#------------------------------------------------------------------------------
#$Date: 2017-02-04 15:58:03 +0200 (Sat, 04 Feb 2017) $
#$Revision: 191641 $
#$URL: file:///home/coder/svn-repositories/cod/cif/7/04/13/7041366.cif $
#------------------------------------------------------------------------------
#
# This file is available in the Crystallography Open Database (COD),
# http://www.crystallography.net/
#
# All data on this site have been placed in the public domain by the
# contributors.
#
data_7041366
loop_
_publ_author_name
'Lin, Qingfang'
'Zhang, Yu'
'Cheng, Weiwei'
'Liu, Ying'
'Xu, Yan'
_publ_section_title
;
 Isolation, structure and magnetic properties of two novel core-shell
 3d-4f heterometallic nanoscale clusters.
;
_journal_issue                   3
_journal_name_full
'Dalton transactions (Cambridge, England : 2003)'
_journal_page_first              643
_journal_page_last               646
_journal_paper_doi               10.1039/c6dt04118c
_journal_volume                  46
_journal_year                    2017
_chemical_formula_sum            'C198 H333 Cl6 N42 Na4 Nd38 Ni42.5 O339'
_chemical_formula_weight         17007.00
_space_group_crystal_system      orthorhombic
_space_group_IT_number           58
_space_group_name_Hall           '-P 2 2n'
_space_group_name_H-M_alt        'P n n m'
_symmetry_space_group_name_Hall  '-P 2 2n'
_symmetry_space_group_name_H-M   'P n n m'
_atom_sites_solution_hydrogens   mixed
_audit_creation_method           SHELXL-2014/7
_audit_update_record
;
2016-12-02 deposited with the CCDC.
2016-12-07 downloaded from the CCDC.
;
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_formula_units_Z            2
_cell_length_a                   28.703(3)
_cell_length_b                   33.963(3)
_cell_length_c                   24.664(3)
_cell_measurement_reflns_used    8744
_cell_measurement_temperature    296(2)
_cell_measurement_theta_max      25.8
_cell_measurement_theta_min      2.16
_cell_volume                     24043(4)
_computing_cell_refinement       'SAINT (Bruker, 2005)'
_computing_data_collection       'APEX2 (Bruker, 2005)'
_computing_data_reduction        SAINT
_computing_molecular_graphics    SHELXTL
_computing_publication_material  SHELXTL
_computing_structure_refinement  'SHELXL-2014/7 (Sheldrick, 2014)'
_computing_structure_solution    'SHELXL-2014/7 (Sheldrick, 2014)'
_diffrn_ambient_temperature      296(2)
_diffrn_measured_fraction_theta_full 0.971
_diffrn_measured_fraction_theta_max 0.971
_diffrn_measurement_device_type  'Bruker Apex2 CCD'
_diffrn_measurement_method       'ω scans'
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_reflns_av_R_equivalents  0.2260
_diffrn_reflns_av_unetI/netI     0.1523
_diffrn_reflns_Laue_measured_fraction_full 0.971
_diffrn_reflns_Laue_measured_fraction_max 0.971
_diffrn_reflns_limit_h_max       34
_diffrn_reflns_limit_h_min       -34
_diffrn_reflns_limit_k_max       39
_diffrn_reflns_limit_k_min       -38
_diffrn_reflns_limit_l_max       29
_diffrn_reflns_limit_l_min       -26
_diffrn_reflns_number            104792
_diffrn_reflns_point_group_measured_fraction_full 0.971
_diffrn_reflns_point_group_measured_fraction_max 0.971
_diffrn_reflns_theta_full        25.025
_diffrn_reflns_theta_max         25.025
_diffrn_reflns_theta_min         0.929
_exptl_absorpt_coefficient_mu    5.787
_exptl_absorpt_correction_T_max  0.5685
_exptl_absorpt_correction_T_min  0.5200
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   '(SADABS; Sheldrick, 2003)'
_exptl_crystal_colour            Blue
_exptl_crystal_density_diffrn    2.349
_exptl_crystal_description       Slice
_exptl_crystal_F_000             16286
_exptl_crystal_size_max          0.130
_exptl_crystal_size_mid          0.120
_exptl_crystal_size_min          0.110
_refine_diff_density_max         3.073
_refine_diff_density_min         -3.786
_refine_diff_density_rms         0.526
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.016
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     1603
_refine_ls_number_reflns         21142
_refine_ls_number_restraints     425
_refine_ls_restrained_S_all      1.014
_refine_ls_R_factor_all          0.1631
_refine_ls_R_factor_gt           0.0688
_refine_ls_shift/su_max          0.024
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'w=1/[σ²(Fo²)+(0.1000P)²] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1723
_refine_ls_wR_factor_ref         0.2109
_reflns_Friedel_coverage         0.000
_reflns_number_gt                10963
_reflns_number_total             21142
_reflns_threshold_expression     'I > 2σ(I)'
_cod_data_source_file            c6dt04118c2.cif
_cod_data_source_block           zy-17
_cod_depositor_comments
'Adding full bibliography for 7041366--7041367.cif.'
_cod_original_formula_sum        'C198 H333 Cl6 N42 Na4 Nd38 Ni42.50 O339'
_cod_database_code               7041366
_shelx_shelxl_version_number     2014/7
_shelx_space_group_comment
;
The symmetry employed for this shelxl refinement is uniquely defined
by the following loop, which should always be used as a source of
symmetry information in preference to the above space-group names.
They are only intended as comments.
;
_shelx_estimated_absorpt_t_min   0.520
_shelx_estimated_absorpt_t_max   0.569
loop_
_space_group_symop_operation_xyz
'x, y, z'
'-x, -y, z'
'-x+1/2, y+1/2, -z+1/2'
'x+1/2, -y+1/2, -z+1/2'
'-x, -y, -z'
'x, y, -z'
'x-1/2, -y-1/2, z-1/2'
'-x-1/2, y-1/2, z-1/2'
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_adp_type
_atom_site_occupancy
_atom_site_site_symmetry_order
_atom_site_calc_flag
_atom_site_refinement_flags_posn
_atom_site_refinement_flags_adp
_atom_site_refinement_flags_occupancy
_atom_site_disorder_assembly
_atom_site_disorder_group
Nd1 Nd 0.64985(5) 0.37501(4) 1.5000 0.0288(4) Uani 0.7099(14) 2 d S T P A 1
Nd1A Nd 0.68165(13) 0.35732(11) 1.5000 0.0342(11) Uani 0.2901(14) 2 d DS T P A
2
Nd2 Nd 0.65450(3) 0.27320(3) 1.42323(4) 0.0221(3) Uani 0.7099(14) 1 d . . P A 1
Nd2A Nd 0.63612(15) 0.26724(10) 1.42010(14) 0.0698(12) Uani 0.2901(14) 1 d D .
P A 2
Nd3 Nd 0.87933(2) 0.35678(2) 1.41593(3) 0.02043(17) Uani 1 1 d . . . . .
Nd4 Nd 0.66072(2) 0.36802(2) 1.33690(3) 0.02503(18) Uani 1 1 d . . . . .
Nd5 Nd 0.76102(2) 0.42638(2) 1.41446(3) 0.02280(18) Uani 1 1 d . . . . .
Nd6 Nd 0.68446(2) 0.16359(2) 1.36704(3) 0.02451(18) Uani 1 1 d . . . . .
Nd7 Nd 0.71552(2) 0.26722(2) 1.28166(3) 0.02488(18) Uani 1 1 d . . . . .
Nd8 Nd 0.81805(4) 0.26254(3) 1.5000 0.0334(3) Uani 1 2 d S T P A .
Nd9 Nd 0.60564(4) 0.17462(3) 1.5000 0.0317(3) Uani 1 2 d S T P A .
Nd10 Nd 0.82035(2) 0.15547(2) 1.41860(3) 0.02002(17) Uani 1 1 d . . . . .
Nd11 Nd 0.85083(2) 0.25844(2) 1.33435(3) 0.02040(17) Uani 1 1 d . . . . .
Ni12 Ni 0.97966(7) 0.37153(7) 1.5000 0.0229(6) Uani 1 2 d S T P . .
Ni13 Ni 0.91999(5) 0.16945(5) 1.33314(7) 0.0225(4) Uani 1 1 d . . . . .
Ni14 Ni 0.75070(8) 0.51334(7) 1.5000 0.0253(6) Uani 1 2 d S T P . .
Ni15 Ni 0.94125(5) 0.32265(5) 1.30215(7) 0.0222(4) Uani 1 1 d . . . . .
Ni16 Ni 0.76631(5) 0.08833(5) 1.32633(7) 0.0232(4) Uani 1 1 d . . . . .
Ni17 Ni 0.87678(5) 0.45702(5) 1.37186(7) 0.0256(4) Uani 1 1 d . . . . .
Ni18 Ni 0.65297(5) 0.18359(5) 1.22680(7) 0.0233(4) Uani 1 1 d . . . . .
Ni19 Ni 0.87081(7) 0.08267(7) 1.5000 0.0253(6) Uani 1 2 d S T P . .
Ni20 Ni 0.81476(5) 0.24539(5) 1.19666(7) 0.0265(4) Uani 1 1 d . . . . .
Ni21 Ni 0.66974(6) 0.33917(5) 1.19820(8) 0.0339(5) Uani 1 1 d . . . . .
Ni22 Ni 0.70420(6) 0.46574(5) 1.30090(7) 0.0314(5) Uani 1 1 d . . . . .
Ni23 Ni 0.59291(6) 0.09984(6) 1.39725(7) 0.0331(5) Uani 1 1 d . . . . .
Ni24 Ni 0.5000 0.5000 1.5000 0.100(5) Uani 0.5 4 d S T P A .
Cl1 Cl 0.71421(19) 0.06510(19) 0.5000 0.0555(17) Uani 1 2 d S T P . .
O1 O 0.6815(5) 0.3104(5) 1.5000 0.023(3) Uani 0.7099(14) 2 d S TU P A 1
O2 O 0.5679(5) 0.2743(4) 1.3943(7) 0.053(3) Uani 0.7099(14) 1 d . U P A 1
O1A O 0.6777(13) 0.2859(4) 1.5000 0.026(4) Uani 0.2901(14) 2 d DS TU P A 2
O2A O 0.5537(5) 0.2785(7) 1.4016(7) 0.056(4) Uani 0.2901(14) 1 d D U P A 2
O3 O 0.5235(3) 0.2071(5) 1.5000 0.074(3) Uani 1 2 d DS TU P . .
O4 O 0.8125(4) 0.1166(3) 1.5000 0.021(3) Uani 1 2 d S TU P . .
O5 O 0.6808(3) 0.4064(2) 1.4207(3) 0.027(2) Uani 1 1 d . U . . .
O6 O 0.7984(3) 0.4944(2) 1.4433(3) 0.021(2) Uani 1 1 d . U . . .
O7 O 0.8107(3) 0.4568(2) 1.3392(3) 0.028(2) Uani 1 1 d . U . . .
O8 O 0.6405(3) 0.4431(2) 1.3225(3) 0.028(2) Uani 1 1 d . U . . .
O9 O 0.4801(4) 0.1660(4) 1.4238(5) 0.078(4) Uani 1 1 d . . . . .
O10 O 0.8410(4) 0.1955(3) 1.5000 0.025(3) Uani 1 2 d S T P . .
O11 O 0.8014(3) 0.0854(2) 1.3976(3) 0.023(2) Uani 1 1 d . U . . .
O12 O 0.7945(3) 0.3566(2) 1.3899(3) 0.021(2) Uani 1 1 d . . . . .
O13 O 0.7193(3) 0.2312(3) 1.3727(3) 0.032(2) Uani 1 1 d . . . . .
O14 O 0.6113(2) 0.1349(2) 1.3329(3) 0.024(2) Uani 1 1 d . . . . .
O15 O 0.8832(3) 0.2009(2) 1.3867(3) 0.021(2) Uani 1 1 d . . . . .
O16 O 0.8743(2) 0.3263(2) 1.3271(3) 0.022(2) Uani 1 1 d . . . . .
O17 O 0.6239(3) 0.3383(2) 1.4224(4) 0.033(3) Uani 1 1 d . . . . .
O18 O 0.8312(3) 0.0816(3) 1.2887(3) 0.029(2) Uani 1 1 d . . . . .
O19 O 0.9555(3) 0.1337(2) 1.3861(3) 0.025(2) Uani 1 1 d . U . . .
O20 O 0.6446(3) 0.1278(2) 1.4399(3) 0.030(2) Uani 1 1 d . . . . .
O21 O 0.6213(3) 0.2263(2) 1.1777(3) 0.024(2) Uani 1 1 d . U . . .
O22 O 0.8656(3) 0.2844(2) 1.5729(3) 0.024(2) Uani 1 1 d . U . . .
O23 O 0.7101(3) 0.3371(2) 1.2661(3) 0.028(2) Uani 1 1 d . . . . .
O24 O 0.7903(2) 0.2319(2) 1.2747(3) 0.023(2) Uani 1 1 d . . . . .
O25 O 0.8456(3) 0.4223(2) 1.4303(4) 0.027(2) Uani 1 1 d . . . . .
O26 O 0.6924(3) 0.1421(2) 1.2654(4) 0.030(2) Uani 1 1 d . . . . .
O27 O 0.8628(3) 0.1322(2) 1.3320(3) 0.026(2) Uani 1 1 d . . . . .
O28 O 0.9356(2) 0.2629(2) 1.3245(3) 0.022(2) Uani 1 1 d . . . . .
O29 O 0.8950(2) 0.1222(2) 1.4426(3) 0.021(2) Uani 1 1 d . . . . .
O30 O 0.7097(3) 0.5348(2) 1.4374(3) 0.028(2) Uani 1 1 d . . . . .
O31 O 0.8467(3) 0.0433(2) 1.4445(4) 0.028(2) Uani 1 1 d . . . . .
O32 O 0.7010(3) 0.0908(2) 1.3585(3) 0.026(2) Uani 1 1 d . . . . .
O33 O 0.6253(3) 0.2042(2) 1.4086(3) 0.029(2) Uani 1 1 d . U . . .
O34 O 0.7285(4) 0.4572(3) 1.5000 0.024(3) Uani 1 2 d S TU P A .
O35 O 0.8622(3) 0.2787(2) 1.2370(3) 0.025(2) Uani 1 1 d . . . . .
O36 O 0.9455(3) 0.3806(2) 1.2786(4) 0.029(2) Uani 1 1 d . U . . .
O37 O 0.8658(3) 0.2034(3) 1.1890(4) 0.033(3) Uani 1 1 d . . . . .
O38 O 0.5934(3) 0.1521(2) 1.2477(3) 0.025(2) Uani 1 1 d . . . . .
O39 O 0.7672(3) 0.1490(2) 1.3418(3) 0.025(2) Uani 1 1 d . U . . .
O40 O 0.7958(3) 0.2254(3) 1.3979(4) 0.034(3) Uani 1 1 d . . . . .
O41 O 0.7137(3) 0.4824(2) 1.3823(3) 0.027(2) Uani 1 1 d . . . . .
O42 O 0.9422(3) 0.4636(3) 1.5946(4) 0.038(3) Uani 1 1 d . . . . .
O43 O 0.8630(3) 0.5128(2) 1.4004(4) 0.032(2) Uani 1 1 d . . . . .
O44 O 0.7784(2) 0.3002(2) 1.3447(3) 0.019(2) Uani 1 1 d . . . . .
O45 O 0.7303(3) 0.4118(2) 1.3240(3) 0.025(2) Uani 1 1 d . U . . .
O46 O 1.0167(3) 0.3427(3) 1.4404(3) 0.027(2) Uani 1 1 d . . . . .
O47 O 0.8330(4) 0.3524(5) 1.5000 0.042(4) Uani 1 2 d S T P . .
O48 O 0.7618(3) 0.2846(3) 1.1984(4) 0.035(3) Uani 1 1 d . . . . .
O49 O 0.7152(3) 0.2102(2) 1.2097(3) 0.028(2) Uani 1 1 d . . . . .
O50 O 0.7392(3) 0.1656(3) 1.4511(3) 0.028(2) Uani 1 1 d . . . . .
O51 O 0.9269(3) 0.3124(2) 1.2225(3) 0.025(2) Uani 1 1 d . . . . .
O52 O 0.7745(3) 0.2090(3) 1.1512(3) 0.036(3) Uani 1 1 d . . . . .
O53 O 0.8985(3) 0.4054(2) 1.3418(3) 0.026(2) Uani 1 1 d . . . . .
O54 O 0.9230(4) 0.3379(3) 1.5000 0.022(3) Uani 1 2 d S TU P . .
O55 O 0.6492(3) 0.2947(2) 1.3310(3) 0.030(2) Uani 1 1 d . . . . .
O56 O 0.8824(3) 0.2014(2) 1.2765(3) 0.023(2) Uani 1 1 d . . . . .
O57 O 0.6374(3) 0.0546(3) 1.3713(4) 0.039(3) Uani 1 1 d . . . . .
Na1 Na 0.9341(4) 0.2386(3) 1.5000 0.076(3) Uani 1 2 d S T P . .
Na2 Na 0.5000 0.0000 0.3239(5) 0.086(4) Uani 1 2 d S T P . .
O58 O 0.6582(3) 0.2129(2) 1.2958(3) 0.027(2) Uani 1 1 d . . . . .
O59 O 0.7679(3) 0.4873(3) 1.2770(4) 0.035(3) Uani 1 1 d . . . . .
O60 O 0.7375(3) 0.0895(3) 1.2516(4) 0.035(3) Uani 1 1 d . . . . .
O61 O 0.7230(3) 0.3264(3) 1.1439(4) 0.039(3) Uani 1 1 d . . . . .
O62 O 0.9571(3) 0.3336(2) 1.3828(3) 0.028(2) Uani 1 1 d . . . . .
O63 O 0.9749(3) 0.2067(2) 1.3263(4) 0.029(2) Uani 1 1 d . . . . .
O64 O 0.5650(4) 0.2422(4) 1.3222(5) 0.082(4) Uani 1 1 d . . . . .
O65 O 0.4937(7) 0.2626(6) 1.3551(11) 0.205(11) Uani 1 1 d . . . . .
O66 O 0.7685(5) 0.3197(5) 1.5000 0.056(5) Uani 1 2 d S T P . .
O67 O 0.6725(7) 0.3955(5) 1.2112(8) 0.147(4) Uani 1 1 d . U . . .
O68 O 0.6566(3) 0.2802(2) 1.2123(3) 0.025(2) Uani 1 1 d . . . . .
O69 O 0.5507(3) 0.1432(3) 1.4275(4) 0.049(3) Uani 1 1 d . . . . .
O70 O 0.9434(3) 0.4044(2) 1.5556(3) 0.027(2) Uani 1 1 d . . . . .
O12W O 0.5724(3) 0.3805(3) 1.3475(4) 0.046(3) Uani 1 1 d . . . . .
O72 O 0.7610(5) 0.3859(4) 1.5000 0.043(4) Uani 1 2 d S TU P A .
O73 O 0.7215(3) 0.3333(2) 1.3865(3) 0.025(2) Uani 1 1 d . . . . .
O74 O 0.6826(5) 0.1989(6) 1.5000 0.078(6) Uani 1 2 d S T P . .
O75 O 0.7443(4) 0.2586(3) 1.4461(4) 0.050(3) Uani 1 1 d . . . . .
O76 O 0.5388(3) 0.3621(3) 1.2498(5) 0.056(3) Uani 1 1 d . . . . .
O77 O 0.6148(3) 0.3518(4) 1.2489(4) 0.066(4) Uani 1 1 d . . . . .
C1X C 0.6891(5) 0.1131(4) 1.1795(5) 0.040(4) Uani 1 1 d . . . . .
H1XA H 0.7136 0.1046 1.1551 0.048 Uiso 1 1 calc R U . . .
H1XB H 0.6647 0.0934 1.1784 0.048 Uiso 1 1 calc R U . . .
O79 O 0.6913(6) 0.4605(3) 1.2234(6) 0.119(3) Uani 1 1 d D U . . .
O80 O 0.5721(4) 0.4595(3) 1.3506(6) 0.078(4) Uani 1 1 d . U . . .
O13W O 1.1097(4) 0.3617(4) 0.4368(5) 0.080(4) Uani 1 1 d . . . . .
O83 O 0.6053(5) 0.2513(5) 1.5000 0.065(4) Uani 1 2 d S TU P . .
N1 N 0.7577(3) 0.0272(3) 1.3394(4) 0.027(3) Uani 1 1 d . . . . .
N2 N 0.8366(3) 0.2793(3) 1.1300(4) 0.037(3) Uani 1 1 d . . . . .
N3 N 0.6680(4) 0.5194(3) 1.3012(5) 0.035(3) Uani 1 1 d . . . . .
N4 N 1.0124(3) 0.3082(3) 1.3005(4) 0.025(3) Uani 1 1 d . . . . .
N5 N 0.5350(4) 0.0906(4) 1.3465(5) 0.045(4) Uani 1 1 d . . . . .
N6 N 0.8931(4) 0.4772(3) 1.2944(4) 0.029(3) Uani 1 1 d . U . . .
N7 N 0.9380(4) 0.1363(3) 1.2656(4) 0.034(3) Uani 1 1 d . . . . .
N8 N 0.6179(3) 0.3315(3) 1.1422(5) 0.035(3) Uani 1 1 d . . . . .
N9 N 0.7947(5) 0.5633(4) 1.5000 0.026(4) Uani 1 2 d S TU P A .
N10 N 1.0233(4) 0.4199(4) 1.5000 0.021(3) Uani 1 2 d S TU P . .
N11 N 0.6703(4) 0.1496(3) 1.1593(4) 0.031(3) Uani 1 1 d . U . . .
N12 N 0.9411(5) 0.0659(4) 1.5000 0.024(3) Uani 1 2 d S TU P . .
C1 C 0.7949(4) 0.0166(4) 1.3773(5) 0.027(3) Uani 1 1 d . U . . .
H1A H 0.8198 0.0041 1.3569 0.033 Uiso 1 1 calc R U . . .
H1B H 0.7829 -0.0028 1.4026 0.033 Uiso 1 1 calc R U . . .
C2 C 0.8156(4) 0.0509(4) 1.4097(5) 0.029(4) Uani 1 1 d . . . . .
C3 C 0.6810(4) 0.0577(4) 1.3640(5) 0.029(4) Uani 1 1 d . . . . .
C4 C 0.7105(4) 0.0215(4) 1.3639(6) 0.031(3) Uani 1 1 d . U . . .
H4A H 0.6943 0.0010 1.3440 0.037 Uiso 1 1 calc R U . . .
H4B H 0.7142 0.0125 1.4009 0.037 Uiso 1 1 calc R U . . .
C5 C 0.7958(5) 0.3040(5) 1.1151(7) 0.056(4) Uani 1 1 d . U . . .
H5A H 0.8064 0.3309 1.1099 0.067 Uiso 1 1 calc R U . . .
H5B H 0.7837 0.2948 1.0807 0.067 Uiso 1 1 calc R U . . .
C6 C 0.7573(4) 0.3043(4) 1.1551(6) 0.040(4) Uani 1 1 d . . . . .
C7 C 0.8779(4) 0.3029(5) 1.1454(6) 0.047(5) Uani 1 1 d . . . . .
H7A H 0.8720 0.3305 1.1378 0.057 Uiso 1 1 calc R U . . .
H7B H 0.9044 0.2947 1.1237 0.057 Uiso 1 1 calc R U . . .
C8 C 0.8900(4) 0.2979(4) 1.2071(5) 0.029(4) Uani 1 1 d . . . . .
C9 C 0.6173(6) 0.5099(4) 1.3119(8) 0.064(6) Uani 1 1 d . . . . .
H9A H 0.5997 0.5141 1.2788 0.077 Uiso 1 1 calc R U . . .
H9B H 0.6055 0.5281 1.3389 0.077 Uiso 1 1 calc R U . . .
C10 C 0.6086(5) 0.4680(4) 1.3315(7) 0.045(4) Uani 1 1 d . . . . .
C11 Cl 0.80875(13) 0.37845(12) 1.24208(18) 0.0521(12) Uani 1 1 d . . . . .
C12 C 0.6860(5) 0.5436(4) 1.3464(6) 0.042(4) Uani 1 1 d . . . . .
H12A H 0.6617 0.5610 1.3594 0.050 Uiso 1 1 calc R U . . .
H12B H 0.7117 0.5597 1.3337 0.050 Uiso 1 1 calc R U . . .
C13 C 0.9727(4) 0.2424(4) 1.3188(5) 0.031(4) Uani 1 1 d . . . . .
C14 C 1.0140(4) 0.2641(4) 1.3003(7) 0.039(4) Uani 1 1 d . . . . .
H14A H 1.0208 0.2556 1.2636 0.046 Uiso 1 1 calc R U . . .
H14B H 1.0401 0.2560 1.3227 0.046 Uiso 1 1 calc R U . . .
C15 C 1.0340(4) 0.3260(4) 1.3505(5) 0.033(4) Uani 1 1 d . . . . .
H15A H 1.0581 0.3084 1.3638 0.039 Uiso 1 1 calc R U . . .
H15B H 1.0488 0.3507 1.3408 0.039 Uiso 1 1 calc R U . . .
C16 C 1.0002(4) 0.3333(4) 1.3945(5) 0.027(3) Uani 1 1 d . U . . .
C17 C 0.4945(5) 0.1119(5) 1.3716(7) 0.063(6) Uani 1 1 d . . . . .
H17A H 0.4760 0.1239 1.3430 0.075 Uiso 1 1 calc R U . . .
H17B H 0.4749 0.0930 1.3902 0.075 Uiso 1 1 calc R U . . .
C18 C 0.5088(5) 0.1431(5) 1.4108(6) 0.049(4) Uani 1 1 d . U . . .
C19 C 0.5876(4) 0.1331(4) 1.2899(5) 0.029(3) Uani 1 1 d . U . . .
C20 C 0.5469(5) 0.1023(5) 1.2897(6) 0.044(4) Uani 1 1 d . U . . .
H20A H 0.5197 0.1137 1.2723 0.053 Uiso 1 1 calc R U . . .
H20B H 0.5561 0.0792 1.2692 0.053 Uiso 1 1 calc R U . . .
C21 C 0.8060(5) 0.4786(4) 1.2975(6) 0.038(4) Uani 1 1 d . . . . .
C22 C 0.8500(4) 0.4933(4) 1.2702(6) 0.033(4) Uani 1 1 d . . . . .
H22A H 0.8490 0.4863 1.2321 0.040 Uiso 1 1 calc R U . . .
H22B H 0.8508 0.5218 1.2726 0.040 Uiso 1 1 calc R U . . .
C23 C 0.9115(5) 0.4415(4) 1.2610(6) 0.044(4) Uani 1 1 d . . . . .
H23A H 0.8890 0.4345 1.2333 0.053 Uiso 1 1 calc R U . . .
H23B H 0.9405 0.4487 1.2432 0.053 Uiso 1 1 calc R U . . .
C24 C 0.9195(4) 0.4074(4) 1.2975(6) 0.032(3) Uani 1 1 d . U . . .
C25 C 0.8881(5) 0.1911(4) 1.2291(6) 0.036(4) Uani 1 1 d . . . . .
C26 C 0.9266(5) 0.1619(4) 1.2172(6) 0.041(4) Uani 1 1 d . . . . .
H26A H 0.9544 0.1762 1.2063 0.049 Uiso 1 1 calc R U . . .
H26B H 0.9173 0.1453 1.1871 0.049 Uiso 1 1 calc R U . . .
C27 C 0.8642(4) 0.1049(4) 1.2974(5) 0.027(3) Uani 1 1 d . U . . .
C28 C 0.9090(4) 0.0992(4) 1.2665(6) 0.038(4) Uani 1 1 d . . . . .
H28A H 0.9018 0.0914 1.2296 0.046 Uiso 1 1 calc R U . . .
H28B H 0.9268 0.0782 1.2832 0.046 Uiso 1 1 calc R U . . .
C29 C 0.5762(4) 0.3537(4) 1.2261(6) 0.043(4) Uani 1 1 d . . . . .
C11A C 0.7030(4) 0.5166(4) 1.3937(5) 0.029(3) Uani 1 1 d . U . . .
C30 C 0.5737(5) 0.3460(4) 1.1661(6) 0.050(5) Uani 1 1 d . . . . .
H30A H 0.5495 0.3267 1.1593 0.059 Uiso 1 1 calc R U . . .
H30B H 0.5649 0.3702 1.1478 0.059 Uiso 1 1 calc R U . . .
C31 C 0.6169(4) 0.2878(4) 1.1301(5) 0.031(4) Uani 1 1 d . . . . .
H31A H 0.6369 0.2827 1.0993 0.038 Uiso 1 1 calc R U . . .
H31B H 0.5854 0.2806 1.1199 0.038 Uiso 1 1 calc R U . . .
C32 C 0.6323(4) 0.2615(4) 1.1774(5) 0.028(3) Uani 1 1 d . U . . .
C33 C 0.8222(4) 0.5615(4) 1.4487(5) 0.033(3) Uani 1 1 d . U . . .
H33A H 0.8523 0.5738 1.4546 0.039 Uiso 1 1 calc R U . A .
H33B H 0.8061 0.5765 1.4210 0.039 Uiso 1 1 calc R U . . .
C34 C 0.8296(4) 0.5190(4) 1.4282(5) 0.029(4) Uani 1 1 d . . . . .
C35 C 0.9623(4) 0.4363(4) 1.5687(5) 0.035(3) Uani 1 1 d . U . . .
C36 C 1.0133(4) 0.4435(4) 1.5510(5) 0.034(4) Uani 1 1 d . . . . .
H36A H 1.0182 0.4713 1.5441 0.040 Uiso 1 1 calc R U . . .
H36B H 1.0344 0.4354 1.5798 0.040 Uiso 1 1 calc R U . . .
C37 C 0.7054(4) 0.1732(4) 1.1300(5) 0.034(3) Uani 1 1 d . U . . .
H37A H 0.6897 0.1900 1.1041 0.040 Uiso 1 1 calc R U . . .
H37B H 0.7257 0.1556 1.1100 0.040 Uiso 1 1 calc R U . . .
C38 C 0.7345(4) 0.1983(4) 1.1670(5) 0.029(4) Uani 1 1 d . . . . .
C39 C 0.9644(5) 0.0823(4) 1.4504(6) 0.047(4) Uani 1 1 d . . . . .
H39A H 0.9681 0.0614 1.4240 0.056 Uiso 1 1 calc R U . . .
H39B H 0.9952 0.0916 1.4601 0.056 Uiso 1 1 calc R U . . .
C40 C 0.9368(4) 0.1167(4) 1.4239(6) 0.036(4) Uani 1 1 d . . . . .
C1A C 0.7893(6) 0.3554(6) 1.5000 0.037(4) Uani 1 2 d S TU P A .
C2A C 0.7532(4) 0.2388(4) 1.4050(5) 0.026(3) Uani 1 1 d . U . . .
C3A C 0.7206(6) 0.1768(5) 1.5000 0.026(4) Uani 1 2 d S TU P A .
C4A C 0.7089(4) 0.1148(4) 1.2373(6) 0.031(3) Uani 1 1 d . U . . .
C5A C 0.7648(3) 0.3310(3) 1.3729(4) 0.011(3) Uani 1 1 d . U . . .
C6A C 0.5458(5) 0.2588(4) 1.3572(5) 0.040(4) Uani 1 1 d D U . . .
O86 O 0.5794(9) 0.5060(4) 1.5000 0.154(2) Uani 1 2 d DS TU P . .
O85 O 0.6288(5) 0.4525(6) 1.5000 0.143(2) Uani 1 2 d DS TU P . .
O84 O 0.5433(6) 0.4538(10) 1.5000 0.279(7) Uani 1 2 d DS TU P . .
C203 C 0.4752(4) 0.2125(6) 1.5000 0.070(4) Uani 1 2 d DS TU P A .
H20E H 0.4719 0.2295 1.4692 0.084 Uiso 1 1 d R U . . .
C204 C 0.4338(4) 0.1881(7) 1.5000 0.146(8) Uani 1 2 d DS TU P . .
H20C H 0.4100 0.2080 1.5000 0.219 Uiso 1 2 d R U P A .
H20D H 0.4306 0.1720 1.4682 0.219 Uiso 1 1 d R U . . .
C7A C 0.5868(4) 0.4675(4) 1.5000 0.1492(17) Uani 1 2 d DS TU P A .
O1W O 0.5680(5) 0.0577(5) 1.4533(7) 0.131(6) Uani 1 1 d . U . . .
O2W O 1.1739(12) 0.3219(11) 0.5000 0.082(10) Uani 0.5 2 d S TU P . .
O3W O 0.8271(9) 0.1466(8) 0.0936(10) 0.230(10) Uani 1 1 d . U . . .
O4W O 0.5927(7) -0.0209(6) 0.3719(9) 0.164(7) Uani 1 1 d . U . . .
O5W O 0.5645(8) 0.3843(7) 1.5000 0.126(8) Uani 1 2 d S TU P . .
O6W O 0.8354(12) -0.0377(9) 1.5000 0.066(9) Uani 0.5 2 d S TU P . .
O6WA O 0.7372(15) -0.0216(13) 1.5000 0.106(11) Uani 0.5 2 d S TU P . .
O7W O 0.8524(8) 0.4150(6) 0.1318(9) 0.190(8) Uani 1 1 d . U . . .
O8W O 0.5000 0.5000 1.4157(14) 0.216(11) Uani 1 2 d S TU P . .
O9W O 0.5737(6) 0.0661(5) 0.1661(6) 0.119(5) Uani 1 1 d . U . . .
O10W O 0.5000 0.0000 0.2091(8) 0.103(6) Uani 1 2 d S TU P . .
O11W O 0.7363(6) 0.6383(5) 1.5000 0.081(6) Uani 1 2 d S T P . .
C202 C 0.69566(13) 0.42976(6) 1.19529(5) 0.139(3) Uani 1 1 d D U . . .
C201 C 0.70871(13) 0.40819(6) 1.14541(5) 0.171(6) Uani 1 1 d D U . . .
H20F H 0.7026 0.3806 1.1502 0.256 Uiso 1 1 calc R U . . .
H20G H 0.6907 0.4179 1.1155 0.256 Uiso 1 1 calc R U . . .
H20H H 0.7413 0.4120 1.1382 0.256 Uiso 1 1 calc R U . . .
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'
Ni Ni 0.3393 1.1124 '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'
Cl Cl 0.1484 0.1585 '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'
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
O1 Nd1 O5 105.6(3) . 6_558
O1 Nd1 O5 105.6(3) . .
O5 Nd1 O5 109.3(4) 6_558 .
O1 Nd1 O17 68.9(3) . .
O5 Nd1 O17 174.4(3) 6_558 .
O5 Nd1 O17 72.3(3) . .
O1 Nd1 O17 68.9(3) . 6_558
O5 Nd1 O17 72.3(3) 6_558 6_558
O5 Nd1 O17 174.4(3) . 6_558
O17 Nd1 O17 105.6(4) . 6_558
O1 Nd1 O5W 119.9(7) . .
O5 Nd1 O5W 108.1(4) 6_558 .
O5 Nd1 O5W 108.1(4) . .
O17 Nd1 O5W 76.1(4) . .
O17 Nd1 O5W 76.1(4) 6_558 .
O1 Nd1 O85 170.4(5) . .
O5 Nd1 O85 69.5(3) 6_558 .
O5 Nd1 O85 69.5(3) . .
O17 Nd1 O85 115.9(3) . .
O17 Nd1 O85 115.9(3) 6_558 .
O5W Nd1 O85 69.7(7) . .
O1 Nd1 Nd2 34.64(19) . 6_558
O5 Nd1 Nd2 89.2(2) 6_558 6_558
O5 Nd1 Nd2 140.3(2) . 6_558
O17 Nd1 Nd2 86.4(2) . 6_558
O17 Nd1 Nd2 34.2(2) 6_558 6_558
O5W Nd1 Nd2 98.4(5) . 6_558
O85 Nd1 Nd2 149.53(11) . 6_558
O1 Nd1 Nd2 34.63(19) . .
O5 Nd1 Nd2 140.3(2) 6_558 .
O5 Nd1 Nd2 89.2(2) . .
O17 Nd1 Nd2 34.2(2) . .
O17 Nd1 Nd2 86.4(2) 6_558 .
O5W Nd1 Nd2 98.4(5) . .
O85 Nd1 Nd2 149.53(11) . .
Nd2 Nd1 Nd2 57.37(4) 6_558 .
O1 Nd1 Nd4 85.19(3) . 6_558
O5 Nd1 Nd4 35.49(19) 6_558 6_558
O5 Nd1 Nd4 144.0(2) . 6_558
O17 Nd1 Nd4 141.8(2) . 6_558
O17 Nd1 Nd4 36.9(2) 6_558 6_558
O5W Nd1 Nd4 94.82(4) . 6_558
O85 Nd1 Nd4 94.27(3) . 6_558
Nd2 Nd1 Nd4 57.87(2) 6_558 6_558
Nd2 Nd1 Nd4 115.07(4) . 6_558
O1 Nd1 Nd4 85.19(3) . .
O5 Nd1 Nd4 144.0(2) 6_558 .
O5 Nd1 Nd4 35.49(19) . .
O17 Nd1 Nd4 36.9(2) . .
O17 Nd1 Nd4 141.8(2) 6_558 .
O5W Nd1 Nd4 94.82(4) . .
O85 Nd1 Nd4 94.27(3) . .
Nd2 Nd1 Nd4 115.07(4) 6_558 .
Nd2 Nd1 Nd4 57.87(2) . .
Nd4 Nd1 Nd4 168.87(5) 6_558 .
O1A Nd1A O72 115.8(9) . .
O1A Nd1A O5 130.4(2) . 6_558
O72 Nd1A O5 75.8(3) . 6_558
O1A Nd1A O5 130.4(2) . .
O72 Nd1A O5 75.8(3) . .
O5 Nd1A O5 99.1(4) 6_558 .
O1A Nd1A O17 73.9(6) . .
O72 Nd1A O17 132.9(2) . .
O5 Nd1A O17 135.3(3) 6_558 .
O5 Nd1A O17 66.2(3) . .
O1A Nd1A O17 73.9(6) . 6_558
O72 Nd1A O17 132.9(2) . 6_558
O5 Nd1A O17 66.2(3) 6_558 6_558
O5 Nd1A O17 135.3(3) . 6_558
O17 Nd1A O17 94.2(4) . 6_558
O1A Nd1A O66 65.6(9) . .
O72 Nd1A O66 50.2(5) . .
O5 Nd1A O66 107.7(3) 6_558 .
O5 Nd1A O66 107.7(3) . .
O17 Nd1A O66 116.9(3) . .
O17 Nd1A O66 116.9(3) 6_558 .
O1A Nd1A Nd2A 36.3(4) . .
O72 Nd1A Nd2A 128.4(3) . .
O5 Nd1A Nd2A 153.9(2) 6_558 .
O5 Nd1A Nd2A 97.02(19) . .
O17 Nd1A Nd2A 38.5(2) . .
O17 Nd1A Nd2A 87.9(2) 6_558 .
O66 Nd1A Nd2A 86.6(3) . .
O1A Nd1A Nd2A 36.3(4) . 6_558
O72 Nd1A Nd2A 128.4(3) . 6_558
O5 Nd1A Nd2A 97.02(19) 6_558 6_558
O5 Nd1A Nd2A 153.9(2) . 6_558
O17 Nd1A Nd2A 87.9(2) . 6_558
O17 Nd1A Nd2A 38.5(2) 6_558 6_558
O66 Nd1A Nd2A 86.6(3) . 6_558
Nd2A Nd1A Nd2A 61.28(12) . 6_558
O1A Nd1A Nd5 129.0(6) . .
O72 Nd1A Nd5 39.20(16) . .
O5 Nd1A Nd5 91.6(2) 6_558 .
O5 Nd1A Nd5 37.08(18) . .
O17 Nd1A Nd5 97.09(19) . .
O17 Nd1A Nd5 156.6(2) 6_558 .
O66 Nd1A Nd5 75.7(3) . .
Nd2A Nd1A Nd5 113.49(6) . .
Nd2A Nd1A Nd5 162.00(13) 6_558 .
O1A Nd1A Nd5 129.0(6) . 6_558
O72 Nd1A Nd5 39.20(16) . 6_558
O5 Nd1A Nd5 37.09(18) 6_558 6_558
O5 Nd1A Nd5 91.6(2) . 6_558
O17 Nd1A Nd5 156.6(2) . 6_558
O17 Nd1A Nd5 97.09(19) 6_558 6_558
O66 Nd1A Nd5 75.7(3) . 6_558
Nd2A Nd1A Nd5 162.00(13) . 6_558
Nd2A Nd1A Nd5 113.48(6) 6_558 6_558
Nd5 Nd1A Nd5 65.66(6) . 6_558
O1A Nd1A Nd4 94.70(14) . 6_558
O72 Nd1A Nd4 95.76(7) . 6_558
O5 Nd1A Nd4 36.02(18) 6_558 6_558
O5 Nd1A Nd4 133.7(2) . 6_558
O17 Nd1A Nd4 130.5(2) . 6_558
O17 Nd1A Nd4 37.55(19) 6_558 6_558
O66 Nd1A Nd4 99.88(5) . 6_558
Nd2A Nd1A Nd4 121.52(9) . 6_558
Nd2A Nd1A Nd4 61.23(6) 6_558 6_558
Nd5 Nd1A Nd4 124.51(8) . 6_558
Nd5 Nd1A Nd4 59.89(3) 6_558 6_558
O17 Nd2 O55 71.7(3) . .
O17 Nd2 O1 68.8(4) . .
O55 Nd2 O1 127.5(4) . .
O17 Nd2 O83 94.3(4) . .
O55 Nd2 O83 141.4(4) . .
O1 Nd2 O83 74.9(4) . .
O17 Nd2 O33 137.9(3) . .
O55 Nd2 O33 97.3(3) . .
O1 Nd2 O33 135.2(4) . .
O83 Nd2 O33 68.9(4) . .
O17 Nd2 O2 68.3(4) . .
O55 Nd2 O2 70.9(4) . .
O1 Nd2 O2 121.3(5) . .
O83 Nd2 O2 70.5(5) . .
O33 Nd2 O2 69.7(4) . .
O17 Nd2 O13 138.9(3) . .
O55 Nd2 O13 76.2(3) . .
O1 Nd2 O13 115.2(4) . .
O83 Nd2 O13 126.7(4) . .
O33 Nd2 O13 70.5(3) . .
O2 Nd2 O13 123.5(4) . .
O17 Nd2 O75 121.9(3) . .
O55 Nd2 O75 108.5(3) . .
O1 Nd2 O75 67.8(4) . .
O83 Nd2 O75 109.4(4) . .
O33 Nd2 O75 100.2(3) . .
O2 Nd2 O75 169.5(4) . .
O13 Nd2 O75 47.7(3) . .
O17 Nd2 O73 66.1(3) . .
O55 Nd2 O73 62.5(3) . .
O1 Nd2 O73 70.6(3) . .
O83 Nd2 O73 144.6(4) . .
O33 Nd2 O73 145.0(2) . .
O2 Nd2 O73 122.2(4) . .
O13 Nd2 O73 76.7(2) . .
O75 Nd2 O73 64.3(3) . .
O17 Nd2 Nd2 90.5(2) . 6_558
O55 Nd2 Nd2 161.9(2) . 6_558
O1 Nd2 Nd2 38.1(3) . 6_558
O83 Nd2 Nd2 40.1(3) . 6_558
O33 Nd2 Nd2 98.22(18) . 6_558
O2 Nd2 Nd2 106.0(4) . 6_558
O13 Nd2 Nd2 118.03(18) . 6_558
O75 Nd2 Nd2 77.9(2) . 6_558
O73 Nd2 Nd2 107.89(16) . 6_558
O17 Nd2 Nd4 40.4(2) . .
O55 Nd2 Nd4 39.3(2) . .
O1 Nd2 Nd4 88.9(3) . .
O83 Nd2 Nd4 134.2(4) . .
O33 Nd2 Nd4 135.50(18) . .
O2 Nd2 Nd4 83.1(3) . .
O13 Nd2 Nd4 98.98(18) . .
O75 Nd2 Nd4 103.0(2) . .
O73 Nd2 Nd4 39.06(15) . .
Nd2 Nd2 Nd4 123.43(2) 6_558 .
O17 Nd2 Nd7 101.9(2) . .
O55 Nd2 Nd7 36.5(2) . .
O1 Nd2 Nd7 125.8(3) . .
O83 Nd2 Nd7 157.3(3) . .
O33 Nd2 Nd7 88.46(18) . .
O2 Nd2 Nd7 100.7(4) . .
O13 Nd2 Nd7 40.44(18) . .
O75 Nd2 Nd7 75.4(2) . .
O73 Nd2 Nd7 57.95(16) . .
Nd2 Nd2 Nd7 153.210(18) 6_558 .
Nd4 Nd2 Nd7 62.02(2) . .
O33 Nd2A O83 79.6(5) . .
O33 Nd2A O1A 116.0(4) . .
O83 Nd2A O1A 62.2(7) . .
O33 Nd2A O55 106.4(3) . .
O83 Nd2A O55 163.8(5) . .
O1A Nd2A O55 124.8(6) . .
O33 Nd2A O17 162.5(4) . .
O83 Nd2A O17 99.3(5) . .
O1A Nd2A O17 77.8(5) . .
O55 Nd2A O17 70.3(3) . .
O33 Nd2A O2A 89.5(6) . .
O83 Nd2A O2A 79.5(6) . .
O1A Nd2A O2A 126.6(9) . .
O55 Nd2A O2A 85.4(5) . .
O17 Nd2A O2A 73.1(6) . .
O33 Nd2A O13 69.8(3) . .
O83 Nd2A O13 125.2(5) . .
O1A Nd2A O13 91.9(8) . .
O55 Nd2A O13 70.8(3) . .
O17 Nd2A O13 122.7(3) . .
O2A Nd2A O13 141.5(5) . .
O33 Nd2A C6A 73.7(3) . .
O83 Nd2A C6A 95.2(5) . .
O1A Nd2A C6A 150.8(8) . .
O55 Nd2A C6A 72.8(3) . .
O17 Nd2A C6A 89.0(3) . .
O2A Nd2A C6A 24.6(4) . .
O13 Nd2A C6A 116.9(3) . .
O33 Nd2A Nd9 39.2(2) . .
O83 Nd2A Nd9 41.5(4) . .
O1A Nd2A Nd9 84.7(4) . .
O55 Nd2A Nd9 145.4(2) . .
O17 Nd2A Nd9 140.4(2) . .
O2A Nd2A Nd9 90.2(6) . .
O13 Nd2A Nd9 92.82(19) . .
C6A Nd2A Nd9 89.5(3) . .
O33 Nd2A Nd1A 152.9(3) . .
O83 Nd2A Nd1A 82.8(4) . .
O1A Nd2A Nd1A 36.9(3) . .
O55 Nd2A Nd1A 96.1(2) . .
O17 Nd2A Nd1A 41.7(2) . .
O2A Nd2A Nd1A 107.4(5) . .
O13 Nd2A Nd1A 105.0(2) . .
C6A Nd2A Nd1A 128.6(3) . .
Nd9 Nd2A Nd1A 117.83(9) . .
O33 Nd2A Nd2A 97.4(2) . 6_558
O83 Nd2A Nd2A 27.8(4) . 6_558
O1A Nd2A Nd2A 34.4(7) . 6_558
O55 Nd2A Nd2A 155.5(2) . 6_558
O17 Nd2A Nd2A 88.6(2) . 6_558
O2A Nd2A Nd2A 100.8(4) . 6_558
O13 Nd2A Nd2A 113.56(18) . 6_558
C6A Nd2A Nd2A 120.8(3) . 6_558
Nd9 Nd2A Nd2A 58.89(5) . 6_558
Nd1A Nd2A Nd2A 59.36(6) . 6_558
O33 Nd2A Nd6 31.2(2) . .
O83 Nd2A Nd6 102.4(4) . .
O1A Nd2A Nd6 109.3(6) . .
O55 Nd2A Nd6 89.3(2) . .
O17 Nd2A Nd6 158.0(2) . .
O2A Nd2A Nd6 114.4(5) . .
O13 Nd2A Nd6 38.68(17) . .
C6A Nd2A Nd6 92.6(3) . .
Nd9 Nd2A Nd6 61.52(6) . .
Nd1A Nd2A Nd6 138.17(13) . .
Nd2A Nd2A Nd6 109.08(5) 6_558 .
O16 Nd3 O25 119.6(3) . .
O16 Nd3 O47 134.5(3) . .
O25 Nd3 O47 73.8(4) . .
O16 Nd3 O22 70.9(3) . 6_558
O25 Nd3 O22 144.3(3) . 6_558
O47 Nd3 O22 76.3(4) . 6_558
O16 Nd3 O62 67.9(3) . .
O25 Nd3 O62 133.2(3) . .
O47 Nd3 O62 137.3(3) . .
O22 Nd3 O62 82.4(3) 6_558 .
O16 Nd3 O54 131.8(3) . .
O25 Nd3 O54 108.1(3) . .
O47 Nd3 O54 63.9(3) . .
O22 Nd3 O54 74.7(3) 6_558 .
O62 Nd3 O54 75.1(3) . .
O16 Nd3 O12 73.2(2) . .
O25 Nd3 O12 70.0(3) . .
O47 Nd3 O12 72.1(3) . .
O22 Nd3 O12 82.7(2) 6_558 .
O62 Nd3 O12 141.1(3) . .
O54 Nd3 O12 134.0(3) . .
O16 Nd3 O53 68.8(3) . .
O25 Nd3 O53 66.3(3) . .
O47 Nd3 O53 140.0(4) . .
O22 Nd3 O53 139.1(3) 6_558 .
O62 Nd3 O53 77.0(3) . .
O54 Nd3 O53 131.1(3) . .
O12 Nd3 O53 91.6(2) . .
O16 Nd3 O70 124.2(3) . 6_558
O25 Nd3 O70 70.7(3) . 6_558
O47 Nd3 O70 101.3(3) . 6_558
O22 Nd3 O70 135.0(3) 6_558 6_558
O62 Nd3 O70 69.3(3) . 6_558
O54 Nd3 O70 64.8(3) . 6_558
O12 Nd3 O70 140.3(3) . 6_558
O53 Nd3 O70 68.1(3) . 6_558
O16 Nd3 Ni15 33.85(17) . .
O25 Nd3 Ni15 127.9(2) . .
O47 Nd3 Ni15 157.3(4) . .
O22 Nd3 Ni15 81.06(19) 6_558 .
O62 Nd3 Ni15 35.49(19) . .
O54 Nd3 Ni15 108.8(2) . .
O12 Nd3 Ni15 106.50(18) . .
O53 Nd3 Ni15 61.81(18) . .
O70 Nd3 Ni15 93.70(19) 6_558 .
O16 Nd3 Nd11 34.38(19) . .
O25 Nd3 Nd11 138.81(19) . .
O47 Nd3 Nd11 105.2(3) . .
O22 Nd3 Nd11 36.93(19) 6_558 .
O62 Nd3 Nd11 75.80(19) . .
O54 Nd3 Nd11 107.8(2) . .
O12 Nd3 Nd11 70.73(18) . .
O53 Nd3 Nd11 103.14(19) . .
O70 Nd3 Nd11 145.07(18) 6_558 .
Ni15 Nd3 Nd11 54.88(3) . .
O73 Nd4 O23 74.9(3) . .
O73 Nd4 O45 77.3(3) . .
O23 Nd4 O45 73.0(3) . .
O73 Nd4 O5 71.0(3) . .
O23 Nd4 O5 131.9(3) . .
O45 Nd4 O5 67.3(3) . .
O73 Nd4 O55 69.1(3) . .
O23 Nd4 O55 67.3(3) . .
O45 Nd4 O55 133.1(3) . .
O5 Nd4 O55 126.3(3) . .
O73 Nd4 O17 72.0(3) . .
O23 Nd4 O17 130.3(3) . .
O45 Nd4 O17 131.7(3) . .
O5 Nd4 O17 67.8(3) . .
O55 Nd4 O17 66.7(3) . .
O73 Nd4 O12W 137.0(3) . .
O23 Nd4 O12W 134.5(3) . .
O45 Nd4 O12W 134.2(3) . .
O5 Nd4 O12W 93.2(3) . .
O55 Nd4 O12W 92.3(3) . .
O17 Nd4 O12W 65.0(3) . .
O73 Nd4 O77 132.9(3) . .
O23 Nd4 O77 67.2(3) . .
O45 Nd4 O77 115.0(3) . .
O5 Nd4 O77 156.0(3) . .
O55 Nd4 O77 71.1(3) . .
O17 Nd4 O77 113.2(3) . .
O12W Nd4 O77 67.8(3) . .
O73 Nd4 O8 133.9(3) . .
O23 Nd4 O8 116.1(3) . .
O45 Nd4 O8 65.6(3) . .
O5 Nd4 O8 70.1(3) . .
O55 Nd4 O8 156.8(3) . .
O17 Nd4 O8 113.6(3) . .
O12W Nd4 O8 68.8(3) . .
O77 Nd4 O8 88.9(3) . .
O73 Nd4 Nd2 49.66(19) . .
O23 Nd4 Nd2 93.5(2) . .
O45 Nd4 Nd2 126.88(18) . .
O5 Nd4 Nd2 89.40(19) . .
O55 Nd4 Nd2 37.00(19) . .
O17 Nd4 Nd2 36.92(19) . .
O12W Nd4 Nd2 92.0(2) . .
O77 Nd4 Nd2 105.1(3) . .
O8 Nd4 Nd2 150.34(19) . .
O73 Nd4 Nd5 58.82(19) . .
O23 Nd4 Nd5 97.82(18) . .
O45 Nd4 Nd5 36.04(19) . .
O5 Nd4 Nd5 35.01(17) . .
O55 Nd4 Nd5 127.95(19) . .
O17 Nd4 Nd5 95.6(2) . .
O12W Nd4 Nd5 125.4(2) . .
O77 Nd4 Nd5 150.8(3) . .
O8 Nd4 Nd5 75.12(18) . .
Nd2 Nd4 Nd5 100.57(2) . .
O73 Nd4 Nd7 58.38(19) . .
O23 Nd4 Nd7 34.4(2) . .
O45 Nd4 Nd7 98.65(18) . .
O5 Nd4 Nd7 129.33(19) . .
O55 Nd4 Nd7 35.51(19) . .
O17 Nd4 Nd7 96.04(19) . .
O12W Nd4 Nd7 124.0(2) . .
O77 Nd4 Nd7 74.6(3) . .
O8 Nd4 Nd7 150.04(19) . .
Nd2 Nd4 Nd7 59.56(2) . .
Nd5 Nd4 Nd7 107.74(2) . .
O5 Nd5 O45 69.9(3) . .
O5 Nd5 O25 156.5(3) . .
O45 Nd5 O25 119.2(3) . .
O5 Nd5 O41 73.2(3) . .
O45 Nd5 O41 70.5(3) . .
O25 Nd5 O41 129.6(3) . .
O5 Nd5 O72 78.0(4) . .
O45 Nd5 O72 130.7(3) . .
O25 Nd5 O72 80.5(4) . .
O41 Nd5 O72 133.6(3) . .
O5 Nd5 O34 73.2(3) . .
O45 Nd5 O34 135.2(3) . .
O25 Nd5 O34 104.7(3) . .
O41 Nd5 O34 75.3(3) . .
O72 Nd5 O34 61.8(3) . .
O5 Nd5 O7 134.0(3) . .
O45 Nd5 O7 67.8(3) . .
O25 Nd5 O7 65.7(3) . .
O41 Nd5 O7 76.3(3) . .
O72 Nd5 O7 145.9(4) . .
O34 Nd5 O7 130.0(3) . .
O5 Nd5 O12 96.3(3) . .
O45 Nd5 O12 74.9(3) . .
O25 Nd5 O12 68.0(2) . .
O41 Nd5 O12 145.3(3) . .
O72 Nd5 O12 72.6(3) . .
O34 Nd5 O12 134.4(3) . .
O7 Nd5 O12 89.6(2) . .
O5 Nd5 O6 128.2(3) . .
O45 Nd5 O6 124.6(3) . .
O25 Nd5 O6 66.8(2) . .
O41 Nd5 O6 68.7(3) . .
O72 Nd5 O6 104.6(3) . .
O34 Nd5 O6 64.2(3) . .
O7 Nd5 O6 67.4(2) . .
O12 Nd5 O6 134.5(2) . .
O5 Nd5 Ni22 73.4(2) . .
O45 Nd5 Ni22 35.13(19) . .
O25 Nd5 Ni22 127.4(2) . .
O41 Nd5 Ni22 36.26(19) . .
O72 Nd5 Ni22 151.4(3) . .
O34 Nd5 Ni22 109.7(2) . .
O7 Nd5 Ni22 61.72(18) . .
O12 Nd5 Ni22 109.25(17) . .
O6 Nd5 Ni22 94.06(17) . .
O5 Nd5 Nd1A 40.1(2) . .
O45 Nd5 Nd1A 99.27(19) . .
O25 Nd5 Nd1A 117.2(2) . .
O41 Nd5 Nd1A 108.5(2) . .
O72 Nd5 Nd1A 38.5(3) . .
O34 Nd5 Nd1A 65.3(2) . .
O7 Nd5 Nd1A 164.37(19) . .
O12 Nd5 Nd1A 78.20(17) . .
O6 Nd5 Nd1A 128.21(17) . .
Ni22 Nd5 Nd1A 112.99(6) . .
O5 Nd5 Nd4 36.77(19) . .
O45 Nd5 Nd4 37.07(19) . .
O25 Nd5 Nd4 139.5(2) . .
O41 Nd5 Nd4 80.32(19) . .
O72 Nd5 Nd4 97.5(3) . .
O34 Nd5 Nd4 109.8(2) . .
O7 Nd5 Nd4 104.81(19) . .
O12 Nd5 Nd4 72.83(17) . .
O6 Nd5 Nd4 148.98(16) . .
Ni22 Nd5 Nd4 57.99(3) . .
Nd1A Nd5 Nd4 62.44(3) . .
O33 Nd6 O20 69.1(3) . .
O33 Nd6 O14 76.8(3) . .
O20 Nd6 O14 69.9(3) . .
O33 Nd6 O39 152.3(3) . .
O20 Nd6 O39 121.8(3) . .
O14 Nd6 O39 130.2(3) . .
O33 Nd6 O13 74.6(3) . .
O20 Nd6 O13 126.8(3) . .
O14 Nd6 O13 136.1(3) . .
O39 Nd6 O13 79.5(3) . .
O33 Nd6 O32 136.5(3) . .
O20 Nd6 O32 70.4(3) . .
O14 Nd6 O32 75.2(3) . .
O39 Nd6 O32 66.8(3) . .
O13 Nd6 O32 145.6(3) . .
O33 Nd6 O58 73.1(3) . .
O20 Nd6 O58 134.0(3) . .
O14 Nd6 O58 76.8(3) . .
O39 Nd6 O58 103.9(3) . .
O13 Nd6 O58 63.4(3) . .
O32 Nd6 O58 130.0(3) . .
O33 Nd6 O50 94.1(3) . .
O20 Nd6 O50 73.2(3) . .
O14 Nd6 O50 142.9(3) . .
O39 Nd6 O50 68.3(3) . .
O13 Nd6 O50 72.0(3) . .
O32 Nd6 O50 88.8(3) . .
O58 Nd6 O50 135.4(3) . .
O33 Nd6 O26 128.8(3) . .
O20 Nd6 O26 127.1(3) . .
O14 Nd6 O26 68.7(3) . .
O39 Nd6 O26 68.0(3) . .
O13 Nd6 O26 105.9(3) . .
O32 Nd6 O26 68.3(3) . .
O58 Nd6 O26 63.2(3) . .
O50 Nd6 O26 135.8(2) . .
O33 Nd6 Ni23 74.5(2) . .
O20 Nd6 Ni23 35.30(19) . .
O14 Nd6 Ni23 35.39(19) . .
O39 Nd6 Ni23 130.14(19) . .
O13 Nd6 Ni23 149.0(2) . .
O32 Nd6 Ni23 63.37(19) . .
O58 Nd6 Ni23 109.51(18) . .
O50 Nd6 Ni23 107.54(19) . .
O26 Nd6 Ni23 95.55(18) . .
O33 Nd6 Nd9 36.97(19) . .
O20 Nd6 Nd9 35.11(19) . .
O14 Nd6 Nd9 80.52(19) . .
O39 Nd6 Nd9 139.30(19) . .
O13 Nd6 Nd9 95.4(2) . .
O32 Nd6 Nd9 105.45(19) . .
O58 Nd6 Nd9 109.73(19) . .
O50 Nd6 Nd9 71.72(17) . .
O26 Nd6 Nd9 149.21(17) . .
Ni23 Nd6 Nd9 57.09(4) . .
O33 Nd6 Nd2A 27.9(2) . .
O20 Nd6 Nd2A 92.0(2) . .
O14 Nd6 Nd2A 99.4(2) . .
O39 Nd6 Nd2A 125.75(19) . .
O13 Nd6 Nd2A 46.8(2) . .
O32 Nd6 Nd2A 162.35(19) . .
O58 Nd6 Nd2A 62.87(19) . .
O50 Nd6 Nd2A 85.8(2) . .
O26 Nd6 Nd2A 126.02(19) . .
Ni23 Nd6 Nd2A 102.42(7) . .
Nd9 Nd6 Nd2A 56.90(5) . .
O23 Nd7 O55 69.7(3) . .
O23 Nd7 O68 70.5(3) . .
O55 Nd7 O68 75.0(3) . .
O23 Nd7 O24 121.7(3) . .
O55 Nd7 O24 154.0(3) . .
O68 Nd7 O24 129.8(3) . .
O23 Nd7 O58 135.1(3) . .
O55 Nd7 O58 72.5(3) . .
O68 Nd7 O58 77.0(3) . .
O24 Nd7 O58 102.9(3) . .
O23 Nd7 O48 70.9(3) . .
O55 Nd7 O48 136.7(3) . .
O68 Nd7 O48 75.6(3) . .
O24 Nd7 O48 66.3(3) . .
O58 Nd7 O48 129.4(3) . .
O23 Nd7 O13 127.8(3) . .
O55 Nd7 O13 77.2(3) . .
O68 Nd7 O13 136.8(3) . .
O24 Nd7 O13 78.0(3) . .
O58 Nd7 O13 63.4(3) . .
O48 Nd7 O13 143.7(3) . .
O23 Nd7 O49 128.2(3) . .
O55 Nd7 O49 128.0(3) . .
O68 Nd7 O49 70.0(3) . .
O24 Nd7 O49 66.2(3) . .
O58 Nd7 O49 63.1(3) . .
O48 Nd7 O49 67.8(3) . .
O13 Nd7 O49 103.9(3) . .
O23 Nd7 O44 73.7(3) . .
O55 Nd7 O44 94.5(3) . .
O68 Nd7 O44 144.2(3) . .
O24 Nd7 O44 69.6(2) . .
O58 Nd7 O44 133.2(3) . .
O48 Nd7 O44 91.2(3) . .
O13 Nd7 O44 69.9(3) . .
O49 Nd7 O44 135.6(2) . .
O23 Nd7 Ni21 35.3(2) . .
O55 Nd7 Ni21 74.4(2) . .
O68 Nd7 Ni21 36.19(19) . .
O24 Nd7 Ni21 129.35(19) . .
O58 Nd7 Ni21 110.82(19) . .
O48 Nd7 Ni21 63.1(2) . .
O13 Nd7 Ni21 151.3(2) . .
O49 Nd7 Ni21 96.77(19) . .
O44 Nd7 Ni21 108.13(17) . .
O23 Nd7 Nd2 93.6(2) . .
O55 Nd7 Nd2 35.6(2) . .
O68 Nd7 Nd2 107.81(19) . .
O24 Nd7 Nd2 118.51(18) . .
O58 Nd7 Nd2 67.59(19) . .
O48 Nd7 Nd2 162.4(2) . .
O13 Nd7 Nd2 42.32(19) . .
O49 Nd7 Nd2 129.79(18) . .
O44 Nd7 Nd2 75.98(17) . .
Ni21 Nd7 Nd2 108.96(4) . .
O23 Nd7 Nd4 35.6(2) . .
O55 Nd7 Nd4 36.8(2) . .
O68 Nd7 Nd4 79.23(19) . .
O24 Nd7 Nd4 141.41(19) . .
O58 Nd7 Nd4 109.00(19) . .
O48 Nd7 Nd4 106.5(2) . .
O13 Nd7 Nd4 97.3(2) . .
O49 Nd7 Nd4 149.16(18) . .
O44 Nd7 Nd4 72.80(16) . .
Ni21 Nd7 Nd4 56.56(3) . .
Nd2 Nd7 Nd4 58.42(2) . .
O10 Nd8 O22 98.1(3) . .
O10 Nd8 O22 98.1(3) . 6_558
O22 Nd8 O22 98.3(4) . 6_558
O10 Nd8 O66 159.9(5) . .
O22 Nd8 O66 95.0(3) . .
O22 Nd8 O66 95.0(3) 6_558 .
O10 Nd8 O75 100.6(3) . .
O22 Nd8 O75 154.7(3) . .
O22 Nd8 O75 95.8(3) 6_558 .
O66 Nd8 O75 62.8(4) . .
O10 Nd8 O75 100.6(3) . 6_558
O22 Nd8 O75 95.8(3) . 6_558
O22 Nd8 O75 154.7(3) 6_558 6_558
O66 Nd8 O75 62.8(4) . 6_558
O75 Nd8 O75 64.1(4) . 6_558
O10 Nd8 O40 69.0(2) . 6_558
O22 Nd8 O40 66.7(3) . 6_558
O22 Nd8 O40 157.5(3) 6_558 6_558
O66 Nd8 O40 102.8(2) . 6_558
O75 Nd8 O40 104.6(3) . 6_558
O75 Nd8 O40 47.7(3) 6_558 6_558
O10 Nd8 O40 69.0(2) . .
O22 Nd8 O40 157.5(3) . .
O22 Nd8 O40 66.7(3) 6_558 .
O66 Nd8 O40 102.8(2) . .
O75 Nd8 O40 47.7(3) . .
O75 Nd8 O40 104.6(3) 6_558 .
O40 Nd8 O40 121.3(3) 6_558 .
O10 Nd8 Na1 60.1(3) . .
O22 Nd8 Na1 61.1(2) . .
O22 Nd8 Na1 61.1(2) 6_558 .
O66 Nd8 Na1 139.9(4) . .
O75 Nd8 Na1 144.0(2) . .
O75 Nd8 Na1 144.0(2) 6_558 .
O40 Nd8 Na1 96.39(18) 6_558 .
O40 Nd8 Na1 96.39(18) . .
O74 Nd9 O20 78.4(4) . .
O74 Nd9 O20 78.4(4) . 6_558
O20 Nd9 O20 74.6(4) . 6_558
O74 Nd9 O33 69.7(2) . .
O20 Nd9 O33 67.4(3) . .
O20 Nd9 O33 134.1(3) 6_558 .
O74 Nd9 O33 69.7(2) . 6_558
O20 Nd9 O33 134.1(3) . 6_558
O20 Nd9 O33 67.4(3) 6_558 6_558
O33 Nd9 O33 125.9(4) . 6_558
O74 Nd9 O3 134.4(6) . .
O20 Nd9 O3 133.6(3) . .
O20 Nd9 O3 133.6(3) 6_558 .
O33 Nd9 O3 91.9(2) . .
O33 Nd9 O3 91.9(2) 6_558 .
O74 Nd9 O69 135.1(2) . 6_558
O20 Nd9 O69 115.2(3) . 6_558
O20 Nd9 O69 66.1(3) 6_558 6_558
O33 Nd9 O69 155.0(3) . 6_558
O33 Nd9 O69 71.8(3) 6_558 6_558
O3 Nd9 O69 68.1(3) . 6_558
O74 Nd9 O69 135.1(2) . .
O20 Nd9 O69 66.1(3) . .
O20 Nd9 O69 115.2(3) 6_558 .
O33 Nd9 O69 71.7(3) . .
O33 Nd9 O69 155.0(3) 6_558 .
O3 Nd9 O69 68.1(3) . .
O69 Nd9 O69 86.4(4) 6_558 .
O74 Nd9 O83 69.8(6) . .
O20 Nd9 O83 130.7(3) . .
O20 Nd9 O83 130.7(3) 6_558 .
O33 Nd9 O83 66.7(2) . .
O33 Nd9 O83 66.7(2) 6_558 .
O3 Nd9 O83 64.7(5) . .
O69 Nd9 O83 113.9(3) 6_558 .
O69 Nd9 O83 113.9(3) . .
O74 Nd9 Nd2A 59.8(4) . .
O20 Nd9 Nd2A 96.8(2) . .
O20 Nd9 Nd2A 138.2(2) 6_558 .
O33 Nd9 Nd2A 33.0(2) . .
O33 Nd9 Nd2A 94.7(2) 6_558 .
O3 Nd9 Nd2A 81.8(3) . .
O69 Nd9 Nd2A 146.0(2) 6_558 .
O69 Nd9 Nd2A 97.0(2) . .
O83 Nd9 Nd2A 34.53(15) . .
O74 Nd9 Nd2A 59.8(4) . 6_558
O20 Nd9 Nd2A 138.2(2) . 6_558
O20 Nd9 Nd2A 96.8(2) 6_558 6_558
O33 Nd9 Nd2A 94.7(2) . 6_558
O33 Nd9 Nd2A 33.0(2) 6_558 6_558
O3 Nd9 Nd2A 81.8(3) . 6_558
O69 Nd9 Nd2A 97.0(2) 6_558 6_558
O69 Nd9 Nd2A 146.0(2) . 6_558
O83 Nd9 Nd2A 34.53(15) . 6_558
Nd2A Nd9 Nd2A 62.23(11) . 6_558
O74 Nd9 Nd6 60.21(16) . .
O20 Nd9 Nd6 35.3(2) . .
O20 Nd9 Nd6 100.22(19) 6_558 .
O33 Nd9 Nd6 35.04(18) . .
O33 Nd9 Nd6 129.85(19) 6_558 .
O3 Nd9 Nd6 123.49(7) . .
O69 Nd9 Nd6 149.8(2) 6_558 .
O69 Nd9 Nd6 75.1(2) . .
O83 Nd9 Nd6 95.5(2) . .
Nd2A Nd9 Nd6 61.58(6) . .
Nd2A Nd9 Nd6 111.77(7) 6_558 .
O4 Nd10 O39 122.5(3) . .
O4 Nd10 O50 73.7(3) . .
O39 Nd10 O50 71.2(3) . .
O4 Nd10 O29 68.6(3) . .
O39 Nd10 O29 132.8(3) . .
O50 Nd10 O29 142.2(3) . .
O4 Nd10 O11 68.3(3) . .
O39 Nd10 O11 67.5(3) . .
O50 Nd10 O11 89.7(3) . .
O29 Nd10 O11 78.7(2) . .
O4 Nd10 O10 69.6(3) . .
O39 Nd10 O10 145.2(3) . .
O50 Nd10 O10 83.6(3) . .
O29 Nd10 O10 81.5(3) . .
O11 Nd10 O10 137.6(3) . .
O4 Nd10 O15 131.8(3) . .
O39 Nd10 O15 105.2(3) . .
O50 Nd10 O15 133.7(3) . .
O29 Nd10 O15 74.6(2) . .
O11 Nd10 O15 132.9(3) . .
O10 Nd10 O15 75.2(3) . .
O4 Nd10 O40 131.0(3) . .
O39 Nd10 O40 75.8(3) . .
O50 Nd10 O40 71.0(3) . .
O29 Nd10 O40 135.5(3) . .
O11 Nd10 O40 142.4(3) . .
O10 Nd10 O40 73.5(3) . .
O15 Nd10 O40 63.8(3) . .
O4 Nd10 O27 124.4(3) . .
O39 Nd10 O27 68.0(3) . .
O50 Nd10 O27 138.6(3) . .
O29 Nd10 O27 69.7(3) . .
O11 Nd10 O27 68.9(3) . .
O10 Nd10 O27 136.0(3) . .
O15 Nd10 O27 65.7(2) . .
O40 Nd10 O27 104.6(3) . .
O4 Nd10 Ni19 34.4(2) . .
O39 Nd10 Ni19 129.76(19) . .
O50 Nd10 Ni19 107.5(2) . .
O29 Nd10 Ni19 35.68(18) . .
O11 Nd10 Ni19 62.30(19) . .
O10 Nd10 Ni19 80.0(2) . .
O15 Nd10 Ni19 108.56(18) . .
O40 Nd10 Ni19 153.5(2) . .
O27 Nd10 Ni19 93.65(18) . .
O4 Nd10 Nd10 33.7(2) . 6_558
O39 Nd10 Nd10 140.88(19) . 6_558
O50 Nd10 Nd10 71.21(18) . 6_558
O29 Nd10 Nd10 76.26(18) . 6_558
O11 Nd10 Nd10 101.96(19) . 6_558
O10 Nd10 Nd10 36.5(2) . 6_558
O15 Nd10 Nd10 108.32(18) . 6_558
O40 Nd10 Nd10 101.6(2) . 6_558
O27 Nd10 Nd10 145.82(18) . 6_558
Ni19 Nd10 Nd10 54.98(2) . 6_558
O4 Nd10 Nd6 101.8(2) . .
O39 Nd10 Nd6 34.29(18) . .
O50 Nd10 Nd6 37.05(18) . .
O29 Nd10 Nd6 156.75(18) . .
O11 Nd10 Nd6 78.07(17) . .
O10 Nd10 Nd6 115.9(2) . .
O15 Nd10 Nd6 123.05(17) . .
O40 Nd10 Nd6 67.03(19) . .
O27 Nd10 Nd6 102.24(18) . .
Ni19 Nd10 Nd6 128.14(4) . .
Nd10 Nd10 Nd6 108.013(14) 6_558 .
O16 Nd11 O24 120.5(3) . .
O16 Nd11 O28 69.8(3) . .
O24 Nd11 O28 131.9(3) . .
O16 Nd11 O22 71.4(3) . 6_558
O24 Nd11 O22 143.5(3) . 6_558
O28 Nd11 O22 84.3(3) . 6_558
O16 Nd11 O40 130.9(3) . .
O24 Nd11 O40 76.2(3) . .
O28 Nd11 O40 136.1(3) . .
O22 Nd11 O40 71.9(3) 6_558 .
O16 Nd11 O35 68.4(3) . .
O24 Nd11 O35 67.7(3) . .
O28 Nd11 O35 76.1(3) . .
O22 Nd11 O35 139.2(3) 6_558 .
O40 Nd11 O35 143.5(3) . .
O16 Nd11 O15 132.6(3) . .
O24 Nd11 O15 106.5(3) . .
O28 Nd11 O15 74.5(2) . .
O22 Nd11 O15 75.0(3) 6_558 .
O40 Nd11 O15 64.0(3) . .
O35 Nd11 O15 130.8(3) . .
O16 Nd11 O44 72.6(2) . .
O24 Nd11 O44 71.6(2) . .
O28 Nd11 O44 142.3(2) . .
O22 Nd11 O44 81.3(3) 6_558 .
O40 Nd11 O44 70.7(3) . .
O35 Nd11 O44 92.8(3) . .
O15 Nd11 O44 133.3(2) . .
O16 Nd11 O56 125.6(3) . .
O24 Nd11 O56 68.8(2) . .
O28 Nd11 O56 69.0(2) . .
O22 Nd11 O56 135.9(2) 6_558 .
O40 Nd11 O56 103.4(3) . .
O35 Nd11 O56 68.4(3) . .
O15 Nd11 O56 64.6(3) . .
O44 Nd11 O56 140.2(2) . .
O16 Nd11 Ni15 34.40(18) . .
O24 Nd11 Ni15 128.50(19) . .
O28 Nd11 Ni15 36.67(18) . .
O22 Nd11 Ni15 82.00(18) 6_558 .
O40 Nd11 Ni15 153.9(2) . .
O35 Nd11 Ni15 60.98(18) . .
O15 Nd11 Ni15 109.12(17) . .
O44 Nd11 Ni15 106.51(17) . .
O56 Nd11 Ni15 94.76(17) . .
O16 Nd11 Nd3 34.65(18) . .
O24 Nd11 Nd3 139.27(18) . .
O28 Nd11 Nd3 78.10(19) . .
O22 Nd11 Nd3 37.19(18) 6_558 .
O40 Nd11 Nd3 101.0(2) . .
O35 Nd11 Nd3 103.02(18) . .
O15 Nd11 Nd3 108.38(18) . .
O44 Nd11 Nd3 69.37(17) . .
O56 Nd11 Nd3 147.12(17) . .
Ni15 Nd11 Nd3 55.74(3) . .
O16 Nd11 Nd7 99.90(18) . .
O24 Nd11 Nd7 33.44(18) . .
O28 Nd11 Nd7 154.60(19) . .
O22 Nd11 Nd7 115.20(18) 6_558 .
O40 Nd11 Nd7 68.4(2) . .
O35 Nd11 Nd7 78.50(18) . .
O15 Nd11 Nd7 124.57(17) . .
O44 Nd11 Nd7 38.18(17) . .
O56 Nd11 Nd7 102.24(17) . .
Ni15 Nd11 Nd7 125.97(3) . .
Nd3 Nd11 Nd7 107.05(2) . .
O54 Ni12 O70 84.2(3) . .
O54 Ni12 O70 84.2(3) . 6_558
O70 Ni12 O70 83.9(5) . 6_558
O54 Ni12 O46 98.5(3) . 6_558
O70 Ni12 O46 92.5(3) . 6_558
O70 Ni12 O46 175.3(3) 6_558 6_558
O54 Ni12 O46 98.5(3) . .
O70 Ni12 O46 175.3(3) . .
O70 Ni12 O46 92.5(3) 6_558 .
O46 Ni12 O46 91.0(5) 6_558 .
O54 Ni12 N10 162.5(5) . .
O70 Ni12 N10 82.8(4) . .
O70 Ni12 N10 82.8(4) 6_558 .
O46 Ni12 N10 93.8(3) 6_558 .
O46 Ni12 N10 93.8(3) . .
O15 Ni13 O63 97.6(3) . .
O15 Ni13 O19 99.1(3) . .
O63 Ni13 O19 92.1(3) . .
O15 Ni13 O56 83.7(3) . .
O63 Ni13 O56 91.3(3) . .
O19 Ni13 O56 175.3(3) . .
O15 Ni13 O27 85.2(3) . .
O63 Ni13 O27 174.3(4) . .
O19 Ni13 O27 92.3(3) . .
O56 Ni13 O27 84.1(3) . .
O15 Ni13 N7 161.9(4) . .
O63 Ni13 N7 94.5(4) . .
O19 Ni13 N7 93.8(4) . .
O56 Ni13 N7 82.7(4) . .
O27 Ni13 N7 81.6(4) . .
O34 Ni14 O6 85.1(3) . 6_558
O34 Ni14 O6 85.1(3) . .
O6 Ni14 O6 85.5(4) 6_558 .
O34 Ni14 O30 98.8(3) . 6_558
O6 Ni14 O30 89.0(3) 6_558 6_558
O6 Ni14 O30 172.9(3) . 6_558
O34 Ni14 O30 98.8(3) . .
O6 Ni14 O30 172.9(3) 6_558 .
O6 Ni14 O30 89.0(3) . .
O30 Ni14 O30 96.2(5) 6_558 .
O34 Ni14 N9 161.8(5) . .
O6 Ni14 N9 81.6(4) 6_558 .
O6 Ni14 N9 81.6(4) . .
O30 Ni14 N9 93.3(3) 6_558 .
O30 Ni14 N9 93.3(3) . .
O16 Ni15 O51 96.4(3) . .
O16 Ni15 O36 94.7(3) . .
O51 Ni15 O36 84.4(3) . .
O16 Ni15 O62 84.6(3) . .
O51 Ni15 O62 178.9(3) . .
O36 Ni15 O62 95.0(3) . .
O16 Ni15 N4 160.8(4) . .
O51 Ni15 N4 97.9(4) . .
O36 Ni15 N4 99.3(4) . .
O62 Ni15 N4 81.2(4) . .
O16 Ni15 O28 84.6(3) . .
O51 Ni15 O28 94.1(3) . .
O36 Ni15 O28 178.4(3) . .
O62 Ni15 O28 86.5(3) . .
N4 Ni15 O28 81.7(3) . .
O16 Ni15 Nd11 42.3(2) . .
O51 Ni15 Nd11 87.8(2) . .
O36 Ni15 Nd11 135.1(2) . .
O62 Ni15 Nd11 93.3(2) . .
N4 Ni15 Nd11 125.7(3) . .
O28 Ni15 Nd11 44.0(2) . .
O16 Ni15 Nd3 41.9(2) . .
O51 Ni15 Nd3 136.3(2) . .
O36 Ni15 Nd3 86.5(2) . .
O62 Ni15 Nd3 44.5(2) . .
N4 Ni15 Nd3 125.7(3) . .
O28 Ni15 Nd3 94.0(2) . .
Nd11 Ni15 Nd3 69.38(3) . .
O60 Ni16 O11 174.1(3) . .
O60 Ni16 O32 88.7(3) . .
O11 Ni16 O32 97.0(3) . .
O60 Ni16 O18 87.8(3) . .
O11 Ni16 O18 86.4(3) . .
O32 Ni16 O18 174.8(3) . .
O60 Ni16 O39 98.8(3) . .
O11 Ni16 O39 83.3(3) . .
O32 Ni16 O39 84.2(3) . .
O18 Ni16 O39 100.1(3) . .
O60 Ni16 N1 96.4(4) . .
O11 Ni16 N1 83.0(4) . .
O32 Ni16 N1 82.7(3) . .
O18 Ni16 N1 93.8(4) . .
O39 Ni16 N1 159.8(4) . .
O53 Ni17 O7 97.9(3) . .
O53 Ni17 O43 172.5(3) . .
O7 Ni17 O43 87.8(3) . .
O53 Ni17 O42 87.7(3) . 6_558
O7 Ni17 O42 173.9(4) . 6_558
O43 Ni17 O42 86.4(4) . 6_558
O53 Ni17 O25 83.8(3) . .
O7 Ni17 O25 82.6(3) . .
O43 Ni17 O25 101.8(3) . .
O42 Ni17 O25 100.2(3) 6_558 .
O53 Ni17 N6 83.0(4) . .
O7 Ni17 N6 81.4(4) . .
O43 Ni17 N6 93.1(4) . .
O42 Ni17 N6 97.3(4) 6_558 .
O25 Ni17 N6 157.6(4) . .
O58 Ni18 O26 84.5(3) . .
O58 Ni18 O49 83.6(3) . .
O26 Ni18 O49 85.2(3) . .
O58 Ni18 O38 96.2(3) . .
O26 Ni18 O38 89.1(3) . .
O49 Ni18 O38 174.3(3) . .
O58 Ni18 N11 161.3(4) . .
O26 Ni18 N11 81.8(4) . .
O49 Ni18 N11 82.6(4) . .
O38 Ni18 N11 96.3(4) . .
O58 Ni18 O21 100.5(3) . .
O26 Ni18 O21 170.6(3) . .
O49 Ni18 O21 87.4(3) . .
O38 Ni18 O21 98.2(3) . .
N11 Ni18 O21 91.4(4) . .
O4 Ni19 O31 95.3(3) . .
O4 Ni19 O31 95.3(3) . 6_558
O31 Ni19 O31 84.5(5) . 6_558
O4 Ni19 O29 84.8(3) . .
O31 Ni19 O29 94.6(3) . .
O31 Ni19 O29 179.1(3) 6_558 .
O4 Ni19 O29 84.8(3) . 6_558
O31 Ni19 O29 179.1(3) . 6_558
O31 Ni19 O29 94.6(3) 6_558 6_558
O29 Ni19 O29 86.3(4) . 6_558
O4 Ni19 N12 161.2(5) . .
O31 Ni19 N12 98.6(4) . .
O31 Ni19 N12 98.6(4) 6_558 .
O29 Ni19 N12 81.5(3) . .
O29 Ni19 N12 81.5(3) 6_558 .
O4 Ni19 Nd10 42.13(16) . .
O31 Ni19 Nd10 86.4(2) . .
O31 Ni19 Nd10 135.2(2) 6_558 .
O29 Ni19 Nd10 44.7(2) . .
O29 Ni19 Nd10 94.2(2) 6_558 .
N12 Ni19 Nd10 126.2(3) . .
O4 Ni19 Nd10 42.13(16) . 6_558
O31 Ni19 Nd10 135.2(2) . 6_558
O31 Ni19 Nd10 86.4(2) 6_558 6_558
O29 Ni19 Nd10 94.2(2) . 6_558
O29 Ni19 Nd10 44.7(2) 6_558 6_558
N12 Ni19 Nd10 126.2(3) . 6_558
Nd10 Ni19 Nd10 70.04(5) . 6_558
O48 Ni20 O52 89.1(4) . .
O48 Ni20 O35 97.3(3) . .
O52 Ni20 O35 172.6(3) . .
O48 Ni20 O37 174.9(4) . .
O52 Ni20 O37 86.2(4) . .
O35 Ni20 O37 87.4(3) . .
O48 Ni20 O24 82.7(3) . .
O52 Ni20 O24 100.5(3) . .
O35 Ni20 O24 84.1(3) . .
O37 Ni20 O24 99.9(3) . .
O48 Ni20 N2 83.1(4) . .
O52 Ni20 N2 94.1(4) . .
O35 Ni20 N2 83.0(4) . .
O37 Ni20 N2 95.5(4) . .
O24 Ni20 N2 159.4(4) . .
O67 Ni21 O23 82.9(6) . .
O67 Ni21 N8 105.4(6) . .
O23 Ni21 N8 164.5(4) . .
O67 Ni21 O77 74.1(7) . .
O23 Ni21 O77 86.7(4) . .
N8 Ni21 O77 83.1(4) . .
O67 Ni21 O68 159.2(6) . .
O23 Ni21 O68 86.1(3) . .
N8 Ni21 O68 81.8(4) . .
O77 Ni21 O68 87.8(4) . .
O67 Ni21 O61 106.4(6) . .
O23 Ni21 O61 96.0(3) . .
N8 Ni21 O61 94.1(4) . .
O77 Ni21 O61 177.3(4) . .
O68 Ni21 O61 92.2(4) . .
O67 Ni21 Nd7 125.7(6) . .
O23 Ni21 Nd7 43.0(2) . .
N8 Ni21 Nd7 126.1(3) . .
O77 Ni21 Nd7 94.4(3) . .
O68 Ni21 Nd7 44.3(2) . .
O61 Ni21 Nd7 87.5(3) . .
O79 Ni22 O8 93.0(5) . .
O79 Ni22 O59 85.4(5) . .
O8 Ni22 O59 178.1(4) . .
O79 Ni22 O45 105.0(4) . .
O8 Ni22 O45 85.4(3) . .
O59 Ni22 O45 94.2(3) . .
O79 Ni22 N3 89.3(5) . .
O8 Ni22 N3 83.3(4) . .
O59 Ni22 N3 97.6(4) . .
O45 Ni22 N3 162.2(4) . .
O79 Ni22 O41 169.2(4) . .
O8 Ni22 O41 88.2(3) . .
O59 Ni22 O41 93.6(3) . .
O45 Ni22 O41 85.8(3) . .
N3 Ni22 O41 80.1(4) . .
O79 Ni22 Nd5 146.6(4) . .
O8 Ni22 Nd5 93.7(2) . .
O59 Ni22 Nd5 87.2(3) . .
O45 Ni22 Nd5 43.2(2) . .
N3 Ni22 Nd5 124.0(3) . .
O41 Ni22 Nd5 43.9(2) . .
O69 Ni23 O20 84.7(4) . .
O69 Ni23 O14 90.9(4) . .
O20 Ni23 O14 86.7(3) . .
O69 Ni23 O57 176.4(4) . .
O20 Ni23 O57 93.2(3) . .
O14 Ni23 O57 91.8(3) . .
O69 Ni23 N5 81.8(4) . .
O20 Ni23 N5 160.9(4) . .
O14 Ni23 N5 80.2(4) . .
O57 Ni23 N5 100.9(4) . .
O69 Ni23 O1W 92.8(5) . .
O20 Ni23 O1W 102.9(5) . .
O14 Ni23 O1W 170.0(5) . .
O57 Ni23 O1W 84.8(5) . .
N5 Ni23 O1W 91.2(6) . .
O69 Ni23 Nd6 94.4(3) . .
O20 Ni23 Nd6 43.7(2) . .
O14 Ni23 Nd6 44.0(2) . .
O57 Ni23 Nd6 86.0(2) . .
N5 Ni23 Nd6 124.1(3) . .
O1W Ni23 Nd6 144.6(4) . .
O84 Ni24 O84 180.0(7) . 5_668
O84 Ni24 O8W 90.000(1) . .
O84 Ni24 O8W 90.000(1) 5_668 .
O84 Ni24 O8W 90.000(1) . 5_668
O84 Ni24 O8W 90.000(1) 5_668 5_668
O8W Ni24 O8W 180.0 . 5_668
O84 Ni24 O86 56.7(7) . .
O84 Ni24 O86 123.3(7) 5_668 .
O8W Ni24 O86 90.000(9) . .
O8W Ni24 O86 90.000(9) 5_668 .
O84 Ni24 O86 123.3(7) . 5_668
O84 Ni24 O86 56.7(7) 5_668 5_668
O8W Ni24 O86 90.000(9) . 5_668
O8W Ni24 O86 90.000(10) 5_668 5_668
O86 Ni24 O86 180.0(7) . 5_668
Nd1 O1 Nd2 111.2(4) . .
Nd1 O1 Nd2 111.2(4) . 6_558
Nd2 O1 Nd2 103.9(6) . 6_558
C6A O2 Nd2 133.9(11) . .
Nd2A O1A Nd2A 111.1(13) . 6_558
Nd2A O1A Nd1A 106.8(6) . .
Nd2A O1A Nd1A 106.8(6) 6_558 .
C6A O2A Nd2A 104.2(11) . .
C203 O3 Nd9 162.4(13) . .
Ni19 O4 Nd10 103.5(3) . .
Ni19 O4 Nd10 103.5(3) . 6_558
Nd10 O4 Nd10 112.6(4) . 6_558
Nd1 O5 Nd5 122.2(3) . .
Nd1 O5 Nd4 110.8(3) . .
Nd5 O5 Nd4 108.2(3) . .
Nd5 O5 Nd1A 102.8(3) . .
Nd4 O5 Nd1A 107.0(3) . .
C34 O6 Ni14 117.2(8) . .
C34 O6 Nd5 140.9(8) . .
Ni14 O6 Nd5 100.7(3) . .
C21 O7 Ni17 114.3(8) . .
C21 O7 Nd5 139.5(8) . .
Ni17 O7 Nd5 103.4(3) . .
C10 O8 Ni22 116.1(8) . .
C10 O8 Nd4 141.3(8) . .
Ni22 O8 Nd4 101.6(3) . .
Nd8 O10 Nd10 117.2(3) . .
Nd8 O10 Nd10 117.2(3) . 6_558
Nd10 O10 Nd10 107.1(4) . 6_558
C2 O11 Ni16 114.0(8) . .
C2 O11 Nd10 139.3(8) . .
Ni16 O11 Nd10 103.9(3) . .
C5A O12 Nd3 136.5(7) . .
C5A O12 Nd5 116.2(6) . .
Nd3 O12 Nd5 107.0(3) . .
C2A O13 Nd6 121.3(7) . .
C2A O13 Nd7 118.8(7) . .
Nd6 O13 Nd7 111.8(3) . .
C2A O13 Nd2 97.6(7) . .
Nd6 O13 Nd2 103.8(3) . .
Nd7 O13 Nd2 97.2(3) . .
C2A O13 Nd2A 106.6(7) . .
Nd6 O13 Nd2A 94.5(3) . .
Nd7 O13 Nd2A 96.7(3) . .
C19 O14 Ni23 118.9(8) . .
C19 O14 Nd6 140.0(8) . .
Ni23 O14 Nd6 100.6(3) . .
Ni13 O15 Nd10 105.0(3) . .
Ni13 O15 Nd11 105.7(3) . .
Nd10 O15 Nd11 112.0(3) . .
Ni15 O16 Nd11 103.3(3) . .
Ni15 O16 Nd3 104.2(3) . .
Nd11 O16 Nd3 111.0(3) . .
Nd2 O17 Nd1 111.2(4) . .
Nd2 O17 Nd4 102.7(3) . .
Nd1 O17 Nd4 108.9(3) . .
Nd2A O17 Nd4 108.1(3) . .
Nd2A O17 Nd1A 99.8(3) . .
Nd4 O17 Nd1A 104.1(3) . .
C27 O18 Ni16 121.9(8) . .
C40 O19 Ni13 123.2(8) . .
Ni23 O20 Nd9 106.4(3) . .
Ni23 O20 Nd6 101.0(3) . .
Nd9 O20 Nd6 109.6(3) . .
C32 O21 Ni18 124.2(8) . .
Nd8 O22 Nd11 119.1(3) . 6_558
Nd8 O22 Nd3 118.8(3) . 6_558
Nd11 O22 Nd3 105.9(3) 6_558 6_558
Ni21 O23 Nd7 101.7(3) . .
Ni21 O23 Nd4 103.8(3) . .
Nd7 O23 Nd4 110.0(3) . .
Ni20 O24 Nd11 103.5(3) . .
Ni20 O24 Nd7 104.4(3) . .
Nd11 O24 Nd7 113.4(3) . .
Ni17 O25 Nd3 104.3(3) . .
Ni17 O25 Nd5 106.5(3) . .
Nd3 O25 Nd5 114.7(3) . .
C4A O26 Ni18 117.6(9) . .
C4A O26 Nd6 140.4(8) . .
Ni18 O26 Nd6 101.8(3) . .
C27 O27 Ni13 115.6(7) . .
C27 O27 Nd10 143.1(8) . .
Ni13 O27 Nd10 100.1(3) . .
C13 O28 Ni15 115.6(8) . .
C13 O28 Nd11 143.4(8) . .
Ni15 O28 Nd11 99.4(3) . .
C40 O29 Ni19 117.4(8) . .
C40 O29 Nd10 140.7(8) . .
Ni19 O29 Nd10 99.6(3) . .
C11A O30 Ni14 123.5(8) . .
C2 O31 Ni19 124.2(8) . .
C3 O32 Ni16 114.9(8) . .
C3 O32 Nd6 140.6(8) . .
Ni16 O32 Nd6 104.3(3) . .
Nd2A O33 Nd6 121.0(4) . .
Nd6 O33 Nd2 111.0(3) . .
Nd2A O33 Nd9 107.8(3) . .
Nd6 O33 Nd9 108.0(3) . .
Nd2 O33 Nd9 108.5(3) . .
Ni14 O34 Nd5 106.0(3) . .
Ni14 O34 Nd5 106.0(3) . 6_558
Nd5 O34 Nd5 112.8(4) . 6_558
C8 O35 Ni20 115.0(8) . .
C8 O35 Nd11 141.0(8) . .
Ni20 O35 Nd11 103.2(3) . .
C24 O36 Ni15 123.4(8) . .
C25 O37 Ni20 121.6(9) . .
C19 O38 Ni18 125.9(8) . .
Ni16 O39 Nd10 103.8(3) . .
Ni16 O39 Nd6 103.2(3) . .
Nd10 O39 Nd6 112.4(3) . .
C2A O40 Nd11 121.1(7) . .
C2A O40 Nd10 123.9(7) . .
Nd11 O40 Nd10 111.9(3) . .
C2A O40 Nd8 86.5(7) . .
Nd11 O40 Nd8 102.2(3) . .
Nd10 O40 Nd8 99.9(3) . .
C11A O41 Ni22 115.9(8) . .
C11A O41 Nd5 142.2(8) . .
Ni22 O41 Nd5 99.9(3) . .
C35 O42 Ni17 122.4(8) . 6_558
C34 O43 Ni17 120.6(8) . .
C5A O44 Nd11 138.0(6) . .
C5A O44 Nd7 116.6(6) . .
Nd11 O44 Nd7 105.4(3) . .
Ni22 O45 Nd5 101.7(3) . .
Ni22 O45 Nd4 105.8(3) . .
Nd5 O45 Nd4 106.9(3) . .
C16 O46 Ni12 124.3(7) . .
C1A O47 Nd3 122.2(3) . 6_558
C1A O47 Nd3 122.2(3) . .
Nd3 O47 Nd3 114.3(4) 6_558 .
C6 O48 Ni20 114.0(8) . .
C6 O48 Nd7 139.3(8) . .
Ni20 O48 Nd7 105.1(4) . .
C38 O49 Ni18 114.5(8) . .
C38 O49 Nd7 143.4(8) . .
Ni18 O49 Nd7 100.9(3) . .
C3A O50 Nd10 133.3(8) . .
C3A O50 Nd6 118.2(8) . .
Nd10 O50 Nd6 107.8(3) . .
C8 O51 Ni15 122.8(8) . .
C38 O52 Ni20 121.6(8) . .
C24 O53 Ni17 115.2(8) . .
C24 O53 Nd3 140.7(8) . .
Ni17 O53 Nd3 103.7(3) . .
Ni12 O54 Nd3 105.2(3) . 6_558
Ni12 O54 Nd3 105.2(3) . .
Nd3 O54 Nd3 111.6(4) 6_558 .
Nd2 O55 Nd7 107.9(3) . .
Nd2A O55 Nd7 115.3(3) . .
Nd2 O55 Nd4 103.7(3) . .
Nd2A O55 Nd4 110.4(3) . .
Nd7 O55 Nd4 107.7(3) . .
C25 O56 Ni13 115.0(8) . .
C25 O56 Nd11 142.0(8) . .
Ni13 O56 Nd11 101.7(3) . .
C3 O57 Ni23 125.7(8) . .
O10W Na2 O4W 113.3(5) . .
O10W Na2 O4W 113.3(5) . 2_655
O4W Na2 O4W 133.5(9) . 2_655
Ni18 O58 Nd7 107.6(4) . .
Ni18 O58 Nd6 106.6(4) . .
Nd7 O58 Nd6 112.9(3) . .
C21 O59 Ni22 125.6(9) . .
C4A O60 Ni16 122.9(9) . .
C6 O61 Ni21 123.7(9) . .
C16 O62 Ni15 115.6(8) . .
C16 O62 Nd3 142.7(8) . .
Ni15 O62 Nd3 100.0(3) . .
C13 O63 Ni13 126.1(8) . .
C1A O66 Nd8 117.6(12) . .
C1A O66 Nd1A 89.1(11) . .
Nd8 O66 Nd1A 153.3(7) . .
C202 O67 Ni21 142.6(13) . .
C32 O68 Ni21 117.8(8) . .
C32 O68 Nd7 139.6(8) . .
Ni21 O68 Nd7 99.6(3) . .
C18 O69 Ni23 116.1(10) . .
C18 O69 Nd9 142.6(10) . .
Ni23 O69 Nd9 100.7(3) . .
C35 O70 Ni12 115.0(8) . .
C35 O70 Nd3 142.2(8) . 6_558
Ni12 O70 Nd3 101.8(3) . 6_558
C1A O72 Nd1A 104.9(11) . .
C1A O72 Nd5 115.5(5) . 6_558
Nd1A O72 Nd5 102.3(4) . 6_558
C1A O72 Nd5 115.5(5) . .
Nd1A O72 Nd5 102.3(4) . .
Nd5 O72 Nd5 113.8(5) 6_558 .
C5A O73 Nd4 126.1(7) . .
C5A O73 Nd2 131.8(7) . .
Nd4 O73 Nd2 91.3(2) . .
C3A O74 Nd9 124.9(14) . .
C2A O75 Nd8 106.7(8) . .
C2A O75 Nd2 97.2(8) . .
Nd8 O75 Nd2 156.0(4) . .
C29 O77 Ni21 114.6(9) . .
C29 O77 Nd4 145.0(10) . .
Ni21 O77 Nd4 99.4(4) . .
N11 C1X C4A 115.3(11) . .
N11 C1X H1XA 108.5 . .
C4A C1X H1XA 108.5 . .
N11 C1X H1XB 108.5 . .
C4A C1X H1XB 108.5 . .
H1XA C1X H1XB 107.5 . .
C202 O79 Ni22 126.5(9) . .
Nd2A O83 Nd2A 124.5(8) . 6_558
Nd2 O83 Nd2 99.7(6) . 6_558
Nd2A O83 Nd9 103.9(5) . .
Nd2A O83 Nd9 103.9(5) 6_558 .
Nd2 O83 Nd9 107.3(5) . .
Nd2 O83 Nd9 107.3(5) 6_558 .
C1 N1 C4 111.9(10) . .
C1 N1 Ni16 104.7(7) . .
C4 N1 Ni16 107.2(7) . .
C7 N2 C5 112.9(12) . .
C7 N2 Ni20 109.6(8) . .
C5 N2 Ni20 105.5(8) . .
C12 N3 C9 108.8(12) . .
C12 N3 Ni22 108.2(8) . .
C9 N3 Ni22 107.0(8) . .
C14 N4 C15 112.9(10) . .
C14 N4 Ni15 105.3(7) . .
C15 N4 Ni15 106.9(7) . .
C20 N5 C17 115.7(12) . .
C20 N5 Ni23 109.7(8) . .
C17 N5 Ni23 107.1(9) . .
C22 N6 C23 111.1(10) . .
C22 N6 Ni17 107.7(8) . .
C23 N6 Ni17 107.8(7) . .
C28 N7 C26 111.9(10) . .
C28 N7 Ni13 107.7(8) . .
C26 N7 Ni13 105.5(8) . .
C30 N8 C31 112.7(10) . .
C30 N8 Ni21 108.1(9) . .
C31 N8 Ni21 105.8(7) . .
C33 N9 C33 116.1(14) . 6_558
C33 N9 Ni14 106.4(8) . .
C33 N9 Ni14 106.4(8) 6_558 .
C36 N10 C36 111.9(13) 6_558 .
C36 N10 Ni12 107.7(7) 6_558 .
C36 N10 Ni12 107.7(7) . .
C1X N11 C37 112.3(10) . .
C1X N11 Ni18 106.8(8) . .
C37 N11 Ni18 104.7(8) . .
C39 N12 C39 109.3(14) 6_558 .
C39 N12 Ni19 109.1(8) 6_558 .
C39 N12 Ni19 109.1(8) . .
N1 C1 C2 115.2(10) . .
N1 C1 H1A 108.5 . .
C2 C1 H1A 108.5 . .
N1 C1 H1B 108.5 . .
C2 C1 H1B 108.5 . .
H1A C1 H1B 107.5 . .
O31 C2 O11 124.8(12) . .
O31 C2 C1 118.1(11) . .
O11 C2 C1 117.0(11) . .
O57 C3 O32 122.3(12) . .
O57 C3 C4 119.5(11) . .
O32 C3 C4 118.2(11) . .
C3 C4 N1 114.1(10) . .
C3 C4 H4A 108.7 . .
N1 C4 H4A 108.7 . .
C3 C4 H4B 108.7 . .
N1 C4 H4B 108.7 . .
H4A C4 H4B 107.6 . .
C6 C5 N2 115.3(13) . .
C6 C5 H5A 108.4 . .
N2 C5 H5A 108.4 . .
C6 C5 H5B 108.4 . .
N2 C5 H5B 108.4 . .
H5A C5 H5B 107.5 . .
O61 C6 O48 125.1(12) . .
O61 C6 C5 116.1(13) . .
O48 C6 C5 118.8(12) . .
N2 C7 C8 111.5(11) . .
N2 C7 H7A 109.3 . .
C8 C7 H7A 109.3 . .
N2 C7 H7B 109.3 . .
C8 C7 H7B 109.3 . .
H7A C7 H7B 108.0 . .
O51 C8 O35 124.7(12) . .
O51 C8 C7 116.5(11) . .
O35 C8 C7 118.8(11) . .
N3 C9 C10 114.3(12) . .
N3 C9 H9A 108.7 . .
C10 C9 H9A 108.7 . .
N3 C9 H9B 108.7 . .
C10 C9 H9B 108.7 . .
H9A C9 H9B 107.6 . .
O80 C10 O8 123.3(14) . .
O80 C10 C9 119.8(14) . .
O8 C10 C9 116.7(13) . .
N3 C12 C11A 110.2(11) . .
N3 C12 H12A 109.6 . .
C11A C12 H12A 109.6 . .
N3 C12 H12B 109.6 . .
C11A C12 H12B 109.6 . .
H12A C12 H12B 108.1 . .
O63 C13 O28 124.3(12) . .
O63 C13 C14 120.1(11) . .
O28 C13 C14 115.6(12) . .
C13 C14 N4 118.4(11) . .
C13 C14 H14A 107.7 . .
N4 C14 H14A 107.7 . .
C13 C14 H14B 107.7 . .
N4 C14 H14B 107.7 . .
H14A C14 H14B 107.1 . .
C16 C15 N4 113.5(10) . .
C16 C15 H15A 108.9 . .
N4 C15 H15A 108.9 . .
C16 C15 H15B 108.9 . .
N4 C15 H15B 108.9 . .
H15A C15 H15B 107.7 . .
O46 C16 O62 124.4(11) . .
O46 C16 C15 117.0(11) . .
O62 C16 C15 118.3(11) . .
C18 C17 N5 113.4(12) . .
C18 C17 H17A 108.9 . .
N5 C17 H17A 108.9 . .
C18 C17 H17B 108.9 . .
N5 C17 H17B 108.9 . .
H17A C17 H17B 107.7 . .
O9 C18 O69 124.8(16) . .
O9 C18 C17 117.0(14) . .
O69 C18 C17 118.2(14) . .
O38 C19 O14 127.6(12) . .
O38 C19 C20 116.4(11) . .
O14 C19 C20 115.9(11) . .
N5 C20 C19 110.2(11) . .
N5 C20 H20A 109.6 . .
C19 C20 H20A 109.6 . .
N5 C20 H20B 109.6 . .
C19 C20 H20B 109.6 . .
H20A C20 H20B 108.1 . .
O59 C21 O7 124.1(13) . .
O59 C21 C22 118.3(12) . .
O7 C21 C22 117.5(12) . .
N6 C22 C21 113.3(11) . .
N6 C22 H22A 108.9 . .
C21 C22 H22A 108.9 . .
N6 C22 H22B 108.9 . .
C21 C22 H22B 108.9 . .
H22A C22 H22B 107.7 . .
C24 C23 N6 109.9(11) . .
C24 C23 H23A 109.7 . .
N6 C23 H23A 109.7 . .
C24 C23 H23B 109.7 . .
N6 C23 H23B 109.7 . .
H23A C23 H23B 108.2 . .
O53 C24 O36 124.6(12) . .
O53 C24 C23 119.8(12) . .
O36 C24 C23 115.5(12) . .
O56 C25 O37 126.0(12) . .
O56 C25 C26 118.0(13) . .
O37 C25 C26 116.0(13) . .
C25 C26 N7 112.3(11) . .
C25 C26 H26A 109.1 . .
N7 C26 H26A 109.1 . .
C25 C26 H26B 109.1 . .
N7 C26 H26B 109.1 . .
H26A C26 H26B 107.9 . .
O18 C27 O27 123.8(11) . .
O18 C27 C28 118.5(12) . .
O27 C27 C28 117.6(11) . .
C27 C28 N7 111.8(11) . .
C27 C28 H28A 109.3 . .
N7 C28 H28A 109.3 . .
C27 C28 H28B 109.3 . .
N7 C28 H28B 109.3 . .
H28A C28 H28B 107.9 . .
O77 C29 O76 124.2(14) . .
O77 C29 C30 118.6(12) . .
O76 C29 C30 117.2(12) . .
O41 C11A O30 128.2(12) . .
O41 C11A C12 117.4(11) . .
O30 C11A C12 113.5(11) . .
N8 C30 C29 114.1(11) . .
N8 C30 H30A 108.7 . .
C29 C30 H30A 108.7 . .
N8 C30 H30B 108.7 . .
C29 C30 H30B 108.7 . .
H30A C30 H30B 107.6 . .
N8 C31 C32 114.6(11) . .
N8 C31 H31A 108.6 . .
C32 C31 H31A 108.6 . .
N8 C31 H31B 108.6 . .
C32 C31 H31B 108.6 . .
H31A C31 H31B 107.6 . .
O21 C32 O68 127.9(12) . .
O21 C32 C31 119.7(11) . .
O68 C32 C31 112.5(11) . .
N9 C33 C34 112.9(11) . .
N9 C33 H33A 109.0 . .
C34 C33 H33A 109.0 . .
N9 C33 H33B 109.0 . .
C34 C33 H33B 109.0 . .
H33A C33 H33B 107.8 . .
O43 C34 O6 127.8(12) . .
O43 C34 C33 117.5(11) . .
O6 C34 C33 114.7(10) . .
O70 C35 O42 124.5(12) . .
O70 C35 C36 118.3(12) . .
O42 C35 C36 117.1(12) . .
N10 C36 C35 109.2(10) . .
N10 C36 H36A 109.8 . .
C35 C36 H36A 109.8 . .
N10 C36 H36B 109.8 . .
C35 C36 H36B 109.8 . .
H36A C36 H36B 108.3 . .
N11 C37 C38 113.0(11) . .
N11 C37 H37A 109.0 . .
C38 C37 H37A 109.0 . .
N11 C37 H37B 109.0 . .
C38 C37 H37B 109.0 . .
H37A C37 H37B 107.8 . .
O49 C38 O52 124.3(12) . .
O49 C38 C37 116.5(10) . .
O52 C38 C37 118.9(11) . .
N12 C39 C40 113.2(11) . .
N12 C39 H39A 108.9 . .
C40 C39 H39A 108.9 . .
N12 C39 H39B 108.9 . .
C40 C39 H39B 108.9 . .
H39A C39 H39B 107.8 . .
O19 C40 O29 127.5(12) . .
O19 C40 C39 116.9(11) . .
O29 C40 C39 115.4(12) . .
O47 C1A O72 132.7(19) . .
O47 C1A O66 111.5(18) . .
O72 C1A O66 115.8(16) . .
O75 C2A O13 117.3(11) . .
O75 C2A O40 119.1(12) . .
O13 C2A O40 123.5(11) . .
O74 C3A O50 118.5(7) . .
O74 C3A O50 118.5(7) . 6_558
O50 C3A O50 123.0(14) . 6_558
O60 C4A O26 127.4(13) . .
O60 C4A C1X 118.8(12) . .
O26 C4A C1X 113.7(11) . .
O12 C5A O73 120.9(10) . .
O12 C5A O44 120.8(9) . .
O73 C5A O44 118.1(9) . .
O64 C6A O2 121.0(15) . .
O64 C6A O2A 142.0(15) . .
O64 C6A O65 118.9(15) . .
O2 C6A O65 120.1(15) . .
O2A C6A O65 99.1(14) . .
O64 C6A Nd2A 91.3(9) . .
O2A C6A Nd2A 51.2(8) . .
O65 C6A Nd2A 149.4(12) . .
C7A O86 Ni24 94.2(13) . .
C7A O85 Nd1 125.9(14) . .
C7A O84 Ni24 108(2) . .
O3 C203 C204 137.7(17) . .
O3 C203 H20E 100.2 . .
C204 C203 H20E 105.2 . .
C203 C204 H20C 100.6 . .
C203 C204 H20D 113.7 . .
H20C C204 H20D 109.5 . .
O85 C7A O86 122.3(18) . .
O85 C7A O84 136(2) . .
O86 C7A O84 101(2) . .
O79 C202 O67 119.3(11) . .
O79 C202 C201 153.2(7) . .
O67 C202 C201 86.6(8) . .
C202 C201 H20F 109.5 . .
C202 C201 H20G 109.5 . .
H20F C201 H20G 109.5 . .
C202 C201 H20H 109.5 . .
H20F C201 H20H 109.5 . .
H20G C201 H20H 109.5 . .
loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_site_symmetry_2
Nd1 O1 2.377(16) .
Nd1 O5 2.397(8) 6_558
Nd1 O5 2.397(8) .
Nd1 O17 2.401(9) .
Nd1 O17 2.401(9) 6_558
Nd1 O5W 2.47(2) .
Nd1 O85 2.70(2) .
Nd1 Nd2 3.9446(17) 6_558
Nd1 Nd2 3.9447(17) .
Nd1 Nd4 4.0416(9) 6_558
Nd1 Nd4 4.0416(9) .
Nd1A O1A 2.428(14) .
Nd1A O72 2.477(15) .
Nd1A O5 2.569(8) 6_558
Nd1A O5 2.569(8) .
Nd1A O17 2.612(9) .
Nd1A O17 2.612(9) 6_558
Nd1A O66 2.802(15) .
Nd1A Nd2A 3.867(5) .
Nd1A Nd2A 3.867(5) 6_558
Nd1A Nd5 3.891(3) .
Nd1A Nd5 3.892(3) 6_558
Nd1A Nd4 4.0833(11) 6_558
Nd2 O17 2.380(8) .
Nd2 O55 2.394(8) .
Nd2 O1 2.404(10) .
Nd2 O83 2.477(10) .
Nd2 O33 2.516(9) .
Nd2 O2 2.588(14) .
Nd2 O13 2.655(9) .
Nd2 O75 2.684(10) .
Nd2 O73 2.947(8) .
Nd2 Nd2 3.787(2) 6_558
Nd2 Nd4 3.8650(13) .
Nd2 Nd7 3.9115(13) .
Nd2A O33 2.183(9) .
Nd2A O83 2.227(8) .
Nd2A O1A 2.389(19) .
Nd2A O55 2.417(9) .
Nd2A O17 2.440(9) .
Nd2A O2A 2.439(14) .
Nd2A O13 2.927(9) .
Nd2A C6A 3.033(14) .
Nd2A Nd9 3.814(4) .
Nd2A Nd2A 3.941(7) 6_558
Nd2A Nd6 4.004(4) .
Nd3 O16 2.426(8) .
Nd3 O25 2.451(8) .
Nd3 O47 2.468(6) .
Nd3 O22 2.504(8) 6_558
Nd3 O62 2.505(8) .
Nd3 O54 2.507(6) .
Nd3 O12 2.518(7) .
Nd3 O53 2.524(8) .
Nd3 O70 2.548(8) 6_558
Nd3 Ni15 3.5179(17) .
Nd3 Nd11 3.9840(10) .
Nd4 O73 2.436(8) .
Nd4 O23 2.483(8) .
Nd4 O45 2.510(8) .
Nd4 O5 2.511(8) .
Nd4 O55 2.518(9) .
Nd4 O17 2.566(9) .
Nd4 O12W 2.584(9) .
Nd4 O77 2.597(10) .
Nd4 O8 2.639(8) .
Nd4 Nd5 3.9845(10) .
Nd4 Nd7 4.0064(10) .
Nd5 O5 2.407(8) .
Nd5 O45 2.450(8) .
Nd5 O25 2.463(8) .
Nd5 O41 2.467(8) .
Nd5 O72 2.518(7) .
Nd5 O34 2.533(6) .
Nd5 O7 2.558(8) .
Nd5 O12 2.630(8) .
Nd5 O6 2.644(8) .
Nd5 Ni22 3.5059(19) .
Nd6 O33 2.415(8) .
Nd6 O20 2.454(9) .
Nd6 O14 2.464(7) .
Nd6 O39 2.506(7) .
Nd6 O13 2.510(9) .
Nd6 O32 2.525(8) .
Nd6 O58 2.542(8) .
Nd6 O50 2.602(8) .
Nd6 O26 2.622(9) .
Nd6 Ni23 3.4855(19) .
Nd6 Nd9 4.0014(10) .
Nd7 O23 2.408(8) .
Nd7 O55 2.443(8) .
Nd7 O68 2.445(8) .
Nd7 O24 2.465(7) .
Nd7 O58 2.495(8) .
Nd7 O48 2.516(9) .
Nd7 O13 2.558(8) .
Nd7 O49 2.627(8) .
Nd7 O44 2.632(7) .
Nd7 Ni21 3.455(2) .
Nd8 O10 2.369(12) .
Nd8 O22 2.375(8) .
Nd8 O22 2.375(8) 6_558
Nd8 O66 2.406(16) .
Nd8 O75 2.504(10) .
Nd8 O75 2.504(10) 6_558
Nd8 O40 2.889(9) 6_558
Nd8 O40 2.889(9) .
Nd8 Na1 3.430(11) .
Nd9 O74 2.358(16) .
Nd9 O20 2.443(8) .
Nd9 O20 2.443(8) 6_558
Nd9 O33 2.530(8) .
Nd9 O33 2.530(8) 6_558
Nd9 O3 2.605(11) .
Nd9 O69 2.612(10) 6_558
Nd9 O69 2.612(10) .
Nd9 O83 2.606(17) .
Nd9 Nd2A 3.814(4) 6_558
Nd10 O4 2.414(6) .
Nd10 O39 2.441(8) .
Nd10 O50 2.487(8) .
Nd10 O29 2.496(7) .
Nd10 O11 2.495(8) .
Nd10 O10 2.497(7) .
Nd10 O15 2.501(8) .
Nd10 O40 2.528(9) .
Nd10 O27 2.583(8) .
Nd10 Ni19 3.499(2) .
Nd10 Nd10 4.0156(14) 6_558
Nd11 O16 2.409(8) .
Nd11 O24 2.449(8) .
Nd11 O28 2.450(7) .
Nd11 O22 2.489(8) 6_558
Nd11 O40 2.493(9) .
Nd11 O35 2.519(8) .
Nd11 O15 2.518(8) .
Nd11 O44 2.531(7) .
Nd11 O56 2.571(8) .
Nd11 Ni15 3.4819(17) .
Ni12 O54 1.986(11) .
Ni12 O70 2.053(8) .
Ni12 O70 2.053(8) 6_558
Ni12 O46 2.062(8) 6_558
Ni12 O46 2.062(8) .
Ni12 N10 2.066(13) .
Ni13 O15 2.002(8) .
Ni13 O63 2.028(8) .
Ni13 O19 2.053(8) .
Ni13 O56 2.072(8) .
Ni13 O27 2.072(8) .
Ni13 N7 2.076(11) .
Ni14 O34 2.011(11) .
Ni14 O6 2.061(8) 6_558
Ni14 O6 2.061(8) .
Ni14 O30 2.073(8) 6_558
Ni14 O30 2.073(8) .
Ni14 N9 2.117(14) .
Ni15 O16 2.021(7) .
Ni15 O51 2.038(8) .
Ni15 O36 2.057(8) .
Ni15 O62 2.074(9) .
Ni15 N4 2.100(9) .
Ni15 O28 2.108(8) .
Ni16 O60 2.021(9) .
Ni16 O11 2.029(8) .
Ni16 O32 2.037(8) .
Ni16 O18 2.093(8) .
Ni16 O39 2.094(8) .
Ni16 N1 2.114(11) .
Ni17 O53 2.004(8) .
Ni17 O7 2.060(8) .
Ni17 O43 2.061(8) .
Ni17 O42 2.065(9) 6_558
Ni17 O25 2.067(8) .
Ni17 N6 2.083(11) .
Ni18 O58 1.978(8) .
Ni18 O26 2.043(8) .
Ni18 O49 2.047(8) .
Ni18 O38 2.083(8) .
Ni18 N11 2.086(11) .
Ni18 O21 2.096(8) .
Ni19 O4 2.032(11) .
Ni19 O31 2.034(9) .
Ni19 O31 2.034(9) 6_558
Ni19 O29 2.070(8) .
Ni19 O29 2.070(8) 6_558
Ni19 N12 2.096(14) .
Ni19 Nd10 3.499(2) 6_558
Ni20 O48 2.022(9) .
Ni20 O52 2.030(9) .
Ni20 O35 2.031(8) .
Ni20 O37 2.053(9) .
Ni20 O24 2.100(8) .
Ni20 N2 2.102(11) .
Ni21 O67 1.943(18) .
Ni21 O23 2.037(8) .
Ni21 N8 2.046(11) .
Ni21 O77 2.059(10) .
Ni21 O68 2.069(8) .
Ni21 O61 2.078(9) .
Ni22 O79 1.956(14) .
Ni22 O8 2.055(8) .
Ni22 O59 2.057(9) .
Ni22 O45 2.060(8) .
Ni22 N3 2.097(11) .
Ni22 O41 2.104(8) .
Ni23 O69 2.048(10) .
Ni23 O20 2.052(8) .
Ni23 O14 2.054(8) .
Ni23 O57 2.097(9) .
Ni23 N5 2.105(11) .
Ni23 O1W 2.116(16) .
Ni24 O84 2.00(3) .
Ni24 O84 2.00(3) 5_668
Ni24 O8W 2.08(4) .
Ni24 O8W 2.08(4) 5_668
Ni24 O86 2.29(3) .
Ni24 O86 2.29(3) 5_668
O1 Nd2 2.404(10) 6_558
O2 C6A 1.229(19) .
O1A Nd2A 2.389(19) 6_558
O2A C6A 1.303(16) .
O3 C203 1.396(13) .
O4 Nd10 2.414(6) 6_558
O6 C34 1.280(14) .
O7 C21 1.275(15) .
O8 C10 1.265(16) .
O9 C18 1.176(18) .
O10 Nd10 2.497(7) 6_558
O11 C2 1.275(15) .
O12 C5A 1.287(13) .
O13 C2A 1.282(15) .
O14 C19 1.261(14) .
O18 C27 1.252(14) .
O19 C40 1.221(15) .
O21 C32 1.239(15) .
O22 Nd11 2.489(8) 6_558
O22 Nd3 2.503(8) 6_558
O26 C4A 1.248(15) .
O27 C27 1.261(15) .
O28 C13 1.282(14) .
O29 C40 1.298(14) .
O30 C11A 1.258(15) .
O31 C2 1.266(15) .
O32 C3 1.271(15) .
O34 Nd5 2.533(6) 6_558
O35 C8 1.266(15) .
O36 C24 1.263(15) .
O37 C25 1.252(17) .
O38 C19 1.234(15) .
O40 C2A 1.316(14) .
O41 C11A 1.234(15) .
O42 C35 1.266(16) .
O42 Ni17 2.065(8) 6_558
O43 C34 1.196(14) .
O44 C5A 1.315(13) .
O46 C16 1.266(15) .
O47 C1A 1.26(2) .
O47 Nd3 2.468(6) 6_558
O48 C6 1.268(17) .
O49 C38 1.258(15) .
O50 C3A 1.373(11) .
O51 C8 1.229(14) .
O52 C38 1.263(14) .
O53 C24 1.251(15) .
O54 Nd3 2.507(6) 6_558
O56 C25 1.230(16) .
O57 C3 1.269(15) .
Na2 O10W 2.83(2) .
Na2 O4W 3.00(2) .
Na2 O4W 3.00(2) 2_655
O59 C21 1.240(16) .
O60 C4A 1.241(15) .
O61 C6 1.267(16) .
O62 C16 1.269(14) .
O63 C13 1.228(16) .
O64 C6A 1.169(17) .
O65 C6A 1.50(2) .
O66 C1A 1.35(2) .
O67 C202 1.395(19) .
O68 C32 1.276(15) .
O69 C18 1.272(16) .
O70 C35 1.252(16) .
O70 Nd3 2.548(8) 6_558
O72 C1A 1.32(2) .
O72 Nd5 2.518(7) 6_558
O73 C5A 1.289(12) .
O74 C3A 1.32(2) .
O75 C2A 1.244(15) .
O76 C29 1.257(16) .
O77 C29 1.244(15) .
C1X N11 1.439(17) .
C1X C4A 1.537(18) .
C1X H1XA 0.9700 .
C1X H1XB 0.9700 .
O79 C202 1.259(12) .
O80 C10 1.184(18) .
O83 Nd2A 2.227(8) 6_558
O83 Nd2 2.477(10) 6_558
N1 C1 1.465(15) .
N1 C4 1.496(15) .
N2 C7 1.481(16) .
N2 C5 1.487(18) .
N3 C12 1.479(17) .
N3 C9 1.515(19) .
N4 C14 1.500(15) .
N4 C15 1.508(16) .
N5 C20 1.496(18) .
N5 C17 1.503(18) .
N6 C22 1.479(16) .
N6 C23 1.556(17) .
N7 C28 1.508(17) .
N7 C26 1.514(18) .
N8 C30 1.483(18) .
N8 C31 1.513(16) .
N9 C33 1.491(15) .
N9 C33 1.491(15) 6_558
N10 C36 1.519(15) 6_558
N10 C36 1.519(15) .
N11 C37 1.475(16) .
N12 C39 1.501(16) 6_558
N12 C39 1.501(16) .
C1 C2 1.534(17) .
C1 H1A 0.9700 .
C1 H1B 0.9700 .
C3 C4 1.493(17) .
C4 H4A 0.9700 .
C4 H4B 0.9700 .
C5 C6 1.48(2) .
C5 H5A 0.9700 .
C5 H5B 0.9700 .
C7 C8 1.569(18) .
C7 H7A 0.9700 .
C7 H7B 0.9700 .
C9 C10 1.52(2) .
C9 H9A 0.9700 .
C9 H9B 0.9700 .
C12 C11A 1.562(19) .
C12 H12A 0.9700 .
C12 H12B 0.9700 .
C13 C14 1.469(18) .
C14 H14A 0.9700 .
C14 H14B 0.9700 .
C15 C16 1.477(17) .
C15 H15A 0.9700 .
C15 H15B 0.9700 .
C17 C18 1.49(2) .
C17 H17A 0.9700 .
C17 H17B 0.9700 .
C19 C20 1.568(18) .
C20 H20A 0.9700 .
C20 H20B 0.9700 .
C21 C22 1.515(19) .
C22 H22A 0.9700 .
C22 H22B 0.9700 .
C23 C24 1.485(19) .
C23 H23A 0.9700 .
C23 H23B 0.9700 .
C25 C26 1.514(19) .
C26 H26A 0.9700 .
C26 H26B 0.9700 .
C27 C28 1.507(17) .
C28 H28A 0.9700 .
C28 H28B 0.9700 .
C29 C30 1.50(2) .
C30 H30A 0.9700 .
C30 H30B 0.9700 .
C31 C32 1.533(18) .
C31 H31A 0.9700 .
C31 H31B 0.9700 .
C33 C34 1.546(18) .
C33 H33A 0.9700 .
C33 H33B 0.9700 .
C35 C36 1.548(17) .
C36 H36A 0.9700 .
C36 H36B 0.9700 .
C37 C38 1.501(18) .
C37 H37A 0.9700 .
C37 H37B 0.9700 .
C39 C40 1.554(19) .
C39 H39A 0.9700 .
C39 H39B 0.9700 .
C3A O50 1.373(11) 6_558
O86 C7A 1.323(15) .
O85 C7A 1.308(15) .
O84 C7A 1.334(16) .
C203 C204 1.449(15) .
C203 H20E 0.9601 .
C204 H20C 0.9602 .
C204 H20D 0.9599 .
C202 C201 1.4800(10) .
C201 H20F 0.9600 .
C201 H20G 0.9600 .
C201 H20H 0.9600 .
