#------------------------------------------------------------------------------
#$Date: 2011-09-10 04:16:28 +0100 (Sat, 10 Sep 2011) $
#$Revision: 25271 $
#$URL: svn://www.crystallography.net/cod/cif/2/2007335.cif $
#------------------------------------------------------------------------------
#
# This file is available in the Crystallography Open Database (COD),
# http://www.crystallography.net/. The original data for this entry
# were provided by IUCr Journals, http://journals.iucr.org/.
#
# The file may be used within the scientific community so long as
# proper attribution is given to the journal article from which the
# data were obtained.
#
data_2007335
loop_
_publ_author_name
'Thompson, J. A.'
'Scott, B. L.'
'Sauer, N. N.'
_publ_section_title
;
 Triethylenetetraminehexaacetic Acid Complex of Lead
;
_journal_issue                   6
_journal_name_full               'Acta Crystallographica Section C'
_journal_page_first              734
_journal_page_last               736
_journal_volume                  54
_journal_year                    1998
_chemical_formula_iupac          'Na4 [Pb2 (C18 H24 N2 O12)](N O3)2, 10H2 O'
_chemical_formula_moiety
;
C18 H24 N6 O18, Pb2, Na4, (N O3)2, (H2 O)10
;
_chemical_formula_sum            'C18 H44 N6 Na4 O28 Pb2'
_chemical_formula_weight         1298.9
_chemical_name_common
;
 tetrasodium triethylenetetraminehexaacetic acid
 dilead nitrate decahydrate
;
_chemical_name_systematic
;
tetrasodium
[\m~2~-[3,6,9,12-tetrakis(carboxymethyl)-3,6,9,12-tetraazatetradecanedioato-]
]-dilead dinitrate decahydrate
;
_space_group_IT_number           2
_symmetry_cell_setting           triclinic
_symmetry_space_group_name_Hall  '-P 1'
_symmetry_space_group_name_H-M   'P -1'
_cell_angle_alpha                63.700(10)
_cell_angle_beta                 87.540(10)
_cell_angle_gamma                69.450(10)
_cell_formula_units_Z            1
_cell_length_a                   10.2000(10)
_cell_length_b                   10.2430(10)
_cell_length_c                   11.2300(10)
_cell_measurement_reflns_used    32
_cell_measurement_temperature    293(2)
_cell_measurement_theta_max      25
_cell_measurement_theta_min      13
_cell_volume                     976.0(2)
_computing_cell_refinement       XSCANS
_computing_data_collection       'XSCANS (Siemens, 1994)'
_computing_data_reduction        XSCANS
_computing_molecular_graphics    'SHELXTL/PC (Siemens, 1990)'
_computing_publication_material  SHELXL93
_computing_structure_refinement  'SHELXL93 (Sheldrick, 1993)'
_computing_structure_solution    'SHELXS86 (Sheldrick, 1990)'
_diffrn_ambient_temperature      293(2)
_diffrn_measurement_device       'Siemens P4/PC'
_diffrn_measurement_method       '\w scans'
_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  0.025
_diffrn_reflns_av_sigmaI/netI    0.0368
_diffrn_reflns_limit_h_max       14
_diffrn_reflns_limit_h_min       -1
_diffrn_reflns_limit_k_max       12
_diffrn_reflns_limit_k_min       -12
_diffrn_reflns_limit_l_max       15
_diffrn_reflns_limit_l_min       -15
_diffrn_reflns_number            6084
_diffrn_reflns_theta_max         30.00
_diffrn_reflns_theta_min         2.04
_diffrn_standards_decay_%        3.21
_diffrn_standards_interval_count 97
_diffrn_standards_number         3
_exptl_absorpt_coefficient_mu    8.76
_exptl_absorpt_correction_T_max  0.246
_exptl_absorpt_correction_T_min  0.095
_exptl_absorpt_correction_type   '\y scan (XEMP; Siemens, 1990)'
_exptl_crystal_colour            colorless
_exptl_crystal_density_diffrn    2.210
_exptl_crystal_density_meas      'not measured'
_exptl_crystal_description       'square plate'
_exptl_crystal_F_000             626
_exptl_crystal_size_max          0.37
_exptl_crystal_size_mid          0.33
_exptl_crystal_size_min          0.16
_refine_diff_density_max         1.58
_refine_diff_density_min         -2.04
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_all   1.079
_refine_ls_goodness_of_fit_obs   1.081
_refine_ls_hydrogen_treatment    noref
_refine_ls_matrix_type           full
_refine_ls_number_parameters     262
_refine_ls_number_reflns         5243
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      1.079
_refine_ls_restrained_S_obs      1.081
_refine_ls_R_factor_all          0.0365
_refine_ls_R_factor_obs          0.0308
_refine_ls_shift/esd_max         0.000
_refine_ls_shift/esd_mean        0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_scheme
'calc w = 1/[\s^2^(Fo^2^)+(0.0478P)^2^+0.4283P] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_wR_factor_all         0.0786
_refine_ls_wR_factor_obs         0.0752
_reflns_number_observed          4805
_reflns_number_total             5243
_reflns_observed_criterion       >2sigma(I)
_[local]_cod_data_source_file    fr1076.cif
_[local]_cod_data_source_block   xr21
_cod_database_code               2007335
loop_
_symmetry_equiv_pos_as_xyz
'x, y, z'
'-x, -y, -z'
loop_
_atom_site_aniso_label
_atom_site_aniso_U_11
_atom_site_aniso_U_22
_atom_site_aniso_U_33
_atom_site_aniso_U_12
_atom_site_aniso_U_13
_atom_site_aniso_U_23
Pb1 0.02103(8) 0.01661(8) 0.01392(8) -0.00770(6) 0.00274(5) -0.00718(6)
Na1 0.0283(10) 0.0369(12) 0.0399(12) -0.0119(9) 0.0059(8) -0.0233(10)
Na2 0.0322(11) 0.0336(12) 0.0548(15) -0.0140(9) 0.0128(10) -0.0216(11)
C1 0.029(2) 0.018(2) 0.019(2) -0.006(2) 0.002(2) -0.009(2)
C2 0.032(2) 0.017(2) 0.017(2) -0.005(2) -0.001(2) -0.008(2)
C3 0.022(2) 0.020(2) 0.019(2) -0.004(2) 0.001(2) -0.008(2)
C4 0.019(2) 0.026(2) 0.028(2) -0.004(2) -0.002(2) -0.014(2)
C5 0.026(2) 0.017(2) 0.014(2) -0.007(2) -0.0022(15) -0.0051(15)
C6 0.029(2) 0.021(2) 0.027(2) -0.016(2) 0.007(2) -0.014(2)
C7 0.024(2) 0.024(2) 0.025(2) -0.012(2) 0.010(2) -0.013(2)
C8 0.030(2) 0.023(2) 0.020(2) -0.016(2) 0.010(2) -0.011(2)
C9 0.036(2) 0.025(2) 0.022(2) -0.013(2) 0.012(2) -0.018(2)
O1 0.038(2) 0.022(2) 0.018(2) -0.0024(14) 0.0021(13) -0.0117(13)
O2 0.046(2) 0.023(2) 0.032(2) 0.006(2) -0.006(2) -0.011(2)
O3 0.026(2) 0.022(2) 0.056(3) -0.0074(14) -0.003(2) -0.018(2)
O4 0.0223(15) 0.022(2) 0.033(2) 0.0002(13) 0.0028(13) -0.0127(14)
O5 0.034(2) 0.030(2) 0.020(2) -0.0180(15) 0.0091(13) -0.0136(14)
O6 0.042(2) 0.029(2) 0.038(2) -0.014(2) 0.007(2) -0.025(2)
O7 0.060(3) 0.033(2) 0.085(4) -0.024(2) 0.030(3) -0.022(3)
O8 0.074(4) 0.051(3) 0.048(3) -0.016(3) 0.010(3) -0.015(2)
O9 0.059(3) 0.074(4) 0.088(4) -0.026(3) -0.010(3) -0.043(3)
N1 0.025(2) 0.019(2) 0.014(2) -0.0084(14) 0.0046(13) -0.0091(13)
N2 0.023(2) 0.016(2) 0.020(2) -0.0068(14) 0.0034(13) -0.0097(14)
N3 0.029(2) 0.028(2) 0.054(3) -0.006(2) 0.009(2) -0.014(2)
O1W 0.030(2) 0.030(2) 0.051(3) -0.009(2) 0.002(2) -0.020(2)
O2W 0.052(3) 0.064(3) 0.063(3) -0.011(2) -0.002(2) -0.045(3)
O3W 0.027(2) 0.043(2) 0.031(2) -0.004(2) 0.0047(14) -0.022(2)
O4W 0.072(3) 0.054(3) 0.036(2) -0.011(3) 0.006(2) -0.020(2)
O5W 0.042(2) 0.037(2) 0.029(2) -0.013(2) 0.006(2) -0.013(2)
loop_
_atom_site_label
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_U_iso_or_equiv
_atom_site_thermal_displace_type
_atom_site_calc_flag
_atom_site_refinement_flags
_atom_site_occupancy
_atom_site_type_symbol
Pb1 0.02038(2) 0.46103(2) 0.211542(14) 0.01690(5) Uani d . 1 Pb
Na1 -0.4890(2) 1.0310(3) 0.1459(2) 0.0329(5) Uani d . 1 Na
Na2 -0.6588(2) 0.8114(3) 0.1800(3) 0.0393(5) Uani d . 1 Na
C1 0.1900(5) 0.1135(5) 0.4528(5) 0.0228(9) Uani d . 1 C
C2 0.1320(5) 0.2032(5) 0.5345(4) 0.0230(9) Uani d . 1 C
H2A 0.1207(5) 0.1311(5) 0.6227(4) 0.028 Uiso calc R 1 H
H2B 0.1996(5) 0.2450(5) 0.5460(4) 0.028 Uiso calc R 1 H
C3 -0.3184(5) 0.6946(5) 0.1395(4) 0.0223(8) Uani d . 1 C
C4 -0.3145(5) 0.5458(6) 0.1377(5) 0.0248(9) Uani d . 1 C
H4A -0.4053(5) 0.5355(6) 0.1549(5) 0.030 Uiso calc R 1 H
H4B -0.2985(5) 0.5535(6) 0.0494(5) 0.030 Uiso calc R 1 H
C5 -0.0864(5) 0.2624(5) 0.1086(4) 0.0198(8) Uani d . 1 C
C6 -0.1813(5) 0.2698(5) 0.2141(5) 0.0228(9) Uani d . 1 C
H6A -0.2726(5) 0.2755(5) 0.1860(5) 0.027 Uiso calc R 1 H
H6B -0.1410(5) 0.1738(5) 0.2971(5) 0.027 Uiso calc R 1 H
C7 -0.2427(5) 0.3754(6) 0.3752(5) 0.0230(9) Uani d . 1 C
H7A -0.3132(5) 0.3280(6) 0.3922(5) 0.028 Uiso calc R 1 H
H7B -0.2846(5) 0.4747(6) 0.3781(5) 0.028 Uiso calc R 1 H
C8 -0.1168(5) 0.2688(5) 0.4834(4) 0.0221(8) Uani d . 1 C
H8A -0.1489(5) 0.2499(5) 0.5701(4) 0.026 Uiso calc R 1 H
H8B -0.0771(5) 0.1688(5) 0.4816(4) 0.026 Uiso calc R 1 H
C9 -0.0408(5) 0.4466(6) 0.5251(5) 0.0245(9) Uani d . 1 C
H9A -0.0212(5) 0.3893(6) 0.6221(5) 0.029 Uiso calc R 1 H
H9B -0.1411(5) 0.5095(6) 0.5013(5) 0.029 Uiso calc R 1 H
O1 0.1367(4) 0.1746(4) 0.3329(3) 0.0272(7) Uani d . 1 O
O2 0.2910(5) -0.0157(4) 0.5106(4) 0.0394(10) Uani d . 1 O
O3 -0.2034(4) 0.6979(4) 0.1727(4) 0.0344(9) Uani d . 1 O
O4 -0.4348(3) 0.8067(4) 0.1027(4) 0.0283(7) Uani d . 1 O
O5 -0.0227(4) 0.3571(4) 0.0641(3) 0.0254(7) Uani d . 1 O
O6 -0.0742(4) 0.1616(4) 0.0718(4) 0.0326(8) Uani d . 1 O
O7 -0.6833(6) 0.3708(6) 0.3485(6) 0.0599(15) Uani d . 1 O
O8 -0.6719(6) 0.5656(6) 0.1703(6) 0.0633(14) Uani d . 1 O
O9 -0.6119(6) 0.5382(7) 0.3624(7) 0.070(2) Uani d . 1 O
N1 -0.0051(4) 0.3330(4) 0.4692(4) 0.0187(7) Uani d . 1 N
N2 -0.2018(4) 0.4043(4) 0.2394(4) 0.0192(7) Uani d . 1 N
N3 -0.6547(5) 0.4909(6) 0.2936(6) 0.0400(11) Uani d . 1 N
O1W -0.2670(4) 1.0220(5) 0.0781(5) 0.0368(9) Uani d . 1 O
O2W -0.4846(5) 1.1663(6) 0.2597(6) 0.0559(13) Uani d . 1 O
O3W -0.7355(4) 1.0799(5) 0.1487(4) 0.0341(8) Uani d . 1 O
O4W -0.5316(6) 0.8170(6) 0.3735(5) 0.0578(14) Uani d . 1 O
O5W -0.9062(4) 0.8379(5) 0.1792(4) 0.0374(9) Uani d . 1 O
H2WA -0.5428 1.2442 0.2711 0.080 Uiso d . 1 H
H2WB -0.4001 1.1047 0.3342 0.080 Uiso d . 1 H
H1WA -0.2111 1.0629 0.1160 0.080 Uiso d . 1 H
H1WB -0.2003 0.9229 0.0991 0.080 Uiso d . 1 H
loop_
_atom_type_symbol
_atom_type_description
_atom_type_scat_dispersion_real
_atom_type_scat_dispersion_imag
_atom_type_scat_source
C C 0.0033 0.0016 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
H H 0.0000 0.0000 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
N N 0.0061 0.0033 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
O O 0.0106 0.0060 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Na Na 0.0362 0.0249 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Pb Pb -3.3944 10.1111 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
loop_
_geom_angle_atom_site_label_1
_geom_angle_atom_site_label_2
_geom_angle_atom_site_label_3
_geom_angle_site_symmetry_1
_geom_angle_site_symmetry_3
_geom_angle
_geom_angle_publ_flag
O5 Pb1 O1 . . 73.06(11) yes
O5 Pb1 N2 . . 66.35(12) yes
O1 Pb1 N2 . . 83.84(12) yes
O5 Pb1 O3 . . 106.49(12) yes
O1 Pb1 O3 . . 145.63(13) yes
N2 Pb1 O3 . . 65.84(12) yes
O5 Pb1 N1 . . 121.86(12) yes
O1 Pb1 N1 . . 64.57(11) yes
N2 Pb1 N1 . . 71.10(12) yes
O3 Pb1 N1 . . 89.47(13) yes
O2W Na1 O1W . . 93.2(2) no
O2W Na1 O3W . . 94.5(2) no
O1W Na1 O3W . . 163.9(2) no
O2W Na1 O4 . . 157.9(2) no
O1W Na1 O4 . . 82.76(14) no
O3W Na1 O4 . . 95.13(15) no
O2W Na1 O4 . 2_475 115.6(2) no
O1W Na1 O4 . 2_475 81.5(2) no
O3W Na1 O4 . 2_475 82.36(14) no
O4 Na1 O4 . 2_475 85.42(14) no
O2W Na1 O4W . . 87.4(2) no
O1W Na1 O4W . . 124.7(2) no
O3W Na1 O4W . . 69.9(2) no
O4 Na1 O4W . . 77.3(2) no
O4 Na1 O4W 2_475 . 145.5(2) no
O2W Na1 Na2 . . 130.6(2) no
O1W Na1 Na2 . . 131.16(13) no
O3W Na1 Na2 . . 49.51(11) no
O4 Na1 Na2 . . 48.43(10) no
O4 Na1 Na2 2_475 . 94.30(12) no
O4W Na1 Na2 . . 52.10(14) no
O2W Na1 Na1 . 2_475 156.7(2) no
O1W Na1 Na1 . 2_475 79.27(13) no
O3W Na1 Na1 . 2_475 88.15(12) no
O4 Na1 Na1 . 2_475 43.66(10) no
O4 Na1 Na1 2_475 2_475 41.76(9) no
O4W Na1 Na1 . 2_475 115.1(2) no
Na2 Na1 Na1 . 2_475 66.96(8) no
O2W Na1 Na2 . 2_475 109.5(2) no
O1W Na1 Na2 . 2_475 42.84(12) no
O3W Na1 Na2 . 2_475 121.05(13) no
O4 Na1 Na2 . 2_475 82.13(11) no
O4 Na1 Na2 2_475 2_475 38.69(9) no
O4W Na1 Na2 . 2_475 157.73(14) no
Na2 Na1 Na2 . 2_475 117.76(7) no
Na1 Na1 Na2 2_475 2_475 50.80(7) no
O4 Na2 O3W . . 94.42(15) no
O4 Na2 O5W . . 160.4(2) no
O3W Na2 O5W . . 88.10(15) no
O4 Na2 O9 . . 105.2(2) no
O3W Na2 O9 . . 140.0(2) no
O5W Na2 O9 . . 84.6(2) no
O4 Na2 O1W . 2_475 78.62(14) no
O3W Na2 O1W . 2_475 77.14(14) no
O5W Na2 O1W . 2_475 83.01(15) no
O9 Na2 O1W . 2_475 140.2(2) no
O4 Na2 O4W . . 79.0(2) no
O3W Na2 O4W . . 70.1(2) no
O5W Na2 O4W . . 119.9(2) no
O9 Na2 O4W . . 79.8(2) no
O1W Na2 O4W 2_475 . 138.4(2) no
O4 Na2 O8 . . 100.5(2) no
O3W Na2 O8 . . 158.8(2) no
O5W Na2 O8 . . 72.9(2) no
O9 Na2 O8 . . 49.2(2) no
O1W Na2 O8 2_475 . 91.0(2) no
O4W Na2 O8 . . 127.4(2) no
O4 Na2 N3 . . 107.58(15) no
O3W Na2 N3 . . 156.1(2) no
O5W Na2 N3 . . 74.35(15) no
O9 Na2 N3 . . 24.8(2) no
O1W Na2 N3 2_475 . 115.6(2) no
O4W Na2 N3 . . 104.4(2) no
O8 Na2 N3 . . 24.8(2) no
O4 Na2 Na1 . . 49.14(11) no
O3W Na2 Na1 . . 48.06(10) no
O5W Na2 Na1 . . 136.14(14) no
O9 Na2 Na1 . . 127.9(2) no
O1W Na2 Na1 2_475 . 85.19(12) no
O4W Na2 Na1 . . 53.83(14) no
O8 Na2 Na1 . . 149.5(2) no
N3 Na2 Na1 . . 147.15(14) no
O4 Na2 Na1 . 2_475 40.93(10) no
O3W Na2 Na1 . 2_475 84.10(12) no
O5W Na2 Na1 . 2_475 120.42(13) no
O9 Na2 Na1 . 2_475 132.7(2) no
O1W Na2 Na1 2_475 2_475 37.69(10) no
O4W Na2 Na1 . 2_475 112.28(15) no
O8 Na2 Na1 . 2_475 97.31(14) no
N3 Na2 Na1 . 2_475 118.62(13) no
Na1 Na2 Na1 . 2_475 62.24(7) no
O2 C1 O1 . . 124.3(4) no
O2 C1 C2 . . 116.9(4) no
O1 C1 C2 . . 118.7(4) no
N1 C2 C1 . . 112.1(4) no
O4 C3 O3 . . 125.0(5) no
O4 C3 C4 . . 117.2(4) no
O3 C3 C4 . . 117.8(4) no
N2 C4 C3 . . 111.8(4) no
O6 C5 O5 . . 123.7(4) no
O6 C5 C6 . . 117.6(4) no
O5 C5 C6 . . 118.7(4) no
N2 C6 C5 . . 113.4(4) no
N2 C7 C8 . . 111.7(4) no
N1 C8 C7 . . 113.6(4) no
N1 C9 C9 . 2_566 112.6(4) no
C1 O1 Pb1 . . 118.4(3) yes
C3 O3 Pb1 . . 116.7(3) yes
C3 O4 Na2 . . 129.2(3) no
C3 O4 Na1 . . 124.6(3) no
Na2 O4 Na1 . . 82.43(13) no
C3 O4 Na1 . 2_475 116.6(3) no
Na2 O4 Na1 . 2_475 100.38(15) no
Na1 O4 Na1 . 2_475 94.58(14) no
C5 O5 Pb1 . . 116.7(3) yes
N3 O8 Na2 . . 92.1(4) no
N3 O9 Na2 . . 96.9(4) no
C8 N1 C2 . . 109.5(4) no
C8 N1 C9 . . 110.4(3) no
C2 N1 C9 . . 111.9(4) no
C8 N1 Pb1 . . 106.8(2) yes
C2 N1 Pb1 . . 105.1(2) yes
C9 N1 Pb1 . . 112.8(3) yes
C6 N2 C4 . . 109.6(4) no
C6 N2 C7 . . 111.7(4) no
C4 N2 C7 . . 108.8(3) no
C6 N2 Pb1 . . 109.1(3) yes
C4 N2 Pb1 . . 106.8(3) yes
C7 N2 Pb1 . . 110.8(3) yes
O8 N3 O9 . . 119.7(6) no
O8 N3 O7 . . 120.1(6) no
O9 N3 O7 . . 120.2(7) no
O8 N3 Na2 . . 63.1(4) no
O9 N3 Na2 . . 58.3(4) no
O7 N3 Na2 . . 165.3(4) no
Na1 O1W Na2 . 2_475 99.5(2) no
Na1 O3W Na2 . . 82.43(13) no
Na2 O4W Na1 . . 74.07(15) no
loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_site_symmetry_2
_geom_bond_distance
_geom_bond_publ_flag
Pb1 O1 . 2.455(3) yes
Pb1 O3 . 2.559(3) yes
Pb1 O5 . 2.454(3) yes
Pb1 N1 . 2.641(4) yes
Pb1 N2 . 2.505(4) yes
Na1 O2W . 2.275(5) no
Na1 O1W . 2.342(5) no
Na1 O3W . 2.387(4) no
Na1 O4 . 2.427(4) no
Na1 O4 2_475 2.516(4) no
Na1 O4W . 2.671(6) no
Na1 Na2 . 3.181(3) no
Na1 Na1 2_475 3.632(4) no
Na1 Na2 2_475 3.778(3) no
Na2 O4 . 2.401(4) no
Na2 O3W . 2.440(5) no
Na2 O5W . 2.441(5) no
Na2 O9 . 2.514(7) no
Na2 O1W 2_475 2.604(5) no
Na2 O4W . 2.610(6) no
Na2 O8 . 2.617(6) no
Na2 N3 . 2.933(6) no
Na2 Na1 2_475 3.778(3) no
C1 O2 . 1.255(5) no
C1 O1 . 1.256(5) no
C1 C2 . 1.535(6) no
C2 N1 . 1.476(6) no
C3 O4 . 1.251(5) no
C3 O3 . 1.261(6) no
C3 C4 . 1.520(7) no
C4 N2 . 1.484(6) no
C5 O6 . 1.239(6) no
C5 O5 . 1.264(6) no
C5 C6 . 1.509(6) no
C6 N2 . 1.470(6) no
C7 N2 . 1.489(6) no
C7 C8 . 1.514(6) no
C8 N1 . 1.474(6) no
C9 N1 . 1.488(5) no
C9 C9 2_566 1.503(10) no
O4 Na1 2_475 2.516(4) no
O7 N3 . 1.242(7) no
O8 N3 . 1.233(7) no
O9 N3 . 1.238(8) no
O1W Na2 2_475 2.604(5) no