# Supplementary Material (ESI) for New Journal of Chemistry
# This journal is © The Royal Society of Chemistry and 
# The Centre National de la Recherche Scientifique, 1999
# CCDC Number: 440/140 

data_ndglut 
 
_audit_creation_method            SHELXL 
_chemical_name_systematic 
; 
 ? 
; 
_chemical_formula_sum             'C10 H36 Cl2 Nd2 O20' 
_chemical_formula_weight          835.77 
 
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' 
 'Cl'  'Cl'   0.1484   0.1585 
 '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' 
 'Nd'  'Nd'  -0.1943   3.0179 
 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4' 
 
_symmetry_cell_setting            Triclinic
_symmetry_space_group_name_H-M    'P 1'
 
loop_ 
 _symmetry_equiv_pos_as_xyz 
 'x, y, z' 
 
_cell_length_a                    7.8770(10) 
_cell_length_b                    8.781(2) 
_cell_length_c                    10.444(2) 
_cell_angle_alpha                 110.69(2) 
_cell_angle_beta                  95.240(10) 
_cell_angle_gamma                 103.48(2) 
_cell_volume                      645.1(2) 
_cell_formula_units_Z             1 
_cell_measurement_temperature     293(2) 
_cell_measurement_reflns_used     2335
_cell_measurement_theta_min       3.5
_cell_measurement_theta_max       26
 
_exptl_crystal_description        'Plate'
_exptl_crystal_colour             'Pale violet'
_exptl_crystal_size_max           0.80 
_exptl_crystal_size_mid           0.60 
_exptl_crystal_size_min           0.20 
_exptl_crystal_density_diffrn     2.151 
_exptl_crystal_F_000              410 
_exptl_absorpt_coefficient_mu     4.270 
_exptl_absorpt_correction_type    empirical
_exptl_absorpt_correction_T_min   ? 
_exptl_absorpt_correction_T_max   ? 
  
_diffrn_ambient_temperature       293(2) 
_diffrn_radiation_wavelength      0.71073 
_diffrn_radiation_type            MoK\a 
_diffrn_radiation_source          'fine-focus sealed tube' 
_diffrn_radiation_monochromator   graphite 
_diffrn_measurement_device        'Kuma KM4CCD'
_diffrn_measurement_method        '\w scans'
_diffrn_standards_number          ? 
_diffrn_standards_interval_count  ? 
_diffrn_standards_interval_time   ? 
_diffrn_standards_decay_%         ? 
_diffrn_reflns_number             3793 
_diffrn_reflns_av_R_equivalents   0.0169 
_diffrn_reflns_av_sigmaI/netI     0.0136 
_diffrn_reflns_limit_h_min        -11 
_diffrn_reflns_limit_h_max        11 
_diffrn_reflns_limit_k_min        -4 
_diffrn_reflns_limit_k_max        12 
_diffrn_reflns_limit_l_min        -15 
_diffrn_reflns_limit_l_max        15 
_diffrn_reflns_theta_min          3.11 
_diffrn_reflns_theta_max          26.00 
_reflns_number_total              1894 
_reflns_number_observed           1887 
_reflns_observed_criterion        >2sigma(I) 
 
_computing_data_collection        'Kuma KM4CCD software, 1998' 
_computing_cell_refinement        'Kuma KM4CCD software, 1998'
_computing_data_reduction         'Kuma KM4CCD software, 1998'
_computing_structure_solution     'SHELXS-86 (Sheldrick, 1990)' 
_computing_structure_refinement   'SHELXL-93 (Sheldrick, 1993)' 
_computing_molecular_graphics     'ORTEPII'
_computing_publication_material   ? 
 
_refine_special_details 
; 
 Refinement on F^2^ for ALL reflections except for 0 with very negative F^2^ 
 or flagged by the user for potential systematic errors.  Weighted R-factors 
 wR and all goodnesses of fit S are based on F^2^, conventional R-factors R 
 are based on F, with F set to zero for negative F^2^. The observed criterion 
 of F^2^ > 2sigma(F^2^) is used only for calculating _R_factor_obs etc. and is 
 not relevant to the choice of reflections for refinement.  R-factors based 
 on F^2^ are statistically about twice as large as those based on F, and R- 
 factors based on ALL data will be even larger. 
; 
 
_refine_ls_structure_factor_coef  Fsqd  
_refine_ls_matrix_type            fullcycle 
_refine_ls_weighting_scheme 
 'calc w=1/[\s^2^(Fo^2^)+(0.0864P)^2^+1.1319P] where P=(Fo^2^+2Fc^2^)/3' 
_atom_sites_solution_primary      heavy
_atom_sites_solution_secondary    difmap 
_atom_sites_solution_hydrogens    geom 
_refine_ls_hydrogen_treatment     refU
_refine_ls_extinction_method      SHELXL 
_refine_ls_extinction_coef        0.0230(21) 
_refine_ls_extinction_expression 
 'Fc^*^=kFc[1+0.001xFc^2^\l^3^/sin(2\q)]^-1/4^' 
_refine_ls_abs_structure_details 
 'Flack H D (1983), Acta Cryst. A39, 876-881' 
_refine_ls_abs_structure_Flack    -0.02(4) 
_refine_ls_number_reflns          1894 
_refine_ls_number_parameters      308 
_refine_ls_number_restraints      141 
_refine_ls_R_factor_all           0.0348 
_refine_ls_R_factor_obs           0.0347 
_refine_ls_wR_factor_all          0.0979 
_refine_ls_wR_factor_obs          0.0978 
_refine_ls_goodness_of_fit_all    1.076 
_refine_ls_goodness_of_fit_obs    1.077 
_refine_ls_restrained_S_all       1.045 
_refine_ls_restrained_S_obs       1.047 
_refine_ls_shift/esd_max          -0.159 
_refine_ls_shift/esd_mean         0.045 
 
loop_ 
 _atom_site_label 
 _atom_site_type_symbol 
 _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_occupancy 
 _atom_site_calc_flag 
 _atom_site_refinement_flags 
 _atom_site_disorder_group 
Nd1 Nd -0.00185(6) -0.00947(6) 0.00059(4) 0.0121(2) Uani 1 d . . 
Nd2 Nd -0.05447(6) -0.15180(6) -0.41545(4) 0.0123(2) Uani 1 d . . 
OW1 O -0.2918(11) 0.0139(10) 0.0753(8) 0.025(2) Uani 1 d . . 
OW2 O 0.2240(13) -0.0425(11) 0.1617(7) 0.030(2) Uani 1 d U . 
OW3 O -0.1401(13) -0.2358(12) 0.0804(9) 0.032(2) Uani 1 d U . 
OW4 O 0.0784(17) 0.2403(13) 0.2321(9) 0.052(3) Uani 1 d . . 
OW5 O -0.1296(9) -0.3900(9) -0.6460(6) 0.0145(13) Uani 1 d U . 
OW6 O 0.2220(12) -0.1914(10) -0.5173(8) 0.027(2) Uani 1 d . . 
OW7 O 0.0883(12) 0.0861(11) -0.4867(9) 0.030(2) Uani 1 d U . 
OW8 O -0.2960(12) -0.1053(11) -0.5590(7) 0.031(2) Uani 1 d U . 
O1 O -0.2124(10) -0.1711(9) -0.2202(6) 0.018(2) Uani 1 d U . 
O2 O -0.3531(9) -0.3617(10) -0.4174(6) 0.017(2) Uani 1 d U . 
O3 O 0.0945(10) -0.2661(9) -0.1108(6) 0.018(2) Uani 1 d . . 
O4 O 0.0380(12) -0.3580(10) -0.3429(7) 0.028(2) Uani 1 d . . 
O5 O 0.1506(12) 0.0169(9) -0.2049(7) 0.023(2) Uani 1 d U . 
O6 O 0.2975(10) 0.1799(10) 0.0137(6) 0.020(2) Uani 1 d . . 
O7 O -0.0881(9) 0.2097(9) -0.0669(6) 0.0122(13) Uani 1 d U . 
O8 O -0.1594(11) 0.0906(9) -0.2996(6) 0.018(2) Uani 1 d U . 
C1 C -0.3482(14) -0.2792(13) -0.2975(9) 0.0149(15) Uani 1 d U . 
C2 C -0.5101(16) -0.3274(14) -0.2290(10) 0.018(2) Uani 1 d U . 
H2A H -0.4650(16) -0.3406(14) -0.1452(10) 0.021 Uiso 1 calc R . 
H2B H -0.5595(16) -0.2319(14) -0.2001(10) 0.021 Uiso 1 calc R . 
C3 C -0.6560(13) -0.4799(12) -0.3119(9) 0.0113(15) Uani 1 d U . 
H3A H -0.6135(13) -0.5793(12) -0.3307(9) 0.014 Uiso 1 calc R . 
H3B H -0.6960(13) -0.4747(12) -0.4005(9) 0.014 Uiso 1 calc R . 
C4 C -0.8105(13) -0.4962(12) -0.2368(8) 0.013(2) Uani 1 d U . 
H4A H -0.8951(13) -0.6075(12) -0.2858(8) 0.016 Uiso 1 calc R . 
H4B H -0.7674(13) -0.4867(12) -0.1434(8) 0.016 Uiso 1 calc R . 
C5 C -0.9029(13) -0.3615(12) -0.2277(8) 0.012(2) Uani 1 d U . 
C6 C 0.2968(14) 0.1269(13) -0.1217(9) 0.013(2) Uani 1 d U . 
C7 C 0.4565(16) 0.1517(14) -0.1787(10) 0.019(2) Uani 1 d U . 
H7A H 0.4230(16) 0.1305(14) -0.2765(10) 0.022 Uiso 1 calc R . 
H7B H 0.5156(16) 0.0681(14) -0.1734(10) 0.022 Uiso 1 calc R . 
C8 C 0.5906(16) 0.3304(14) -0.1053(11) 0.021(2) Uani 1 d . . 
H8A H 0.6309(16) 0.3516(14) -0.0084(11) 0.025 Uiso 1 calc R . 
H8B H 0.5336(16) 0.4161(14) -0.1083(11) 0.025 Uiso 1 calc R . 
C9 C 0.7521(14) 0.3404(13) -0.1808(9) 0.015(2) Uani 1 d U . 
H9A H 0.7119(14) 0.3264(13) -0.2759(9) 0.018 Uiso 1 calc R . 
H9B H 0.8378(14) 0.4514(13) -0.1338(9) 0.018 Uiso 1 calc R . 
C10 C 0.8396(14) 0.2068(13) -0.1818(9) 0.016(2) Uani 1 d U . 
Cl1 Cl 0.4745(4) 0.1467(4) 0.4471(2) 0.0273(6) Uani 1 d . . 
Cl2 Cl 0.4674(4) 0.6975(4) 0.1394(3) 0.0257(6) Uani 1 d . . 
OW9 O 0.3543(12) 0.5389(11) 0.3619(8) 0.030(2) Uani 1 d U . 
OW10 O 0.9074(13) 0.3004(11) 0.4596(8) 0.031(2) Uani 1 d . . 
OW11 O 0.5990(12) 0.3089(11) 0.2245(6) 0.025(2) Uani 1 d . . 
OW12 O 0.0486(11) 0.5445(10) 0.1288(7) 0.022(2) Uani 1 d U . 
 
loop_ 
 _atom_site_aniso_label 
 _atom_site_aniso_U_11 
 _atom_site_aniso_U_22 
 _atom_site_aniso_U_33 
 _atom_site_aniso_U_23 
 _atom_site_aniso_U_13 
 _atom_site_aniso_U_12 
Nd1 0.0137(3) 0.0132(4) 0.0090(3) 0.0028(2) 0.0026(2) 0.0054(3) 
Nd2 0.0147(3) 0.0119(4) 0.0096(3) 0.0024(2) 0.0029(2) 0.0052(3) 
OW1 0.025(4) 0.015(4) 0.034(4) 0.004(3) 0.019(3) 0.007(3) 
OW2 0.041(5) 0.020(4) 0.027(3) 0.003(3) -0.008(3) 0.020(4) 
OW3 0.034(5) 0.033(5) 0.047(4) 0.030(4) 0.013(4) 0.018(4) 
OW4 0.079(9) 0.037(6) 0.031(4) -0.007(4) 0.013(5) 0.028(6) 
OW5 0.014(2) 0.015(2) 0.013(2) 0.0051(15) 0.005(2) 0.001(2) 
OW6 0.027(5) 0.020(4) 0.029(3) 0.002(3) 0.011(3) 0.008(4) 
OW7 0.021(4) 0.028(4) 0.046(4) 0.014(3) 0.021(3) 0.007(3) 
OW8 0.028(5) 0.034(5) 0.017(3) -0.002(3) -0.012(3) 0.009(4) 
O1 0.013(3) 0.023(4) 0.015(3) 0.002(3) 0.003(2) 0.009(3) 
O2 0.014(4) 0.028(4) 0.009(3) 0.009(3) 0.004(2) 0.003(3) 
O3 0.020(4) 0.020(4) 0.019(3) 0.007(3) 0.009(3) 0.011(3) 
O4 0.046(6) 0.026(5) 0.017(3) 0.005(3) 0.004(3) 0.027(4) 
O5 0.033(5) 0.010(4) 0.017(3) 0.001(3) 0.006(3) -0.006(3) 
O6 0.016(4) 0.034(5) 0.011(3) 0.010(3) 0.001(3) 0.005(3) 
O7 0.013(2) 0.013(2) 0.011(2) 0.0043(15) 0.002(2) 0.004(2) 
O8 0.028(4) 0.010(4) 0.012(3) 0.000(3) 0.001(3) 0.007(3) 
C1 0.013(3) 0.014(3) 0.015(2) 0.004(2) 0.003(2) 0.004(2) 
C2 0.017(4) 0.016(4) 0.016(3) 0.004(3) 0.004(3) -0.002(3) 
C3 0.012(2) 0.011(2) 0.010(2) 0.003(2) 0.004(2) 0.003(2) 
C4 0.013(3) 0.011(4) 0.012(3) 0.001(3) 0.003(3) 0.003(3) 
C5 0.011(2) 0.012(2) 0.012(2) 0.003(2) 0.003(2) 0.005(2) 
C6 0.012(3) 0.014(3) 0.015(3) 0.006(3) 0.002(3) 0.006(3) 
C7 0.019(3) 0.018(3) 0.018(2) 0.005(2) 0.006(2) 0.006(2) 
C8 0.024(6) 0.010(6) 0.031(5) 0.009(4) 0.009(5) 0.008(5) 
C9 0.012(4) 0.010(5) 0.021(4) 0.007(3) 0.001(3) 0.001(4) 
C10 0.014(4) 0.018(4) 0.012(3) 0.003(3) 0.003(3) 0.002(3) 
Cl1 0.030(2) 0.025(2) 0.0145(9) -0.0029(10) -0.0038(10) 0.0062(13) 
Cl2 0.0204(14) 0.037(2) 0.0319(12) 0.0223(12) 0.0137(10) 0.0136(12) 
OW9 0.030(3) 0.029(3) 0.031(2) 0.012(2) 0.007(2) 0.007(2) 
OW10 0.038(5) 0.027(5) 0.029(4) 0.009(3) 0.005(3) 0.016(4) 
OW11 0.027(4) 0.033(5) 0.011(3) 0.005(3) 0.001(3) 0.008(4) 
OW12 0.023(2) 0.021(2) 0.022(2) 0.008(2) 0.005(2) 0.007(2) 
 
_geom_special_details 
; 
 All esds (except the esd in the dihedral angle between two l.s. planes) 
 are estimated using the full covariance matrix.  The cell esds are taken 
 into account individually in the estimation of esds in distances, angles 
 and torsion angles; correlations between esds in cell parameters are only 
 used when they are defined by crystal symmetry.  An approximate (isotropic) 
 treatment of cell esds is used for estimating esds involving l.s. planes. 
; 
 
loop_ 
 _geom_bond_atom_site_label_1 
 _geom_bond_atom_site_label_2 
 _geom_bond_distance 
 _geom_bond_site_symmetry_2 
 _geom_bond_publ_flag 
Nd1 O1 2.444(7) . ?
Nd1 O3 2.472(7) . ?
Nd1 OW2 2.474(8) . ?
Nd1 OW3 2.482(9) . ?
Nd1 O7 2.478(7) . ?
Nd1 OW1 2.510(7) . ?
Nd1 O6 2.509(8) . ?
Nd1 OW4 2.527(8) . ?
Nd1 O5 2.607(7) . ?
Nd1 C6 2.986(10) . ? 
Nd1 Nd2 4.0257(10) . ? 
Nd2 O5 2.361(8) . ?
Nd2 O4 2.421(8) . ?
Nd2 O8 2.421(6) . ?
Nd2 OW5 2.475(6) . ? 
Nd2 OW8 2.511(8) . ? 
Nd2 O1 2.519(6) . ? 
Nd2 OW7 2.518(9) . ? 
Nd2 OW6 2.551(8) . ? 
Nd2 O2 2.622(7) . ? 
Nd2 C1 2.900(10) . ? 
O1 C1 1.235(13) . ? 
O2 C1 1.196(11) . ? 
O3 C5 1.218(10) 1_655 ? 
O4 C5 1.264(11) 1_655 ? 
O5 C6 1.312(13) . ? 
O6 C6 1.322(10) . ? 
O7 C10 1.271(11) 1_455 ? 
O8 C10 1.293(10) 1_455 ? 
C1 C2 1.564(14) . ? 
C1 C5 4.430(14) . ? 
C1 C6 5.208(11) . ? 
C1 C10 9.104(11) . ? 
C2 C3 1.46(2) . ? 
C3 C4 1.514(12) . ? 
C4 C5 1.507(13) . ? 
C5 O3 1.218(10) 1_455 ? 
C5 O4 1.264(11) 1_455 ? 
C6 C7 1.444(14) . ? 
C7 C8 1.55(2) . ? 
C8 C9 1.558(14) . ? 
C9 C10 1.489(14) . ? 
C10 O7 1.271(11) 1_655 ? 
C10 O8 1.293(10) 1_655 ? 
 
loop_ 
 _geom_angle_atom_site_label_1 
 _geom_angle_atom_site_label_2 
 _geom_angle_atom_site_label_3 
 _geom_angle 
 _geom_angle_site_symmetry_1 
 _geom_angle_site_symmetry_3 
 _geom_angle_publ_flag 
O1 Nd1 O3 75.0(2) . . ? 
O1 Nd1 OW2 141.1(2) . . ? 
O3 Nd1 OW2 67.7(2) . . ? 
O1 Nd1 OW3 87.4(3) . . ? 
O3 Nd1 OW3 69.6(3) . . ? 
OW2 Nd1 OW3 70.1(3) . . ? 
O1 Nd1 O7 75.6(2) . . ? 
O3 Nd1 O7 137.6(2) . . ? 
OW2 Nd1 O7 141.4(2) . . ? 
OW3 Nd1 O7 138.1(2) . . ? 
O1 Nd1 OW1 78.6(2) . . ? 
O3 Nd1 OW1 129.3(2) . . ? 
OW2 Nd1 OW1 117.5(3) . . ? 
OW3 Nd1 OW1 66.7(3) . . ? 
O7 Nd1 OW1 72.5(2) . . ? 
O1 Nd1 O6 121.7(2) . . ? 
O3 Nd1 O6 91.3(2) . . ? 
OW2 Nd1 O6 70.7(2) . . ? 
OW3 Nd1 O6 140.5(2) . . ? 
O7 Nd1 O6 79.0(2) . . ? 
OW1 Nd1 O6 139.3(2) . . ? 
O1 Nd1 OW4 147.0(3) . . ? 
O3 Nd1 OW4 137.5(3) . . ? 
OW2 Nd1 OW4 69.9(3) . . ? 
OW3 Nd1 OW4 98.6(3) . . ? 
O7 Nd1 OW4 78.6(3) . . ? 
OW1 Nd1 OW4 74.4(3) . . ? 
O6 Nd1 OW4 72.0(3) . . ? 
O1 Nd1 O5 70.2(2) . . ? 
O3 Nd1 O5 70.6(2) . . ? 
OW2 Nd1 O5 105.8(2) . . ? 
OW3 Nd1 O5 138.2(2) . . ? 
O7 Nd1 O5 71.0(2) . . ? 
OW1 Nd1 O5 136.5(2) . . ? 
O6 Nd1 O5 52.0(2) . . ? 
OW4 Nd1 O5 119.5(3) . . ? 
O1 Nd1 C6 96.1(2) . . ? 
O3 Nd1 C6 79.0(2) . . ? 
OW2 Nd1 C6 87.2(2) . . ? 
OW3 Nd1 C6 146.3(2) . . ? 
O7 Nd1 C6 74.5(2) . . ? 
OW1 Nd1 C6 146.8(2) . . ? 
O6 Nd1 C6 26.0(2) . . ? 
OW4 Nd1 C6 96.3(3) . . ? 
O5 Nd1 C6 26.0(3) . . ? 
O1 Nd1 Nd2 36.4(2) . . ? 
O3 Nd1 Nd2 67.3(2) . . ? 
OW2 Nd1 Nd2 128.0(2) . . ? 
OW3 Nd1 Nd2 115.4(2) . . ? 
O7 Nd1 Nd2 70.84(13) . . ? 
OW1 Nd1 Nd2 110.7(2) . . ? 
O6 Nd1 Nd2 85.73(13) . . ? 
OW4 Nd1 Nd2 145.0(3) . . ? 
O5 Nd1 Nd2 33.9(2) . . ? 
C6 Nd1 Nd2 59.8(2) . . ? 
O5 Nd2 O4 76.4(2) . . ? 
O5 Nd2 O8 73.1(3) . . ? 
O4 Nd2 O8 133.9(2) . . ? 
O5 Nd2 OW5 148.8(3) . . ? 
O4 Nd2 OW5 81.8(2) . . ? 
O8 Nd2 OW5 137.2(2) . . ? 
O5 Nd2 OW8 135.0(3) . . ? 
O4 Nd2 OW8 144.8(2) . . ? 
O8 Nd2 OW8 63.6(2) . . ? 
OW5 Nd2 OW8 73.7(2) . . ? 
O5 Nd2 O1 73.1(2) . . ? 
O4 Nd2 O1 73.3(2) . . ? 
O8 Nd2 O1 65.3(2) . . ? 
OW5 Nd2 O1 121.4(2) . . ? 
OW8 Nd2 O1 98.3(2) . . ? 
O5 Nd2 OW7 82.7(3) . . ? 
O4 Nd2 OW7 137.1(2) . . ? 
O8 Nd2 OW7 71.4(2) . . ? 
OW5 Nd2 OW7 99.0(2) . . ? 
OW8 Nd2 OW7 72.6(3) . . ? 
O1 Nd2 OW7 134.7(2) . . ? 
O5 Nd2 OW6 84.4(3) . . ? 
O4 Nd2 OW6 73.8(2) . . ? 
O8 Nd2 OW6 134.7(3) . . ? 
OW5 Nd2 OW6 68.1(2) . . ? 
OW8 Nd2 OW6 117.6(3) . . ? 
O1 Nd2 OW6 143.6(2) . . ? 
OW7 Nd2 OW6 67.1(3) . . ? 
O5 Nd2 O2 120.6(2) . . ? 
O4 Nd2 O2 75.6(3) . . ? 
O8 Nd2 O2 91.2(2) . . ? 
OW5 Nd2 O2 73.9(2) . . ? 
OW8 Nd2 O2 73.6(2) . . ? 
O1 Nd2 O2 49.0(2) . . ? 
OW7 Nd2 O2 146.1(2) . . ? 
OW6 Nd2 O2 133.9(2) . . ? 
O5 Nd2 C1 98.1(2) . . ? 
O4 Nd2 C1 76.4(3) . . ? 
O8 Nd2 C1 74.7(2) . . ? 
OW5 Nd2 C1 98.2(2) . . ? 
OW8 Nd2 C1 82.5(2) . . ? 
O1 Nd2 C1 25.1(3) . . ? 
OW7 Nd2 C1 144.2(2) . . ? 
OW6 Nd2 C1 148.6(2) . . ? 
O2 Nd2 C1 24.4(2) . . ? 
O5 Nd2 Nd1 38.0(2) . . ? 
O4 Nd2 Nd1 69.46(15) . . ? 
O8 Nd2 Nd1 65.2(2) . . ? 
OW5 Nd2 Nd1 146.9(2) . . ? 
OW8 Nd2 Nd1 122.5(2) . . ? 
O1 Nd2 Nd1 35.2(2) . . ? 
OW7 Nd2 Nd1 113.1(2) . . ? 
OW6 Nd2 Nd1 116.5(2) . . ? 
O2 Nd2 Nd1 83.08(13) . . ? 
C1 Nd2 Nd1 60.1(2) . . ? 
C1 O1 Nd1 155.1(6) . . ? 
C1 O1 Nd2 95.0(5) . . ? 
Nd1 O1 Nd2 108.4(3) . . ? 
C1 O2 Nd2 91.0(6) . . ? 
C5 O3 Nd1 138.4(6) 1_655 . ? 
C5 O4 Nd2 135.3(6) 1_655 . ? 
C6 O5 Nd2 158.3(6) . . ? 
C6 O5 Nd1 93.4(5) . . ? 
Nd2 O5 Nd1 108.2(3) . . ? 
C6 O6 Nd1 97.5(6) . . ? 
C10 O7 Nd1 132.7(6) 1_455 . ? 
C10 O8 Nd2 146.2(6) 1_455 . ? 
O2 C1 O1 122.7(9) . . ? 
O2 C1 C2 119.0(10) . . ? 
O1 C1 C2 117.6(8) . . ? 
O2 C1 Nd2 64.7(5) . . ? 
O1 C1 Nd2 59.9(5) . . ? 
C2 C1 Nd2 173.5(7) . . ? 
O2 C1 C5 107.5(7) . . ? 
O1 C1 C5 128.6(6) . . ? 
C2 C1 C5 22.2(5) . . ? 
Nd2 C1 C5 153.9(4) . . ? 
O2 C1 C6 104.4(6) . . ? 
O1 C1 C6 18.4(4) . . ? 
C2 C1 C6 136.0(6) . . ? 
Nd2 C1 C6 41.88(14) . . ? 
C5 C1 C6 145.5(2) . . ? 
O2 C1 C10 90.4(6) . . ? 
O1 C1 C10 32.6(5) . . ? 
C2 C1 C10 147.8(6) . . ? 
Nd2 C1 C10 32.1(2) . . ? 
C5 C1 C10 160.8(2) . . ? 
C6 C1 C10 15.36(11) . . ? 
C3 C2 C1 118.3(8) . . ? 
C2 C3 C4 111.3(7) . . ? 
C5 C4 C3 111.6(8) . . ? 
O3 C5 O4 128.1(9) 1_455 1_455 ? 
O3 C5 C4 116.3(8) 1_455 . ? 
O4 C5 C4 115.6(7) 1_455 . ? 
O3 C5 C1 109.6(6) 1_455 . ? 
O4 C5 C1 93.3(6) 1_455 . ? 
C4 C5 C1 60.6(5) . . ? 
O5 C6 O6 116.9(9) . . ? 
O5 C6 C7 118.3(8) . . ? 
O6 C6 C7 123.1(10) . . ? 
O5 C6 Nd1 60.6(5) . . ? 
O6 C6 Nd1 56.4(5) . . ? 
C7 C6 Nd1 163.5(7) . . ? 
O5 C6 C1 18.6(4) . . ? 
O6 C6 C1 98.2(6) . . ? 
C7 C6 C1 136.4(6) . . ? 
Nd1 C6 C1 42.12(14) . . ? 
C6 C7 C8 114.9(8) . . ? 
C7 C8 C9 109.1(8) . . ? 
C10 C9 C8 111.2(8) . . ? 
O7 C10 O8 121.3(9) 1_655 1_655 ? 
O7 C10 C9 119.2(8) 1_655 . ? 
O8 C10 C9 119.4(8) 1_655 . ? 
O7 C10 C1 106.9(5) 1_655 . ? 
O8 C10 C1 89.0(6) 1_655 . ? 
C9 C10 C1 74.0(6) . . ? 
 
_refine_diff_density_max    '1.662 close to Nd'
_refine_diff_density_min    '-1.543 close to Nd'
_refine_diff_density_rms    0.181