An unprecedented nanoporous and fluorescent supramolecular framework with an SrAl2 topology controllably synthesized from a flexible ditopic acid.
Wang, Su-Na; Yang, Yong; Bai, Junfeng; Li, Yi-Zhi; Scheer, Manfred; Pan, Yi; You, Xiao-Zeng; Chemical communications (Cambridge, England)  (2007) 4416–4418; doi:10.1039/b710389a

data_7102240
_publ_section_title
;
 An unprecedented nanoporous and fluorescent supramolecular framework
 with an SrAl2 topology controllably synthesized from a flexible
 ditopic acid.
;
_journal_issue                   42
_journal_name_full
'Chemical communications (Cambridge, England)'
_journal_page_first              4416
_journal_page_last               4418
_journal_paper_doi               10.1039/b710389a
_journal_year                    2007
_chemical_formula_moiety
'C20 H22 Ca O14, H1.20 O0.60, 2(H2 O), 0.8(H2 O), 0.6(H2 O)'
_chemical_formula_sum            'C20 H30 Ca O18'
_chemical_formula_weight         598.52
_chemical_name_systematic
;
?
;
_space_group_IT_number           15
_symmetry_cell_setting           monoclinic
_symmetry_space_group_name_Hall  '-C 2yc'
_symmetry_space_group_name_H-M   'C 1 2/c 1'
_atom_sites_solution_hydrogens   geom
_atom_sites_solution_primary     direct
_atom_sites_solution_secondary   difmap
_audit_creation_method           SHELXL-97
_cell_angle_alpha                90.00
_cell_angle_beta                 97.557(5)
_cell_angle_gamma                90.00
_cell_formula_units_Z            4
_cell_length_a                   28.071(5)
_cell_length_b                   17.472(5)
_cell_length_c                   6.2294(13)
_cell_measurement_reflns_used    1100
_cell_measurement_temperature    298(2)
_cell_measurement_theta_max      21.89
_cell_measurement_theta_min      2.75
_cell_volume                     3028.7(12)
_computing_cell_refinement       SMART
_computing_data_collection       'SMART (Bruker, 2000)'
_computing_data_reduction        'SAINT (Bruker, 2000)'
_computing_molecular_graphics    SHELXTL
_computing_publication_material  SHELXTL
_computing_structure_refinement  SHELXTL
_computing_structure_solution    'SHELXTL (Bruker, 2000)'
_diffrn_ambient_temperature      298(2)
_diffrn_measured_fraction_theta_full 0.993
_diffrn_measured_fraction_theta_max 0.993
_diffrn_measurement_device_type  'Bruker Smart Apex CCD'
_diffrn_measurement_method       'phi and omega scans'
_diffrn_radiation_monochromator  graphite
_diffrn_radiation_source         'fine-focus sealed tube'
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_reflns_av_R_equivalents  0.0412
_diffrn_reflns_av_sigmaI/netI    0.0525
_diffrn_reflns_limit_h_max       34
_diffrn_reflns_limit_h_min       -22
_diffrn_reflns_limit_k_max       21
_diffrn_reflns_limit_k_min       -21
_diffrn_reflns_limit_l_max       7
_diffrn_reflns_limit_l_min       -7
_diffrn_reflns_number            8086
_diffrn_reflns_theta_full        26.00
_diffrn_reflns_theta_max         26.00
_diffrn_reflns_theta_min         2.33
_exptl_absorpt_coefficient_mu    0.280
_exptl_absorpt_correction_T_max  0.9377
_exptl_absorpt_correction_T_min  0.9172
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   '(SADABS; Bruker, 2000)'
_exptl_crystal_colour            colorless
_exptl_crystal_density_diffrn    1.313
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       block
_exptl_crystal_F_000             1256
_exptl_crystal_size_max          0.32
_exptl_crystal_size_mid          0.26
_exptl_crystal_size_min          0.24
_refine_diff_density_max         0.204
_refine_diff_density_min         -0.465
_refine_diff_density_rms         0.054
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.069
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     192
_refine_ls_number_reflns         2961
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      1.069
_refine_ls_R_factor_all          0.0834
_refine_ls_R_factor_gt           0.0597
_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^)+(0.0739P)^2^+1.4893P] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1375
_refine_ls_wR_factor_ref         0.1452
_reflns_number_gt                2262
_reflns_number_total             2961
_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            b710389a.txt
_cod_data_source_block           250919b
_cod_original_sg_symbol_H-M      'C 2/c'
_cod_database_code               7102240