A mixed lithium‒strontium polynuclear complex formed within the hexa-deprotonated calix[8]arene framework; the synthesis and structure of Li4Sr2(H2L)(O2CC4H9)2(dmf )8 [H8L = p-Pri- or p-Bui-calix[8]arene] †
Clague, Nicholas P.; Crane, Jonathan D.; Moreton, David J.; Sinn, Ekkehard; Teat, Simon J.; Young, Nigel A.; Journal of the Chemical Society, Dalton Transactions  (1999) 3535–; doi:10.1039/a906694b

data_7027776
_publ_section_title
;
 A mixed lithium--strontium polynuclear complex formed within the
 hexa-deprotonated calix[8]arene framework; the synthesis and structure of
 Li4Sr2(H2L)(O2CC4H9)2(dmf&#x200A;)8 [H8L&#x2005;=&#x2005;p-Pri- or
 p-Bui-calix[8]arene]&#x200A;&#x2020;
;
_journal_issue                   20
_journal_name_full
'Journal of the Chemical Society, Dalton Transactions'
_journal_page_first              3535
_journal_paper_doi               10.1039/a906694b
_journal_year                    1999
_chemical_formula_sum            'C114 H162 Li4 N8 O20 Sr2'
_chemical_formula_weight         2167.52
_chemical_name_systematic
;
 ?
;
_space_group_IT_number           2
_symmetry_cell_setting           triclinic
_symmetry_space_group_name_Hall  '-P 1'
_symmetry_space_group_name_H-M   'P -1'
_atom_sites_solution_hydrogens   geom
_atom_sites_solution_primary     direct
_atom_sites_solution_secondary   difmap
_audit_creation_method           SHELXL-97
_cell_angle_alpha                76.844(5)
_cell_angle_beta                 86.659(6)
_cell_angle_gamma                84.660(6)
_cell_formula_units_Z            1
_cell_length_a                   13.079(2)
_cell_length_b                   15.190(3)
_cell_length_c                   16.187(3)
_cell_measurement_reflns_used    13531
_cell_measurement_temperature    160(2)
_cell_measurement_theta_max      27.25
_cell_measurement_theta_min      1.33
_cell_volume                     3115.6(10)
_computing_cell_refinement       'local programs'
_computing_data_collection       'Siemens SMART'
_computing_data_reduction        'Siemens SAINT'
_computing_molecular_graphics    'Siemens SHELXTL'
_computing_publication_material  'SHELXTL and local programs'
_computing_structure_refinement  'Siemens SHELXTL'
_computing_structure_solution    'Siemens SHELXTL'
_diffrn_ambient_temperature      160(2)
_diffrn_measured_fraction_theta_full 0.993
_diffrn_measured_fraction_theta_max 0.993
_diffrn_measurement_device_type  'Siemens SMART CCD diffractometer'
_diffrn_measurement_method       '\w rotation with narrow frames'
_diffrn_radiation_monochromator  'Silicon 111'
_diffrn_radiation_source         'Daresbury SRS Station 9.8'
_diffrn_radiation_type           Synchrotron
_diffrn_radiation_wavelength     0.68750
_diffrn_reflns_av_R_equivalents  0.0534
_diffrn_reflns_av_sigmaI/netI    0.0958
_diffrn_reflns_limit_h_max       14
_diffrn_reflns_limit_h_min       -14
_diffrn_reflns_limit_k_max       14
_diffrn_reflns_limit_k_min       -16
_diffrn_reflns_limit_l_max       18
_diffrn_reflns_limit_l_min       -14
_diffrn_reflns_number            14144
_diffrn_reflns_theta_full        22.50
_diffrn_reflns_theta_max         22.50
_diffrn_reflns_theta_min         1.61
_diffrn_standards_decay_%        10
_diffrn_standards_number         0
_exptl_absorpt_coefficient_mu    0.919
_exptl_absorpt_correction_T_max  0.94
_exptl_absorpt_correction_T_min  0.91
_exptl_absorpt_correction_type   multiscans
_exptl_crystal_colour            colourless
_exptl_crystal_density_diffrn    1.155
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       block
_exptl_crystal_F_000             1150
_exptl_crystal_size_max          0.10
_exptl_crystal_size_mid          0.10
_exptl_crystal_size_min          0.07
_refine_diff_density_max         1.882
_refine_diff_density_min         -0.902
_refine_diff_density_rms         0.134
_refine_ls_extinction_coef       0.017(3)
_refine_ls_extinction_expression Fc^*^=kFc[1+0.001xFc^2^\l^3^/sin(2\q)]^-1/4^
_refine_ls_extinction_method     SHELXL
_refine_ls_goodness_of_fit_ref   1.047
_refine_ls_hydrogen_treatment    mixed
_refine_ls_matrix_type           full
_refine_ls_number_parameters     724
_refine_ls_number_reflns         8941
_refine_ls_number_restraints     225
_refine_ls_restrained_S_all      1.042
_refine_ls_R_factor_all          0.1048
_refine_ls_R_factor_gt           0.0897
_refine_ls_shift/su_max          0.004
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'calc w=1/[\s^2^(Fo^2^)+(0.2000P)^2^+0.0000P] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.2483
_refine_ls_wR_factor_ref         0.2795
_reflns_number_gt                6827
_reflns_number_total             8941
_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            906694bsup1.cif
_cod_data_source_block           hull20
_cod_original_cell_volume        3115.8(9)
_cod_original_sg_symbol_H-M      P-1
_cod_database_code               7027776