_diffrn_reflns_limit_l_min       -33
_diffrn_reflns_number            16836
_diffrn_reflns_theta_full        27.43
_diffrn_reflns_theta_max         27.43
_exptl_absorpt_coefficient_mu    4.511
_exptl_absorpt_correction_T_max  0.729
_exptl_absorpt_correction_T_min  0.331
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details
;
Higashi, T. (1995). Program for Absorption Correction.
Rigaku Corporation, Tokyo, Japan.
;
_exptl_crystal_colour            colorless
_exptl_crystal_density_diffrn    2.004
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       prism
_exptl_crystal_F_000             3024.00
_exptl_crystal_size_max          0.15
_exptl_crystal_size_mid          0.09
_exptl_crystal_size_min          0.07
_refine_diff_density_max         1.19
_refine_diff_density_min         -0.75
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.032
_refine_ls_hydrogen_treatment    refall
_refine_ls_number_parameters     140
_refine_ls_number_reflns         2646
_refine_ls_R_factor_gt           0.0203
_refine_ls_shift/su_max          0.0000
_refine_ls_structure_factor_coef F
_refine_ls_weighting_details     'w = 1/[0.0001Fo^2^ + 0.3000\s(Fo^2^)]'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_ref         0.0230
_reflns_number_gt                2142
_reflns_number_total             2646
_reflns_threshold_expression     F^2^>2.0\s(F^2^)
_cod_data_source_file            b508747c.txt
_cod_data_source_block           '_[Cu6I6L2]n'
_cod_original_cell_volume        5214.5(13)
_cod_original_sg_symbol_H-M      'R -3'
_cod_original_formula_sum        'C33 H39 Cu3 I3 N3 '
_cod_database_code               7008809