A Cryptand-Type Aluminum Tris(salophen) Complex: Synthesis, Characterization, and Cell Imaging Application
Yin, H.-Y.; Lai, J.; Tang, J.; Shang, Y.; Zhang, J.-L.; Inorganics 6 (2018) 20–; doi:10.3390/inorganics6010020

data_1556582
_publ_section_title
;
 A Cryptand-Type Aluminum Tris(salophen) Complex: Synthesis,
 Characterization, and Cell Imaging Application
;
_journal_name_full               Inorganics
_journal_page_first              20
_journal_paper_doi               10.3390/inorganics6010020
_journal_volume                  6
_journal_year                    2018
_chemical_formula_sum            'C65 H47 Al3 F3 N6 O9'
_chemical_formula_weight         1194.02
_space_group_crystal_system      triclinic
_space_group_IT_number           2
_space_group_name_Hall           '-P 1'
_space_group_name_H-M_alt        'P -1'
_atom_sites_solution_hydrogens   geom
_cell_angle_alpha                65.028(6)
_cell_angle_beta                 87.853(7)
_cell_angle_gamma                89.408(7)
_cell_formula_units_Z            2
_cell_length_a                   13.060(6)
_cell_length_b                   19.920(10)
_cell_length_c                   21.490(11)
_cell_measurement_reflns_used    4690
_cell_measurement_temperature    296(2)
_cell_measurement_theta_max      24.36
_cell_measurement_theta_min      2.26
_cell_volume                     5064(4)
_computing_structure_refinement  'SHELXL-2014/7 (Sheldrick, 2014)'
_diffrn_ambient_temperature      296(2)
_diffrn_measured_fraction_theta_full 0.979
_diffrn_measured_fraction_theta_max 0.979
_diffrn_measurement_device_type  'Bruker APEX-II CCD'
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_reflns_av_R_equivalents  0.0424
_diffrn_reflns_av_unetI/netI     0.0978
_diffrn_reflns_Laue_measured_fraction_full 0.979
_diffrn_reflns_Laue_measured_fraction_max 0.979
_diffrn_reflns_limit_h_max       8
_diffrn_reflns_limit_h_min       -15
_diffrn_reflns_limit_k_max       23
_diffrn_reflns_limit_k_min       -22
_diffrn_reflns_limit_l_max       24
_diffrn_reflns_limit_l_min       -25
_diffrn_reflns_number            26408
_diffrn_reflns_point_group_measured_fraction_full 0.979
_diffrn_reflns_point_group_measured_fraction_max 0.979
_diffrn_reflns_theta_full        24.858
_diffrn_reflns_theta_max         24.858
_diffrn_reflns_theta_min         1.834
_exptl_absorpt_coefficient_mu    0.080
_exptl_absorpt_correction_T_max  0.9824
_exptl_absorpt_correction_T_min  0.9635
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   SADABS
_exptl_crystal_colour            yellow
_exptl_crystal_density_diffrn    0.783
_exptl_crystal_description       block
_exptl_crystal_F_000             1234
_exptl_crystal_size_max          0.42
_exptl_crystal_size_mid          0.4
_exptl_crystal_size_min          0.2
_refine_diff_density_max         0.460
_refine_diff_density_min         -0.292
_refine_diff_density_rms         0.051
_refine_ls_extinction_coef       .
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.014
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     778
_refine_ls_number_reflns         17212
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      1.014
_refine_ls_R_factor_all          0.0991
_refine_ls_R_factor_gt           0.0556
_refine_ls_shift/su_max          0.000
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'w=1/[\s^2^(Fo^2^)+(0.0770P)^2^] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1471
_refine_ls_wR_factor_ref         0.1635
_reflns_Friedel_coverage         0.000
_reflns_Friedel_fraction_full    .
_reflns_Friedel_fraction_max     .
_reflns_number_gt                9858
_reflns_number_total             17212
_reflns_threshold_expression     'I > 2\s(I)'
_cod_data_source_file            Inorganics-2018-6-20.cif
_cod_data_source_block           5
_cod_database_code               1556582
_shelx_res_checksum              13358
_shelx_hkl_checksum              47704
_shelx_fab_checksum              47298