Diverse structures and adsorption properties of quasi-Werner-type copper(ii) complexes with flexible and polar axial bonds.
Noro, Shin-Ichiro; Ohba, Tomonori; Fukuhara, Katsuo; Takahashi, Yukiko; Akutagawa, Tomoyuki; Nakamura, Takayoshi; Dalton transactions (Cambridge, England : 2003) 40 (2011) 2268–2274; doi:10.1039/c0dt01129k

data_7014750
_publ_section_title
;
 Diverse structures and adsorption properties of quasi-Werner-type
 copper(ii) complexes with flexible and polar axial bonds.
;
_journal_issue                   10
_journal_name_full
'Dalton transactions (Cambridge, England : 2003)'
_journal_page_first              2268
_journal_page_last               2274
_journal_paper_doi               10.1039/c0dt01129k
_journal_volume                  40
_journal_year                    2011
_chemical_formula_moiety         'C63 H86 Cu2 F24 N8 O5 P4 '
_chemical_formula_sum            'C63 H86 Cu2 F24 N8 O5 P4'
_chemical_formula_weight         1742.37
_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                 102.5290(16)
_cell_angle_gamma                90.0000
_cell_formula_units_Z            4
_cell_length_a                   15.8084(10)
_cell_length_b                   15.7072(9)
_cell_length_c                   33.2060(16)
_cell_measurement_reflns_used    35410
_cell_measurement_temperature    173.1
_cell_measurement_theta_max      27.5
_cell_measurement_theta_min      3.0
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_computing_cell_refinement       PROCESS-AUTO
_computing_data_collection       PROCESS-AUTO
_computing_data_reduction        CrystalStructure
_computing_publication_material  'CrystalStructure 3.8'
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_diffrn_detector_area_resol_mean 10.00
_diffrn_measured_fraction_theta_full 0.996
_diffrn_measured_fraction_theta_max 0.996
_diffrn_measurement_device_type  'Rigaku RAXIS-RAPID'
_diffrn_measurement_method       \w
_diffrn_radiation_type           'Mo K\a'
_diffrn_radiation_wavelength     0.71075
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_diffrn_reflns_limit_h_max       20
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_diffrn_reflns_limit_l_min       -43
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_diffrn_reflns_theta_full        27.49
_diffrn_reflns_theta_max         27.49
_exptl_absorpt_coefficient_mu    0.712
_exptl_absorpt_correction_type   none
_exptl_crystal_colour            purple
_exptl_crystal_density_diffrn    1.438
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       platelet
_exptl_crystal_F_000             3576.00
_exptl_crystal_size_max          0.75
_exptl_crystal_size_mid          0.45
_exptl_crystal_size_min          0.13
_refine_diff_density_max         1.20
_refine_diff_density_min         -1.02
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.102
_refine_ls_hydrogen_treatment    refall
_refine_ls_number_parameters     961
_refine_ls_number_reflns         7913
_refine_ls_R_factor_gt           0.0910
_refine_ls_shift/su_max          0.0014
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
;
Chebychev polynomial with 3 parameters (Carruthers & Watkin, 1979)
1077.1100 1478.8900 420.5950
;
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_ref         0.1290
_reflns_number_gt                7819
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_reflns_threshold_expression     F^2^>2.0\s(F^2^)
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_cod_original_formula_sum        'C63 H86 Cu2 F24 N8 O5 P4 '
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