Selective separation of larger molecules from a Lewis-base mixture by flexible one-dimensional Cu(ii) coordination polymer with shape-recognizing space
Noro, Shin-ichiro; Akutagawa, Tomoyuki; Nakamura, Takayoshi; Chemical Communications 46 (2010) 3134–3136; doi:10.1039/b924181g

data_7105491
_publ_section_title
;
 Selective separation of larger molecules from a Lewis-base mixture by
 flexible one-dimensional Cu(ii) coordination polymer with
 shape-recognizing space
;
_journal_issue                   18
_journal_name_full               'Chemical Communications'
_journal_page_first              3134
_journal_page_last               3136
_journal_paper_doi               10.1039/b924181g
_journal_volume                  46
_journal_year                    2010
_chemical_formula_moiety         'C50 H48 Cu F12 N4 O2 P2 '
_chemical_formula_sum            'C50 H48 Cu F12 N4 O2 P2'
_chemical_formula_weight         1090.43
_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                 99.9454(13)
_cell_angle_gamma                90.0000
_cell_formula_units_Z            4
_cell_length_a                   16.8048(8)
_cell_length_b                   16.1422(7)
_cell_length_c                   18.8487(9)
_cell_measurement_reflns_used    21245
_cell_measurement_temperature    173.1
_cell_measurement_theta_max      27.5
_cell_measurement_theta_min      3.0
_cell_volume                     5036.2(4)
_computing_cell_refinement       PROCESS-AUTO
_computing_data_collection       PROCESS-AUTO
_computing_data_reduction        CrystalStructure
_computing_publication_material  'CrystalStructure 3.8'
_computing_structure_refinement  CRYSTALS
_computing_structure_solution    SIR2002
_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
_diffrn_reflns_av_R_equivalents  0.100
_diffrn_reflns_limit_h_max       20
_diffrn_reflns_limit_h_min       -21
_diffrn_reflns_limit_k_max       20
_diffrn_reflns_limit_k_min       -20
_diffrn_reflns_limit_l_max       24
_diffrn_reflns_limit_l_min       -24
_diffrn_reflns_number            47931
_diffrn_reflns_theta_full        27.46
_diffrn_reflns_theta_max         27.46
_exptl_absorpt_coefficient_mu    0.585
_exptl_absorpt_correction_T_max  0.966
_exptl_absorpt_correction_T_min  0.647
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details
;
Higashi, T. (1995). Program for Absorption Correction.
Rigaku Corporation, Tokyo, Japan.
;
_exptl_crystal_colour            blue
_exptl_crystal_density_diffrn    1.438
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       prism
_exptl_crystal_F_000             2236.00
_exptl_crystal_size_max          0.30
_exptl_crystal_size_mid          0.16
_exptl_crystal_size_min          0.06
_refine_diff_density_max         1.30
_refine_diff_density_min         -0.76
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.189
_refine_ls_hydrogen_treatment    refall
_refine_ls_number_parameters     688
_refine_ls_number_reflns         3993
_refine_ls_R_factor_gt           0.0693
_refine_ls_shift/su_max          0.0050
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
;
Chebychev polynomial with 3 parameters (Carruthers & Watkin, 1979)
8771.2300 12208.1000 3759.7600
;
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_ref         0.1084
_reflns_number_gt                3950
_reflns_number_total             11480
_reflns_threshold_expression     F^2^>2.0\s(F^2^)
_cod_data_source_file            b924181g.txt
_cod_data_source_block           061027test
_cod_original_formula_sum        'C50 H48 Cu F12 N4 O2 P2 '
_cod_database_code               7105491