One-Pot Conditional Self-Assembly of Multicopper Metallacycles
Kom-Bei Shiu; Shih-An Liu; Gene-Hsiang Lee; Inorganic Chemistry 49 (2010) 9902–9908; doi:10.1021/ic1008957

data_4316910
_publ_contact_author             'Kom-Bei Shiu'
_publ_contact_author_email       kbshiu@mail.ncku.edu.tw
_publ_section_title
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 One-Pot Conditional Self-Assembly of Multicopper Metallacycles
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_journal_name_full               'Inorganic Chemistry'
_journal_page_first              9902
_journal_page_last               9908
_journal_paper_doi               10.1021/ic1008957
_journal_volume                  49
_journal_year                    2010
_chemical_formula_moiety         'C224 H192 Cu8 N4 O8 P16, C H2 Cl2, 2(B F4)'
_chemical_formula_sum            'C225 H194 B2 Cl2 Cu8 F8 N4 O8 P16'
_chemical_formula_weight         4330.20
_space_group_IT_number           2
_symmetry_cell_setting           triclinic
_symmetry_Int_Tables_number      2
_symmetry_space_group_name_Hall  '-P 1'
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_computing_cell_refinement       DENZO-SMN
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_diffrn_ambient_temperature      296(2)
_diffrn_measured_fraction_theta_full 0.999
_diffrn_measured_fraction_theta_max 0.999
_diffrn_measurement_device_type  'Bruker SMART APEXII'
_diffrn_measurement_method       \w
_diffrn_radiation_monochromator  graphite
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_diffrn_radiation_type           MoK\a
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_diffrn_reflns_theta_full        26.00
_diffrn_reflns_theta_max         26.00
_diffrn_reflns_theta_min         0.99
_diffrn_source                   'fine-focus sealed tube'
_diffrn_standards_decay_%        0
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_diffrn_standards_interval_time  0
_diffrn_standards_number         0
_exptl_absorpt_coefficient_mu    0.781
_exptl_absorpt_correction_T_max  0.8595
_exptl_absorpt_correction_T_min  0.5090
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   'SADABS (Sheldrick, 1996)'
_exptl_crystal_colour            yellow
_exptl_crystal_density_diffrn    1.063
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       sheet
_exptl_crystal_F_000             2224
_exptl_crystal_size_max          1.00
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_exptl_crystal_size_min          0.20
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_refine_diff_density_min         -0.480
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_refine_ls_extinction_method     none
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_refine_ls_matrix_type           full
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_refine_ls_number_reflns         26542
_refine_ls_number_restraints     0
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_refine_ls_R_factor_all          0.1629
_refine_ls_R_factor_gt           0.0720
_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^)+(0.0981P)^2^+0.0000P] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
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_reflns_threshold_expression     I>2\s
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