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_4316911
_publ_contact_author             'Kom-Bei Shiu'
_publ_contact_author_email       kbshiu@mail.ncku.edu.tw
_publ_section_title
;
 One-Pot Conditional Self-Assembly of Multicopper Metallacycles
;
_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         'C57 H51 Cu2 N O2 P4, 2(B F4), 4(C H2 Cl2)'
_chemical_formula_sum            'C61 H59 B2 Cl8 Cu2 F8 N O2 P4'
_chemical_formula_weight         1546.27
_space_group_IT_number           14
_symmetry_cell_setting           monoclinic
_symmetry_Int_Tables_number      14
_symmetry_space_group_name_Hall  '-P 2ybc'
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_cell_angle_gamma                90.00
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_cell_length_a                   12.578(5)
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_computing_cell_refinement       DENZO-SMN
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_diffrn_ambient_temperature      100(2)
_diffrn_measured_fraction_theta_full 0.993
_diffrn_measured_fraction_theta_max 0.993
_diffrn_measurement_device_type  'Bruker SMART APEXII'
_diffrn_measurement_method       \w
_diffrn_radiation_monochromator  graphite
_diffrn_radiation_probe          x-ray
_diffrn_radiation_type           MoK\a
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_diffrn_reflns_number            42559
_diffrn_reflns_theta_full        26.50
_diffrn_reflns_theta_max         26.50
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_diffrn_source                   'fine-focus sealed tube'
_diffrn_standards_decay_%        0
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_diffrn_standards_number         0
_exptl_absorpt_coefficient_mu    1.093
_exptl_absorpt_correction_T_max  0.5600
_exptl_absorpt_correction_T_min  0.4078
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   'SADABS (Sheldrick, 1996)'
_exptl_crystal_colour            'pale yellow'
_exptl_crystal_density_diffrn    1.503
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       bulk
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_refine_ls_extinction_method     none
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_refine_ls_number_reflns         14061
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_refine_ls_shift/su_max          0.001
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'calc w=1/[\s^2^(Fo^2^)+(0.1148P)^2^+13.5205P] 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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Id: cif_correct_tags 4998 2017-03-02 13:24:31Z antanas 
;
_cod_original_cell_volume        6833(4)
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