Interconversion between ladder-type octanuclear and linear tetranuclear copper(i) complexes supported by tetraphosphine ligands
Takemura, Yukie; Nakajima, Takayuki; Tanase, Tomoaki; Dalton Transactions  (2009) 10231–10243; doi:10.1039/b909252h

data_7002838
_publ_section_title
;
 Interconversion between ladder-type octanuclear and linear
 tetranuclear copper(i) complexes supported by tetraphosphine ligands
;
_journal_issue                   46
_journal_name_full               'Dalton Transactions'
_journal_page_first              10231
_journal_page_last               10243
_journal_paper_doi               10.1039/b909252h
_journal_year                    2009
_chemical_formula_moiety         'C80 H72 Cl6 Cu8 F6 O6 P8 S2 '
_chemical_formula_sum            'C80 H72 Cl6 Cu8 F6 O6 P8 S2'
_chemical_formula_weight         2276.43
_space_group_IT_number           14
_symmetry_cell_setting           monoclinic
_symmetry_Int_Tables_number      14
_symmetry_space_group_name_Hall  '-P 2ybc'
_symmetry_space_group_name_H-M   'P 1 21/c 1'
_cell_angle_alpha                90.0000
_cell_angle_beta                 95.3499(11)
_cell_angle_gamma                90.0000
_cell_formula_units_Z            2
_cell_length_a                   12.222(4)
_cell_length_b                   14.096(5)
_cell_length_c                   24.830(9)
_cell_measurement_reflns_used    5864
_cell_measurement_temperature    153(2)
_cell_measurement_theta_max      27.5
_cell_measurement_theta_min      3.0
_cell_volume                     4259(3)
_computing_cell_refinement       CrystalClear
_computing_data_collection       CrystalClear
_computing_data_reduction        CrystalStructure
_computing_molecular_graphics    ORTEP-II
_computing_publication_material  'CrystalStructure 3.8'
_computing_structure_refinement  CRYSTALS
_computing_structure_solution    SIR97
_diffrn_ambient_temperature      153(2)
_diffrn_detector_area_resol_mean 7.31
_diffrn_measured_fraction_theta_full 0.980
_diffrn_measured_fraction_theta_max 0.980
_diffrn_measurement_device_type  'Rigaku Mercury'
_diffrn_measurement_method       \w
_diffrn_radiation_type           'Mo K\a'
_diffrn_radiation_wavelength     0.71070
_diffrn_reflns_av_R_equivalents  0.036
_diffrn_reflns_limit_h_max       14
_diffrn_reflns_limit_h_min       -15
_diffrn_reflns_limit_k_max       17
_diffrn_reflns_limit_k_min       -17
_diffrn_reflns_limit_l_max       27
_diffrn_reflns_limit_l_min       -31
_diffrn_reflns_number            39182
_diffrn_reflns_theta_full        25.00
_diffrn_reflns_theta_max         27.13
_exptl_absorpt_coefficient_mu    2.410
_exptl_absorpt_correction_T_max  0.953
_exptl_absorpt_correction_T_min  0.865
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   'Jacobson, R. (1998) Private communication'
_exptl_crystal_colour            colorless
_exptl_crystal_density_diffrn    1.775
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       needle
_exptl_crystal_F_000             2280.00
_exptl_crystal_size_max          0.25
_exptl_crystal_size_mid          0.05
_exptl_crystal_size_min          0.02
_refine_diff_density_max         2.50
_refine_diff_density_min         -2.02
_refine_ls_extinction_coef       none
_refine_ls_goodness_of_fit_ref   1.383
_refine_ls_hydrogen_treatment    refall
_refine_ls_number_parameters     345
_refine_ls_number_reflns         9020
_refine_ls_R_factor_gt           0.0824
_refine_ls_shift/su_max          0.003
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'w = 1/[0.0010Fo^2^ + 3.0000\s(Fo^2^) + 0.5000]/(4Fo^2^)'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_ref         0.1814
_reflns_number_gt                4305
_reflns_number_total             9020
_reflns_threshold_expression     F^2^>2.0\s(F^2^)
_cod_data_source_file            b909252h.txt
_cod_data_source_block           '_compound2-revised'
_cod_original_formula_sum        'C80 H72 Cl6 Cu8 F6 O6 P8 S2 '
_cod_database_code               7002838