Hydrothermal synthesis and characterization of a new layered zinc phosphate intercalated with fully-protonated triethylenetetramine [Zn2(HPO4)3]2−[(C6N4H22)0.5]2+
Liu, Wang; Liu, Yunling; Shi, Zhan; Pang, Wenqin; Journal of Materials Chemistry 10 (2000) 1451–; doi:10.1039/b000658k

data_7203964
_publ_section_title
;
 Hydrothermal synthesis and characterization of a new layered zinc
 phosphate intercalated with fully-protonated triethylenetetramine
 [Zn2(HPO4)3]2&#x2212;[(C6N4H22)0.5]2+
;
_journal_issue                   6
_journal_name_full               'Journal of Materials Chemistry'
_journal_page_first              1451
_journal_paper_doi               10.1039/b000658k
_journal_volume                  10
_journal_year                    2000
_chemical_formula_sum            'C3 H14 N2 O12 P3 Zn2'
_chemical_formula_weight         493.81
_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                98.723(2)
_cell_angle_beta                 101.258(2)
_cell_angle_gamma                115.785(2)
_cell_formula_units_Z            2
_cell_length_a                   7.4876(8)
_cell_length_b                   8.2336(8)
_cell_length_c                   12.8592(13)
_cell_measurement_temperature    293(2)
_cell_volume                     674.51(12)
_computing_cell_refinement       'Bruker SMART'
_computing_data_collection       'Bruker SMART'
_computing_data_reduction        'Bruker SAINT'
_computing_molecular_graphics    SHELXP-97
_computing_publication_material  SHELXTL
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 1997)'
_computing_structure_solution    'SHELXS-97 (Sheldrick, 1990)'
_diffrn_ambient_temperature      293(2)
_diffrn_measured_fraction_theta_full 0.994
_diffrn_measured_fraction_theta_max 0.994
_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  0.1669
_diffrn_reflns_av_sigmaI/netI    0.1152
_diffrn_reflns_limit_h_max       8
_diffrn_reflns_limit_h_min       -8
_diffrn_reflns_limit_k_max       8
_diffrn_reflns_limit_k_min       -9
_diffrn_reflns_limit_l_max       14
_diffrn_reflns_limit_l_min       -14
_diffrn_reflns_number            3323
_diffrn_reflns_theta_full        23.26
_diffrn_reflns_theta_max         23.26
_diffrn_reflns_theta_min         1.68
_exptl_absorpt_coefficient_mu    3.980
_exptl_absorpt_correction_T_max  0.8899
_exptl_absorpt_correction_T_min  0.5033
_exptl_crystal_density_diffrn    2.431
_exptl_crystal_density_method    'not measured'
_exptl_crystal_F_000             494
_exptl_crystal_size_max          0.20
_exptl_crystal_size_mid          0.05
_exptl_crystal_size_min          0.03
_refine_diff_density_max         1.894
_refine_diff_density_min         -1.182
_refine_diff_density_rms         0.256
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.084
_refine_ls_hydrogen_treatment    mixed
_refine_ls_matrix_type           full
_refine_ls_number_parameters     199
_refine_ls_number_reflns         1928
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      1.084
_refine_ls_R_factor_all          0.0627
_refine_ls_R_factor_gt           0.0596
_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^)+(0.1079P)^2^+0.0000P] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1521
_refine_ls_wR_factor_ref         0.1548
_reflns_number_gt                1764
_reflns_number_total             1928
_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            b000658k.txt
_cod_data_source_block           p-1
_cod_original_sg_symbol_H-M      P-1
_cod_database_code               7203964