data_2003813
_journal_name_full   'Acta Crystallographica'
_journal_year        1995
_journal_volume     C51
_journal_page_first     1559
_journal_page_last     1563
_publ_section_title
;
Sodium Triaqua(ethylenediaminetetraacetato)lanthanate(III) Pentahydrate and
the Isomorphous Neodymium(III) and Europium(III) Salts
;
_chemical_formula_moiety     'C10 H12 N2 Na Nd O8 , 8H2 O'
_chemical_formula_sum     'C10 H28 N2 Na Nd O16'
_chemical_formula_weight     599.56
_symmetry_cell_setting     orthorhombic
loop_
    _symmetry_equiv_pos_as_xyz
    'x,y,z'
    '-x,-y,z'
    '1/4+x,1/4-y,1/4+z'
    '1/4-x,1/4+y,1/4+z'
    'x,1/2+y,1/2+z'
    '-x,1/2-y,1/2+z'
    '1/4+x,3/4-y,3/4+z'
    '1/4-x,3/4+y,3/4+z'
    '1/2+x,y,1/2+z'
    '1/2-x,-y,1/2+z'
    '3/4+x,1/4-y,3/4+z'
    '3/4-x,1/4+y,3/4+z'
    '1/2+x,1/2+y,z'
    '1/2-x,1/2-y,z'
    '3/4+x,3/4-y,1/4+z'
    '3/4-x,3/4+y,1/4+z'
_symmetry_space_group_name_H-M     'F d d 2'
_cell_length_a     19.543(5)
_cell_length_b     35.683(8)
_cell_length_c     12.142(5)
_cell_angle_alpha     90
_cell_angle_beta     90
_cell_angle_gamma     90
_cell_volume     8467(3)
_cell_formula_units_Z     16
_exptl_crystal_density_diffrn     1.881
_exptl_crystal_density_meas     1.865
_exptl_crystal_density_method     'flotation in CHCl~3~/CH~2~BrCH~2~Br'
_diffrn_radiation_type     'MoK\a'
_diffrn_radiation_wavelength     0.71073
_cell_measurement_reflns_used     25
_cell_measurement_theta_min     11.79
_cell_measurement_theta_max     13.13
_exptl_absorpt_coefficient_mu     2.551
_cell_measurement_temperature     298
_exptl_crystal_description     'prismatic'
_exptl_crystal_size_max     0.2
_exptl_crystal_size_mid     0.2
_exptl_crystal_size_min     0.2
_exptl_crystal_size_rad     ?
_exptl_crystal_colour     'violet'
_chemical_compound_source     'see text'
_diffrn_measurement_device     'Rigaku AFC-5R'
_diffrn_measurement_method     '\w/2\q scans'
_exptl_absorpt_correction_type
;\y scans (North, Phillips & Mathews, 1968)
;
_exptl_absorpt_correction_T_min     0.86
_exptl_absorpt_correction_T_max     1.00
_diffrn_reflns_number     4082
_reflns_number_total     3550
_reflns_number_observed     2246
_reflns_observed_criterion     'I>3\s(I)'
_diffrn_reflns_av_R_equivalents     0.030
_diffrn_reflns_theta_max     27.5
_diffrn_reflns_limit_h_min     0
_diffrn_reflns_limit_h_max     25
_diffrn_reflns_limit_k_min     0
_diffrn_reflns_limit_k_max     46
_diffrn_reflns_limit_l_min     0
_diffrn_reflns_limit_l_max     16
_diffrn_standards_number     3
_diffrn_standards_interval_count     150
_diffrn_standards_interval_time     ?
_diffrn_standards_decay_%     4.15
_refine_ls_structure_factor_coef     F
_refine_ls_R_factor_obs     0.025
_refine_ls_wR_factor_obs     0.031
_refine_ls_goodness_of_fit_obs     1.56
_refine_ls_number_reflns     2246
_refine_ls_number_parameters     270
_refine_ls_hydrogen_treatment     'H atoms were not located'
_refine_ls_weighting_scheme
;w = 1/[\s^2^(F) + 0.0001F^2^]
;
_refine_ls_shift/esd_max     0.001
_refine_diff_density_max     0.60
_refine_diff_density_min     -0.52
_refine_ls_extinction_method     'none'
_refine_ls_extinction_coef     ?
_atom_type_scat_source     'IntTabIV'
loop_
    _atom_site_label
    _atom_site_fract_x
    _atom_site_fract_y
    _atom_site_fract_z
    _atom_site_B_iso_or_equiv
    Nd 0.58343(2) 0.345481(9) 0.5 1.48(1)
    Na 0.6375(2) 0.3681(1) 0.1860(3) 3.8(2)
    O(1) 0.5182(3) 0.3350(2) 0.6678(4) 2.0(2)
    O(2) 0.5118(3) 0.3277(2) 0.8514(5) 3.1(3)
    O(3) 0.7062(3) 0.3307(2) 0.4702(4) 2.4(2)
    O(4) 0.8121(3) 0.3236(2) 0.5318(5) 3.6(3)
    O(5) 0.4706(3) 0.3306(1) 0.4277(5) 2.4(2)
    O(6) 0.4027(4) 0.2885(2) 0.3475(7) 5.1(4)
    O(7) 0.5974(3) 0.3173(1) 0.3168(4) 2.3(2)
    O(8) 0.6060(4) 0.2683(2) 0.2061(5) 4.3(3)
    OW(1) 0.5016(3) 0.4028(1) 0.5143(5) 2.3(2)
    OW(2) 0.6368(3) 0.3916(2) 0.6274(5) 2.5(3)
    OW(3) 0.6345(3) 0.3953(1) 0.3788(5) 2.1(2)
    OW(4) 0.5189(5) 0.3878(3) 0.176(1) 11.0(8)
    OW(5) 0.6180(6) 0.3211(3) 0.0474(7) 8.0(5)
    OW(6) 0.8969(5) 0.3490(2) 0.703(1) 8.3(6)
    OW(7) 0.6866(3) 0.2104(2) 0.1458(6) 3.6(3)
    OW(8) 0.7376(8) 0.2142(5) -0.061(1) 17.(1)
    N(1) 0.6495(3) 0.3067(2) 0.6601(5) 1.9(3)
    N(2) 0.5574(3) 0.2716(2) 0.4921(7) 2.2(2)
    C(1) 0.5429(3) 0.3263(2) 0.7625(7) 1.9(3)
    C(2) 0.6182(4) 0.3140(2) 0.7694(6) 2.4(3)
    C(3) 0.7495(4) 0.3249(2) 0.5467(6) 1.9(3)
    C(4) 0.7228(4) 0.3194(3) 0.6619(7) 2.7(3)
    C(5) 0.4503(4) 0.2969(3) 0.4119(7) 3.0(4)
    C(6) 0.4821(4) 0.2663(2) 0.4766(8) 3.0(4)
    C(7) 0.5990(4) 0.2829(2) 0.2986(7) 2.4(3)
    C(8) 0.5949(6) 0.2557(3) 0.3972(8) 3.1(4)
    C(9) 0.6483(4) 0.2656(2) 0.6319(7) 2.6(3)
    C(10) 0.5786(4) 0.2528(3) 0.5961(8) 2.6(4)