Bridging different Co4‒calix[4]arene building blocks into grids, cages and 2D polymers with chiral camphoric acid
Su, Kongzhao; Jiang, Feilong; Qian, Jinjie; Pang, Jiandong; Hu, Falu; Bawaked, Salem M.; Mokhtar, Mohamed; Al-Thabaiti, Shaeel A.; Hong, Maochun; CrystEngComm 17 (2015) 1750–; doi:10.1039/C4CE02186J

data_7219266
_publ_section_title
;
 Bridging different Co4--calix[4]arene building blocks into grids, cages
 and 2D polymers with chiral camphoric acid
;
_journal_issue                   8
_journal_name_full               CrystEngComm
_journal_page_first              1750
_journal_paper_doi               10.1039/C4CE02186J
_journal_volume                  17
_journal_year                    2015
_chemical_absolute_configuration unk
_chemical_formula_sum            'C121 H168.5 Cl2 Co8 N2.5 O25.5 S8'
_chemical_formula_weight         2865.06
_chemical_name_systematic
; 
 ? 
;
_space_group_IT_number           5
_symmetry_cell_setting           monoclinic
_symmetry_space_group_name_Hall  'I 2y'
_symmetry_space_group_name_H-M   'I 1 2 1'
_atom_sites_solution_hydrogens   geom
_atom_sites_solution_primary     direct
_atom_sites_solution_secondary   difmap
_audit_creation_method           SHELXL-97
_audit_update_record
;
2014-12-04 deposited with the CCDC.
2015-01-12 downloaded from the CCDC.
;
_cell_angle_alpha                90.00
_cell_angle_beta                 89.317(5)
_cell_angle_gamma                90.00
_cell_formula_units_Z            2
_cell_length_a                   11.7307(6)
_cell_length_b                   21.7103(11)
_cell_length_c                   27.7720(13)
_cell_measurement_temperature    100(2)
_cell_volume                     7072.4(6)
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 1997)'
_computing_structure_solution    'SHELXS-97 (Sheldrick, 1990)'
_diffrn_ambient_temperature      100(2)
_diffrn_detector_area_resol_mean 10.5594
_diffrn_measured_fraction_theta_full 0.995
_diffrn_measured_fraction_theta_max 0.995
_diffrn_measurement_device_type  'SuperNova, Dual, Cu at zero, Atlas'
_diffrn_measurement_method       '\w scans'
_diffrn_radiation_monochromator  graphite
_diffrn_radiation_source         'fine-focus sealed tube'
_diffrn_radiation_type           CuK\a
_diffrn_radiation_wavelength     1.54184
_diffrn_reflns_av_R_equivalents  0.0645
_diffrn_reflns_av_sigmaI/netI    0.0931
_diffrn_reflns_limit_h_max       14
_diffrn_reflns_limit_h_min       -10
_diffrn_reflns_limit_k_max       26
_diffrn_reflns_limit_k_min       -26
_diffrn_reflns_limit_l_max       33
_diffrn_reflns_limit_l_min       -32
_diffrn_reflns_number            14590
_diffrn_reflns_theta_full        69.97
_diffrn_reflns_theta_max         69.97
_diffrn_reflns_theta_min         3.18
_diffrn_standards_number         14926
_exptl_absorpt_coefficient_mu    9.077
_exptl_absorpt_correction_T_max  0.4089
_exptl_absorpt_correction_T_min  0.3430
_exptl_absorpt_correction_type   multi-scan
_exptl_crystal_colour            red
_exptl_crystal_density_diffrn    1.345
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       block
_exptl_crystal_F_000             2988
_exptl_crystal_size_max          0.15
_exptl_crystal_size_mid          0.15
_exptl_crystal_size_min          0.12
_platon_squeeze_details
;
;
_refine_diff_density_max         1.076
_refine_diff_density_min         -0.618
_refine_diff_density_rms         0.131
_refine_ls_abs_structure_details 'Flack H D (1983), Acta Cryst. A39, 876-881'
_refine_ls_abs_structure_Flack   0.019(7)
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.093
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     739
_refine_ls_number_reflns         10287
_refine_ls_number_restraints     55
_refine_ls_restrained_S_all      1.095
_refine_ls_R_factor_all          0.0972
_refine_ls_R_factor_gt           0.0771
_refine_ls_shift/su_max          0.000
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'calc w=1/[\s^2^(Fo^2^)+(0.0979P)^2^+60.6683P] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.2223
_refine_ls_wR_factor_ref         0.2319
_reflns_number_gt                8019
_reflns_number_total             10287
_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            c4ce02186j2.cif
_cod_data_source_block           c:2
_cod_depositor_comments
'Adding full bibliography for 7219265--7219267.cif.'
_cod_original_sg_symbol_H-M      I2
_cod_database_code               7219266