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_7219267
_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_formula_sum            'C62.6 H69.9 Cl Co4 N1.3 O12 S4'
_chemical_formula_weight         1404.89
_chemical_name_systematic
; 
 ? 
;
_space_group_IT_number           64
_symmetry_cell_setting           orthorhombic
_symmetry_space_group_name_Hall  '-C 2ac 2'
_symmetry_space_group_name_H-M   'C m c a'
_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                 90.00
_cell_angle_gamma                90.00
_cell_formula_units_Z            8
_cell_length_a                   15.1811(6)
_cell_length_b                   20.4878(9)
_cell_length_c                   39.3306(11)
_cell_measurement_temperature    100(2)
_cell_volume                     12232.9(8)
_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 0.991
_diffrn_measured_fraction_theta_max 0.991
_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  0.0327
_diffrn_reflns_av_sigmaI/netI    0.0366
_diffrn_reflns_limit_h_max       14
_diffrn_reflns_limit_h_min       -18
_diffrn_reflns_limit_k_max       14
_diffrn_reflns_limit_k_min       -24
_diffrn_reflns_limit_l_max       47
_diffrn_reflns_limit_l_min       -33
_diffrn_reflns_number            14874
_diffrn_reflns_theta_full        69.99
_diffrn_reflns_theta_max         69.99
_diffrn_reflns_theta_min         3.79
_diffrn_standards_number         15591
_exptl_absorpt_coefficient_mu    10.545
_exptl_absorpt_correction_T_max  0.3643
_exptl_absorpt_correction_T_min  0.3007
_exptl_absorpt_correction_type   multi-scan
_exptl_crystal_colour            red
_exptl_crystal_density_diffrn    1.526
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       block
_exptl_crystal_F_000             5702
_exptl_crystal_size_max          0.15
_exptl_crystal_size_mid          0.15
_exptl_crystal_size_min          0.12
_refine_diff_density_max         0.835
_refine_diff_density_min         -0.580
_refine_diff_density_rms         0.105
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.065
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     528
_refine_ls_number_reflns         6003
_refine_ls_number_restraints     65
_refine_ls_restrained_S_all      1.071
_refine_ls_R_factor_all          0.1084
_refine_ls_R_factor_gt           0.0869
_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^)+(0.1105P)^2^+120.3567P] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.2359
_refine_ls_wR_factor_ref         0.2581
_reflns_number_gt                4587
_reflns_number_total             6003
_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            c4ce02186j2.cif
_cod_data_source_block           c:3
_cod_depositor_comments
'Adding full bibliography for 7219265--7219267.cif.'
_cod_original_sg_symbol_H-M      Cmca
_cod_original_formula_sum        'C62.60 H69.9 Cl Co4 N1.30 O12 S4'
_cod_database_code               7219267