Azamacrocycles and the azaoxacryptand 4,7,13,16,21,24-hexaoxa-1,10-diazabicyclo[8.8.8]hexacosane as structure-directing agents in the synthesis of microporous metalloaluminophosphates
Maple, Martin J.; Philp, Eilidh F.; Slawin, Alexandra M. Z.; Lightfoot, Philip; Cox, Paul A.; Wright, Paul A.; Journal of Materials Chemistry 11 (2001) 98–104; doi:10.1039/b003430o

data_7203983
_publ_section_title
;
 Azamacrocycles and the azaoxacryptand
 4,7,13,16,21,24-hexaoxa-1,10-diazabicyclo[8.8.8]hexacosane as
 structure-directing agents in the synthesis of microporous
 metalloaluminophosphates
;
_journal_coden_ASTM              JMACEP
_journal_issue                   1
_journal_name_full               'Journal of Materials Chemistry'
_journal_page_first              98
_journal_page_last               104
_journal_paper_doi               10.1039/b003430o
_journal_volume                  11
_journal_year                    2001
_chemical_formula_sum            'C1.05 Al N0.35 O4 P'
_chemical_formula_weight         139.47
_space_group_crystal_system      monoclinic
_space_group_IT_number           15
_space_group_name_Hall           '-C 2yc'
_space_group_name_H-M_alt        'C 1 2/c 1'
_audit_creation_date             'Wed Apr 20 16:14:42 2000'
_audit_creation_method           'from TEXRAY.INF file'
_cell_angle_alpha                90
_cell_angle_beta                 89.959(7)
_cell_angle_gamma                90
_cell_formula_units_Z            24
_cell_length_a                   13.795(3)
_cell_length_b                   12.830(3)
_cell_length_c                   18.815(5)
_cell_measurement_reflns_used    0
_cell_measurement_temperature    150
_cell_measurement_theta_max      0.0
_cell_measurement_theta_min      0.0
_cell_volume                     3330.1(14)
_computing_cell_refinement       'LS refinement (W.Clegg)'
_computing_data_collection       'Bruker SMART'
_computing_data_reduction        teXsan
_computing_publication_material  teXsan
_computing_structure_refinement  teXsan
_diffrn_measurement_device       'SMART CCD'
_diffrn_measurement_method       'omega scans with profile analysis'
_diffrn_orient_matrix_UB_11      0.00000
_diffrn_orient_matrix_UB_12      0.00000
_diffrn_orient_matrix_UB_13      0.00000
_diffrn_orient_matrix_UB_21      0.00000
_diffrn_orient_matrix_UB_22      0.00000
_diffrn_orient_matrix_UB_23      0.00000
_diffrn_orient_matrix_UB_31      0.00000
_diffrn_orient_matrix_UB_32      0.00000
_diffrn_orient_matrix_UB_33      0.00000
_diffrn_radiation_monochromator  graphite
_diffrn_radiation_source         synchrotron
_diffrn_radiation_type           'Monochromated X-ray synchrotron radiation'
_diffrn_radiation_wavelength     0.6942
_diffrn_reflns_av_R_equivalents  4.99
_diffrn_reflns_limit_h_max       19
_diffrn_reflns_limit_h_min       -9
_diffrn_reflns_limit_k_max       17
_diffrn_reflns_limit_k_min       -16
_diffrn_reflns_limit_l_max       25
_diffrn_reflns_limit_l_min       -24
_diffrn_reflns_number            11252
_diffrn_reflns_theta_max         29.86
_diffrn_standards_decay_%        0.00
_diffrn_standards_interval_count 0
_diffrn_standards_number         0
_exptl_absorpt_coefficient_mu    0.567
_exptl_absorpt_correction_type   none
_exptl_crystal_colour            colourless
_exptl_crystal_density_diffrn    1.669
_exptl_crystal_description       prism
_exptl_crystal_F_000             1650.00
_exptl_crystal_size_max          0.060
_exptl_crystal_size_mid          0.040
_exptl_crystal_size_min          0.035
_refine_diff_density_max         2.06
_refine_diff_density_min         -1.22
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_obs   3.344
_refine_ls_matrix_type           full
_refine_ls_number_parameters     164
_refine_ls_number_reflns         2535
_refine_ls_number_restraints     0
_refine_ls_R_factor_obs          0.0837
_refine_ls_shift/esd_max         0.0000
_refine_ls_structure_factor_coef F
_refine_ls_weighting_scheme      sigma
_refine_ls_wR_factor_obs         0.1056
_reflns_number_observed          2535
_reflns_number_total             4501
_reflns_observed_criterion       3.00
_cod_data_source_file            b003430o.txt
_cod_data_source_block           MgAlPO-18
_cod_depositor_comments
;
The following automatic conversions were performed:

'_atom_site_thermal_displace_type' tag value 'Uij' was replaced with
'Uani' value 30 times.

Automatic conversion script
Id: cif_fix_values 1646 2011-03-28 12:23:43Z adriana 
;
_cod_original_cell_volume        3330(1)
_cod_original_sg_symbol_H-M      'C 2/c      '
_cod_original_formula_sum        'C1.05 Al N0.35 O4 P '
_cod_database_code               7203983
_diffrn_temperature              150