[(CH3)2NH(CH2)2NH(CH3)2][(UO2)2F2(HPO4)2]: a new organically templated layered uranium phosphate fluoride‒synthesis, structure, characterization, and ion-exchange reactions.
Min Ok, Kang; Doran, Michael B.; O'Hare, Dermot; Dalton transactions (Cambridge, England : 2003)  (2007) 3325–3329; doi:10.1039/b705759h

data_7005822
_publ_section_title
;
 [(CH3)2NH(CH2)2NH(CH3)2][(UO2)2F2(HPO4)2]: a new organically templated
 layered uranium phosphate fluoride--synthesis, structure,
 characterization, and ion-exchange reactions.
;
_journal_issue                   30
_journal_name_full
'Dalton transactions (Cambridge, England : 2003)'
_journal_page_first              3325
_journal_page_last               3329
_journal_paper_doi               10.1039/b705759h
_journal_year                    2007
_chemical_formula_sum            'C3 H10 F N O6 P U'
_chemical_formula_weight         444.12
_chemical_name_common
;N,N,N',N'-Tetramethylethylenediammonium
Uranylphosphatefluoride
;
_chemical_name_systematic
;
N,N,N',N'-Tetramethylethylenediammonium Uranylphosphatefluoride
;
_space_group_IT_number           14
_symmetry_cell_setting           monoclinic
_symmetry_space_group_name_Hall  '-P 2ybc'
_symmetry_space_group_name_H-M   'P 1 21/c 1'
_atom_sites_solution_hydrogens   geom
_atom_sites_solution_primary     direct
_atom_sites_solution_secondary   difmap
_cell_angle_alpha                90
_cell_angle_beta                 98.62(3)
_cell_angle_gamma                90
_cell_formula_units_Z            4
_cell_length_a                   8.2189(16)
_cell_length_b                   12.760(3)
_cell_length_c                   8.6282(17)
_cell_measurement_temperature    150.0(2)
_cell_volume                     894.6(3)
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 1997)'
_diffrn_ambient_temperature      150.0(2)
_diffrn_measured_fraction_theta_full 0.991
_diffrn_measured_fraction_theta_max 0.991
_diffrn_measurement_device_type  KappaCCD
_diffrn_measurement_method       CCD
_diffrn_radiation_monochromator  graphite
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_reflns_av_R_equivalents  0.0273
_diffrn_reflns_av_unetI/netI     0.0426
_diffrn_reflns_limit_h_max       10
_diffrn_reflns_limit_h_min       -10
_diffrn_reflns_limit_k_max       14
_diffrn_reflns_limit_k_min       -16
_diffrn_reflns_limit_l_max       11
_diffrn_reflns_limit_l_min       -11
_diffrn_reflns_number            3634
_diffrn_reflns_theta_full        27.46
_diffrn_reflns_theta_max         27.46
_diffrn_reflns_theta_min         5.27
_exptl_absorpt_coefficient_mu    18.339
_exptl_absorpt_correction_T_max  0.23
_exptl_absorpt_correction_T_min  0.08
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details
;
Denzo/Scalepack (Otwinowski & Minor, 1996)
;
_exptl_crystal_colour            Yellow
_exptl_crystal_density_diffrn    3.297
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       Block
_exptl_crystal_F_000             796
_exptl_crystal_size_max          0.24
_exptl_crystal_size_mid          0.12
_exptl_crystal_size_min          0.08
_refine_diff_density_max         2.57
_refine_diff_density_min         -1.679
_refine_diff_density_rms         0.229
_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   1.063
_refine_ls_matrix_type           full
_refine_ls_number_parameters     128
_refine_ls_number_reflns         2031
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      1.063
_refine_ls_R_factor_all          0.0289
_refine_ls_R_factor_gt           0.0237
_refine_ls_shift/su_max          0.001
_refine_ls_shift/su_mean         0
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'calc w=1/[\s^2^(Fo^2^)+(0.0198P)^2^+1.1455P] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0529
_refine_ls_wR_factor_ref         0.0551
_reflns_number_gt                1803
_reflns_number_total             2031
_reflns_threshold_expression     >3\(I)
_cod_data_source_file            b705759h.txt
_cod_data_source_block           '[TMEDAH2][(UO2)2F2(HPO4)2]'
_cod_depositor_comments
;
The following automatic conversions were performed:
'_symmetry_cell_setting' value 'Monoclinic' changed to 'monoclinic'
according to '/home/saulius/struct/CIF-dictionaries/cif_core.dic'
dictionary named 'cif_core.dic' version 2.4.1 from 2010-06-29.

Automatic conversion script
Id: cif_fix_enum 1527 2010-12-29 10:47:43Z saulius 
;
_cod_original_cell_volume        894.7(3)
_cod_original_sg_symbol_H-M      'P 21/c'
_cod_database_code               7005822