Specific cooperative effect of a macrocyclic receptor for metal ion transfer into an ionic liquid.
Okamura, Hiroyuki; Ikeda-Ohno, Atsushi; Saito, Takumi; Aoyagi, Noboru; Naganawa, Hirochika; Hirayama, Naoki; Umetani, Shigeo; Imura, Hisanori; Shimojo, Kojiro; Analytical chemistry 84 (2012) 9332–9339; doi:10.1021/ac302015h

data_1508504
_publ_section_title
;
 Specific cooperative effect of a macrocyclic receptor for metal ion
 transfer into an ionic liquid.
;
_journal_issue                   21
_journal_name_full               'Analytical chemistry'
_journal_page_first              9332
_journal_page_last               9339
_journal_paper_doi               10.1021/ac302015h
_journal_volume                  84
_journal_year                    2012
_chemical_formula_moiety         'C38 H52 N6 O9 S Sr '
_chemical_formula_sum            'C38 H52 N6 O9 S Sr'
_chemical_formula_weight         856.54
_space_group_IT_number           4
_symmetry_cell_setting           monoclinic
_symmetry_Int_Tables_number      4
_symmetry_space_group_name_Hall  'P 2yb'
_symmetry_space_group_name_H-M   'P 1 21 1'
_cell_angle_alpha                90.0000
_cell_angle_beta                 90.264(4)
_cell_angle_gamma                90.0000
_cell_formula_units_Z            4
_cell_length_a                   12.579(3)
_cell_length_b                   14.599(3)
_cell_length_c                   22.498(5)
_cell_measurement_reflns_used    6254
_cell_measurement_temperature    293.1
_cell_measurement_theta_max      27.4
_cell_measurement_theta_min      3.1
_cell_volume                     4131.5(16)
_computing_cell_refinement       CrystalClear
_computing_data_collection       CrystalClear
_computing_data_reduction        CrystalStructure
_computing_publication_material  'CrystalStructure 3.8'
_computing_structure_refinement  CRYSTALS
_computing_structure_solution    SIR92
_diffrn_detector_area_resol_mean 7.31
_diffrn_measured_fraction_theta_full 0.960
_diffrn_measured_fraction_theta_max 0.960
_diffrn_measurement_device_type  'Rigaku Saturn'
_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       16
_diffrn_reflns_limit_h_min       -16
_diffrn_reflns_limit_k_max       12
_diffrn_reflns_limit_k_min       -18
_diffrn_reflns_limit_l_max       28
_diffrn_reflns_limit_l_min       -29
_diffrn_reflns_number            32377
_diffrn_reflns_theta_full        27.38
_diffrn_reflns_theta_max         27.38
_exptl_absorpt_coefficient_mu    1.424
_exptl_absorpt_correction_T_max  0.909
_exptl_absorpt_correction_T_min  0.873
_exptl_absorpt_correction_type   numerical
_exptl_absorpt_process_details
;
    Higashi, T. (1999). Program for Absorption Correction.
    Rigaku Corporation, Tokyo, Japan.
;
_exptl_crystal_colour            colorless
_exptl_crystal_density_diffrn    1.376
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       prism
_exptl_crystal_F_000             1916.00
_exptl_crystal_size_max          0.11
_exptl_crystal_size_mid          0.10
_exptl_crystal_size_min          0.07
_refine_diff_density_max         2.51
_refine_diff_density_min         -3.42
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.063
_refine_ls_hydrogen_treatment    refall
_refine_ls_number_parameters     1089
_refine_ls_number_reflns         4486
_refine_ls_R_factor_gt           0.1018
_refine_ls_shift/su_max          1.1540
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'w = 1/[0.0128Fo^2^ + 1.0000\s(Fo^2^)]/(4Fo^2^)'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_ref         0.2740
_reflns_number_gt                4401
_reflns_number_total             13535
_reflns_threshold_expression     F^2^>2.0\s(F^2^)
_cod_data_source_file            ac302015h_si_002.cif
_cod_data_source_block           '__Sr-Crowm_100210'
_cod_original_formula_sum        'C38 H52 N6 O9 S Sr '
_cod_database_code               1508504