Rational Synthesis of a Porous Copper(II) Coordination Polymer Bridged by Weak Lewis-Base Inorganic Monoanions Using an Anion-Mixing Method
Shin-ichiro Noro; Katsuo Fukuhara; Yuh Hijikata; Kazuya Kubo; Takayoshi Nakamura; Inorganic Chemistry 52 (2013) 5630–5632; doi:10.1021/ic400276c

data_4334891
_publ_section_title
;
 Rational Synthesis of a Porous Copper(II) Coordination Polymer Bridged by
 Weak Lewis-Base Inorganic Monoanions Using an Anion-Mixing Method
;
_journal_name_full               'Inorganic Chemistry'
_journal_page_first              5630
_journal_page_last               5632
_journal_paper_doi               10.1021/ic400276c
_journal_volume                  52
_journal_year                    2013
_chemical_formula_moiety         'C27 H28 Cu F9 N4 O3 P S'
_chemical_formula_sum            'C27 H28 Cu F9 N4 O3 P S'
_chemical_formula_weight         754.11
_space_group_IT_number           63
_symmetry_cell_setting           orthorhombic
_symmetry_Int_Tables_number      63
_symmetry_space_group_name_Hall  '-C 2c 2'
_symmetry_space_group_name_H-M   'C m c m'
_atom_sites_solution_hydrogens   geom
_atom_sites_solution_primary     direct
_atom_sites_solution_secondary   difmap
_cell_angle_alpha                90.0000
_cell_angle_beta                 90.0000
_cell_angle_gamma                90.0000
_cell_formula_units_Z            4
_cell_length_a                   12.5414(11)
_cell_length_b                   18.4210(18)
_cell_length_c                   15.6352(12)
_cell_measurement_reflns_used    9748
_cell_measurement_temperature    173
_cell_measurement_theta_max      27.41
_cell_measurement_theta_min      3.25
_cell_volume                     3612.1(5)
_computing_cell_refinement       'RAPID AUTO'
_computing_data_collection       'RAPID AUTO (Rigaku, ????)'
_computing_data_reduction        'RAPID AUTO'
_computing_molecular_graphics    'CrystalStructure 4.0'
_computing_publication_material  'CrystalStructure 4.0 (Rigaku, 2010)'
_computing_structure_refinement  'SHELXL97 (Sheldrick, 2008)'
_diffrn_ambient_temperature      173
_diffrn_detector_area_resol_mean 10.000
_diffrn_measured_fraction_theta_full 0.995
_diffrn_measured_fraction_theta_max 0.995
_diffrn_measurement_device_type  'Rigaku R-AXIS RAPID'
_diffrn_measurement_method       \w
_diffrn_radiation_type           'Mo K\a'
_diffrn_radiation_wavelength     0.71075
_diffrn_reflns_av_R_equivalents  0.0852
_diffrn_reflns_limit_h_max       15
_diffrn_reflns_limit_h_min       -16
_diffrn_reflns_limit_k_max       23
_diffrn_reflns_limit_k_min       -23
_diffrn_reflns_limit_l_max       19
_diffrn_reflns_limit_l_min       -20
_diffrn_reflns_number            17214
_diffrn_reflns_theta_full        27.41
_diffrn_reflns_theta_max         27.42
_diffrn_standards_number         0
_exptl_absorpt_coefficient_mu    0.785
_exptl_absorpt_correction_T_max  0.925
_exptl_absorpt_correction_T_min  0.554
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   'ABSCOR (Rigaku, 1995)'
_exptl_crystal_colour            purple
_exptl_crystal_density_diffrn    1.387
_exptl_crystal_description       block
_exptl_crystal_F_000             1532.00
_exptl_crystal_size_max          0.170
_exptl_crystal_size_mid          0.100
_exptl_crystal_size_min          0.050
_refine_diff_density_max         0.560
_refine_diff_density_min         -0.750
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.073
_refine_ls_hydrogen_treatment    constr
_refine_ls_number_parameters     132
_refine_ls_number_reflns         2224
_refine_ls_number_restraints     0
_refine_ls_R_factor_gt           0.0618
_refine_ls_shift/su_max          0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'w = 1/[\s^2^(Fo^2^)+(0.0974P)^2^+3.0374P] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_ref         0.1796
_reflns_number_gt                1579
_reflns_number_total             2224
_reflns_threshold_expression     F^2^>2.0\s(F^2^)
_cod_data_source_file            ic400276c_si_004.cif
_cod_data_source_block           110204-(1+2)H2O-Actn-dry
_cod_original_cell_volume        3612.1(6)
_cod_database_code               4334891