From structural properties of the EuIII complex with ethylenediaminetetra(methylenephosphonic acid) (H8EDTMP) towards biomedical applications.
Mondry, Anna; Janicki, Rafał; Dalton transactions (Cambridge, England : 2003)  (2006) 4702–4710; doi:10.1039/b606420e

data_7007496
_publ_section_title
;
 From structural properties of the EuIII complex with
 ethylenediaminetetra(methylenephosphonic acid) (H8EDTMP) towards
 biomedical applications.
;
_journal_issue                   39
_journal_name_full
'Dalton transactions (Cambridge, England : 2003)'
_journal_page_first              4702
_journal_page_last               4710
_journal_paper_doi               10.1039/b606420e
_journal_year                    2006
_chemical_formula_sum            'C14 H74 Eu N23 O25 P4'
_chemical_formula_weight         1240.80
_chemical_name_systematic
;
?
;
_space_group_IT_number           14
_symmetry_cell_setting           monoclinic
_symmetry_space_group_name_Hall  '-P 2yn'
_symmetry_space_group_name_H-M   'P 1 21/n 1'
_atom_sites_solution_hydrogens   geom
_atom_sites_solution_primary     vecmap
_atom_sites_solution_secondary   difmap
_audit_creation_method           SHELXL-97
_cell_angle_alpha                90.00
_cell_angle_beta                 101.85(3)
_cell_angle_gamma                90.00
_cell_formula_units_Z            4
_cell_length_a                   12.407(4)
_cell_length_b                   16.606(6)
_cell_length_c                   24.071(9)
_cell_measurement_reflns_used    no
_cell_measurement_temperature    100(2)
_cell_measurement_theta_max      28.5
_cell_measurement_theta_min      3
_cell_volume                     4854(3)
_computing_cell_refinement       'CrysAlis RED ver. 1.171'
_computing_data_collection       'CrysAlis CCD ver. 1.171'
_computing_data_reduction        'CrysAlis RED ver. 1.171'
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 1997)'
_computing_structure_solution    'SHELXS-97 (Sheldrick, 1990)'
_diffrn_ambient_temperature      100(2)
_diffrn_measured_fraction_theta_full 0.912
_diffrn_measured_fraction_theta_max 0.912
_diffrn_measurement_device_type  'Kuma KM4 with a CCD counter'
_diffrn_measurement_method       '\w scan'
_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  0.0415
_diffrn_reflns_av_sigmaI/netI    0.0719
_diffrn_reflns_limit_h_max       16
_diffrn_reflns_limit_h_min       -16
_diffrn_reflns_limit_k_max       17
_diffrn_reflns_limit_k_min       -21
_diffrn_reflns_limit_l_max       31
_diffrn_reflns_limit_l_min       -31
_diffrn_reflns_number            31261
_diffrn_reflns_theta_full        28.48
_diffrn_reflns_theta_max         28.48
_diffrn_reflns_theta_min         2.92
_exptl_absorpt_coefficient_mu    1.525
_exptl_absorpt_correction_T_max  0.843
_exptl_absorpt_correction_T_min  0.773
_exptl_absorpt_correction_type   'analytical, from the shape'
_exptl_crystal_colour            colourless
_exptl_crystal_density_diffrn    1.698
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       irreguler
_exptl_crystal_F_000             2568
_exptl_crystal_size_max          0.4
_exptl_crystal_size_mid          0.25
_exptl_crystal_size_min          0.2
_refine_diff_density_max         1.021
_refine_diff_density_min         -0.590
_refine_diff_density_rms         0.105
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   0.935
_refine_ls_hydrogen_treatment    mixed
_refine_ls_matrix_type           full
_refine_ls_number_parameters     662
_refine_ls_number_reflns         11207
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      0.935
_refine_ls_R_factor_all          0.0618
_refine_ls_R_factor_gt           0.0336
_refine_ls_shift/su_max          0.002
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'calc w=1/[\s^2^(Fo^2^)+(0.0300P)^2^+0.0000P] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0617
_refine_ls_wR_factor_ref         0.0660
_reflns_number_gt                7933
_reflns_number_total             11207
_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            b606420e.txt
_cod_data_source_block           euepabs
_cod_original_sg_symbol_H-M      'P 1 2(1)/n 1'
_cod_database_code               7007496