Synthesis of two new aluminophosphate based layered materials using Tet-A as a structure-directing agent
Wheatley, Paul S.; Love, Christopher J.; Morrison, John J.; Shannon, Ian J.; Morris, Russell E.; Journal of Materials Chemistry 12 (2002) 477–; doi:10.1039/b106005h

data_7204207
_publ_section_title
;
 Synthesis of two new aluminophosphate based layered materials using
 Tet-A as a structure-directing agent
;
_journal_issue                   3
_journal_name_full               'Journal of Materials Chemistry'
_journal_page_first              477
_journal_paper_doi               10.1039/b106005h
_journal_volume                  12
_journal_year                    2002
_chemical_formula_sum            'C32 H80 Al4 Co N8 O26 P6'
_chemical_formula_weight         1345.71
_space_group_IT_number           2
_symmetry_cell_setting           triclinic
_symmetry_Int_Tables_number      2
_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_conform_dict_location     ftp://ftp.iucr.org/pub/cif_core.dic
_audit_conform_dict_name         cif_core.dic
_audit_conform_dict_version      2.2
_audit_creation_date             2001-10-17T14:45:12-00:00
_audit_creation_method           'WinGX routine CIF_UPDATE'
_cell_angle_alpha                85.372(2)
_cell_angle_beta                 75.818(2)
_cell_angle_gamma                89.362(2)
_cell_formula_units_Z            1
_cell_length_a                   9.4614(8)
_cell_length_b                   11.7168(10)
_cell_length_c                   13.6647(12)
_cell_measurement_temperature    150(2)
_cell_volume                     1463.8(2)
_computing_cell_refinement       SAINT
_computing_data_collection       'Bruker SMART'
_computing_data_reduction        SAINT
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 1997)'
_computing_structure_solution    'SHELXS-97 (Sheldrick, 1997)'
_diffrn_ambient_temperature      150(2)
_diffrn_measured_fraction_theta_full 0.821
_diffrn_measured_fraction_theta_max 0.821
_diffrn_measurement_device_type  'SMART CCD'
_diffrn_radiation_monochromator  'silicon (111)'
_diffrn_radiation_type           'Monochromated X-ray synchrotron radiation'
_diffrn_radiation_wavelength     0.6892
_diffrn_reflns_av_R_equivalents  0.0779
_diffrn_reflns_av_unetI/netI     0.0629
_diffrn_reflns_limit_h_max       13
_diffrn_reflns_limit_h_min       -13
_diffrn_reflns_limit_k_max       16
_diffrn_reflns_limit_k_min       -16
_diffrn_reflns_limit_l_max       18
_diffrn_reflns_limit_l_min       -19
_diffrn_reflns_number            11980
_diffrn_reflns_theta_full        29.45
_diffrn_reflns_theta_max         29.45
_diffrn_reflns_theta_min         2.15
_exptl_absorpt_coefficient_mu    0.5
_exptl_absorpt_correction_type   none
_exptl_crystal_colour            'pale blue'
_exptl_crystal_density_diffrn    1.527
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       prism
_exptl_crystal_F_000             705
_exptl_crystal_size_max          0.05
_exptl_crystal_size_mid          0.03
_exptl_crystal_size_min          0.02
_refine_diff_density_max         2.363
_refine_diff_density_min         -1.341
_refine_diff_density_rms         0.175
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.088
_refine_ls_hydrogen_treatment    mixed
_refine_ls_matrix_type           full
_refine_ls_number_parameters     349
_refine_ls_number_reflns         7315
_refine_ls_number_restraints     31
_refine_ls_restrained_S_all      1.09
_refine_ls_R_factor_all          0.0969
_refine_ls_R_factor_gt           0.0878
_refine_ls_shift/su_max          0
_refine_ls_shift/su_mean         0
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'calc w=1/[\s^2^(Fo^2^)+(0.1381P)^2^+6.2164P] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.2397
_refine_ls_wR_factor_ref         0.2518
_reflns_number_gt                6356
_reflns_number_total             7315
_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            b106005h.txt
_cod_data_source_block           Co,TetA-AlPO-2
_cod_database_code               7204207