# Electronic Supplementary Material (ESI) for Dalton Transactions.
# This journal is © The Royal Society of Chemistry 2016

####################################################################### 
# 
# This file contains crystal structure data downloaded from the 
# Cambridge Structural Database (CSD) hosted by the Cambridge 
# Crystallographic Data Centre (CCDC).
# 
# Full information about CCDC data access policies and citation 
# guidelines are available at http://www.ccdc.cam.ac.uk/access/V1 
# 
# Audit and citation data items may have been added by the CCDC. 
# Please retain this information to preserve the provenance of 
# this file and to allow appropriate attribution of the data. 
# 
#######################################################################

data_zy-17
_database_code_depnum_ccdc_archive 'CCDC 1504913'
_audit_update_record             
;
2016-12-02 deposited with the CCDC.
2016-12-07 downloaded from the CCDC.
;

_audit_creation_method           SHELXL-2014/7
_shelx_SHELXL_version_number     2014/7
_chemical_name_systematic        ?
_chemical_name_common            ?
_chemical_melting_point          ?
_chemical_formula_moiety         ?
_chemical_formula_sum            'C198 H333 Cl6 N42 Na4 Nd38 Ni42.50 O339'
_chemical_formula_weight         17007.00

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'

_space_group_crystal_system      orthorhombic
_space_group_IT_number           58
_space_group_name_H-M_alt        'P n n m'
_space_group_name_Hall           '-P 2 2n'

_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.
;

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'

_cell_length_a                   28.703(3)
_cell_length_b                   33.963(3)
_cell_length_c                   24.664(3)
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_volume                     24043(4)
_cell_formula_units_Z            2
_cell_measurement_temperature    296(2)
_cell_measurement_reflns_used    8744
_cell_measurement_theta_min      2.16
_cell_measurement_theta_max      25.8

_exptl_crystal_description       Slice
_exptl_crystal_colour            Blue
_exptl_crystal_density_meas      ?
_exptl_crystal_density_method    ?
_exptl_crystal_density_diffrn    2.349
_exptl_crystal_F_000             16286
_exptl_transmission_factor_min   ?
_exptl_transmission_factor_max   ?
_exptl_crystal_size_max          0.130
_exptl_crystal_size_mid          0.120
_exptl_crystal_size_min          0.110
_exptl_absorpt_coefficient_mu    5.787
_shelx_estimated_absorpt_T_min   0.520
_shelx_estimated_absorpt_T_max   0.569
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_correction_T_min  0.5200
_exptl_absorpt_correction_T_max  0.5685
_exptl_absorpt_process_details   '(SADABS; Sheldrick, 2003)'
_exptl_absorpt_special_details   ?
_diffrn_ambient_temperature      296(2)
_diffrn_radiation_wavelength     0.71073
_diffrn_radiation_type           MoK\a
_diffrn_source                   ?
_diffrn_measurement_device_type  'Bruker Apex2 CCD'
_diffrn_measurement_method       'ω scans'
_diffrn_detector_area_resol_mean ?
_diffrn_reflns_number            104792
_diffrn_reflns_av_unetI/netI     0.1523
_diffrn_reflns_av_R_equivalents  0.2260
_diffrn_reflns_limit_h_min       -34
_diffrn_reflns_limit_h_max       34
_diffrn_reflns_limit_k_min       -38
_diffrn_reflns_limit_k_max       39
_diffrn_reflns_limit_l_min       -26
_diffrn_reflns_limit_l_max       29
_diffrn_reflns_theta_min         0.929
_diffrn_reflns_theta_max         25.025
_diffrn_reflns_theta_full        25.025
_diffrn_measured_fraction_theta_max 0.971
_diffrn_measured_fraction_theta_full 0.971
_diffrn_reflns_Laue_measured_fraction_max 0.971
_diffrn_reflns_Laue_measured_fraction_full 0.971
_diffrn_reflns_point_group_measured_fraction_max 0.971
_diffrn_reflns_point_group_measured_fraction_full 0.971
_reflns_number_total             21142
_reflns_number_gt                10963
_reflns_threshold_expression     'I > 2σ(I)'
_reflns_Friedel_coverage         0.000
_reflns_Friedel_fraction_max     .
_reflns_Friedel_fraction_full    .

_reflns_special_details          
;
 Reflections were merged by SHELXL according to the crystal
 class for the calculation of statistics and refinement.
 
 _reflns_Friedel_fraction is defined as the number of unique
 Friedel pairs measured divided by the number that would be
 possible theoretically, ignoring centric projections and
 systematic absences.
;

_computing_data_collection       'APEX2 (Bruker, 2005)'
_computing_cell_refinement       'SAINT (Bruker, 2005)'
_computing_data_reduction        SAINT
_computing_structure_solution    'SHELXL-2014/7 (Sheldrick, 2014)'
_computing_structure_refinement  'SHELXL-2014/7 (Sheldrick, 2014)'
_computing_molecular_graphics    SHELXTL
_computing_publication_material  SHELXTL
_refine_special_details          ?
_refine_ls_structure_factor_coef Fsqd
_refine_ls_matrix_type           full
_refine_ls_weighting_scheme      calc
_refine_ls_weighting_details     
'w=1/[σ²(Fo²)+(0.1000P)²] where P=(Fo²+2Fc²)/3'
_atom_sites_solution_primary     ?
_atom_sites_solution_secondary   ?
_atom_sites_solution_hydrogens   mixed
_refine_ls_hydrogen_treatment    constr
_refine_ls_extinction_method     none
_refine_ls_extinction_coef       .
_refine_ls_number_reflns         21142
_refine_ls_number_parameters     1603
_refine_ls_number_restraints     425
_refine_ls_R_factor_all          0.1631
_refine_ls_R_factor_gt           0.0688
_refine_ls_wR_factor_ref         0.2109
_refine_ls_wR_factor_gt          0.1723
_refine_ls_goodness_of_fit_ref   1.016
_refine_ls_restrained_S_all      1.014
_refine_ls_shift/su_max          0.024
_refine_ls_shift/su_mean         0.000

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 . . .


_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 2.377(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 . ?

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 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 . . ?

_refine_diff_density_max         3.073
_refine_diff_density_min         -3.786
_refine_diff_density_rms         0.526

####################################################################### 
# 
# This file contains crystal structure data downloaded from the 
# Cambridge Structural Database (CSD) hosted by the Cambridge 
# Crystallographic Data Centre (CCDC).
# 
# Full information about CCDC data access policies and citation 
# guidelines are available at http://www.ccdc.cam.ac.uk/access/V1 
# 
# Audit and citation data items may have been added by the CCDC. 
# Please retain this information to preserve the provenance of 
# this file and to allow appropriate attribution of the data. 
# 
#######################################################################

data_zy-18
_database_code_depnum_ccdc_archive 'CCDC 1504914'
_audit_update_record             
;
2016-12-02 deposited with the CCDC.
2016-12-07 downloaded from the CCDC.
;

_audit_creation_method           SHELXL-2014/7
_shelx_SHELXL_version_number     2014/7
_chemical_name_systematic        ?
_chemical_name_common            ?
_chemical_melting_point          ?
_chemical_formula_moiety         ?
_chemical_formula_sum            'C180 H377 Cl10 N40 Na Ni38 O331 Pr42'
_chemical_formula_weight         16924.88

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'
Pr Pr -0.2180 2.8214 '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'

_space_group_crystal_system      monoclinic
_space_group_IT_number           14
_space_group_name_H-M_alt        'P 21/n'
_space_group_name_Hall           '-P 2yn'

_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.
;

loop_
_space_group_symop_operation_xyz
'x, y, z'
'-x+1/2, y+1/2, -z+1/2'
'-x, -y, -z'
'x-1/2, -y-1/2, z-1/2'

_cell_length_a                   22.761(2)
_cell_length_b                   28.178(2)
_cell_length_c                   35.469(3)
_cell_angle_alpha                90
_cell_angle_beta                 101.2510(10)
_cell_angle_gamma                90
_cell_volume                     22311(3)
_cell_formula_units_Z            2
_cell_measurement_temperature    296(2)
_cell_measurement_reflns_used    9998
_cell_measurement_theta_min      2.25
_cell_measurement_theta_max      25.67

_exptl_crystal_description       Slice
_exptl_crystal_colour            Blue
_exptl_crystal_density_meas      ?
_exptl_crystal_density_method    ?
_exptl_crystal_density_diffrn    2.519
_exptl_crystal_F_000             16216
_exptl_transmission_factor_min   ?
_exptl_transmission_factor_max   ?
_exptl_crystal_size_max          0.140
_exptl_crystal_size_mid          0.130
_exptl_crystal_size_min          0.120
_exptl_absorpt_coefficient_mu    6.223
_shelx_estimated_absorpt_T_min   0.476
_shelx_estimated_absorpt_T_max   0.522
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_correction_T_min  0.4762
_exptl_absorpt_correction_T_max  0.5222
_exptl_absorpt_process_details   '(SADABS; Sheldrick, 2003)'
_exptl_absorpt_special_details   ?
_diffrn_ambient_temperature      296(2)
_diffrn_radiation_wavelength     0.71073
_diffrn_radiation_type           MoK\a
_diffrn_source                   ?
_diffrn_measurement_device_type  'Bruker Apex2 CCD'
_diffrn_measurement_method       'ω scans'
_diffrn_detector_area_resol_mean ?
_diffrn_reflns_number            127095
_diffrn_reflns_av_unetI/netI     0.1230
_diffrn_reflns_av_R_equivalents  0.1307
_diffrn_reflns_limit_h_min       -27
_diffrn_reflns_limit_h_max       26
_diffrn_reflns_limit_k_min       -30
_diffrn_reflns_limit_k_max       33
_diffrn_reflns_limit_l_min       -42
_diffrn_reflns_limit_l_max       41
_diffrn_reflns_theta_min         0.930
_diffrn_reflns_theta_max         25.010
_diffrn_reflns_theta_full        25.010
_diffrn_measured_fraction_theta_max 0.981
_diffrn_measured_fraction_theta_full 0.981
_diffrn_reflns_Laue_measured_fraction_max 0.981
_diffrn_reflns_Laue_measured_fraction_full 0.981
_diffrn_reflns_point_group_measured_fraction_max 0.981
_diffrn_reflns_point_group_measured_fraction_full 0.981
_reflns_number_total             38579
_reflns_number_gt                23130
_reflns_threshold_expression     'I > 2σ(I)'
_reflns_Friedel_coverage         0.000
_reflns_Friedel_fraction_max     .
_reflns_Friedel_fraction_full    .

_reflns_special_details          
;
 Reflections were merged by SHELXL according to the crystal
 class for the calculation of statistics and refinement.
 
 _reflns_Friedel_fraction is defined as the number of unique
 Friedel pairs measured divided by the number that would be
 possible theoretically, ignoring centric projections and
 systematic absences.
;

_computing_data_collection       'APEX2 (Bruker, 2005)'
_computing_cell_refinement       'SAINT (Bruker, 2005)'
_computing_data_reduction        SAINT
_computing_structure_solution    'SHELXL-2014/7 (Sheldrick, 2014)'
_computing_structure_refinement  'SHELXL-2014/7 (Sheldrick, 2014)'
_computing_molecular_graphics    SHELXTL
_computing_publication_material  SHELXTL
_refine_special_details          ?
_refine_ls_structure_factor_coef Fsqd
_refine_ls_matrix_type           fullcycle
_refine_ls_weighting_scheme      calc
_refine_ls_weighting_details     
'w=1/[σ²(Fo²)+(0.1000P)²] where P=(Fo²+2Fc²)/3'
_atom_sites_solution_primary     ?
_atom_sites_solution_secondary   ?
_atom_sites_solution_hydrogens   geom
_refine_ls_hydrogen_treatment    constr
_refine_ls_extinction_method     none
_refine_ls_extinction_coef       .
_refine_ls_number_reflns         38579
_refine_ls_number_parameters     1529
_refine_ls_number_restraints     20
_refine_ls_R_factor_all          0.1391
_refine_ls_R_factor_gt           0.0726
_refine_ls_wR_factor_ref         0.2080
_refine_ls_wR_factor_gt          0.1810
_refine_ls_goodness_of_fit_ref   1.085
_refine_ls_restrained_S_all      1.088
_refine_ls_shift/su_max          0.006
_refine_ls_shift/su_mean         0.000

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
Pr1 Pr 1.10409(3) 0.74940(2) -0.60097(2) 0.01620(16) Uani 1 1 d . . . . .
Pr2 Pr 1.23528(3) 0.85038(2) -0.61536(2) 0.01641(16) Uani 1 1 d . . . . .
Pr3 Pr 1.23010(3) 0.91373(2) -0.71743(2) 0.01827(17) Uani 1 1 d . . . . .
Pr4 Pr 1.07795(3) 0.83851(2) -0.69613(2) 0.01935(17) Uani 1 1 d . . . . .
Pr5 Pr 0.90875(3) 1.11968(3) -0.19039(2) 0.02182(18) Uani 1 1 d . . . . .
Pr6 Pr 0.83769(3) 1.05283(2) -0.45362(2) 0.01606(16) Uani 1 1 d . . . . .
Pr7 Pr 0.97182(3) 0.71491(2) -0.68898(2) 0.01800(17) Uani 1 1 d . . . . .
Pr8 Pr 1.03168(3) 0.84622(2) -0.53226(2) 0.01656(16) Uani 1 1 d . . . . .
Pr9 Pr 0.96065(3) 0.78276(2) -0.79513(2) 0.02068(18) Uani 1 1 d . . . . .
Pr10 Pr 0.84267(3) 0.95126(2) -0.28975(2) 0.01932(17) Uani 1 1 d . . . . .
Pr11 Pr 0.85923(3) 0.87135(2) -0.57923(2) 0.01910(17) Uani 1 1 d . . . . .
Pr12 Pr 0.89067(3) 0.93402(2) -0.39274(2) 0.01845(17) Uani 1 1 d . . . . .
Pr13 Pr 0.95699(3) 0.99461(2) -0.58918(2) 0.01720(16) Uani 1 1 d . . . . .
Pr14 Pr 0.97850(3) 0.98787(3) -0.19644(2) 0.02482(19) Uani 1 1 d . . . . .
Pr15 Pr 0.88912(3) 0.91338(2) -0.67737(2) 0.02126(18) Uani 1 1 d . . . . .
Pr16 Pr 0.81863(3) 0.78655(2) -0.67261(2) 0.02115(18) Uani 1 1 d . . . . .
Pr17 Pr 0.81140(3) 0.85345(3) -0.77843(2) 0.02351(19) Uani 1 1 d . . . . .
Pr18 Pr 0.90072(3) 0.82822(3) -0.47002(2) 0.02290(18) Uani 1 1 d . . . . .
Pr19 Pr 0.99505(3) 0.99828(2) -0.30927(2) 0.02014(17) Uani 1 1 d . . . . .
Pr20 Pr 0.77843(3) 0.92349(3) -0.49473(2) 0.02252(18) Uani 1 1 d . . . . .
Pr21 Pr 1.13927(3) 1.00751(3) -0.22704(2) 0.02566(19) Uani 1 1 d . . . . .
Ni1 Ni 0.98955(7) 0.65800(6) -0.77736(4) 0.0208(4) Uani 1 1 d . . . . .
Ni2 Ni 0.87512(7) 1.08749(5) -0.54395(4) 0.0156(4) Uani 1 1 d . . . . .
Ni3 Ni 1.05338(7) 0.63280(5) -0.62618(4) 0.0195(4) Uani 1 1 d . . . . .
Ni4 Ni 1.26197(7) 0.72571(5) -0.59536(4) 0.0191(4) Uani 1 1 d . . . . .
Ni5 Ni 1.36035(7) 0.86927(6) -0.65907(4) 0.0205(4) Uani 1 1 d . . . . .
Ni6 Ni 0.73035(8) 0.93967(6) -0.83735(5) 0.0322(5) Uani 1 1 d . . . . .
Ni7 Ni 1.30837(7) 0.88524(6) -0.52080(4) 0.0194(4) Uani 1 1 d . . . . .
Ni8 Ni 0.82870(7) 0.66089(6) -0.69076(5) 0.0242(4) Uani 1 1 d . . . . .
Ni9 Ni 1.11437(7) 0.73553(5) -0.49963(4) 0.0190(4) Uani 1 1 d . . . . .
Ni10 Ni 1.24905(8) 0.85590(6) -0.80571(4) 0.0237(4) Uani 1 1 d . . . . .
Ni11 Ni 0.79167(8) 0.85712(6) -0.34926(4) 0.0236(4) Uani 1 1 d . . . . .
Ni12 Ni 0.81325(8) 0.76392(6) -0.84963(4) 0.0261(4) Uani 1 1 d . . . . .
Ni13 Ni 0.89376(8) 0.87996(6) -0.20356(4) 0.0265(4) Uani 1 1 d . . . . .
Ni14 Ni 0.96661(8) 1.21075(6) -0.12538(4) 0.0260(4) Uani 1 1 d . . . . .
Ni15 Ni 1.29610(7) 1.02274(6) -0.74003(4) 0.0219(4) Uani 1 1 d . . . . .
Ni16 Ni 0.91084(9) 1.03099(6) -0.11886(5) 0.0311(5) Uani 1 1 d . . . . .
Ni17 Ni 0.74274(8) 0.77812(6) -0.59799(5) 0.0311(5) Uani 1 1 d . . . . .
Ni18 Ni 0.68542(8) 0.79830(6) -0.74798(5) 0.0286(5) Uani 1 1 d . . . . .
Ni19 Ni 1.10972(9) 0.94337(7) -0.13720(5) 0.0394(5) Uani 1 1 d . . . . .
Na1 Na 0.7580(7) 0.1934(5) 0.0412(3) 0.063(4) Uani 0.5 1 d . . P . .
Cl1 Cl 0.39795(18) 0.59581(14) -0.38278(10) 0.0432(11) Uani 1 1 d . . . . .
Cl2 Cl 1.0000 1.0000 -0.5000 0.0481(16) Uani 1 2 d S . P . .
Cl3 Cl 0.5816(2) 0.20524(18) 0.06500(13) 0.0665(15) Uani 1 1 d . . . . .
Cl4 Cl 0.8106(3) 0.4914(2) -0.10622(16) 0.0916(19) Uani 1 1 d . . . . .
Cl5 Cl 1.1606(3) 0.9165(3) -0.18392(17) 0.112(3) Uani 1 1 d . . . . .
Cl6 Cl 1.0100(4) 0.2566(4) 0.2930(4) 0.089(4) Uani 0.5 1 d . . P . .
O1 O 0.6580(6) 1.0017(5) -0.9362(4) 0.082(4) Uiso 1 1 d . . . . .
O2 O 0.8867(10) 0.9160(8) -0.4678(6) 0.169(9) Uiso 1 1 d . . . . .
O3 O 1.3115(4) 1.0247(4) -0.5016(3) 0.042(3) Uiso 1 1 d . . . . .
O4 O 1.0788(3) 0.9873(3) -0.7371(2) 0.0151(18) Uiso 1 1 d . . . . .
O5 O 1.1855(3) 0.8484(3) -0.6839(2) 0.0193(19) Uiso 1 1 d . . . . .
O6 O 1.3289(4) 0.8836(3) -0.5743(2) 0.026(2) Uiso 1 1 d . . . . .
O7 O 1.2852(3) 0.9045(3) -0.6524(2) 0.0200(19) Uiso 1 1 d . . . . .
O8 O 1.0013(3) 0.8355(3) -0.8401(2) 0.0184(19) Uiso 1 1 d . . . . .
O9 O 1.0096(3) 0.8000(3) -0.5989(2) 0.0169(18) Uiso 1 1 d . . . . .
O10 O 0.9712(3) 0.8588(3) -0.6958(2) 0.0165(18) Uiso 1 1 d . . . . .
O11 O 1.1153(3) 0.7899(3) -0.5385(2) 0.0176(18) Uiso 1 1 d . . . . .
O12 O 1.0197(3) 1.0519(3) -0.3569(2) 0.0161(18) Uiso 1 1 d . . . . .
O13 O 0.9360(3) 0.7774(3) -0.6473(2) 0.0170(18) Uiso 1 1 d . . . . .
O14 O 1.0181(3) 0.6975(3) -0.6227(2) 0.0201(19) Uiso 1 1 d . . . . .
O15 O 1.1322(4) 0.6694(3) -0.6215(2) 0.024(2) Uiso 1 1 d . . . . .
O16 O 0.8786(3) 0.8337(3) -0.7146(2) 0.0190(19) Uiso 1 1 d . . . . .
O17 O 1.1816(3) 0.9668(3) -0.6742(2) 0.0189(19) Uiso 1 1 d . . . . .
O18 O 1.2109(4) 0.9935(3) -0.7455(2) 0.023(2) Uiso 1 1 d . . . . .
O19 O 1.0645(4) 1.0541(3) -0.2686(2) 0.0211(19) Uiso 1 1 d . . . . .
O20 O 1.0906(3) 0.8835(3) -0.5767(2) 0.0132(17) Uiso 1 1 d . . . . .
O21 O 0.9140(4) 0.6513(3) -0.6601(2) 0.023(2) Uiso 1 1 d . . . . .
O22 O 0.8908(4) 1.0334(3) -0.1781(2) 0.024(2) Uiso 1 1 d . . . . .
O23 O 1.1992(4) 0.7070(3) -0.4972(2) 0.023(2) Uiso 1 1 d . . . . .
O24 O 1.0666(4) 0.7602(3) -0.6699(2) 0.023(2) Uiso 1 1 d . . . . .
O25 O 1.0011(4) 0.9555(3) -0.3670(2) 0.0213(19) Uiso 1 1 d . . . . .
O26 O 1.1785(3) 0.9325(3) -0.6167(2) 0.0161(18) Uiso 1 1 d . . . . .
O27 O 1.1207(4) 0.9152(3) -0.7431(2) 0.024(2) Uiso 1 1 d . . . . .
O28 O 0.9150(3) 1.0788(3) -0.4897(2) 0.0125(17) Uiso 1 1 d . . . . .
O29 O 1.0584(4) 0.8821(3) -0.6397(2) 0.022(2) Uiso 1 1 d . . . . .
O30 O 0.8487(4) 1.2298(3) -0.5526(2) 0.023(2) Uiso 1 1 d . . . . .
O31 O 0.8628(4) 0.7231(3) -0.7071(2) 0.022(2) Uiso 1 1 d . . . . .
O32 O 0.8052(3) 0.9749(3) -0.4344(2) 0.0163(18) Uiso 1 1 d . . . . .
O33 O 1.2797(3) 0.9534(3) -0.5242(2) 0.0192(19) Uiso 1 1 d . . . . .
O34 O 1.0569(4) 0.9254(3) -0.7057(2) 0.022(2) Uiso 1 1 d . . . . .
O35 O 1.0496(3) 0.9177(3) -0.4317(2) 0.0205(19) Uiso 1 1 d . . . . .
O36 O 0.9256(3) 0.9304(3) -0.3200(2) 0.0177(18) Uiso 1 1 d . . . . .
O37 O 1.0143(3) 0.7188(3) -0.7500(2) 0.0163(18) Uiso 1 1 d . . . . .
O38 O 0.9715(4) 0.8498(3) -0.1737(3) 0.037(2) Uiso 1 1 d . . . . .
O39 O 0.8070(3) 0.9275(3) -0.3575(2) 0.0165(18) Uiso 1 1 d . . . . .
O40 O 0.9280(4) 0.9226(3) -0.2387(2) 0.025(2) Uiso 1 1 d . . . . .
O41 O 1.0494(3) 0.6135(3) -0.7408(2) 0.0189(19) Uiso 1 1 d . . . . .
O42 O 1.1922(4) 0.8540(3) -0.7695(2) 0.0210(19) Uiso 1 1 d . . . . .
O43 O 0.6787(3) 1.0339(3) -0.2950(2) 0.0175(18) Uiso 1 1 d . . . . .
O44 O 1.0695(4) 0.6191(3) -0.5678(2) 0.024(2) Uiso 1 1 d . . . . .
O45 O 1.1278(3) 0.8337(3) -0.6150(2) 0.0178(18) Uiso 1 1 d . . . . .
O46 O 0.7075(4) 0.8727(3) -0.3369(2) 0.029(2) Uiso 1 1 d . . . . .
O47 O 0.9284(3) 0.8185(3) -0.5361(2) 0.0195(19) Uiso 1 1 d . . . . .
O48 O 0.9903(4) 1.0038(3) -0.1249(2) 0.030(2) Uiso 1 1 d . . . . .
O49 O 1.1051(4) 1.2205(3) -0.1398(2) 0.026(2) Uiso 1 1 d . . . . .
O50 O 0.8734(4) 0.9460(3) -0.6169(2) 0.023(2) Uiso 1 1 d . . . . .
O51 O 0.9317(4) 0.8487(3) -0.6203(2) 0.028(2) Uiso 1 1 d . . . . .
O52 O 0.8833(4) 1.1594(3) -0.5305(2) 0.0209(19) Uiso 1 1 d . . . . .
O53 O 0.8660(3) 1.0159(3) -0.5592(2) 0.0204(19) Uiso 1 1 d . . . . .
O54 O 0.8291(4) 0.7891(3) -0.6023(2) 0.024(2) Uiso 1 1 d . . . . .
O55 O 1.3251(4) 0.9848(3) -0.7832(2) 0.031(2) Uiso 1 1 d . . . . .
O56 O 1.1130(3) 0.9886(3) -0.6422(2) 0.0195(19) Uiso 1 1 d . . . . .
O57 O 1.3178(4) 0.8108(3) -0.6407(2) 0.026(2) Uiso 1 1 d . . . . .
O58 O 0.9240(4) 0.6971(3) -0.8110(2) 0.026(2) Uiso 1 1 d . . . . .
O59 O 1.0583(4) 0.8215(3) -0.7630(3) 0.033(2) Uiso 1 1 d . . . . .
O60 O 1.2750(4) 0.9198(3) -0.7779(2) 0.022(2) Uiso 1 1 d . . . . .
O61 O 0.9127(4) 0.8573(3) -0.7884(2) 0.027(2) Uiso 1 1 d . . . . .
O62 O 1.4068(4) 0.8829(3) -0.6036(2) 0.029(2) Uiso 1 1 d . . . . .
O63 O 0.8338(4) 0.8643(3) -0.2938(2) 0.022(2) Uiso 1 1 d . . . . .
O64 O 1.2329(4) 0.6592(3) -0.6134(2) 0.023(2) Uiso 1 1 d . . . . .
O65 O 1.1989(4) 0.7639(3) -0.6284(2) 0.0209(19) Uiso 1 1 d . . . . .
O66 O 0.9391(4) 1.0997(3) -0.1205(2) 0.028(2) Uiso 1 1 d . . . . .
O67 O 1.2884(4) 0.7892(3) -0.5682(2) 0.025(2) Uiso 1 1 d . . . . .
O68 O 1.3266(4) 0.7331(3) -0.6286(2) 0.0204(19) Uiso 1 1 d . . . . .
O69 O 0.8506(4) 0.6137(3) -0.7300(2) 0.030(2) Uiso 1 1 d . . . . .
O70 O 0.7987(4) 1.0926(3) -0.5217(2) 0.022(2) Uiso 1 1 d . . . . .
O71 O 0.7283(4) 0.7894(3) -0.7929(2) 0.028(2) Uiso 1 1 d . . . . .
O72 O 1.0401(4) 0.6629(3) -0.8186(2) 0.027(2) Uiso 1 1 d . . . . .
O73 O 0.9308(4) 0.6526(3) -0.7406(2) 0.025(2) Uiso 1 1 d . . . . .
O74 O 0.8183(4) 0.9287(3) -0.8168(2) 0.030(2) Uiso 1 1 d . . . . .
O75 O 0.7192(4) 0.9194(3) -0.2226(2) 0.031(2) Uiso 1 1 d . . . . .
O76 O 1.1178(4) 0.8076(3) -0.8432(2) 0.032(2) Uiso 1 1 d . . . . .
O77 O 1.2225(3) 0.8731(3) -0.5500(2) 0.0182(19) Uiso 1 1 d . . . . .
O78 O 0.9288(4) 1.0013(3) -0.4299(3) 0.037(2) Uiso 1 1 d . . . . .
O79 O 1.0862(3) 0.6938(3) -0.5486(2) 0.0186(19) Uiso 1 1 d . . . . .
O80 O 1.0493(4) 1.2285(3) -0.0933(2) 0.031(2) Uiso 1 1 d . . . . .
O81 O 1.3192(4) 0.8230(3) -0.7706(2) 0.027(2) Uiso 1 1 d . . . . .
O82 O 1.3136(4) 0.8577(3) -0.7141(2) 0.022(2) Uiso 1 1 d . . . . .
O83 O 1.1855(4) 0.8945(3) -0.8412(2) 0.026(2) Uiso 1 1 d . . . . .
O84 O 1.2171(4) 0.7942(3) -0.8376(2) 0.027(2) Uiso 1 1 d . . . . .
O85 O 0.8872(4) 1.0051(3) -0.6919(2) 0.024(2) Uiso 1 1 d . . . . .
O86 O 1.3415(4) 0.8172(3) -0.5122(2) 0.024(2) Uiso 1 1 d . . . . .
O87 O 0.9569(4) 0.7905(3) -0.7259(2) 0.022(2) Uiso 1 1 d . . . . .
O88 O 0.8518(4) 0.7716(3) -0.7922(2) 0.023(2) Uiso 1 1 d . . . . .
O89 O 1.2134(4) 1.1662(3) -0.1528(2) 0.028(2) Uiso 1 1 d . . . . .
O90 O 0.8149(4) 0.8673(3) -0.6498(2) 0.025(2) Uiso 1 1 d . . . . .
O91 O 0.9075(4) 0.9348(3) -0.1656(2) 0.029(2) Uiso 1 1 d . . . . .
O92 O 0.8011(4) 0.7034(3) -0.6509(2) 0.028(2) Uiso 1 1 d . . . . .
O93 O 1.0272(4) 0.7407(3) -0.8328(2) 0.028(2) Uiso 1 1 d . . . . .
O94 O 0.9894(4) 1.0725(3) -0.2017(2) 0.028(2) Uiso 1 1 d . . . . .
O95 O 1.2034(4) 0.7243(3) -0.5582(2) 0.0210(19) Uiso 1 1 d . . . . .
O96 O 0.7035(4) 1.1178(3) -0.5358(2) 0.026(2) Uiso 1 1 d . . . . .
O97 O 1.1844(4) 1.0731(3) -0.2636(2) 0.030(2) Uiso 1 1 d . . . . .
O98 O 0.8756(4) 0.8458(3) -0.3653(2) 0.029(2) Uiso 1 1 d . . . . .
O99 O 0.5957(4) 1.0723(3) -0.3249(2) 0.028(2) Uiso 1 1 d . . . . .
O100 O 1.0861(4) 1.0023(3) -0.1712(3) 0.034(2) Uiso 1 1 d . . . . .
O101 O 1.0395(4) 0.6448(3) -0.6850(2) 0.026(2) Uiso 1 1 d . . . . .
O102 O 0.8765(4) 0.8236(3) -0.2401(2) 0.030(2) Uiso 1 1 d . . . . .
O103 O 0.7110(4) 0.8907(3) -0.7977(2) 0.032(2) Uiso 1 1 d . . . . .
O104 O 0.8194(5) 0.9484(4) -0.5554(3) 0.052(3) Uiso 1 1 d . . . . .
O105 O 0.7446(4) 0.9950(3) -0.7960(3) 0.037(2) Uiso 1 1 d . . . . .
O106 O 0.7433(4) 0.6628(3) -0.7242(3) 0.035(2) Uiso 1 1 d . . . . .
O107 O 0.7485(4) 0.8429(4) -0.4042(3) 0.045(3) Uiso 1 1 d D U . . .
O108 O 0.7304(4) 0.7428(3) -0.8431(3) 0.041(3) Uiso 1 1 d . . . . .
O109 O 0.7335(4) 0.9357(3) -0.3003(2) 0.027(2) Uiso 1 1 d . . . . .
O110 O 0.7582(4) 0.8356(3) -0.7249(2) 0.023(2) Uiso 1 1 d . . . . .
O111 O 0.9614(4) 0.7549(3) -0.4627(3) 0.034(2) Uiso 1 1 d . . . . .
O112 O 0.9634(4) 1.1617(3) -0.0815(3) 0.033(2) Uiso 1 1 d . . . . .
O113 O 1.0341(4) 0.7640(3) -0.4964(2) 0.0206(19) Uiso 1 1 d . . . . .
O114 O 0.8167(4) 0.9146(3) -0.2276(2) 0.029(2) Uiso 1 1 d . . . . .
O115 O 0.7187(4) 0.7886(3) -0.6554(2) 0.026(2) Uiso 1 1 d . . . . .
O116 O 0.7390(4) 0.7423(3) -0.7224(2) 0.027(2) Uiso 1 1 d . . . . .
O117 O 0.8708(4) 1.0444(3) -0.6396(2) 0.029(2) Uiso 1 1 d . . . . .
O118 O 1.0425(4) 0.9646(3) -0.2461(2) 0.027(2) Uiso 1 1 d . . . . .
O119 O 1.0706(4) 0.9668(4) -0.0916(3) 0.040(3) Uiso 1 1 d . . . . .
O120 O 0.7486(4) 0.7031(3) -0.6034(3) 0.033(2) Uiso 1 1 d . . . . .
O121 O 0.7415(4) 0.8535(3) -0.5906(2) 0.031(2) Uiso 1 1 d . . . . .
O122 O 0.8245(4) 0.9986(3) -0.5086(2) 0.021(2) Uiso 1 1 d . . . . .
O123 O 0.9595(4) 0.9126(4) -0.5551(3) 0.043(3) Uiso 1 1 d . . . . .
O124 O 0.7214(5) 0.9892(4) -0.8806(3) 0.050(3) Uiso 1 1 d . . . . .
O125 O 0.6578(5) 0.9969(4) -0.7782(3) 0.048(3) Uiso 1 1 d . . . . .
O126 O 1.2685(4) 1.1111(3) -0.1171(3) 0.035(2) Uiso 1 1 d . . . . .
O127 O 0.6982(4) 0.8988(3) -0.5505(3) 0.040(3) Uiso 1 1 d . . . . .
O128 O 1.1318(4) 0.7562(4) -0.7249(3) 0.049(3) Uiso 1 1 d D U . . .
O129 O 0.6352(4) 0.8513(3) -0.7806(3) 0.037(2) Uiso 1 1 d . . . . .
O130 O 1.1704(4) 0.9441(3) -0.8904(3) 0.040(3) Uiso 1 1 d . . . . .
O131 O 0.9738(4) 0.5953(3) -0.6299(2) 0.028(2) Uiso 1 1 d . . . . .
O132 O 0.8781(4) 0.9642(3) -0.1140(3) 0.038(2) Uiso 1 1 d . . . . .
O133 O 1.0288(4) 0.9145(3) -0.1675(2) 0.032(2) Uiso 1 1 d . . . . .
O134 O 0.6402(4) 0.8044(3) -0.7036(3) 0.037(2) Uiso 1 1 d . . . . .
O135 O 0.8175(5) 0.8493(4) -0.5205(3) 0.049(3) Uiso 1 1 d . . . . .
O136 O 0.9973(4) 0.8650(3) -0.4720(2) 0.031(2) Uiso 1 1 d . . . . .
O137 O 0.7151(5) 0.8691(5) -0.4618(4) 0.090(4) Uiso 1 1 d D U . . .
O138 O 0.8346(4) 0.6927(3) -0.8522(3) 0.036(2) Uiso 1 1 d . . . . .
O139 O 0.9053(4) 0.7925(4) -0.4038(3) 0.044(3) Uiso 1 1 d . . . . .
O140 O 0.9684(5) 0.8802(4) -0.4187(3) 0.062(3) Uiso 1 1 d . . . . .
O141 O 1.2278(5) 0.7626(5) -0.7137(4) 0.077(4) Uiso 1 1 d D U . . .
N1 N 0.6219(5) 0.9526(4) -0.2884(3) 0.027(3) Uiso 1 1 d . . . . .
H1A H 0.6042 0.9334 -0.2705 0.032 Uiso 1 1 calc R U . . .
N2 N 0.9546(5) 1.0360(4) -0.0619(3) 0.028(3) Uiso 1 1 d . . . . .
H4AA H 0.9282 1.0234 -0.0455 0.034 Uiso 1 1 calc R U . . .
N3 N 1.2112(5) 1.2253(4) -0.0910(3) 0.033(3) Uiso 1 1 d . . . . .
H3C H 1.2435 1.2472 -0.0801 0.039 Uiso 1 1 calc R U . . .
N4 N 0.6396(5) 0.9423(4) -0.8499(3) 0.039(3) Uiso 1 1 d . . . . .
H4A H 0.6270 0.9692 -0.8359 0.047 Uiso 1 1 calc R U . . .
N5 N 1.1051(5) 0.5779(4) -0.6412(3) 0.029(3) Uiso 1 1 d . . . . .
H5C H 1.0953 0.5485 -0.6290 0.035 Uiso 1 1 calc R U . . .
N6 N 1.4148(5) 0.8148(4) -0.6751(3) 0.025(3) Uiso 1 1 d . . . . .
H6A H 1.4572 0.8234 -0.6675 0.030 Uiso 1 1 calc R U . . .
N7 N 0.6331(5) 0.7421(4) -0.7754(3) 0.035(3) Uiso 1 1 d . . . . .
H7A H 0.5906 0.7484 -0.7761 0.041 Uiso 1 1 calc R U . . .
N8 N 1.0861(5) 0.7346(4) -0.8931(3) 0.028(3) Uiso 1 1 d . . . . .
H8C H 1.0743 0.7313 -0.9211 0.033 Uiso 1 1 calc R U . . .
N9 N 1.3017(5) 0.8821(4) -0.8440(3) 0.033(3) Uiso 1 1 d . . . . .
H9C H 1.3276 0.8569 -0.8507 0.040 Uiso 1 1 calc R U . . .
N10 N 0.8194(4) 1.1141(3) -0.5930(3) 0.020(2) Uiso 1 1 d . . . . .
H10A H 0.8259 1.0970 -0.6159 0.023 Uiso 1 1 calc R U . . .
N11 N 0.8134(5) 0.6083(4) -0.6527(3) 0.023(2) Uiso 1 1 d . . . . .
H11C H 0.7820 0.5870 -0.6658 0.028 Uiso 1 1 calc R U . . .
N12 N 0.9356(5) 0.6021(4) -0.8038(3) 0.028(3) Uiso 1 1 d . . . . .
H12A H 0.9598 0.5782 -0.8139 0.034 Uiso 1 1 calc R U . . .
N13 N 0.7983(4) 1.0550(3) -0.7395(3) 0.022(2) Uiso 1 1 d . . . . .
H13B H 0.8126 1.0564 -0.7602 0.026 Uiso 1 1 calc R U . . .
N14 N 1.0829(5) 0.6760(4) -0.4756(3) 0.027(3) Uiso 1 1 d . . . . .
H14A H 1.1073 0.6703 -0.4500 0.032 Uiso 1 1 calc R U . . .
N15 N 0.8399(5) 0.8567(4) -0.1665(3) 0.031(3) Uiso 1 1 d . . . . .
H15C H 0.8490 0.8234 -0.1600 0.037 Uiso 1 1 calc R U . . .
N16 N 1.3198(4) 0.6978(3) -0.5480(3) 0.018(2) Uiso 1 1 d . . . . .
H16A H 1.3445 0.6730 -0.5565 0.022 Uiso 1 1 calc R U . . .
N17 N 1.3927(5) 0.9162(4) -0.5074(3) 0.027(3) Uiso 1 1 d . . . . .
H17C H 1.4145 0.9021 -0.4834 0.033 Uiso 1 1 calc R U . . .
N18 N 0.8056(5) 0.7845(4) -0.3369(3) 0.026(3) Uiso 1 1 d . . . . .
H18A H 0.7671 0.7682 -0.3386 0.032 Uiso 1 1 calc R U . . .
N19 N 0.6501(5) 0.7878(4) -0.6006(3) 0.037(3) Uiso 1 1 d . . . . .
H19A H 0.6338 0.7591 -0.5910 0.044 Uiso 1 1 calc R U . . .
C38 C 0.7521(5) 1.1063(4) -0.5454(3) 0.016(3) Uiso 1 1 d . . . . .
C39 C 0.8342(5) 1.1641(4) -0.5955(3) 0.016(3) Uiso 1 1 d . . . . .
H39A H 0.7990 1.1811 -0.6086 0.019 Uiso 1 1 calc R U . . .
H39B H 0.8650 1.1674 -0.6108 0.019 Uiso 1 1 calc R U . . .
C40 C 0.8559(5) 1.1861(4) -0.5569(3) 0.023(3) Uiso 1 1 d . . . . .
C41 C 0.8713(6) 0.5813(5) -0.6424(4) 0.031(3) Uiso 1 1 d . . . . .
H41A H 0.8745 0.5678 -0.6170 0.037 Uiso 1 1 calc R U . . .
H41B H 0.8710 0.5554 -0.6605 0.037 Uiso 1 1 calc R U . . .
C42 C 0.9245(5) 0.6119(4) -0.6430(3) 0.022(3) Uiso 1 1 d . . . . .
C43 C 0.7930(6) 0.6312(5) -0.6198(4) 0.030(3) Uiso 1 1 d . . . . .
H43A H 0.8240 0.6275 -0.5970 0.036 Uiso 1 1 calc R U . . .
H43B H 0.7577 0.6146 -0.6153 0.036 Uiso 1 1 calc R U . . .
C44 C 0.7782(6) 0.6837(5) -0.6255(4) 0.031(3) Uiso 1 1 d . . . . .
C45 C 0.9079(7) 0.5818(5) -0.7731(4) 0.040(4) Uiso 1 1 d . . . . .
H45A H 0.9348 0.5585 -0.7587 0.048 Uiso 1 1 calc R U . . .
H45B H 0.8711 0.5656 -0.7845 0.048 Uiso 1 1 calc R U . . .
C46 C 0.8944(6) 0.6193(5) -0.7463(3) 0.025(3) Uiso 1 1 d . . . . .
C47 C 0.8818(6) 0.6756(5) -0.8335(4) 0.026(3) Uiso 1 1 d . . . . .
C48 C 0.8880(7) 0.6214(5) -0.8352(4) 0.038(4) Uiso 1 1 d . . . . .
H48A H 0.8500 0.6070 -0.8334 0.046 Uiso 1 1 calc R U . . .
H48B H 0.8973 0.6127 -0.8598 0.046 Uiso 1 1 calc R U . . .
C49 C 0.7401(7) 1.0304(6) -0.7362(4) 0.045(4) Uiso 1 1 d . . . . .
H49A H 0.7481 1.0076 -0.7153 0.054 Uiso 1 1 calc R U . . .
H49B H 0.7125 1.0539 -0.7298 0.054 Uiso 1 1 calc R U . . .
C50 C 0.7114(6) 1.0058(5) -0.7712(4) 0.032(3) Uiso 1 1 d . . . . .
C51 C 0.8266(6) 1.0756(5) -0.7029(4) 0.033(3) Uiso 1 1 d . . . . .
H51A H 0.7960 1.0897 -0.6909 0.039 Uiso 1 1 calc R U . . .
H51B H 0.8535 1.1007 -0.7075 0.039 Uiso 1 1 calc R U . . .
C52 C 0.8614(5) 1.0394(4) -0.6758(3) 0.020(3) Uiso 1 1 d . . . . .
C53 C 1.0873(6) 0.6351(5) -0.5003(3) 0.029(3) Uiso 1 1 d . . . . .
H53A H 1.0569 0.6120 -0.4974 0.035 Uiso 1 1 calc R U . . .
H53B H 1.1262 0.6202 -0.4924 0.035 Uiso 1 1 calc R U . . .
C54 C 1.0790(6) 0.6498(5) -0.5426(4) 0.025(3) Uiso 1 1 d . . . . .
C1A C 0.9367(5) 0.8273(4) -0.7120(3) 0.022(3) Uiso 1 1 d . . . . .
C2A C 1.0851(5) 0.9434(4) -0.7289(3) 0.020(3) Uiso 1 1 d . . . . .
C3A C 0.8365(6) 0.9893(5) -0.5417(3) 0.023(3) Uiso 1 1 d . . . . .
C4A C 1.0061(5) 0.8895(4) -0.4411(3) 0.023(3) Uiso 1 1 d . . . . .
C5A C 1.0903(5) 0.8671(4) -0.6105(3) 0.021(3) Uiso 1 1 d . . . . .
C6A C 0.9615(5) 0.8073(4) -0.6217(3) 0.016(3) Uiso 1 1 d . . . . .
C7A C 1.1566(5) 0.9613(4) -0.6444(3) 0.016(3) Uiso 1 1 d . . . . .
C8A C 0.7643(5) 0.8618(6) -0.4346(3) 0.082(4) Uiso 1 1 d D U . . .
C72 C 0.8513(6) 0.8254(5) -0.2747(3) 0.024(3) Uiso 1 1 d . . . . .
C73 C 0.6217(6) 0.7947(5) -0.6406(4) 0.039(4) Uiso 1 1 d . . . . .
H73A H 0.5996 0.8243 -0.6427 0.047 Uiso 1 1 calc R U . . .
H73B H 0.5928 0.7694 -0.6480 0.047 Uiso 1 1 calc R U . . .
C74 C 0.6636(7) 0.7958(6) -0.6691(4) 0.042(4) Uiso 1 1 d . . . . .
C75 C 0.6463(7) 0.8272(6) -0.5737(5) 0.055(5) Uiso 1 1 d . . . . .
H75A H 0.6457 0.8144 -0.5484 0.066 Uiso 1 1 calc R U . . .
H75B H 0.6093 0.8445 -0.5823 0.066 Uiso 1 1 calc R U . . .
C76 C 0.7005(7) 0.8619(5) -0.5710(4) 0.041(4) Uiso 1 1 d . . . . .
C55 C 1.0190(6) 0.6880(4) -0.4720(4) 0.026(3) Uiso 1 1 d . . . . .
H55A H 0.9915 0.6702 -0.4911 0.032 Uiso 1 1 calc R U . . .
H55B H 1.0129 0.6782 -0.4469 0.032 Uiso 1 1 calc R U . . .
C56 C 1.0047(6) 0.7399(5) -0.4772(4) 0.028(3) Uiso 1 1 d . . . . .
C57 C 0.8517(6) 0.8844(5) -0.1318(4) 0.032(3) Uiso 1 1 d . . . . .
H57A H 0.8784 0.8670 -0.1119 0.038 Uiso 1 1 calc R U . . .
H57B H 0.8145 0.8900 -0.1230 0.038 Uiso 1 1 calc R U . . .
C58 C 0.8802(6) 0.9318(5) -0.1385(4) 0.028(3) Uiso 1 1 d . . . . .
C59 C 0.7709(6) 0.9017(5) -0.2139(4) 0.025(3) Uiso 1 1 d . . . . .
C60 C 0.7801(6) 0.8603(5) -0.1881(4) 0.036(4) Uiso 1 1 d . . . . .
H60A H 0.7526 0.8622 -0.1704 0.043 Uiso 1 1 calc R U . . .
H60B H 0.7707 0.8317 -0.2033 0.043 Uiso 1 1 calc R U . . .
C61 C 1.2824(5) 0.6771(4) -0.5236(3) 0.018(3) Uiso 1 1 d . . . . .
H61A H 1.3040 0.6772 -0.4971 0.021 Uiso 1 1 calc R U . . .
H61B H 1.2735 0.6444 -0.5311 0.021 Uiso 1 1 calc R U . . .
C62 C 1.2227(6) 0.7051(4) -0.5264(3) 0.023(3) Uiso 1 1 d . . . . .
C63 C 1.3260(6) 0.7849(5) -0.5366(4) 0.025(3) Uiso 1 1 d . . . . .
C64 C 1.3592(5) 0.7376(4) -0.5299(3) 0.017(3) Uiso 1 1 d . . . . .
H64A H 1.3951 0.7389 -0.5408 0.020 Uiso 1 1 calc R U . . .
H64B H 1.3713 0.7319 -0.5025 0.020 Uiso 1 1 calc R U . . .
C65 C 1.3852(7) 0.9668(6) -0.5012(5) 0.046(4) Uiso 1 1 d . . . . .
H65A H 1.4066 0.9847 -0.5176 0.055 Uiso 1 1 calc R U . . .
H65B H 1.4024 0.9746 -0.4747 0.055 Uiso 1 1 calc R U . . .
C66 C 1.3186(5) 0.9814(4) -0.5100(3) 0.022(3) Uiso 1 1 d . . . . .
C67 C 1.4241(7) 0.9053(6) -0.5375(4) 0.051(4) Uiso 1 1 d . . . . .
H67A H 1.4520 0.8797 -0.5289 0.061 Uiso 1 1 calc R U . . .
H67B H 1.4475 0.9328 -0.5418 0.061 Uiso 1 1 calc R U . . .
C68 C 1.3846(6) 0.8909(5) -0.5756(4) 0.028(3) Uiso 1 1 d . . . . .
C69 C 0.8763(6) 0.8059(5) -0.3787(4) 0.036(4) Uiso 1 1 d . . . . .
C70 C 0.8364(6) 0.7670(5) -0.3661(4) 0.039(4) Uiso 1 1 d . . . . .
H70A H 0.8072 0.7565 -0.3882 0.046 Uiso 1 1 calc R U . . .
H70B H 0.8610 0.7400 -0.3562 0.046 Uiso 1 1 calc R U . . .
C71 C 0.8407(7) 0.7806(5) -0.2985(4) 0.037(4) Uiso 1 1 d . . . . .
H71A H 0.8794 0.7675 -0.3004 0.045 Uiso 1 1 calc R U . . .
H71B H 0.8212 0.7578 -0.2846 0.045 Uiso 1 1 calc R U . . .
C1 C 0.6211(6) 1.0371(5) -0.3083(3) 0.024(3) Uiso 1 1 d . . . . .
C2 C 0.5829(6) 0.9940(5) -0.3000(4) 0.032(3) Uiso 1 1 d . . . . .
H2A H 0.5617 1.0021 -0.2797 0.038 Uiso 1 1 calc R U . . .
H2B H 0.5535 0.9864 -0.3229 0.038 Uiso 1 1 calc R U . . .
C3 C 0.6321(6) 0.9217(5) -0.3202(4) 0.034(3) Uiso 1 1 d . . . . .
H3A H 0.6085 0.8931 -0.3200 0.041 Uiso 1 1 calc R U . . .
H3B H 0.6173 0.9379 -0.3443 0.041 Uiso 1 1 calc R U . . .
C4 C 0.6948(5) 0.9079(4) -0.3191(3) 0.020(3) Uiso 1 1 d . . . . .
C5 C 0.6227(6) 0.9529(5) -0.8916(4) 0.038(4) Uiso 1 1 d . . . . .
H5A H 0.5848 0.9696 -0.8969 0.045 Uiso 1 1 calc R U . . .
H5B H 0.6182 0.9236 -0.9062 0.045 Uiso 1 1 calc R U . . .
C6 C 0.6704(8) 0.9830(6) -0.9036(5) 0.052(5) Uiso 1 1 d . . . . .
C7 C 0.6566(7) 0.8803(5) -0.8012(4) 0.041(4) Uiso 1 1 d . . . . .
C8 C 0.6166(6) 0.8997(5) -0.8357(4) 0.038(4) Uiso 1 1 d . . . . .
H8A H 0.6109 0.8758 -0.8558 0.045 Uiso 1 1 calc R U . . .
H8B H 0.5778 0.9064 -0.8295 0.045 Uiso 1 1 calc R U . . .
C9 C 1.2323(7) 1.1759(5) -0.0850(4) 0.044(4) Uiso 1 1 d . . . . .
H9A H 1.2039 1.1584 -0.0732 0.053 Uiso 1 1 calc R U . . .
H9B H 1.2702 1.1760 -0.0668 0.053 Uiso 1 1 calc R U . . .
C10 C 1.2408(7) 1.1494(5) -0.1207(4) 0.038(4) Uiso 1 1 d . . . . .
C11 C 1.1569(6) 1.2373(5) -0.0770(4) 0.038(4) Uiso 1 1 d . . . . .
H11A H 1.1577 1.2710 -0.0711 0.046 Uiso 1 1 calc R U . . .
H11B H 1.1573 1.2203 -0.0531 0.046 Uiso 1 1 calc R U . . .
C12 C 1.1009(6) 1.2265(5) -0.1035(4) 0.030(3) Uiso 1 1 d . . . . .
C13 C 1.0058(8) 1.0076(6) -0.0575(5) 0.059(5) Uiso 1 1 d . . . . .
H13A H 0.9989 0.9796 -0.0430 0.071 Uiso 1 1 calc R U . . .
H13C H 1.0387 1.0249 -0.0420 0.071 Uiso 1 1 calc R U . . .
C14 C 1.0254(6) 0.9914(5) -0.0936(4) 0.036(4) Uiso 1 1 d . . . . .
C15 C 0.9653(8) 1.0847(6) -0.0531(5) 0.058(5) Uiso 1 1 d . . . . .
H15A H 1.0058 1.0880 -0.0385 0.070 Uiso 1 1 calc R U . . .
H15B H 0.9382 1.0948 -0.0367 0.070 Uiso 1 1 calc R U . . .
C16 C 0.9577(7) 1.1179(5) -0.0876(4) 0.039(4) Uiso 1 1 d . . . . .
C17 C 1.1672(6) 0.5907(5) -0.6255(4) 0.028(3) Uiso 1 1 d . . . . .
H17A H 1.1921 0.5788 -0.6427 0.034 Uiso 1 1 calc R U . . .
H17B H 1.1795 0.5749 -0.6010 0.034 Uiso 1 1 calc R U . . .
C18 C 1.1787(5) 0.6440(4) -0.6197(3) 0.022(3) Uiso 1 1 d . . . . .
C19 C 1.0584(5) 0.6128(4) -0.7060(3) 0.023(3) Uiso 1 1 d . . . . .
C20 C 1.0910(6) 0.5717(5) -0.6835(3) 0.024(3) Uiso 1 1 d . . . . .
H20A H 1.0668 0.5434 -0.6894 0.029 Uiso 1 1 calc R U . . .
H20B H 1.1282 0.5665 -0.6923 0.029 Uiso 1 1 calc R U . . .
C21 C 1.3980(7) 0.8109(6) -0.7170(5) 0.052(5) Uiso 1 1 d . . . . .
H21A H 1.3985 0.7776 -0.7238 0.063 Uiso 1 1 calc R U . . .
H21B H 1.4285 0.8267 -0.7281 0.063 Uiso 1 1 calc R U . . .
C22 C 1.3381(5) 0.8312(4) -0.7352(3) 0.021(3) Uiso 1 1 d . . . . .
C23 C 1.4025(7) 0.7711(5) -0.6556(4) 0.042(4) Uiso 1 1 d . . . . .
H23A H 1.4358 0.7651 -0.6346 0.051 Uiso 1 1 calc R U . . .
H23B H 1.4007 0.7449 -0.6736 0.051 Uiso 1 1 calc R U . . .
C24 C 1.3457(5) 0.7714(4) -0.6401(3) 0.020(3) Uiso 1 1 d . . . . .
C25 C 0.6449(6) 0.7419(6) -0.8148(4) 0.041(4) Uiso 1 1 d . . . . .
H25A H 0.6394 0.7099 -0.8249 0.049 Uiso 1 1 calc R U . . .
H25B H 0.6157 0.7621 -0.8308 0.049 Uiso 1 1 calc R U . . .
C26 C 0.7051(5) 0.7582(4) -0.8176(3) 0.023(3) Uiso 1 1 d . . . . .
C27 C 0.7165(6) 0.7016(5) -0.7317(4) 0.032(3) Uiso 1 1 d . . . . .
C28 C 0.6513(6) 0.6995(5) -0.7534(4) 0.032(3) Uiso 1 1 d . . . . .
H28A H 0.6464 0.6724 -0.7706 0.038 Uiso 1 1 calc R U . . .
H28B H 0.6254 0.6949 -0.7350 0.038 Uiso 1 1 calc R U . . .
C29 C 1.0717(6) 0.6892(5) -0.8747(4) 0.036(4) Uiso 1 1 d . . . . .
H29A H 1.1079 0.6705 -0.8675 0.043 Uiso 1 1 calc R U . . .
H29B H 1.0433 0.6710 -0.8930 0.043 Uiso 1 1 calc R U . . .
C30 C 1.0452(6) 0.6991(5) -0.8389(3) 0.024(3) Uiso 1 1 d . . . . .
C31 C 1.1471(7) 0.7497(5) -0.8841(4) 0.043(4) Uiso 1 1 d . . . . .
H31A H 1.1574 0.7632 -0.9071 0.052 Uiso 1 1 calc R U . . .
H31B H 1.1720 0.7219 -0.8774 0.052 Uiso 1 1 calc R U . . .
C32 C 1.1633(6) 0.7861(5) -0.8513(4) 0.029(3) Uiso 1 1 d . . . . .
C33 C 1.3389(7) 0.9219(5) -0.8239(4) 0.040(4) Uiso 1 1 d . . . . .
H33A H 1.3442 0.9460 -0.8425 0.048 Uiso 1 1 calc R U . . .
H33B H 1.3781 0.9100 -0.8120 0.048 Uiso 1 1 calc R U . . .
C34 C 1.3083(6) 0.9442(5) -0.7929(4) 0.031(3) Uiso 1 1 d . . . . .
C35 C 1.2615(6) 0.8978(5) -0.8773(4) 0.034(4) Uiso 1 1 d . . . . .
H35A H 1.2547 0.8720 -0.8958 0.041 Uiso 1 1 calc R U . . .
H35B H 1.2801 0.9236 -0.8888 0.041 Uiso 1 1 calc R U . . .
C36 C 1.2024(6) 0.9143(5) -0.8697(4) 0.029(3) Uiso 1 1 d . . . . .
C37 C 0.7581(6) 1.1075(5) -0.5877(4) 0.030(3) Uiso 1 1 d . . . . .
H37A H 0.7427 1.0781 -0.5999 0.035 Uiso 1 1 calc R U . . .
H37B H 0.7336 1.1332 -0.6005 0.035 Uiso 1 1 calc R U . . .
C202 C 1.1772(4) 0.7451(4) -0.7280(3) 0.025(3) Uiso 1 1 d D U . . .
C201 C 1.1798(9) 0.7081(5) -0.7585(4) 0.078(5) Uiso 1 1 d D U . . .
H20D H 1.2209 0.7009 -0.7590 0.118 Uiso 1 1 calc R U . . .
H20E H 1.1598 0.6798 -0.7526 0.118 Uiso 1 1 calc R U . . .
H20F H 1.1604 0.7200 -0.7831 0.118 Uiso 1 1 calc R U . . .
O1H O 0.8212(4) 0.8742(4) -0.4379(3) 0.066(3) Uiso 1 1 d D U . . .
N20 N 1.1199(6) 0.8732(6) -0.1208(5) 0.098(6) Uiso 1 1 d D . . . .
H20G H 1.1470 0.8596 -0.1324 0.118 Uiso 1 1 calc R U . . .
H20H H 1.1332 0.8715 -0.0956 0.118 Uiso 1 1 calc R U . . .
C77 C 1.0636(6) 0.8477(7) -0.1309(6) 0.087(7) Uiso 1 1 d D . . . .
H77A H 1.0468 0.8440 -0.1080 0.104 Uiso 1 1 calc R U . . .
H77B H 1.0716 0.8162 -0.1397 0.104 Uiso 1 1 calc R U . . .
C78 C 1.0187(7) 0.8709(5) -0.1609(4) 0.041(4) Uiso 1 1 d . . . . .
O142 O 0.7867(4) 0.4224(4) 0.1927(3) 0.060(3) Uiso 1 1 d D U . . .
O4W O 0.2162(11) 0.5650(9) -0.4909(7) 0.200(11) Uiso 1 1 d . . . . .
O5W O 0.5319(9) 0.0489(7) 0.3819(6) 0.153(8) Uiso 1 1 d . . . . .
O6W O 0.5920(10) 0.3574(8) 0.4637(6) 0.158(8) Uiso 1 1 d . . . . .
O7W O 0.9632(8) 0.4859(7) 0.2800(5) 0.129(6) Uiso 1 1 d . . . . .
O8W O 0.4618(9) 0.3479(7) -0.1479(5) 0.136(7) Uiso 1 1 d . . . . .
O9W O 0.4899(8) 0.2272(6) -0.1223(5) 0.114(6) Uiso 1 1 d . . . . .
O10W O 0.5651(9) 0.1582(7) -0.1509(6) 0.145(7) Uiso 1 1 d . . . . .
O11W O 0.9206(9) 0.4190(7) 0.0314(5) 0.136(7) Uiso 1 1 d . . . . .
O12W O 0.9184(7) 0.6362(6) 0.0718(5) 0.111(6) Uiso 1 1 d . . . . .
O13W O 1.1866(5) 0.9649(4) -0.1010(3) 0.058(3) Uiso 1 1 d . . . . .
O14W O 0.9287(10) -0.1310(8) -0.0425(6) 0.159(8) Uiso 1 1 d . . . . .
O15W O 0.3298(8) 0.5391(6) -0.4565(5) 0.120(6) Uiso 1 1 d . . . . .
O16W O 0.7180(12) 0.4779(10) -0.4382(8) 0.218(12) Uiso 1 1 d . . . . .
O17W O 0.4795(12) 0.0259(9) 0.0594(7) 0.200(10) Uiso 1 1 d . . . . .
O18W O 1.0057(10) 0.4936(8) 0.3579(7) 0.172(9) Uiso 1 1 d . . . . .
O19W O 0.4833(11) 0.2683(9) -0.2895(7) 0.186(10) Uiso 1 1 d . . . . .
O20W O 1.1084(14) 0.7965(11) -0.0559(9) 0.098(10) Uiso 0.5 1 d . . P . .
O21W O 0.8886(15) -0.0435(12) -0.0205(9) 0.111(11) Uiso 0.5 1 d . . P . .
O22W O 0.9950(11) 0.6895(9) 0.0315(7) 0.187(10) Uiso 1 1 d . . . . .
O24W O 0.7595(5) 0.7699(4) -0.5380(3) 0.052(3) Uiso 1 1 d . . . . .
O23W O 0.8215(6) 0.7637(5) -0.4839(4) 0.084(4) Uiso 1 1 d . . . . .
O26W O 0.4888(4) 0.3554(3) -0.2241(2) 0.029(2) Uiso 1 1 d . . . . .
O25W O 0.3835(5) 0.1984(4) -0.1059(3) 0.054(3) Uiso 1 1 d . . . . .
O3W O 0.5023(15) 0.7126(12) -0.4873(9) 0.111(11) Uiso 0.5 1 d . . P . .
C204 C 0.8451(7) 0.4365(7) 0.1859(5) 0.161(8) Uiso 1 1 d D U . . .
H20C H 0.8681 0.4085 0.1823 0.193 Uiso 1 1 calc R U . . .
H20I H 0.8666 0.4536 0.2081 0.193 Uiso 1 1 calc R U . . .
C203 C 0.8380(16) 0.4668(8) 0.1515(5) 0.203(11) Uiso 1 1 d D U . . .
H20J H 0.8768 0.4760 0.1472 0.305 Uiso 1 1 calc R U . . .
H20K H 0.8171 0.4496 0.1296 0.305 Uiso 1 1 calc R U . . .
H20L H 0.8156 0.4947 0.1553 0.305 Uiso 1 1 calc R U . . .


_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
Pr1 O14 2.444(8) . ?
Pr1 O24 2.445(8) . ?
Pr1 O11 2.460(8) . ?
Pr1 O15 2.490(8) . ?
Pr1 O45 2.506(8) . ?
Pr1 O79 2.523(8) . ?
Pr1 O95 2.564(8) . ?
Pr1 O65 2.568(8) . ?
Pr1 O9 2.593(8) . ?
Pr1 Ni3 3.5389(17) . ?
Pr1 Pr7 4.0106(9) . ?
Pr2 O7 2.434(8) . ?
Pr2 O5 2.473(7) . ?
Pr2 O77 2.478(8) . ?
Pr2 O45 2.494(8) . ?
Pr2 O57 2.498(9) . ?
Pr2 O6 2.516(8) . ?
Pr2 O67 2.540(8) . ?
Pr2 O65 2.586(8) . ?
Pr2 O26 2.646(8) . ?
Pr2 Ni5 3.5374(18) . ?
Pr2 Pr3 4.0175(9) . ?
Pr2 Pr4 4.1400(10) . ?
Pr3 O7 2.416(7) . ?
Pr3 O82 2.456(8) . ?
Pr3 O18 2.464(8) . ?
Pr3 O27 2.478(8) . ?
Pr3 O5 2.513(8) . ?
Pr3 O43 2.515(8) 3_774 ?
Pr3 O42 2.523(8) . ?
Pr3 O17 2.543(8) . ?
Pr3 O60 2.557(8) . ?
Pr3 Ni5 3.4998(17) . ?
Pr4 O59 2.376(9) . ?
Pr4 O5 2.418(8) . ?
Pr4 O24 2.428(8) . ?
Pr4 O29 2.462(8) . ?
Pr4 O10 2.499(8) . ?
Pr4 O34 2.504(8) . ?
Pr4 O45 2.883(7) . ?
Pr4 O128 2.901(10) . ?
Pr5 O94 2.365(9) . ?
Pr5 O8 2.469(8) 3_774 ?
Pr5 O76 2.503(9) 3_774 ?
Pr5 O66 2.503(8) . ?
Pr5 O22 2.518(8) . ?
Pr5 O27 2.523(8) 3_774 ?
Pr5 O59 2.554(9) 3_774 ?
Pr5 O42 2.564(8) 3_774 ?
Pr5 O83 2.637(9) 3_774 ?
Pr5 Ni14 3.5286(17) . ?
Pr5 Ni16 3.5547(18) . ?
Pr5 Pr14 4.0613(11) . ?
Pr6 O122 2.448(8) . ?
Pr6 O32 2.455(8) . ?
Pr6 O28 2.481(7) . ?
Pr6 O77 2.513(8) 3_774 ?
Pr6 O20 2.521(7) 3_774 ?
Pr6 O78 2.537(9) . ?
Pr6 O26 2.625(7) 3_774 ?
Pr6 O33 2.640(8) 3_774 ?
Pr6 O70 2.653(8) . ?
Pr6 Pr12 4.0385(10) . ?
Pr6 Pr20 4.0571(10) . ?
Pr7 O14 2.430(8) . ?
Pr7 O31 2.450(8) . ?
Pr7 O24 2.484(8) . ?
Pr7 O87 2.489(8) . ?
Pr7 O101 2.492(9) . ?
Pr7 O13 2.534(8) . ?
Pr7 O37 2.538(8) . ?
Pr7 O21 2.554(8) . ?
Pr7 O73 2.576(8) . ?
Pr7 Ni3 3.4851(16) . ?
Pr8 O47 2.456(8) . ?
Pr8 O136 2.473(9) . ?
Pr8 O28 2.484(7) 3_774 ?
Pr8 O20 2.492(7) . ?
Pr8 O123 2.517(10) . ?
Pr8 O11 2.520(8) . ?
Pr8 O113 2.637(8) . ?
Pr8 O52 2.655(7) 3_774 ?
Pr8 O9 2.660(7) . ?
Pr8 Pr11 4.0165(10) . ?
Pr8 Pr18 4.0725(11) . ?
Pr9 O61 2.400(9) . ?
Pr9 O87 2.482(8) . ?
Pr9 O8 2.488(8) . ?
Pr9 O49 2.496(8) 3_774 ?
Pr9 O93 2.507(9) . ?
Pr9 O88 2.520(8) . ?
Pr9 O59 2.538(9) . ?
Pr9 O37 2.558(7) . ?
Pr9 O58 2.580(9) . ?
Pr9 Ni14 3.5418(18) 3_774 ?
Pr9 Ni12 3.5698(18) . ?
Pr9 Pr17 4.0797(11) . ?
Pr10 O36 2.419(8) . ?
Pr10 O63 2.461(8) . ?
Pr10 O18 2.463(8) 3_774 ?
Pr10 O39 2.474(7) . ?
Pr10 O109 2.480(8) . ?
Pr10 O40 2.516(8) . ?
Pr10 O4 2.538(7) 3_774 ?
Pr10 O114 2.605(9) . ?
Pr10 O17 2.645(8) 3_774 ?
Pr10 Ni11 3.4472(17) . ?
Pr10 Pr19 3.8988(11) . ?
Pr10 Pr12 4.0411(10) . ?
Pr11 O47 2.469(8) . ?
Pr11 O51 2.487(9) . ?
Pr11 O54 2.509(8) . ?
Pr11 O90 2.511(8) . ?
Pr11 O135 2.531(11) . ?
Pr11 O50 2.545(8) . ?
Pr11 O123 2.554(10) . ?
Pr11 O104 2.560(11) . ?
Pr11 O121 2.678(9) . ?
Pr11 Pr15 3.8608(10) . ?
Pr11 Pr18 3.9934(10) . ?
Pr12 O39 2.480(8) . ?
Pr12 O32 2.485(7) . ?
Pr12 O56 2.516(8) 3_774 ?
Pr12 O36 2.548(7) . ?
Pr12 O78 2.555(10) . ?
Pr12 O25 2.574(8) . ?
Pr12 O140 2.630(12) . ?
Pr12 O1H 2.631(11) . ?
Pr12 O2 2.70(2) . ?
Pr12 O98 2.717(9) . ?
Pr12 Pr19 3.8655(10) . ?
Pr12 Pr20 4.0118(10) . ?
Pr13 O50 2.395(8) . ?
Pr13 O25 2.424(8) 3_774 ?
Pr13 O12 2.460(8) 3_774 ?
Pr13 O78 2.558(9) 3_774 ?
Pr13 O53 2.577(8) . ?
Pr13 O35 2.593(8) 3_774 ?
Pr13 O123 2.604(10) . ?
Pr13 O117 2.765(8) . ?
Pr13 Cl2 3.1270(7) . ?
Pr13 Pr15 3.9402(9) . ?
Pr13 Pr19 3.9673(10) 3_774 ?
Pr14 O94 2.408(9) . ?
Pr14 O100 2.472(9) . ?
Pr14 O133 2.485(9) . ?
Pr14 O40 2.507(8) . ?
Pr14 O48 2.539(9) . ?
Pr14 O4 2.558(7) 3_774 ?
Pr14 O22 2.560(8) . ?
Pr14 O118 2.582(9) . ?
Pr14 O91 2.596(9) . ?
Pr14 Ni19 3.530(2) . ?
Pr14 Pr21 4.0527(12) . ?
Pr15 O12 2.400(7) 3_774 ?
Pr15 O50 2.424(8) . ?
Pr15 O97 2.441(8) 3_774 ?
Pr15 O90 2.478(9) . ?
Pr15 O19 2.533(8) 3_774 ?
Pr15 O16 2.593(8) . ?
Pr15 O10 2.599(8) . ?
Pr15 O85 2.634(8) . ?
Pr15 O51 2.755(8) . ?
Pr15 C1A 3.013(13) . ?
Pr15 Pr19 3.7227(11) 3_774 ?
Pr16 O90 2.423(8) . ?
Pr16 O54 2.459(8) . ?
Pr16 O115 2.468(9) . ?
Pr16 O31 2.487(8) . ?
Pr16 O110 2.499(8) . ?
Pr16 O92 2.521(9) . ?
Pr16 O16 2.577(8) . ?
Pr16 O116 2.591(8) . ?
Pr16 O13 2.659(7) . ?
Pr16 Ni17 3.439(2) . ?
Pr17 O61 2.402(9) . ?
Pr17 O89 2.459(8) 3_774 ?
Pr17 O103 2.486(9) . ?
Pr17 O110 2.496(8) . ?
Pr17 O16 2.535(7) . ?
Pr17 O97 2.542(9) 3_774 ?
Pr17 O74 2.543(9) . ?
Pr17 O88 2.563(8) . ?
Pr17 O71 2.593(9) . ?
Pr17 Ni6 3.4885(19) . ?
Pr17 Pr21 4.0700(11) 3_774 ?
Pr18 O135 2.413(10) . ?
Pr18 O136 2.443(9) . ?
Pr18 O111 2.471(9) . ?
Pr18 O2 2.50(2) . ?
Pr18 O139 2.539(10) . ?
Pr18 O23W 2.539(14) . ?
Pr18 O47 2.557(8) . ?
Pr18 O140 2.595(11) . ?
Pr18 O1H 2.656(11) . ?
Pr18 C4A 2.971(12) . ?
Pr18 Pr20 3.8432(10) . ?
Pr19 O25 2.403(8) . ?
Pr19 O12 2.411(8) . ?
Pr19 O36 2.463(8) . ?
Pr19 O118 2.478(8) . ?
Pr19 O19 2.484(8) . ?
Pr19 O34 2.559(8) 3_774 ?
Pr19 O4 2.604(8) 3_774 ?
Pr19 O85 2.673(8) 3_774 ?
Pr19 O56 2.738(7) 3_774 ?
Pr19 C2A 2.970(12) 3_774 ?
Pr19 Pr15 3.7228(11) 3_774 ?
Pr20 O122 2.454(8) . ?
Pr20 O2 2.47(2) . ?
Pr20 O1H 2.484(12) . ?
Pr20 O3 2.497(10) 3_774 ?
Pr20 O135 2.511(11) . ?
Pr20 O127 2.515(9) . ?
Pr20 O137 2.538(14) . ?
Pr20 O32 2.557(7) . ?
Pr20 O104 2.604(11) . ?
Pr20 C8A 2.818(13) . ?
Pr20 C3A 2.970(13) . ?
Pr21 O19 2.411(8) . ?
Pr21 O74 2.449(9) 3_774 ?
Pr21 O118 2.488(8) . ?
Pr21 O100 2.518(10) . ?
Pr21 O97 2.583(9) . ?
Pr21 O105 2.611(9) 3_774 ?
Pr21 N13 2.680(10) 3_774 ?
Pr21 O85 2.841(8) 3_774 ?
Pr21 Cl5 2.976(7) . ?
Pr21 Pr15 4.0034(10) 3_774 ?
Ni1 O37 1.994(8) . ?
Ni1 O72 2.035(9) . ?
Ni1 O58 2.042(8) . ?
Ni1 O73 2.049(9) . ?
Ni1 O41 2.102(8) . ?
Ni1 N12 2.104(11) . ?
Ni2 O28 1.975(7) . ?
Ni2 O70 2.050(8) . ?
Ni2 O35 2.069(8) 3_774 ?
Ni2 N10 2.082(9) . ?
Ni2 O52 2.082(8) . ?
Ni2 O53 2.089(8) . ?
Ni3 O14 2.006(8) . ?
Ni3 O15 2.048(8) . ?
Ni3 O44 2.069(8) . ?
Ni3 O101 2.074(8) . ?
Ni3 N5 2.076(11) . ?
Ni3 O131 2.079(9) . ?
Ni4 O65 1.983(8) . ?
Ni4 O64 2.047(8) . ?
Ni4 O95 2.051(8) . ?
Ni4 O67 2.065(8) . ?
Ni4 O68 2.066(8) . ?
Ni4 N16 2.075(9) . ?
Ni5 O7 2.030(8) . ?
Ni5 O82 2.057(8) . ?
Ni5 O99 2.064(9) 3_774 ?
Ni5 O57 2.079(9) . ?
Ni5 O62 2.079(8) . ?
Ni5 N6 2.117(10) . ?
Ni6 O74 2.016(9) . ?
Ni6 N4 2.027(12) . ?
Ni6 O124 2.055(11) . ?
Ni6 O103 2.078(9) . ?
Ni6 O105 2.123(9) . ?
Ni6 O126 2.162(9) 3_774 ?
Ni7 O33 2.025(8) . ?
Ni7 O6 2.041(9) . ?
Ni7 O77 2.054(7) . ?
Ni7 O86 2.062(8) . ?
Ni7 N17 2.076(10) . ?
Ni7 O96 2.079(8) 3_774 ?
Ni8 O92 2.044(9) . ?
Ni8 O31 2.047(8) . ?
Ni8 O21 2.051(8) . ?
Ni8 O69 2.055(9) . ?
Ni8 O106 2.071(9) . ?
Ni8 N11 2.079(10) . ?
Ni9 O113 2.018(8) . ?
Ni9 O11 2.066(8) . ?
Ni9 N14 2.072(11) . ?
Ni9 O23 2.077(8) . ?
Ni9 O79 2.094(8) . ?
Ni9 O30 2.117(8) 3_774 ?
Ni10 O42 1.993(8) . ?
Ni10 O83 2.036(8) . ?
Ni10 O81 2.045(8) . ?
Ni10 O60 2.083(8) . ?
Ni10 N9 2.112(12) . ?
Ni10 O84 2.124(8) . ?
Ni11 O63 2.025(8) . ?
Ni11 O107 2.043(9) . ?
Ni11 O39 2.045(8) . ?
Ni11 O46 2.093(9) . ?
Ni11 N18 2.104(10) . ?
Ni11 O98 2.122(9) . ?
Ni12 O49 2.016(9) 3_774 ?
Ni12 O108 2.033(10) . ?
Ni12 O88 2.067(8) . ?
Ni12 O89 2.067(9) 3_774 ?
Ni12 O138 2.072(10) . ?
Ni12 N3 2.092(11) 3_774 ?
Ni13 O40 1.995(9) . ?
Ni13 O91 2.033(9) . ?
Ni13 O102 2.040(9) . ?
Ni13 O114 2.042(8) . ?
Ni13 O38 2.060(9) . ?
Ni13 N15 2.072(11) . ?
Ni14 O8 2.019(8) 3_774 ?
Ni14 O93 2.042(9) 3_774 ?
Ni14 O80 2.062(9) . ?
Ni14 O76 2.088(9) 3_774 ?
Ni14 O112 2.094(9) . ?
Ni14 N8 2.133(11) 3_774 ?
Ni14 Pr9 3.5418(19) 3_774 ?
Ni15 O43 2.035(8) 3_774 ?
Ni15 N1 2.061(10) 3_774 ?
Ni15 O109 2.062(9) 3_774 ?
Ni15 O55 2.078(9) . ?
Ni15 O18 2.081(8) . ?
Ni15 O75 2.087(9) 3_774 ?
Ni16 O48 2.013(9) . ?
Ni16 O132 2.044(10) . ?
Ni16 O66 2.045(9) . ?
Ni16 O130 2.063(10) 3_774 ?
Ni16 O22 2.064(8) . ?
Ni16 N2 2.076(10) . ?
Ni17 O115 2.025(8) . ?
Ni17 O54 2.026(9) . ?
Ni17 O24W 2.101(11) . ?
Ni17 N19 2.110(12) . ?
Ni17 O120 2.128(9) . ?
Ni17 O121 2.142(9) . ?
Ni17 Na1 3.125(14) 2_654 ?
Ni18 O110 1.997(8) . ?
Ni18 O71 2.039(9) . ?
Ni18 O134 2.050(10) . ?
Ni18 O129 2.089(9) . ?
Ni18 O116 2.091(8) . ?
Ni18 N7 2.103(11) . ?
Ni19 O13W 2.050(11) . ?
Ni19 O100 2.062(9) . ?
Ni19 N20 2.062(16) . ?
Ni19 O119 2.101(10) . ?
Ni19 O133 2.107(9) . ?
Ni19 Cl5 2.325(7) . ?
Na1 O24W 2.191(14) 2_644 ?
Na1 O120 2.255(13) 2_644 ?
Na1 O20W 3.00(3) 3_765 ?
Na1 Ni17 3.125(14) 2_644 ?
Cl2 Pr13 3.1271(7) 3_774 ?
O1 C6 1.251(17) . ?
O3 C66 1.275(13) . ?
O3 Pr20 2.497(10) 3_774 ?
O4 C2A 1.272(12) . ?
O4 Pr10 2.538(7) 3_774 ?
O4 Pr14 2.558(7) 3_774 ?
O4 Pr19 2.604(8) 3_774 ?
O6 C68 1.294(13) . ?
O8 Ni14 2.019(8) 3_774 ?
O8 Pr5 2.469(8) 3_774 ?
O9 C6A 1.246(11) . ?
O10 C1A 1.248(12) . ?
O12 Pr15 2.400(7) 3_774 ?
O12 Pr13 2.460(8) 3_774 ?
O13 C6A 1.291(11) . ?
O15 C18 1.268(12) . ?
O16 C1A 1.318(12) . ?
O17 C7A 1.305(12) . ?
O17 Pr10 2.645(8) 3_774 ?
O18 Pr10 2.463(8) 3_774 ?
O19 Pr15 2.533(8) 3_774 ?
O20 C5A 1.284(12) . ?
O20 Pr6 2.521(7) 3_774 ?
O21 C42 1.264(12) . ?
O23 C62 1.256(13) . ?
O25 Pr13 2.424(8) 3_774 ?
O26 C7A 1.296(11) . ?
O26 Pr6 2.625(7) 3_774 ?
O27 C2A 1.305(12) . ?
O27 Pr5 2.523(8) 3_774 ?
O28 Pr8 2.484(7) 3_774 ?
O29 C5A 1.217(11) . ?
O30 C40 1.256(13) . ?
O30 Ni9 2.117(8) 3_774 ?
O33 C66 1.218(12) . ?
O33 Pr6 2.640(8) 3_774 ?
O34 C2A 1.247(12) . ?
O34 Pr19 2.559(8) 3_774 ?
O35 C4A 1.263(12) . ?
O35 Ni2 2.069(8) 3_774 ?
O35 Pr13 2.593(8) 3_774 ?
O38 C78 1.234(15) . ?
O41 C19 1.213(12) . ?
O42 Pr5 2.564(8) 3_774 ?
O43 C1 1.308(12) . ?
O43 Ni15 2.035(8) 3_774 ?
O43 Pr3 2.515(8) 3_774 ?
O44 C54 1.232(13) . ?
O45 C5A 1.302(12) . ?
O46 C4 1.238(12) . ?
O48 C14 1.284(14) . ?
O49 C12 1.318(13) . ?
O49 Ni12 2.016(9) 3_774 ?
O49 Pr9 2.496(8) 3_774 ?
O51 C6A 1.355(12) . ?
O52 C40 1.266(12) . ?
O52 Pr8 2.655(7) 3_774 ?
O53 C3A 1.248(13) . ?
O55 C34 1.235(14) . ?
O56 C7A 1.270(12) . ?
O56 Pr12 2.516(8) 3_774 ?
O56 Pr19 2.738(7) 3_774 ?
O57 C24 1.277(12) . ?
O58 C47 1.275(13) . ?
O59 Pr5 2.554(9) 3_774 ?
O60 C34 1.217(14) . ?
O62 C68 1.220(13) . ?
O63 C72 1.308(13) . ?
O64 C18 1.284(12) . ?
O66 C16 1.270(14) . ?
O67 C63 1.275(12) . ?
O68 C24 1.260(12) . ?
O69 C46 1.255(13) . ?
O70 C38 1.278(11) . ?
O71 C26 1.280(14) . ?
O72 C30 1.269(15) . ?
O73 C46 1.243(15) . ?
O74 Pr21 2.449(9) 3_774 ?
O75 C59 1.259(15) . ?
O75 Ni15 2.087(9) 3_774 ?
O76 C32 1.279(16) . ?
O76 Ni14 2.089(9) 3_774 ?
O76 Pr5 2.503(9) 3_774 ?
O77 Pr6 2.513(8) 3_774 ?
O78 Pr13 2.558(9) 3_774 ?
O79 C54 1.274(15) . ?
O80 C12 1.295(16) . ?
O81 C22 1.266(14) . ?
O82 C22 1.264(15) . ?
O83 C36 1.279(16) . ?
O83 Pr5 2.637(9) 3_774 ?
O84 C32 1.246(15) . ?
O85 C52 1.320(15) . ?
O85 Pr19 2.673(8) 3_774 ?
O85 Pr21 2.841(8) 3_774 ?
O86 C63 1.256(15) . ?
O87 C1A 1.274(15) . ?
O89 C10 1.277(16) . ?
O89 Ni12 2.067(9) 3_774 ?
O89 Pr17 2.459(8) 3_774 ?
O91 C58 1.244(16) . ?
O92 C44 1.255(16) . ?
O93 C30 1.272(15) . ?
O93 Ni14 2.042(9) 3_774 ?
O95 C62 1.251(14) . ?
O96 C38 1.261(14) . ?
O96 Ni7 2.079(8) 3_774 ?
O97 Pr15 2.441(8) 3_774 ?
O97 Pr17 2.542(9) 3_774 ?
O98 C69 1.221(16) . ?
O99 C1 1.238(15) . ?
O99 Ni5 2.064(9) 3_774 ?
O101 C19 1.298(15) . ?
O102 C72 1.249(14) . ?
O103 C7 1.255(17) . ?
O104 C3A 1.280(16) . ?
O105 C50 1.301(17) . ?
O105 Pr21 2.611(9) 3_774 ?
O106 C27 1.255(16) . ?
O107 C8A 1.315(13) . ?
O108 C26 1.241(16) . ?
O109 C4 1.266(14) . ?
O109 Ni15 2.062(9) 3_774 ?
O111 C56 1.269(16) . ?
O112 C16 1.257(17) . ?
O113 C56 1.247(15) . ?
O114 C59 1.286(15) . ?
O115 C74 1.268(17) . ?
O116 C27 1.272(16) . ?
O117 C52 1.269(14) . ?
O119 C14 1.228(17) . ?
O120 C44 1.257(16) . ?
O120 Na1 2.255(13) 2_654 ?
O121 C76 1.290(18) . ?
O122 C3A 1.286(15) . ?
O124 C6 1.292(18) . ?
O125 C50 1.223(16) . ?
O126 C10 1.243(17) . ?
O126 Ni6 2.162(9) 3_774 ?
O127 C76 1.275(17) . ?
O128 C202 1.105(11) . ?
O129 C7 1.256(17) . ?
O130 C36 1.250(16) . ?
O130 Ni16 2.063(10) 3_774 ?
O131 C42 1.220(14) . ?
O132 C58 1.267(16) . ?
O133 C78 1.280(17) . ?
O134 C74 1.259(17) . ?
O136 C4A 1.277(15) . ?
O137 C8A 1.343(13) . ?
O138 C47 1.245(15) . ?
O139 C69 1.264(17) . ?
O140 C4A 1.305(17) . ?
O141 C202 1.267(12) . ?
N1 C2 1.475(16) . ?
N1 C3 1.477(17) . ?
N1 Ni15 2.061(10) 3_774 ?
N1 H1A 0.9800 . ?
N2 C13 1.40(2) . ?
N2 C15 1.42(2) . ?
N2 H4AA 0.9800 . ?
N3 C11 1.460(18) . ?
N3 C9 1.476(18) . ?
N3 Ni12 2.092(11) 3_774 ?
N3 H3C 0.9800 . ?
N4 C8 1.440(18) . ?
N4 C5 1.484(17) . ?
N4 H4A 0.9800 . ?
N5 C17 1.460(16) . ?
N5 C20 1.481(15) . ?
N5 H5C 0.9800 . ?
N6 C23 1.465(18) . ?
N6 C21 1.466(18) . ?
N6 H6A 0.9800 . ?
N7 C28 1.449(17) . ?
N7 C25 1.473(18) . ?
N7 H7A 0.9800 . ?
N8 C31 1.427(18) . ?
N8 C29 1.502(17) . ?
N8 Ni14 2.133(11) 3_774 ?
N8 H8C 0.9800 . ?
N9 C35 1.415(16) . ?
N9 C33 1.500(18) . ?
N9 H9C 0.9800 . ?
N10 C37 1.454(16) . ?
N10 C39 1.458(15) . ?
N10 H10A 0.9800 . ?
N11 C43 1.484(16) . ?
N11 C41 1.504(16) . ?
N11 H11C 0.9800 . ?
N12 C45 1.478(18) . ?
N12 C48 1.494(17) . ?
N12 H12A 0.9800 . ?
N13 C51 1.453(16) . ?
N13 C49 1.519(18) . ?
N13 Pr21 2.680(10) 3_774 ?
N13 H13B 0.8600 . ?
N14 C53 1.463(16) . ?
N14 C55 1.523(16) . ?
N14 H14A 0.9800 . ?
N15 C60 1.430(17) . ?
N15 C57 1.436(16) . ?
N15 H15C 0.9800 . ?
N16 C61 1.452(15) . ?
N16 C64 1.500(14) . ?
N16 H16A 0.9800 . ?
N17 C67 1.429(19) . ?
N17 C65 1.459(19) . ?
N17 H17C 0.9800 . ?
N18 C71 1.441(16) . ?
N18 C70 1.448(18) . ?
N18 H18A 0.9800 . ?
N19 C73 1.452(17) . ?
N19 C75 1.48(2) . ?
N19 H19A 0.9800 . ?
C38 C37 1.535(17) . ?
C39 C40 1.496(16) . ?
C39 H39A 0.9700 . ?
C39 H39B 0.9700 . ?
C41 C42 1.488(18) . ?
C41 H41A 0.9700 . ?
C41 H41B 0.9700 . ?
C43 C44 1.521(19) . ?
C43 H43A 0.9700 . ?
C43 H43B 0.9700 . ?
C45 C46 1.492(19) . ?
C45 H45A 0.9700 . ?
C45 H45B 0.9700 . ?
C47 C48 1.534(19) . ?
C48 H48A 0.9700 . ?
C48 H48B 0.9700 . ?
C49 C50 1.459(19) . ?
C49 H49A 0.9700 . ?
C49 H49B 0.9700 . ?
C51 C52 1.514(17) . ?
C51 H51A 0.9700 . ?
C51 H51B 0.9700 . ?
C53 C54 1.531(17) . ?
C53 H53A 0.9700 . ?
C53 H53B 0.9700 . ?
C2A Pr19 2.970(12) 3_774 ?
C8A O1H 1.369(13) . ?
C72 C71 1.514(19) . ?
C73 C74 1.52(2) . ?
C73 H73A 0.9700 . ?
C73 H73B 0.9700 . ?
C75 C76 1.56(2) . ?
C75 H75A 0.9700 . ?
C75 H75B 0.9700 . ?
C55 C56 1.502(18) . ?
C55 H55A 0.9700 . ?
C55 H55B 0.9700 . ?
C57 C58 1.523(19) . ?
C57 H57A 0.9700 . ?
C57 H57B 0.9700 . ?
C59 C60 1.474(18) . ?
C60 H60A 0.9700 . ?
C60 H60B 0.9700 . ?
C61 C62 1.557(17) . ?
C61 H61A 0.9700 . ?
C61 H61B 0.9700 . ?
C63 C64 1.529(17) . ?
C64 H64A 0.9700 . ?
C64 H64B 0.9700 . ?
C65 C66 1.542(19) . ?
C65 H65A 0.9700 . ?
C65 H65B 0.9700 . ?
C67 C68 1.526(19) . ?
C67 H67A 0.9700 . ?
C67 H67B 0.9700 . ?
C69 C70 1.54(2) . ?
C70 H70A 0.9700 . ?
C70 H70B 0.9700 . ?
C71 H71A 0.9700 . ?
C71 H71B 0.9700 . ?
C1 C2 1.552(18) . ?
C2 H2A 0.9700 . ?
C2 H2B 0.9700 . ?
C3 C4 1.473(18) . ?
C3 H3A 0.9700 . ?
C3 H3B 0.9700 . ?
C5 C6 1.50(2) . ?
C5 H5A 0.9700 . ?
C5 H5B 0.9700 . ?
C7 C8 1.478(19) . ?
C8 H8A 0.9700 . ?
C8 H8B 0.9700 . ?
C9 C10 1.51(2) . ?
C9 H9A 0.9700 . ?
C9 H9B 0.9700 . ?
C11 C12 1.462(18) . ?
C11 H11A 0.9700 . ?
C11 H11B 0.9700 . ?
C13 C14 1.51(2) . ?
C13 H13A 0.9700 . ?
C13 H13C 0.9700 . ?
C15 C16 1.52(2) . ?
C15 H15A 0.9700 . ?
C15 H15B 0.9700 . ?
C17 C18 1.533(18) . ?
C17 H17A 0.9700 . ?
C17 H17B 0.9700 . ?
C19 C20 1.514(17) . ?
C20 H20A 0.9700 . ?
C20 H20B 0.9700 . ?
C21 C22 1.503(19) . ?
C21 H21A 0.9700 . ?
C21 H21B 0.9700 . ?
C23 C24 1.502(19) . ?
C23 H23A 0.9700 . ?
C23 H23B 0.9700 . ?
C25 C26 1.467(19) . ?
C25 H25A 0.9700 . ?
C25 H25B 0.9700 . ?
C27 C28 1.533(18) . ?
C28 H28A 0.9700 . ?
C28 H28B 0.9700 . ?
C29 C30 1.532(19) . ?
C29 H29A 0.9700 . ?
C29 H29B 0.9700 . ?
C31 C32 1.541(19) . ?
C31 H31A 0.9700 . ?
C31 H31B 0.9700 . ?
C33 C34 1.55(2) . ?
C33 H33A 0.9700 . ?
C33 H33B 0.9700 . ?
C35 C36 1.498(19) . ?
C35 H35A 0.9700 . ?
C35 H35B 0.9700 . ?
C37 H37A 0.9700 . ?
C37 H37B 0.9700 . ?
C202 C201 1.510(14) . ?
C201 H20D 0.9600 . ?
C201 H20E 0.9600 . ?
C201 H20F 0.9600 . ?
N20 C77 1.451(15) . ?
N20 H20G 0.8900 . ?
N20 H20H 0.8900 . ?
C77 C78 1.48(2) . ?
C77 H77A 0.9700 . ?
C77 H77B 0.9700 . ?
O142 C204 1.450(14) . ?
O20W Na1 3.00(3) 3_765 ?
O24W Na1 2.191(14) 2_654 ?
C204 C203 1.473(17) . ?
C204 H20C 0.9700 . ?
C204 H20I 0.9700 . ?
C203 H20J 0.9600 . ?
C203 H20K 0.9600 . ?
C203 H20L 0.9600 . ?

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
O14 Pr1 O24 69.9(3) . . ?
O14 Pr1 O11 119.8(3) . . ?
O24 Pr1 O11 142.8(3) . . ?
O14 Pr1 O15 66.6(3) . . ?
O24 Pr1 O15 83.1(3) . . ?
O11 Pr1 O15 134.1(3) . . ?
O14 Pr1 O45 134.0(2) . . ?
O24 Pr1 O45 74.3(3) . . ?
O11 Pr1 O45 75.5(3) . . ?
O15 Pr1 O45 136.2(3) . . ?
O14 Pr1 O79 68.05(18) . . ?
O24 Pr1 O79 137.53(19) . . ?
O11 Pr1 O79 68.26(18) . . ?
O15 Pr1 O79 74.94(19) . . ?
O45 Pr1 O79 143.79(18) . . ?
O14 Pr1 O95 125.54(18) . . ?
O24 Pr1 O95 136.2(2) . . ?
O11 Pr1 O95 70.77(18) . . ?
O15 Pr1 O95 71.12(18) . . ?
O45 Pr1 O95 100.34(18) . . ?
O79 Pr1 O95 69.1(3) . . ?
O14 Pr1 O65 131.0(3) . . ?
O24 Pr1 O65 76.0(3) . . ?
O11 Pr1 O65 108.7(3) . . ?
O15 Pr1 O65 75.5(3) . . ?
O45 Pr1 O65 62.9(3) . . ?
O79 Pr1 O65 130.24(18) . . ?
O95 Pr1 O65 63.82(18) . . ?
O14 Pr1 O9 73.7(3) . . ?
O24 Pr1 O9 80.2(3) . . ?
O11 Pr1 O9 70.1(2) . . ?
O15 Pr1 O9 140.1(3) . . ?
O45 Pr1 O9 72.3(2) . . ?
O79 Pr1 O9 93.83(18) . . ?
O95 Pr1 O9 140.80(18) . . ?
O65 Pr1 O9 133.4(3) . . ?
O14 Pr1 Ni3 33.22(19) . . ?
O24 Pr1 Ni3 80.21(19) . . ?
O11 Pr1 Ni3 129.04(19) . . ?
O15 Pr1 Ni3 34.47(19) . . ?
O45 Pr1 Ni3 154.37(17) . . ?
O79 Pr1 Ni3 61.15(17) . . ?
O95 Pr1 Ni3 95.75(18) . . ?
O65 Pr1 Ni3 108.00(18) . . ?
O9 Pr1 Ni3 106.62(17) . . ?
O14 Pr1 Pr7 34.52(18) . . ?
O24 Pr1 Pr7 35.87(19) . . ?
O11 Pr1 Pr7 137.99(18) . . ?
O15 Pr1 Pr7 75.52(18) . . ?
O45 Pr1 Pr7 103.47(17) . . ?
O79 Pr1 Pr7 102.57(17) . . ?
O95 Pr1 Pr7 146.64(18) . . ?
O65 Pr1 Pr7 107.63(17) . . ?
O9 Pr1 Pr7 69.78(16) . . ?
Ni3 Pr1 Pr7 54.55(3) . . ?
O7 Pr2 O5 69.9(3) . . ?
O7 Pr2 O77 119.70(18) . . ?
O5 Pr2 O77 144.18(19) . . ?
O7 Pr2 O45 133.1(3) . . ?
O5 Pr2 O45 74.9(3) . . ?
O77 Pr2 O45 75.51(18) . . ?
O7 Pr2 O57 67.8(3) . . ?
O5 Pr2 O57 82.4(3) . . ?
O77 Pr2 O57 133.35(18) . . ?
O45 Pr2 O57 136.5(3) . . ?
O7 Pr2 O6 69.3(3) . . ?
O5 Pr2 O6 138.7(3) . . ?
O77 Pr2 O6 66.6(2) . . ?
O45 Pr2 O6 142.0(3) . . ?
O57 Pr2 O6 76.3(3) . . ?
O7 Pr2 O67 124.6(3) . . ?
O5 Pr2 O67 134.4(3) . . ?
O77 Pr2 O67 71.73(19) . . ?
O45 Pr2 O67 102.1(3) . . ?
O57 Pr2 O67 68.9(3) . . ?
O6 Pr2 O67 68.3(3) . . ?
O7 Pr2 O65 131.4(3) . . ?
O5 Pr2 O65 74.5(2) . . ?
O77 Pr2 O65 108.61(18) . . ?
O45 Pr2 O65 62.8(3) . . ?
O57 Pr2 O65 75.6(3) . . ?
O6 Pr2 O65 131.3(3) . . ?
O67 Pr2 O65 64.7(2) . . ?
O7 Pr2 O26 73.8(3) . . ?
O5 Pr2 O26 82.8(2) . . ?
O77 Pr2 O26 69.18(18) . . ?
O45 Pr2 O26 71.9(2) . . ?
O57 Pr2 O26 141.5(3) . . ?
O6 Pr2 O26 92.3(3) . . ?
O67 Pr2 O26 140.7(2) . . ?
O65 Pr2 O26 133.1(2) . . ?
O7 Pr2 Ni5 33.76(19) . . ?
O5 Pr2 Ni5 80.00(19) . . ?
O77 Pr2 Ni5 128.52(18) . . ?
O45 Pr2 Ni5 154.80(17) . . ?
O57 Pr2 Ni5 35.3(2) . . ?
O6 Pr2 Ni5 62.3(2) . . ?
O67 Pr2 Ni5 94.0(2) . . ?
O65 Pr2 Ni5 108.68(18) . . ?
O26 Pr2 Ni5 107.00(17) . . ?
O7 Pr2 Pr3 33.92(17) . . ?
O5 Pr2 Pr3 36.64(19) . . ?
O77 Pr2 Pr3 137.77(18) . . ?
O45 Pr2 Pr3 103.43(17) . . ?
O57 Pr2 Pr3 76.46(19) . . ?
O6 Pr2 Pr3 103.25(19) . . ?
O67 Pr2 Pr3 145.3(2) . . ?
O65 Pr2 Pr3 107.80(17) . . ?
O26 Pr2 Pr3 70.54(16) . . ?
Ni5 Pr2 Pr3 54.75(3) . . ?
O7 Pr2 Pr4 96.28(18) . . ?
O5 Pr2 Pr4 31.76(19) . . ?
O77 Pr2 Pr4 115.16(17) . . ?
O45 Pr2 Pr4 43.22(17) . . ?
O57 Pr2 Pr4 108.93(18) . . ?
O6 Pr2 Pr4 162.06(19) . . ?
O67 Pr2 Pr4 129.61(19) . . ?
O65 Pr2 Pr4 66.23(17) . . ?
O26 Pr2 Pr4 72.82(16) . . ?
Ni5 Pr2 Pr4 111.73(3) . . ?
Pr3 Pr2 Pr4 62.806(17) . . ?
O7 Pr3 O82 68.36(19) . . ?
O7 Pr3 O18 120.2(3) . . ?
O82 Pr3 O18 132.9(2) . . ?
O7 Pr3 O27 130.5(3) . . ?
O82 Pr3 O27 137.8(2) . . ?
O18 Pr3 O27 75.5(3) . . ?
O7 Pr3 O5 69.6(3) . . ?
O82 Pr3 O5 83.47(19) . . ?
O18 Pr3 O5 143.6(3) . . ?
O27 Pr3 O5 73.6(3) . . ?
O7 Pr3 O43 68.8(3) . 3_774 ?
O82 Pr3 O43 76.34(19) . 3_774 ?
O18 Pr3 O43 67.1(3) . 3_774 ?
O27 Pr3 O43 142.2(3) . 3_774 ?
O5 Pr3 O43 138.0(2) . 3_774 ?
O7 Pr3 O42 131.9(3) . . ?
O82 Pr3 O42 76.00(18) . . ?
O18 Pr3 O42 107.7(3) . . ?
O27 Pr3 O42 64.3(3) . . ?
O5 Pr3 O42 75.3(3) . . ?
O43 Pr3 O42 132.2(3) 3_774 . ?
O7 Pr3 O17 72.2(3) . . ?
O82 Pr3 O17 140.53(18) . . ?
O18 Pr3 O17 69.1(3) . . ?
O27 Pr3 O17 71.8(3) . . ?
O5 Pr3 O17 83.2(3) . . ?
O43 Pr3 O17 89.4(3) 3_774 . ?
O42 Pr3 O17 135.0(3) . . ?
O7 Pr3 O60 126.2(3) . . ?
O82 Pr3 O60 69.60(19) . . ?
O18 Pr3 O60 70.6(3) . . ?
O27 Pr3 O60 103.2(3) . . ?
O5 Pr3 O60 135.4(3) . . ?
O43 Pr3 O60 69.9(2) 3_774 . ?
O42 Pr3 O60 64.3(3) . . ?
O17 Pr3 O60 139.3(3) . . ?
O7 Pr3 Ni5 34.33(19) . . ?
O82 Pr3 Ni5 35.20(18) . . ?
O18 Pr3 Ni5 128.98(19) . . ?
O27 Pr3 Ni5 153.8(2) . . ?
O5 Pr3 Ni5 80.27(17) . . ?
O43 Pr3 Ni5 62.05(17) 3_774 . ?
O42 Pr3 Ni5 108.89(18) . . ?
O17 Pr3 Ni5 105.75(17) . . ?
O60 Pr3 Ni5 95.12(18) . . ?
O7 Pr3 Pr2 34.21(19) . . ?
O82 Pr3 Pr2 77.55(19) . . ?
O18 Pr3 Pr2 137.88(19) . . ?
O27 Pr3 Pr2 100.91(19) . . ?
O5 Pr3 Pr2 35.97(17) . . ?
O43 Pr3 Pr2 102.99(17) 3_774 . ?
O42 Pr3 Pr2 108.04(18) . . ?
O17 Pr3 Pr2 70.00(17) . . ?
O60 Pr3 Pr2 147.15(18) . . ?
Ni5 Pr3 Pr2 55.63(3) . . ?
O59 Pr4 O5 100.9(3) . . ?
O59 Pr4 O24 100.8(3) . . ?
O5 Pr4 O24 102.4(3) . . ?
O59 Pr4 O29 152.1(3) . . ?
O5 Pr4 O29 97.7(3) . . ?
O24 Pr4 O29 95.2(3) . . ?
O59 Pr4 O10 93.3(3) . . ?
O5 Pr4 O10 157.6(3) . . ?
O24 Pr4 O10 91.7(3) . . ?
O29 Pr4 O10 63.4(2) . . ?
O59 Pr4 O34 93.9(3) . . ?
O5 Pr4 O34 94.2(3) . . ?
O24 Pr4 O34 155.2(3) . . ?
O29 Pr4 O34 64.0(3) . . ?
O10 Pr4 O34 67.4(3) . . ?
O59 Pr4 O45 161.4(3) . . ?
O5 Pr4 O45 68.8(2) . . ?
O24 Pr4 O45 67.9(2) . . ?
O29 Pr4 O45 46.4(2) . . ?
O10 Pr4 O45 101.5(2) . . ?
O34 Pr4 O45 102.0(2) . . ?
O59 Pr4 O128 59.9(2) . . ?
O5 Pr4 O128 70.88(19) . . ?
O24 Pr4 O128 59.5(2) . . ?
O29 Pr4 O128 147.2(2) . . ?
O10 Pr4 O128 131.52(19) . . ?
O34 Pr4 O128 144.8(2) . . ?
O45 Pr4 O128 101.6(2) . . ?
O59 Pr4 Pr2 132.6(2) . . ?
O5 Pr4 Pr2 32.57(18) . . ?
O24 Pr4 Pr2 87.15(18) . . ?
O29 Pr4 Pr2 70.50(18) . . ?
O10 Pr4 Pr2 133.56(17) . . ?
O34 Pr4 Pr2 97.55(18) . . ?
O45 Pr4 Pr2 36.33(16) . . ?
O128 Pr4 Pr2 86.56(18) . . ?
O94 Pr5 O8 76.0(2) . 3_774 ?
O94 Pr5 O76 144.0(3) . 3_774 ?
O8 Pr5 O76 68.2(2) 3_774 3_774 ?
O94 Pr5 O66 88.2(2) . . ?
O8 Pr5 O66 68.6(3) 3_774 . ?
O76 Pr5 O66 76.0(2) 3_774 . ?
O94 Pr5 O22 69.1(2) . . ?
O8 Pr5 O22 124.5(3) 3_774 . ?
O76 Pr5 O22 130.3(2) 3_774 . ?
O66 Pr5 O22 68.6(3) . . ?
O94 Pr5 O27 72.3(2) . 3_774 ?
O8 Pr5 O27 131.0(3) 3_774 3_774 ?
O76 Pr5 O27 136.01(19) 3_774 3_774 ?
O66 Pr5 O27 144.1(3) . 3_774 ?
O22 Pr5 O27 76.2(3) . 3_774 ?
O94 Pr5 O59 85.4(2) . 3_774 ?
O8 Pr5 O59 68.2(3) 3_774 3_774 ?
O76 Pr5 O59 84.6(2) 3_774 3_774 ?
O66 Pr5 O59 136.6(3) . 3_774 ?
O22 Pr5 O59 144.7(3) . 3_774 ?
O27 Pr5 O59 72.9(3) 3_774 3_774 ?
O94 Pr5 O42 135.2(2) . 3_774 ?
O8 Pr5 O42 132.2(3) 3_774 3_774 ?
O76 Pr5 O42 75.78(19) 3_774 3_774 ?
O66 Pr5 O42 131.1(3) . 3_774 ?
O22 Pr5 O42 102.5(3) . 3_774 ?
O27 Pr5 O42 63.1(3) 3_774 3_774 ?
O59 Pr5 O42 78.4(3) 3_774 3_774 ?
O94 Pr5 O83 135.2(3) . 3_774 ?
O8 Pr5 O83 124.43(18) 3_774 3_774 ?
O76 Pr5 O83 68.3(3) 3_774 3_774 ?
O66 Pr5 O83 68.6(2) . 3_774 ?
O22 Pr5 O83 66.89(19) . 3_774 ?
O27 Pr5 O83 104.33(19) 3_774 3_774 ?
O59 Pr5 O83 137.7(2) 3_774 3_774 ?
O42 Pr5 O83 64.13(18) 3_774 3_774 ?
O94 Pr5 Ni14 108.5(2) . . ?
O8 Pr5 Ni14 33.84(19) 3_774 . ?
O76 Pr5 Ni14 35.6(2) 3_774 . ?
O66 Pr5 Ni14 61.4(2) . . ?
O22 Pr5 Ni14 129.96(18) . . ?
O27 Pr5 Ni14 153.1(2) 3_774 . ?
O59 Pr5 Ni14 80.3(2) 3_774 . ?
O42 Pr5 Ni14 109.40(18) 3_774 . ?
O83 Pr5 Ni14 93.67(18) 3_774 . ?
O94 Pr5 Ni16 79.8(2) . . ?
O8 Pr5 Ni16 98.75(18) 3_774 . ?
O76 Pr5 Ni16 101.9(2) 3_774 . ?
O66 Pr5 Ni16 34.2(2) . . ?
O22 Pr5 Ni16 34.71(18) . . ?
O27 Pr5 Ni16 110.94(19) 3_774 . ?
O59 Pr5 Ni16 162.4(2) 3_774 . ?
O42 Pr5 Ni16 118.98(19) 3_774 . ?
O83 Pr5 Ni16 59.28(18) 3_774 . ?
Ni14 Pr5 Ni16 95.37(4) . . ?
O94 Pr5 Pr14 32.0(2) . . ?
O8 Pr5 Pr14 101.06(18) 3_774 . ?
O76 Pr5 Pr14 155.1(2) 3_774 . ?
O66 Pr5 Pr14 79.1(2) . . ?
O22 Pr5 Pr14 37.24(19) . . ?
O27 Pr5 Pr14 68.25(19) 3_774 . ?
O59 Pr5 Pr14 113.1(2) 3_774 . ?
O42 Pr5 Pr14 123.51(18) 3_774 . ?
O83 Pr5 Pr14 104.03(19) 3_774 . ?
Ni14 Pr5 Pr14 126.85(4) . . ?
Ni16 Pr5 Pr14 56.21(3) . . ?
O122 Pr6 O32 70.49(19) . . ?
O122 Pr6 O28 76.26(19) . . ?
O32 Pr6 O28 133.6(3) . . ?
O122 Pr6 O77 125.1(2) . 3_774 ?
O32 Pr6 O77 122.13(18) . 3_774 ?
O28 Pr6 O77 103.29(18) . 3_774 ?
O122 Pr6 O20 138.81(19) . 3_774 ?
O32 Pr6 O20 136.3(2) . 3_774 ?
O28 Pr6 O20 62.9(2) . 3_774 ?
O77 Pr6 O20 72.61(17) 3_774 3_774 ?
O122 Pr6 O78 82.6(3) . . ?
O32 Pr6 O78 70.5(2) . . ?
O28 Pr6 O78 74.0(2) . . ?
O77 Pr6 O78 151.3(3) 3_774 . ?
O20 Pr6 O78 81.2(2) 3_774 . ?
O122 Pr6 O26 146.79(19) . 3_774 ?
O32 Pr6 O26 76.8(2) . 3_774 ?
O28 Pr6 O26 133.6(2) . 3_774 ?
O77 Pr6 O26 69.03(17) 3_774 3_774 ?
O20 Pr6 O26 71.4(2) 3_774 3_774 ?
O78 Pr6 O26 91.9(2) . 3_774 ?
O122 Pr6 O33 76.20(19) . 3_774 ?
O32 Pr6 O33 71.4(2) . 3_774 ?
O28 Pr6 O33 130.2(2) . 3_774 ?
O77 Pr6 O33 62.63(17) 3_774 3_774 ?
O20 Pr6 O33 135.0(2) 3_774 3_774 ?
O78 Pr6 O33 140.8(2) . 3_774 ?
O26 Pr6 O33 88.4(2) 3_774 3_774 ?
O122 Pr6 O70 64.64(19) . . ?
O32 Pr6 O70 124.4(2) . . ?
O28 Pr6 O70 63.3(2) . . ?
O77 Pr6 O70 66.84(18) 3_774 . ?
O20 Pr6 O70 99.3(2) 3_774 . ?
O78 Pr6 O70 130.5(2) . . ?
O26 Pr6 O70 135.6(2) 3_774 . ?
O33 Pr6 O70 67.5(2) 3_774 . ?
O122 Pr6 Pr12 83.45(19) . . ?
O32 Pr6 Pr12 35.40(17) . . ?
O28 Pr6 Pr12 110.66(17) . . ?
O77 Pr6 Pr12 140.36(18) 3_774 . ?
O20 Pr6 Pr12 105.15(16) 3_774 . ?
O78 Pr6 Pr12 37.7(2) . . ?
O26 Pr6 Pr12 72.84(17) 3_774 . ?
O33 Pr6 Pr12 106.45(17) 3_774 . ?
O70 Pr6 Pr12 148.08(18) . . ?
O122 Pr6 Pr20 34.19(19) . . ?
O32 Pr6 Pr20 36.82(17) . . ?
O28 Pr6 Pr20 107.41(17) . . ?
O77 Pr6 Pr20 128.15(17) 3_774 . ?
O20 Pr6 Pr20 159.23(17) 3_774 . ?
O78 Pr6 Pr20 78.3(2) . . ?
O26 Pr6 Pr20 112.61(17) 3_774 . ?
O33 Pr6 Pr20 65.60(17) 3_774 . ?
O70 Pr6 Pr20 91.36(18) . . ?
Pr12 Pr6 Pr20 59.412(17) . . ?
O14 Pr7 O31 119.9(3) . . ?
O14 Pr7 O24 69.5(3) . . ?
O31 Pr7 O24 143.5(3) . . ?
O14 Pr7 O87 132.09(19) . . ?
O31 Pr7 O87 75.76(19) . . ?
O24 Pr7 O87 74.08(18) . . ?
O14 Pr7 O101 68.80(19) . . ?
O31 Pr7 O101 132.30(19) . . ?
O24 Pr7 O101 84.12(19) . . ?
O87 Pr7 O101 136.7(3) . . ?
O14 Pr7 O13 72.8(3) . . ?
O31 Pr7 O13 70.3(3) . . ?
O24 Pr7 O13 81.1(3) . . ?
O87 Pr7 O13 71.68(19) . . ?
O101 Pr7 O13 141.58(19) . . ?
O14 Pr7 O37 131.9(3) . . ?
O31 Pr7 O37 107.8(3) . . ?
O24 Pr7 O37 75.9(3) . . ?
O87 Pr7 O37 63.26(19) . . ?
O101 Pr7 O37 75.5(2) . . ?
O13 Pr7 O37 133.4(2) . . ?
O14 Pr7 O21 68.3(3) . . ?
O31 Pr7 O21 66.3(3) . . ?
O24 Pr7 O21 137.6(3) . . ?
O87 Pr7 O21 141.66(19) . . ?
O101 Pr7 O21 77.4(2) . . ?
O13 Pr7 O21 90.3(3) . . ?
O37 Pr7 O21 133.1(3) . . ?
O14 Pr7 O73 125.31(19) . . ?
O31 Pr7 O73 70.70(19) . . ?
O24 Pr7 O73 135.99(19) . . ?
O87 Pr7 O73 102.5(3) . . ?
O101 Pr7 O73 68.6(3) . . ?
O13 Pr7 O73 140.78(19) . . ?
O37 Pr7 O73 64.48(19) . . ?
O21 Pr7 O73 70.29(19) . . ?
O14 Pr7 Ni3 34.10(19) . . ?
O31 Pr7 Ni3 128.1(2) . . ?
O24 Pr7 Ni3 80.84(19) . . ?
O87 Pr7 Ni3 154.87(18) . . ?
O101 Pr7 Ni3 35.99(19) . . ?
O13 Pr7 Ni3 106.32(17) . . ?
O37 Pr7 Ni3 109.22(17) . . ?
O21 Pr7 Ni3 61.91(18) . . ?
O73 Pr7 Ni3 94.32(18) . . ?
O14 Pr7 Pr1 34.75(19) . . ?
O31 Pr7 Pr1 138.57(19) . . ?
O24 Pr7 Pr1 35.21(18) . . ?
O87 Pr7 Pr1 101.93(18) . . ?
O101 Pr7 Pr1 77.62(19) . . ?
O13 Pr7 Pr1 69.88(16) . . ?
O37 Pr7 Pr1 107.48(17) . . ?
O21 Pr7 Pr1 103.00(17) . . ?
O73 Pr7 Pr1 146.19(18) . . ?
Ni3 Pr7 Pr1 55.81(3) . . ?
O47 Pr8 O136 69.8(2) . . ?
O47 Pr8 O28 133.7(3) . 3_774 ?
O136 Pr8 O28 76.4(2) . 3_774 ?
O47 Pr8 O20 136.6(2) . . ?
O136 Pr8 O20 139.2(2) . . ?
O28 Pr8 O20 63.3(2) 3_774 . ?
O47 Pr8 O123 70.1(2) . . ?
O136 Pr8 O123 79.8(3) . . ?
O28 Pr8 O123 73.6(2) 3_774 . ?
O20 Pr8 O123 83.2(2) . . ?
O47 Pr8 O11 121.8(3) . . ?
O136 Pr8 O11 125.7(2) . . ?
O28 Pr8 O11 103.4(2) 3_774 . ?
O20 Pr8 O11 72.6(2) . . ?
O123 Pr8 O11 153.6(2) . . ?
O47 Pr8 O113 71.18(18) . . ?
O136 Pr8 O113 75.6(3) . . ?
O28 Pr8 O113 129.22(16) 3_774 . ?
O20 Pr8 O113 135.33(18) . . ?
O123 Pr8 O113 139.3(3) . . ?
O11 Pr8 O113 62.90(18) . . ?
O47 Pr8 O52 124.1(2) . 3_774 ?
O136 Pr8 O52 65.8(2) . 3_774 ?
O28 Pr8 O52 63.6(2) 3_774 3_774 ?
O20 Pr8 O52 99.3(2) . 3_774 ?
O123 Pr8 O52 129.7(2) . 3_774 ?
O11 Pr8 O52 66.2(2) . 3_774 ?
O113 Pr8 O52 66.42(18) . 3_774 ?
O47 Pr8 O9 77.4(2) . . ?
O136 Pr8 O9 146.7(2) . . ?
O28 Pr8 O9 133.8(2) 3_774 . ?
O20 Pr8 O9 71.1(2) . . ?
O123 Pr8 O9 94.6(2) . . ?
O11 Pr8 O9 68.2(2) . . ?
O113 Pr8 O9 88.88(17) . . ?
O52 Pr8 O9 134.1(2) 3_774 . ?
O47 Pr8 Pr11 35.48(18) . . ?
O136 Pr8 Pr11 82.6(2) . . ?
O28 Pr8 Pr11 110.98(17) 3_774 . ?
O20 Pr8 Pr11 105.46(16) . . ?
O123 Pr8 Pr11 37.9(2) . . ?
O11 Pr8 Pr11 140.17(17) . . ?
O113 Pr8 Pr11 106.37(17) . . ?
O52 Pr8 Pr11 148.45(18) 3_774 . ?
O9 Pr8 Pr11 73.62(16) . . ?
O47 Pr8 Pr18 36.50(18) . . ?
O136 Pr8 Pr18 33.8(2) . . ?
O28 Pr8 Pr18 107.45(17) 3_774 . ?
O20 Pr8 Pr18 159.49(17) . . ?
O123 Pr8 Pr18 76.5(2) . . ?
O11 Pr8 Pr18 127.93(18) . . ?
O113 Pr8 Pr18 65.06(18) . . ?
O52 Pr8 Pr18 91.67(18) 3_774 . ?
O9 Pr8 Pr18 112.92(17) . . ?
Pr11 Pr8 Pr18 59.161(18) . . ?
O61 Pr9 O87 73.8(2) . . ?
O61 Pr9 O8 77.0(3) . . ?
O87 Pr9 O8 132.13(19) . . ?
O61 Pr9 O49 85.6(3) . 3_774 ?
O87 Pr9 O49 142.0(2) . 3_774 ?
O8 Pr9 O49 70.1(3) . 3_774 ?
O61 Pr9 O93 143.3(2) . . ?
O87 Pr9 O93 135.2(3) . . ?
O8 Pr9 O93 66.5(2) . . ?
O49 Pr9 O93 78.7(2) 3_774 . ?
O61 Pr9 O88 68.6(2) . . ?
O87 Pr9 O88 75.3(3) . . ?
O8 Pr9 O88 126.35(18) . . ?
O49 Pr9 O88 67.5(2) 3_774 . ?
O93 Pr9 O88 131.7(3) . . ?
O61 Pr9 O59 87.4(3) . . ?
O87 Pr9 O59 73.4(2) . . ?
O8 Pr9 O59 68.2(3) . . ?
O49 Pr9 O59 138.2(3) 3_774 . ?
O93 Pr9 O59 82.8(2) . . ?
O88 Pr9 O59 144.8(2) . . ?
O61 Pr9 O37 136.5(3) . . ?
O87 Pr9 O37 63.07(19) . . ?
O8 Pr9 O37 129.1(2) . . ?
O49 Pr9 O37 132.8(3) 3_774 . ?
O93 Pr9 O37 74.70(19) . . ?
O88 Pr9 O37 103.84(18) . . ?
O59 Pr9 O37 75.7(3) . . ?
O61 Pr9 O58 134.9(3) . . ?
O87 Pr9 O58 103.07(19) . . ?
O8 Pr9 O58 124.3(3) . . ?
O49 Pr9 O58 69.7(3) 3_774 . ?
O93 Pr9 O58 69.2(2) . . ?
O88 Pr9 O58 67.29(19) . . ?
O59 Pr9 O58 135.9(3) . . ?
O37 Pr9 O58 64.6(2) . . ?
O61 Pr9 Ni14 109.1(2) . 3_774 ?
O87 Pr9 Ni14 153.39(19) . 3_774 ?
O8 Pr9 Ni14 33.71(18) . 3_774 ?
O49 Pr9 Ni14 63.5(2) 3_774 3_774 ?
O93 Pr9 Ni14 34.4(2) . 3_774 ?
O88 Pr9 Ni14 130.97(18) . 3_774 ?
O59 Pr9 Ni14 80.2(2) . 3_774 ?
O37 Pr9 Ni14 107.14(18) . 3_774 ?
O58 Pr9 Ni14 93.21(19) . 3_774 ?
O61 Pr9 Ni12 77.7(2) . . ?
O87 Pr9 Ni12 109.81(19) . . ?
O8 Pr9 Ni12 99.73(17) . . ?
O49 Pr9 Ni12 33.2(2) 3_774 . ?
O93 Pr9 Ni12 104.06(19) . . ?
O88 Pr9 Ni12 34.53(18) . . ?
O59 Pr9 Ni12 162.8(2) . . ?
O37 Pr9 Ni12 121.16(17) . . ?
O58 Pr9 Ni12 60.85(18) . . ?
Ni14 Pr9 Ni12 96.46(4) 3_774 . ?
O61 Pr9 Pr17 31.9(2) . . ?
O87 Pr9 Pr17 67.88(19) . . ?
O8 Pr9 Pr17 103.06(18) . . ?
O49 Pr9 Pr17 77.7(2) 3_774 . ?
O93 Pr9 Pr17 156.31(19) . . ?
O88 Pr9 Pr17 36.99(19) . . ?
O59 Pr9 Pr17 113.9(2) . . ?
O37 Pr9 Pr17 124.22(18) . . ?
O58 Pr9 Pr17 104.21(19) . . ?
Ni14 Pr9 Pr17 128.47(3) 3_774 . ?
Ni12 Pr9 Pr17 55.25(3) . . ?
O36 Pr10 O63 78.1(3) . . ?
O36 Pr10 O18 152.3(3) . 3_774 ?
O63 Pr10 O18 128.0(3) . 3_774 ?
O36 Pr10 O39 68.9(2) . . ?
O63 Pr10 O39 70.5(3) . . ?
O18 Pr10 O39 124.3(3) 3_774 . ?
O36 Pr10 O109 137.4(2) . . ?
O63 Pr10 O109 75.3(2) . . ?
O18 Pr10 O109 66.9(2) 3_774 . ?
O39 Pr10 O109 71.11(19) . . ?
O36 Pr10 O40 71.5(3) . . ?
O63 Pr10 O40 76.4(3) . . ?
O18 Pr10 O40 103.1(3) 3_774 . ?
O39 Pr10 O40 132.3(3) . . ?
O109 Pr10 O40 131.4(2) . . ?
O36 Pr10 O4 77.3(3) . 3_774 ?
O63 Pr10 O4 138.2(2) . 3_774 ?
O18 Pr10 O4 76.1(3) 3_774 3_774 ?
O39 Pr10 O4 128.5(2) . 3_774 ?
O109 Pr10 O4 142.1(2) . 3_774 ?
O40 Pr10 O4 64.0(3) . 3_774 ?
O36 Pr10 O114 127.22(19) . . ?
O63 Pr10 O114 67.92(19) . . ?
O18 Pr10 O114 66.70(19) 3_774 . ?
O39 Pr10 O114 128.98(19) . . ?
O109 Pr10 O114 70.8(3) . . ?
O40 Pr10 O114 62.2(2) . . ?
O4 Pr10 O114 102.26(19) 3_774 . ?
O36 Pr10 O17 96.0(3) . 3_774 ?
O63 Pr10 O17 146.6(2) . 3_774 ?
O18 Pr10 O17 67.5(3) 3_774 3_774 ?
O39 Pr10 O17 76.6(2) . 3_774 ?
O109 Pr10 O17 88.5(2) . 3_774 ?
O40 Pr10 O17 133.4(3) . 3_774 ?
O4 Pr10 O17 69.6(2) 3_774 3_774 ?
O114 Pr10 O17 134.04(19) . 3_774 ?
O36 Pr10 Ni11 74.92(18) . . ?
O63 Pr10 Ni11 35.34(18) . . ?
O18 Pr10 Ni11 131.02(19) 3_774 . ?
O39 Pr10 Ni11 35.86(18) . . ?
O109 Pr10 Ni11 64.1(2) . . ?
O40 Pr10 Ni11 108.29(19) . . ?
O4 Pr10 Ni11 152.11(18) 3_774 . ?
O114 Pr10 Ni11 96.19(19) . . ?
O17 Pr10 Ni11 111.24(17) 3_774 . ?
O36 Pr10 Pr19 37.40(18) . . ?
O63 Pr10 Pr19 113.19(19) . . ?
O18 Pr10 Pr19 114.90(19) 3_774 . ?
O39 Pr10 Pr19 93.09(18) . . ?
O109 Pr10 Pr19 159.01(19) . . ?
O40 Pr10 Pr19 69.4(2) . . ?
O4 Pr10 Pr19 41.33(17) 3_774 . ?
O114 Pr10 Pr19 129.91(18) . . ?
O17 Pr10 Pr19 74.12(17) 3_774 . ?
Ni11 Pr10 Pr19 110.96(4) . . ?
O36 Pr10 Pr12 36.62(17) . . ?
O63 Pr10 Pr12 82.04(19) . . ?
O18 Pr10 Pr12 141.54(19) 3_774 . ?
O39 Pr10 Pr12 35.38(18) . . ?
O109 Pr10 Pr12 106.38(19) . . ?
O40 Pr10 Pr12 107.8(2) . . ?
O4 Pr10 Pr12 97.30(17) 3_774 . ?
O114 Pr10 Pr12 149.68(19) . . ?
O17 Pr10 Pr12 74.68(17) 3_774 . ?
Ni11 Pr10 Pr12 58.14(3) . . ?
Pr19 Pr10 Pr12 58.234(17) . . ?
O47 Pr11 O51 78.1(3) . . ?
O47 Pr11 O54 75.2(3) . . ?
O51 Pr11 O54 75.0(3) . . ?
O47 Pr11 O90 132.37(19) . . ?
O51 Pr11 O90 65.7(2) . . ?
O54 Pr11 O90 66.57(19) . . ?
O47 Pr11 O135 68.8(2) . . ?
O51 Pr11 O135 144.9(2) . . ?
O54 Pr11 O135 85.4(2) . . ?
O90 Pr11 O135 131.8(3) . . ?
O47 Pr11 O50 133.9(3) . . ?
O51 Pr11 O50 74.8(3) . . ?
O54 Pr11 O50 130.3(3) . . ?
O90 Pr11 O50 65.28(19) . . ?
O135 Pr11 O50 137.8(2) . . ?
O47 Pr11 O123 69.3(2) . . ?
O51 Pr11 O123 70.2(2) . . ?
O54 Pr11 O123 134.3(2) . . ?
O90 Pr11 O123 120.9(3) . . ?
O135 Pr11 O123 106.9(3) . . ?
O50 Pr11 O123 66.7(2) . . ?
O47 Pr11 O104 122.1(2) . . ?
O51 Pr11 O104 136.8(3) . . ?
O54 Pr11 O104 143.1(2) . . ?
O90 Pr11 O104 105.5(3) . . ?
O135 Pr11 O104 73.9(3) . . ?
O50 Pr11 O104 64.0(2) . . ?
O123 Pr11 O104 81.6(3) . . ?
O47 Pr11 O121 118.57(19) . . ?
O51 Pr11 O121 128.44(19) . . ?
O54 Pr11 O121 64.93(19) . . ?
O90 Pr11 O121 69.3(3) . . ?
O135 Pr11 O121 63.4(3) . . ?
O50 Pr11 O121 107.53(19) . . ?
O123 Pr11 O121 159.7(3) . . ?
O104 Pr11 O121 78.5(3) . . ?
O47 Pr11 Pr15 122.74(19) . . ?
O51 Pr11 Pr15 45.33(19) . . ?
O54 Pr11 Pr15 94.26(19) . . ?
O90 Pr11 Pr15 39.0(2) . . ?
O135 Pr11 Pr15 168.0(2) . . ?
O50 Pr11 Pr15 37.89(18) . . ?
O123 Pr11 Pr15 81.9(2) . . ?
O104 Pr11 Pr15 100.0(2) . . ?
O121 Pr11 Pr15 105.59(19) . . ?
O47 Pr11 Pr18 38.15(19) . . ?
O51 Pr11 Pr18 115.58(19) . . ?
O54 Pr11 Pr18 91.89(18) . . ?
O90 Pr11 Pr18 157.79(19) . . ?
O135 Pr11 Pr18 35.1(2) . . ?
O50 Pr11 Pr18 136.91(18) . . ?
O123 Pr11 Pr18 77.7(2) . . ?
O104 Pr11 Pr18 88.3(2) . . ?
O121 Pr11 Pr18 97.44(19) . . ?
Pr15 Pr11 Pr18 156.64(3) . . ?
O47 Pr11 Pr8 35.26(18) . . ?
O51 Pr11 Pr8 59.46(19) . . ?
O54 Pr11 Pr8 98.91(19) . . ?
O90 Pr11 Pr8 125.1(2) . . ?
O135 Pr11 Pr8 96.2(2) . . ?
O50 Pr11 Pr8 98.61(18) . . ?
O123 Pr11 Pr8 37.3(2) . . ?
O104 Pr11 Pr8 113.1(2) . . ?
O121 Pr11 Pr8 153.83(19) . . ?
Pr15 Pr11 Pr8 95.64(2) . . ?
Pr18 Pr11 Pr8 61.118(17) . . ?
O39 Pr12 O32 75.2(2) . . ?
O39 Pr12 O56 73.4(3) . 3_774 ?
O32 Pr12 O56 78.1(2) . 3_774 ?
O39 Pr12 O36 66.8(2) . . ?
O32 Pr12 O36 132.4(3) . . ?
O56 Pr12 O36 64.5(2) 3_774 . ?
O39 Pr12 O78 133.4(2) . . ?
O32 Pr12 O78 69.8(2) . . ?
O56 Pr12 O78 70.1(2) 3_774 . ?
O36 Pr12 O78 118.8(2) . . ?
O39 Pr12 O25 129.2(2) . . ?
O32 Pr12 O25 134.3(3) . . ?
O56 Pr12 O25 75.2(3) 3_774 . ?
O36 Pr12 O25 63.9(3) . . ?
O78 Pr12 O25 66.5(2) . . ?
O39 Pr12 O140 140.3(3) . . ?
O32 Pr12 O140 124.1(2) . . ?
O56 Pr12 O140 139.6(3) 3_774 . ?
O36 Pr12 O140 103.5(2) . . ?
O78 Pr12 O140 85.8(3) . . ?
O25 Pr12 O140 65.3(3) . . ?
O39 Pr12 O1H 80.2(2) . . ?
O32 Pr12 O1H 68.1(3) . . ?
O56 Pr12 O1H 141.4(2) 3_774 . ?
O36 Pr12 O1H 128.5(3) . . ?
O78 Pr12 O1H 112.6(3) . . ?
O25 Pr12 O1H 142.8(2) . . ?
O140 Pr12 O1H 77.4(3) . . ?
O39 Pr12 O2 127.1(5) . . ?
O32 Pr12 O2 68.2(5) . . ?
O56 Pr12 O2 130.7(5) 3_774 . ?
O36 Pr12 O2 159.4(5) . . ?
O78 Pr12 O2 65.1(5) . . ?
O25 Pr12 O2 103.7(5) . . ?
O140 Pr12 O2 55.9(5) . . ?
O1H Pr12 O2 51.5(5) . . ?
O39 Pr12 O98 65.72(19) . . ?
O32 Pr12 O98 119.92(18) . . ?
O56 Pr12 O98 126.74(18) 3_774 . ?
O36 Pr12 O98 68.72(18) . . ?
O78 Pr12 O98 160.6(3) . . ?
O25 Pr12 O98 105.74(18) . . ?
O140 Pr12 O98 74.8(3) . . ?
O1H Pr12 O98 61.9(3) . . ?
O2 Pr12 O98 101.5(5) . . ?
O39 Pr12 Pr19 93.79(17) . . ?
O32 Pr12 Pr19 122.09(18) . . ?
O56 Pr12 Pr19 44.91(17) 3_774 . ?
O36 Pr12 Pr19 38.73(18) . . ?
O78 Pr12 Pr19 80.1(2) . . ?
O25 Pr12 Pr19 37.46(18) . . ?
O140 Pr12 Pr19 100.6(2) . . ?
O1H Pr12 Pr19 166.7(3) . . ?
O2 Pr12 Pr19 137.9(5) . . ?
O98 Pr12 Pr19 104.84(17) . . ?
O39 Pr12 Pr20 91.87(17) . . ?
O32 Pr12 Pr20 37.91(17) . . ?
O56 Pr12 Pr20 115.56(17) 3_774 . ?
O36 Pr12 Pr20 158.07(18) . . ?
O78 Pr12 Pr20 79.0(2) . . ?
O25 Pr12 Pr20 138.01(18) . . ?
O140 Pr12 Pr20 89.7(2) . . ?
O1H Pr12 Pr20 37.1(3) . . ?
O2 Pr12 Pr20 37.1(5) . . ?
O98 Pr12 Pr20 98.78(17) . . ?
Pr19 Pr12 Pr20 155.97(2) . . ?
O50 Pr13 O25 116.7(3) . 3_774 ?
O50 Pr13 O12 69.6(3) . 3_774 ?
O25 Pr13 O12 68.8(3) 3_774 3_774 ?
O50 Pr13 O78 145.1(2) . 3_774 ?
O25 Pr13 O78 68.7(2) 3_774 3_774 ?
O12 Pr13 O78 82.4(2) 3_774 3_774 ?
O50 Pr13 O53 70.4(3) . . ?
O25 Pr13 O53 125.4(3) 3_774 . ?
O12 Pr13 O53 139.3(2) 3_774 . ?
O78 Pr13 O53 137.5(2) 3_774 . ?
O50 Pr13 O35 125.2(3) . 3_774 ?
O25 Pr13 O35 71.5(3) 3_774 3_774 ?
O12 Pr13 O35 139.7(3) 3_774 3_774 ?
O78 Pr13 O35 89.6(2) 3_774 3_774 ?
O53 Pr13 O35 64.2(3) . 3_774 ?
O50 Pr13 O123 68.0(2) . . ?
O25 Pr13 O123 146.8(2) 3_774 . ?
O12 Pr13 O123 84.3(2) 3_774 . ?
O78 Pr13 O123 89.4(3) 3_774 . ?
O53 Pr13 O123 87.8(2) . . ?
O35 Pr13 O123 135.3(2) 3_774 . ?
O50 Pr13 O117 67.57(19) . . ?
O25 Pr13 O117 67.00(19) 3_774 . ?
O12 Pr13 O117 90.02(18) 3_774 . ?
O78 Pr13 O117 134.8(3) 3_774 . ?
O53 Pr13 O117 67.90(19) . . ?
O35 Pr13 O117 68.12(18) 3_774 . ?
O123 Pr13 O117 134.3(3) . . ?
O50 Pr13 Cl2 120.6(2) . . ?
O25 Pr13 Cl2 122.39(18) 3_774 . ?
O12 Pr13 Cl2 137.73(17) 3_774 . ?
O78 Pr13 Cl2 68.2(2) 3_774 . ?
O53 Pr13 Cl2 71.88(17) . . ?
O35 Pr13 Cl2 71.91(17) 3_774 . ?
O123 Pr13 Cl2 66.4(2) . . ?
O117 Pr13 Cl2 132.25(18) . . ?
O50 Pr13 Pr15 35.4(2) . . ?
O25 Pr13 Pr15 88.28(19) 3_774 . ?
O12 Pr13 Pr15 35.33(17) 3_774 . ?
O78 Pr13 Pr15 117.2(2) 3_774 . ?
O53 Pr13 Pr15 103.93(17) . . ?
O35 Pr13 Pr15 138.11(17) 3_774 . ?
O123 Pr13 Pr15 79.8(2) . . ?
O117 Pr13 Pr15 70.26(18) . . ?
Cl2 Pr13 Pr15 145.91(2) . . ?
O50 Pr13 Pr19 89.6(2) . 3_774 ?
O25 Pr13 Pr19 34.55(19) 3_774 3_774 ?
O12 Pr13 Pr19 35.07(18) 3_774 3_774 ?
O78 Pr13 Pr19 78.0(2) 3_774 3_774 ?
O53 Pr13 Pr19 138.51(17) . 3_774 ?
O35 Pr13 Pr19 104.62(18) 3_774 3_774 ?
O123 Pr13 Pr19 118.8(2) . 3_774 ?
O117 Pr13 Pr19 70.92(19) . 3_774 ?
Cl2 Pr13 Pr19 145.96(2) . 3_774 ?
Pr15 Pr13 Pr19 56.170(18) . 3_774 ?
O94 Pr14 O100 75.8(3) . . ?
O94 Pr14 O133 144.0(3) . . ?
O100 Pr14 O133 69.1(3) . . ?
O94 Pr14 O40 136.28(19) . . ?
O100 Pr14 O40 130.1(2) . . ?
O133 Pr14 O40 75.9(2) . . ?
O94 Pr14 O48 84.9(2) . . ?
O100 Pr14 O48 72.9(2) . . ?
O133 Pr14 O48 77.5(2) . . ?
O40 Pr14 O48 132.4(3) . . ?
O94 Pr14 O4 72.49(19) . 3_774 ?
O100 Pr14 O4 125.4(2) . 3_774 ?
O133 Pr14 O4 136.0(2) . 3_774 ?
O40 Pr14 O4 63.8(3) . 3_774 ?
O48 Pr14 O4 143.8(3) . 3_774 ?
O94 Pr14 O22 67.8(2) . . ?
O100 Pr14 O22 126.3(2) . . ?
O133 Pr14 O22 129.1(2) . . ?
O40 Pr14 O22 103.3(3) . . ?
O48 Pr14 O22 66.0(3) . . ?
O4 Pr14 O22 79.3(2) 3_774 . ?
O94 Pr14 O118 96.8(3) . . ?
O100 Pr14 O118 68.7(3) . . ?
O133 Pr14 O118 78.1(3) . . ?
O40 Pr14 O118 70.1(2) . . ?
O48 Pr14 O118 139.8(2) . . ?
O4 Pr14 O118 72.26(18) 3_774 . ?
O22 Pr14 O118 150.74(18) . . ?
O94 Pr14 O91 133.3(3) . . ?
O100 Pr14 O91 126.6(3) . . ?
O133 Pr14 O91 67.7(3) . . ?
O40 Pr14 O91 65.07(19) . . ?
O48 Pr14 O91 68.5(2) . . ?
O4 Pr14 O91 107.40(18) 3_774 . ?
O22 Pr14 O91 66.5(2) . . ?
O118 Pr14 O91 128.5(3) . . ?
O94 Pr14 Ni19 108.03(19) . . ?
O100 Pr14 Ni19 34.9(2) . . ?
O133 Pr14 Ni19 36.0(2) . . ?
O40 Pr14 Ni19 109.36(19) . . ?
O48 Pr14 Ni19 63.6(2) . . ?
O4 Pr14 Ni19 149.98(18) 3_774 . ?
O22 Pr14 Ni19 129.64(18) . . ?
O118 Pr14 Ni19 77.95(18) . . ?
O91 Pr14 Ni19 93.90(19) . . ?
O94 Pr14 Pr21 74.4(2) . . ?
O100 Pr14 Pr21 36.1(2) . . ?
O133 Pr14 Pr21 81.8(2) . . ?
O40 Pr14 Pr21 105.8(2) . . ?
O48 Pr14 Pr21 108.6(2) . . ?
O4 Pr14 Pr21 92.34(17) 3_774 . ?
O22 Pr14 Pr21 142.08(19) . . ?
O118 Pr14 Pr21 36.14(18) . . ?
O91 Pr14 Pr21 149.37(19) . . ?
Ni19 Pr14 Pr21 60.30(4) . . ?
O94 Pr14 Pr5 31.4(2) . . ?
O100 Pr14 Pr5 101.6(2) . . ?
O133 Pr14 Pr5 153.1(2) . . ?
O40 Pr14 Pr5 124.37(19) . . ?
O48 Pr14 Pr5 75.6(2) . . ?
O4 Pr14 Pr5 70.35(17) 3_774 . ?
O22 Pr14 Pr5 36.53(19) . . ?
O118 Pr14 Pr5 123.19(19) . . ?
O91 Pr14 Pr5 102.9(2) . . ?
Ni19 Pr14 Pr5 125.98(4) . . ?
Pr21 Pr14 Pr5 105.78(2) . . ?
O12 Pr15 O50 70.1(3) 3_774 . ?
O12 Pr15 O97 138.7(2) 3_774 3_774 ?
O50 Pr15 O97 120.3(2) . 3_774 ?
O12 Pr15 O90 127.05(18) 3_774 . ?
O50 Pr15 O90 67.6(2) . . ?
O97 Pr15 O90 90.8(3) 3_774 . ?
O12 Pr15 O19 77.8(3) 3_774 3_774 ?
O50 Pr15 O19 133.5(3) . 3_774 ?
O97 Pr15 O19 67.1(2) 3_774 3_774 ?
O90 Pr15 O19 154.82(18) . 3_774 ?
O12 Pr15 O16 126.6(3) 3_774 . ?
O50 Pr15 O16 139.8(3) . . ?
O97 Pr15 O16 73.7(2) 3_774 . ?
O90 Pr15 O16 75.25(19) . . ?
O19 Pr15 O16 86.4(3) 3_774 . ?
O12 Pr15 O10 77.1(2) 3_774 . ?
O50 Pr15 O10 133.2(2) . . ?
O97 Pr15 O10 106.4(2) 3_774 . ?
O90 Pr15 O10 111.6(2) . . ?
O19 Pr15 O10 66.3(2) 3_774 . ?
O16 Pr15 O10 50.1(2) . . ?
O12 Pr15 O85 71.24(18) 3_774 . ?
O50 Pr15 O85 78.6(2) . . ?
O97 Pr15 O85 72.3(3) 3_774 . ?
O90 Pr15 O85 127.2(3) . . ?
O19 Pr15 O85 59.35(18) 3_774 . ?
O16 Pr15 O85 138.91(18) . . ?
O10 Pr15 O85 121.06(19) . . ?
O12 Pr15 O51 75.7(3) 3_774 . ?
O50 Pr15 O51 72.0(3) . . ?
O97 Pr15 O51 144.8(2) 3_774 . ?
O90 Pr15 O51 62.11(19) . . ?
O19 Pr15 O51 131.0(3) 3_774 . ?
O16 Pr15 O51 77.6(2) . . ?
O10 Pr15 O51 68.1(2) . . ?
O85 Pr15 O51 141.54(18) . . ?
O12 Pr15 C1A 101.0(2) 3_774 . ?
O50 Pr15 C1A 142.4(2) . . ?
O97 Pr15 C1A 90.9(3) 3_774 . ?
O90 Pr15 C1A 93.8(3) . . ?
O19 Pr15 C1A 75.3(2) 3_774 . ?
O16 Pr15 C1A 25.8(2) . . ?
O10 Pr15 C1A 24.3(2) . . ?
O85 Pr15 C1A 134.7(3) . . ?
O51 Pr15 C1A 70.4(2) . . ?
O12 Pr15 Pr19 39.42(18) 3_774 3_774 ?
O50 Pr15 Pr19 95.2(2) . 3_774 ?
O97 Pr15 Pr19 99.8(2) 3_774 3_774 ?
O90 Pr15 Pr19 162.68(19) . 3_774 ?
O19 Pr15 Pr19 41.60(18) 3_774 3_774 ?
O16 Pr15 Pr19 120.76(18) . 3_774 ?
O10 Pr15 Pr19 78.59(17) . 3_774 ?
O85 Pr15 Pr19 45.89(18) . 3_774 ?
O51 Pr15 Pr19 112.31(18) . 3_774 ?
C1A Pr15 Pr19 99.6(2) . 3_774 ?
O12 Pr15 Pr11 87.47(18) 3_774 . ?
O50 Pr15 Pr11 40.2(2) . . ?
O97 Pr15 Pr11 127.5(2) 3_774 . ?
O90 Pr15 Pr11 39.60(18) . . ?
O19 Pr15 Pr11 165.01(17) 3_774 . ?
O16 Pr15 Pr11 100.28(17) . . ?
O10 Pr15 Pr11 107.89(17) . . ?
O85 Pr15 Pr11 118.61(18) . . ?
O51 Pr15 Pr11 39.94(18) . . ?
C1A Pr15 Pr11 105.1(2) . . ?
Pr19 Pr15 Pr11 125.00(2) 3_774 . ?
O90 Pr16 O54 68.7(2) . . ?
O90 Pr16 O115 78.6(3) . . ?
O54 Pr16 O115 70.18(19) . . ?
O90 Pr16 O31 152.1(2) . . ?
O54 Pr16 O31 123.5(3) . . ?
O115 Pr16 O31 128.2(2) . . ?
O90 Pr16 O110 71.3(3) . . ?
O54 Pr16 O110 131.8(2) . . ?
O115 Pr16 O110 76.7(3) . . ?
O31 Pr16 O110 104.43(19) . . ?
O90 Pr16 O92 138.8(3) . . ?
O54 Pr16 O92 73.0(2) . . ?
O115 Pr16 O92 74.8(3) . . ?
O31 Pr16 O92 65.5(2) . . ?
O110 Pr16 O92 130.0(3) . . ?
O90 Pr16 O16 76.5(2) . . ?
O54 Pr16 O16 127.8(3) . . ?
O115 Pr16 O16 138.49(19) . . ?
O31 Pr16 O16 77.0(3) . . ?
O110 Pr16 O16 64.14(19) . . ?
O92 Pr16 O16 142.0(2) . . ?
O90 Pr16 O116 128.0(3) . . ?
O54 Pr16 O116 128.5(2) . . ?
O115 Pr16 O116 67.9(3) . . ?
O31 Pr16 O116 67.30(19) . . ?
O110 Pr16 O116 63.2(3) . . ?
O92 Pr16 O116 68.3(3) . . ?
O16 Pr16 O116 103.46(19) . . ?
O90 Pr16 O13 94.38(19) . . ?
O54 Pr16 O13 76.6(3) . . ?
O115 Pr16 O13 146.38(19) . . ?
O31 Pr16 O13 67.7(2) . . ?
O110 Pr16 O13 132.47(19) . . ?
O92 Pr16 O13 90.91(19) . . ?
O16 Pr16 O13 68.5(2) . . ?
O116 Pr16 O13 134.91(19) . . ?
O90 Pr16 Ni17 75.7(2) . . ?
O54 Pr16 Ni17 35.5(2) . . ?
O115 Pr16 Ni17 35.52(19) . . ?
O31 Pr16 Ni17 129.88(19) . . ?
O110 Pr16 Ni17 108.81(19) . . ?
O92 Pr16 Ni17 64.4(2) . . ?
O16 Pr16 Ni17 151.99(18) . . ?
O116 Pr16 Ni17 95.87(19) . . ?
O13 Pr16 Ni17 110.87(17) . . ?
O90 Pr16 Pr15 37.1(2) . . ?
O54 Pr16 Pr15 93.3(2) . . ?
O115 Pr16 Pr15 113.1(2) . . ?
O31 Pr16 Pr15 115.11(19) . . ?
O110 Pr16 Pr15 68.66(19) . . ?
O92 Pr16 Pr15 161.28(18) . . ?
O16 Pr16 Pr15 40.60(17) . . ?
O116 Pr16 Pr15 130.16(19) . . ?
O13 Pr16 Pr15 73.21(17) . . ?
Ni17 Pr16 Pr15 111.47(4) . . ?
O90 Pr16 Pr11 35.71(19) . . ?
O54 Pr16 Pr11 36.0(2) . . ?
O115 Pr16 Pr11 81.85(19) . . ?
O31 Pr16 Pr11 141.13(18) . . ?
O110 Pr16 Pr11 106.60(19) . . ?
O92 Pr16 Pr11 108.88(19) . . ?
O16 Pr16 Pr11 96.13(17) . . ?
O116 Pr16 Pr11 149.46(19) . . ?
O13 Pr16 Pr11 74.16(17) . . ?
Ni17 Pr16 Pr11 58.61(3) . . ?
Pr15 Pr16 Pr11 57.878(17) . . ?
O61 Pr17 O89 84.6(2) . 3_774 ?
O61 Pr17 O103 142.9(2) . . ?
O89 Pr17 O103 78.5(3) 3_774 . ?
O61 Pr17 O110 138.0(2) . . ?
O89 Pr17 O110 131.2(3) 3_774 . ?
O103 Pr17 O110 74.8(3) . . ?
O61 Pr17 O16 73.2(3) . . ?
O89 Pr17 O16 145.0(2) 3_774 . ?
O103 Pr17 O16 134.5(2) . . ?
O110 Pr17 O16 64.79(18) . . ?
O61 Pr17 O97 97.0(2) . 3_774 ?
O89 Pr17 O97 137.8(3) 3_774 3_774 ?
O103 Pr17 O97 75.2(3) . 3_774 ?
O110 Pr17 O97 71.7(3) . 3_774 ?
O16 Pr17 O97 73.02(19) . 3_774 ?
O61 Pr17 O74 73.9(2) . . ?
O89 Pr17 O74 71.5(3) 3_774 . ?
O103 Pr17 O74 69.5(3) . . ?
O110 Pr17 O74 131.8(3) . . ?
O16 Pr17 O74 124.91(19) . . ?
O97 Pr17 O74 68.6(3) 3_774 . ?
O61 Pr17 O88 67.8(2) . . ?
O89 Pr17 O88 68.3(3) 3_774 . ?
O103 Pr17 O88 132.2(3) . . ?
O110 Pr17 O88 102.0(3) . . ?
O16 Pr17 O88 78.21(18) . . ?
O97 Pr17 O88 150.4(3) 3_774 . ?
O74 Pr17 O88 125.9(3) . . ?
O61 Pr17 O71 133.4(2) . . ?
O89 Pr17 O71 68.2(3) 3_774 . ?
O103 Pr17 O71 69.1(3) . . ?
O110 Pr17 O71 64.3(3) . . ?
O16 Pr17 O71 108.28(18) . . ?
O97 Pr17 O71 128.7(3) 3_774 . ?
O74 Pr17 O71 126.4(3) . . ?
O88 Pr17 O71 67.1(3) . . ?
O61 Pr17 Ni6 106.9(2) . . ?
O89 Pr17 Ni6 64.5(2) 3_774 . ?
O103 Pr17 Ni6 36.0(2) . . ?
O110 Pr17 Ni6 108.54(19) . . ?
O16 Pr17 Ni6 147.65(18) . . ?
O97 Pr17 Ni6 74.90(19) 3_774 . ?
O74 Pr17 Ni6 34.79(19) . . ?
O88 Pr17 Ni6 132.82(17) . . ?
O71 Pr17 Ni6 94.94(19) . . ?
O61 Pr17 Pr15 81.1(2) . . ?
O89 Pr17 Pr15 161.8(2) 3_774 . ?
O103 Pr17 Pr15 106.7(2) . . ?
O110 Pr17 Pr15 66.60(18) . . ?
O16 Pr17 Pr15 38.45(18) . . ?
O97 Pr17 Pr15 34.92(19) 3_774 . ?
O74 Pr17 Pr15 93.69(19) . . ?
O88 Pr17 Pr15 115.66(17) . . ?
O71 Pr17 Pr15 129.96(19) . . ?
Ni6 Pr17 Pr15 109.20(4) . . ?
O61 Pr17 Pr21 72.5(2) . 3_774 ?
O89 Pr17 Pr21 105.8(2) 3_774 3_774 ?
O103 Pr17 Pr21 80.6(2) . 3_774 ?
O110 Pr17 Pr21 109.16(19) . 3_774 ?
O16 Pr17 Pr21 93.23(18) . 3_774 ?
O97 Pr17 Pr21 37.8(2) 3_774 3_774 ?
O74 Pr17 Pr21 34.61(19) . 3_774 ?
O88 Pr17 Pr21 140.26(19) . 3_774 ?
O71 Pr17 Pr21 149.72(19) . 3_774 ?
Ni6 Pr17 Pr21 57.78(3) . 3_774 ?
Pr15 Pr17 Pr21 59.124(17) . 3_774 ?
O135 Pr18 O136 117.0(3) . . ?
O135 Pr18 O111 128.7(3) . . ?
O136 Pr18 O111 82.5(3) . . ?
O135 Pr18 O2 72.1(5) . . ?
O136 Pr18 O2 72.6(5) . . ?
O111 Pr18 O2 153.8(5) . . ?
O135 Pr18 O139 131.9(3) . . ?
O136 Pr18 O139 108.7(3) . . ?
O111 Pr18 O139 69.6(3) . . ?
O2 Pr18 O139 110.2(5) . . ?
O135 Pr18 O23W 66.9(4) . . ?
O136 Pr18 O23W 155.1(4) . . ?
O111 Pr18 O23W 77.5(4) . . ?
O2 Pr18 O23W 128.7(5) . . ?
O139 Pr18 O23W 78.2(4) . . ?
O135 Pr18 O47 69.2(3) . . ?
O136 Pr18 O47 68.6(2) . . ?
O111 Pr18 O47 76.9(2) . . ?
O2 Pr18 O47 101.0(6) . . ?
O139 Pr18 O47 146.4(2) . . ?
O23W Pr18 O47 92.2(3) . . ?
O135 Pr18 O140 130.8(4) . . ?
O136 Pr18 O140 50.7(3) . . ?
O111 Pr18 O140 98.9(3) . . ?
O2 Pr18 O140 58.7(5) . . ?
O139 Pr18 O140 70.3(3) . . ?
O23W Pr18 O140 147.3(4) . . ?
O47 Pr18 O140 119.0(3) . . ?
O135 Pr18 O1H 72.3(4) . . ?
O136 Pr18 O1H 119.8(3) . . ?
O111 Pr18 O1H 141.0(3) . . ?
O2 Pr18 O1H 53.2(5) . . ?
O139 Pr18 O1H 72.8(3) . . ?
O23W Pr18 O1H 85.1(4) . . ?
O47 Pr18 O1H 139.1(2) . . ?
O140 Pr18 O1H 77.6(4) . . ?
O135 Pr18 C4A 125.2(3) . . ?
O136 Pr18 C4A 24.9(3) . . ?
O111 Pr18 C4A 93.1(3) . . ?
O2 Pr18 C4A 60.8(5) . . ?
O139 Pr18 C4A 91.5(3) . . ?
O23W Pr18 C4A 167.9(4) . . ?
O47 Pr18 C4A 93.0(2) . . ?
O140 Pr18 C4A 26.0(3) . . ?
O1H Pr18 C4A 98.1(3) . . ?
O135 Pr18 Pr20 39.6(3) . . ?
O136 Pr18 Pr20 108.2(2) . . ?
O111 Pr18 Pr20 166.7(2) . . ?
O2 Pr18 Pr20 39.1(5) . . ?
O139 Pr18 Pr20 112.6(2) . . ?
O23W Pr18 Pr20 90.0(3) . . ?
O47 Pr18 Pr20 99.36(17) . . ?
O140 Pr18 Pr20 94.0(3) . . ?
O1H Pr18 Pr20 39.9(3) . . ?
C4A Pr18 Pr20 99.9(2) . . ?
O135 Pr18 Pr11 37.1(3) . . ?
O136 Pr18 Pr11 83.5(2) . . ?
O111 Pr18 Pr11 112.2(2) . . ?
O2 Pr18 Pr11 73.8(5) . . ?
O139 Pr18 Pr11 167.8(2) . . ?
O23W Pr18 Pr11 90.3(3) . . ?
O47 Pr18 Pr11 36.63(17) . . ?
O140 Pr18 Pr11 120.3(3) . . ?
O1H Pr18 Pr11 102.4(2) . . ?
C4A Pr18 Pr11 100.3(2) . . ?
Pr20 Pr18 Pr11 62.775(18) . . ?
O25 Pr19 O12 69.9(3) . . ?
O25 Pr19 O36 67.7(3) . . ?
O12 Pr19 O36 127.4(2) . . ?
O25 Pr19 O118 119.4(2) . . ?
O12 Pr19 O118 138.8(2) . . ?
O36 Pr19 O118 89.8(2) . . ?
O25 Pr19 O19 132.6(3) . . ?
O12 Pr19 O19 78.6(3) . . ?
O36 Pr19 O19 154.0(3) . . ?
O118 Pr19 O19 66.5(2) . . ?
O25 Pr19 O34 134.7(3) . 3_774 ?
O12 Pr19 O34 78.4(3) . 3_774 ?
O36 Pr19 O34 112.1(3) . 3_774 ?
O118 Pr19 O34 105.8(2) . 3_774 ?
O19 Pr19 O34 67.3(3) . 3_774 ?
O25 Pr19 O4 140.2(3) . 3_774 ?
O12 Pr19 O4 127.7(2) . 3_774 ?
O36 Pr19 O4 75.3(2) . 3_774 ?
O118 Pr19 O4 73.2(2) . 3_774 ?
O19 Pr19 O4 87.1(2) . 3_774 ?
O34 Pr19 O4 49.9(2) 3_774 3_774 ?
O25 Pr19 O85 76.82(19) . 3_774 ?
O12 Pr19 O85 70.38(18) . 3_774 ?
O36 Pr19 O85 125.89(18) . 3_774 ?
O118 Pr19 O85 73.3(3) . 3_774 ?
O19 Pr19 O85 59.38(19) . 3_774 ?
O34 Pr19 O85 121.89(18) 3_774 3_774 ?
O4 Pr19 O85 139.82(17) 3_774 3_774 ?
O25 Pr19 O56 74.1(3) . 3_774 ?
O12 Pr19 O56 77.2(2) . 3_774 ?
O36 Pr19 O56 62.4(2) . 3_774 ?
O118 Pr19 O56 143.1(2) . 3_774 ?
O19 Pr19 O56 132.2(2) . 3_774 ?
O34 Pr19 O56 67.8(2) 3_774 3_774 ?
O4 Pr19 O56 76.4(2) 3_774 3_774 ?
O85 Pr19 O56 142.12(17) 3_774 3_774 ?
O25 Pr19 C2A 143.9(2) . 3_774 ?
O12 Pr19 C2A 102.7(2) . 3_774 ?
O36 Pr19 C2A 93.9(2) . 3_774 ?
O118 Pr19 C2A 89.9(3) . 3_774 ?
O19 Pr19 C2A 76.3(2) . 3_774 ?
O34 Pr19 C2A 24.6(2) 3_774 3_774 ?
O4 Pr19 C2A 25.3(2) 3_774 3_774 ?
O85 Pr19 C2A 135.6(3) 3_774 3_774 ?
O56 Pr19 C2A 69.9(2) 3_774 3_774 ?
O25 Pr19 Pr15 93.8(2) . 3_774 ?
O12 Pr19 Pr15 39.20(17) . 3_774 ?
O36 Pr19 Pr15 161.53(18) . 3_774 ?
O118 Pr19 Pr15 100.2(2) . 3_774 ?
O19 Pr19 Pr15 42.61(19) . 3_774 ?
O34 Pr19 Pr15 80.29(19) 3_774 3_774 ?
O4 Pr19 Pr15 122.44(17) 3_774 3_774 ?
O85 Pr19 Pr15 45.02(18) 3_774 3_774 ?
O56 Pr19 Pr15 113.66(17) 3_774 3_774 ?
C2A Pr19 Pr15 101.6(2) 3_774 3_774 ?
O25 Pr19 Pr12 40.66(19) . . ?
O12 Pr19 Pr12 87.08(17) . . ?
O36 Pr19 Pr12 40.32(17) . . ?
O118 Pr19 Pr12 127.4(2) . . ?
O19 Pr19 Pr12 165.53(18) . . ?
O34 Pr19 Pr12 108.22(17) 3_774 . ?
O4 Pr19 Pr12 100.45(16) 3_774 . ?
O85 Pr19 Pr12 117.40(17) 3_774 . ?
O56 Pr19 Pr12 40.44(17) 3_774 . ?
C2A Pr19 Pr12 105.5(2) 3_774 . ?
Pr15 Pr19 Pr12 124.08(2) 3_774 . ?
O122 Pr20 O2 73.7(5) . . ?
O122 Pr20 O1H 122.0(3) . . ?
O2 Pr20 O1H 55.6(5) . . ?
O122 Pr20 O3 82.2(2) . 3_774 ?
O2 Pr20 O3 144.7(6) . 3_774 ?
O1H Pr20 O3 123.8(3) . 3_774 ?
O122 Pr20 O135 116.7(3) . . ?
O2 Pr20 O135 70.9(5) . . ?
O1H Pr20 O135 73.7(4) . . ?
O3 Pr20 O135 144.3(2) 3_774 . ?
O122 Pr20 O127 110.8(3) . . ?
O2 Pr20 O127 142.8(5) . . ?
O1H Pr20 O127 126.4(3) . . ?
O3 Pr20 O127 70.0(2) 3_774 . ?
O135 Pr20 O127 74.8(3) . . ?
O122 Pr20 O137 156.3(4) . . ?
O2 Pr20 O137 112.5(5) . . ?
O1H Pr20 O137 57.1(3) . . ?
O3 Pr20 O137 81.0(3) 3_774 . ?
O135 Pr20 O137 86.4(4) . . ?
O127 Pr20 O137 78.7(3) . . ?
O122 Pr20 O32 68.71(18) . . ?
O2 Pr20 O32 70.6(6) . . ?
O1H Pr20 O32 69.3(3) . . ?
O3 Pr20 O32 76.8(3) 3_774 . ?
O135 Pr20 O32 137.1(2) . . ?
O127 Pr20 O32 146.4(2) . . ?
O137 Pr20 O32 91.2(3) . . ?
O122 Pr20 O104 50.7(3) . . ?
O2 Pr20 O104 81.4(5) . . ?
O1H Pr20 O104 132.4(3) . . ?
O3 Pr20 O104 102.8(2) 3_774 . ?
O135 Pr20 O104 73.4(3) . . ?
O127 Pr20 O104 75.3(3) . . ?
O137 Pr20 O104 150.5(4) . . ?
O32 Pr20 O104 118.2(2) . . ?
O122 Pr20 C8A 143.1(4) . . ?
O2 Pr20 C8A 84.7(5) . . ?
O1H Pr20 C8A 29.1(3) . . ?
O3 Pr20 C8A 100.7(3) 3_774 . ?
O135 Pr20 C8A 82.1(4) . . ?
O127 Pr20 C8A 104.6(3) . . ?
O137 Pr20 C8A 28.4(3) . . ?
O32 Pr20 C8A 76.1(3) . . ?
O104 Pr20 C8A 154.7(4) . . ?
O122 Pr20 C3A 25.2(3) . . ?
O2 Pr20 C3A 75.6(5) . . ?
O1H Pr20 C3A 131.1(3) . . ?
O3 Pr20 C3A 93.2(2) 3_774 . ?
O135 Pr20 C3A 95.0(4) . . ?
O127 Pr20 C3A 93.8(3) . . ?
O137 Pr20 C3A 171.7(3) . . ?
O32 Pr20 C3A 93.2(2) . . ?
O104 Pr20 C3A 25.5(3) . . ?
C8A Pr20 C3A 159.9(3) . . ?
O122 Pr20 Pr18 109.25(19) . . ?
O2 Pr20 Pr18 39.6(5) . . ?
O1H Pr20 Pr18 43.3(3) . . ?
O3 Pr20 Pr18 166.0(2) 3_774 . ?
O135 Pr20 Pr18 37.8(2) . . ?
O127 Pr20 Pr18 111.6(2) . . ?
O137 Pr20 Pr18 85.7(3) . . ?
O32 Pr20 Pr18 99.27(17) . . ?
O104 Pr20 Pr18 91.0(2) . . ?
C8A Pr20 Pr18 65.2(3) . . ?
C3A Pr20 Pr18 100.5(2) . . ?
O19 Pr21 O74 97.6(2) . 3_774 ?
O19 Pr21 O118 67.50(19) . . ?
O74 Pr21 O118 138.4(3) 3_774 . ?
O19 Pr21 O100 97.0(2) . . ?
O74 Pr21 O100 74.5(3) 3_774 . ?
O118 Pr21 O100 69.5(3) . . ?
O19 Pr21 O97 66.76(19) . . ?
O74 Pr21 O97 69.4(3) 3_774 . ?
O118 Pr21 O97 129.0(3) . . ?
O100 Pr21 O97 137.3(3) . . ?
O19 Pr21 O105 139.2(2) . 3_774 ?
O74 Pr21 O105 64.6(3) 3_774 3_774 ?
O118 Pr21 O105 149.3(3) . 3_774 ?
O100 Pr21 O105 111.4(3) . 3_774 ?
O97 Pr21 O105 72.5(3) . 3_774 ?
O19 Pr21 N13 117.3(2) . 3_774 ?
O74 Pr21 N13 125.9(3) 3_774 3_774 ?
O118 Pr21 N13 94.4(3) . 3_774 ?
O100 Pr21 N13 133.4(3) . 3_774 ?
O97 Pr21 N13 87.2(3) . 3_774 ?
O105 Pr21 N13 61.9(3) 3_774 3_774 ?
O19 Pr21 O85 57.65(19) . 3_774 ?
O74 Pr21 O85 135.6(3) 3_774 3_774 ?
O118 Pr21 O85 70.2(3) . 3_774 ?
O100 Pr21 O85 138.4(3) . 3_774 ?
O97 Pr21 O85 66.9(3) . 3_774 ?
O105 Pr21 O85 108.4(3) 3_774 3_774 ?
N13 Pr21 O85 59.8(3) 3_774 3_774 ?
O19 Pr21 Cl5 143.9(2) . . ?
O74 Pr21 Cl5 107.5(2) 3_774 . ?
O118 Pr21 Cl5 76.56(19) . . ?
O100 Pr21 Cl5 66.5(2) . . ?
O97 Pr21 Cl5 146.5(2) . . ?
O105 Pr21 Cl5 76.2(2) 3_774 . ?
N13 Pr21 Cl5 67.3(2) 3_774 . ?
O85 Pr21 Cl5 113.17(17) 3_774 . ?
O19 Pr21 Pr19 36.81(19) . . ?
O74 Pr21 Pr19 133.2(2) 3_774 . ?
O118 Pr21 Pr19 37.19(19) . . ?
O100 Pr21 Pr19 96.8(2) . . ?
O97 Pr21 Pr19 91.76(19) . . ?
O105 Pr21 Pr19 150.9(2) 3_774 . ?
N13 Pr21 Pr19 93.8(2) 3_774 . ?
O85 Pr21 Pr19 42.55(17) 3_774 . ?
Cl5 Pr21 Pr19 110.56(12) . . ?
O19 Pr21 Pr15 37.0(2) . 3_774 ?
O74 Pr21 Pr15 96.2(2) 3_774 3_774 ?
O118 Pr21 Pr15 93.00(19) . 3_774 ?
O100 Pr21 Pr15 132.5(2) . 3_774 ?
O97 Pr21 Pr15 35.96(19) . 3_774 ?
O105 Pr21 Pr15 105.4(2) 3_774 3_774 ?
N13 Pr21 Pr15 90.1(2) 3_774 3_774 ?
O85 Pr21 Pr15 41.02(17) 3_774 3_774 ?
Cl5 Pr21 Pr15 153.90(13) . 3_774 ?
Pr19 Pr21 Pr15 55.804(18) . 3_774 ?
O19 Pr21 Pr14 70.8(2) . . ?
O74 Pr21 Pr14 101.2(2) 3_774 . ?
O118 Pr21 Pr14 37.7(2) . . ?
O100 Pr21 Pr14 35.3(2) . . ?
O97 Pr21 Pr14 134.5(2) . . ?
O105 Pr21 Pr14 145.5(2) 3_774 . ?
N13 Pr21 Pr14 127.8(2) 3_774 . ?
O85 Pr21 Pr14 103.26(17) 3_774 . ?
Cl5 Pr21 Pr14 79.03(13) . . ?
Pr19 Pr21 Pr14 61.655(19) . . ?
Pr15 Pr21 Pr14 107.33(2) 3_774 . ?
O37 Ni1 O72 98.5(2) . . ?
O37 Ni1 O58 85.8(3) . . ?
O72 Ni1 O58 89.7(2) . . ?
O37 Ni1 O73 84.9(2) . . ?
O72 Ni1 O73 173.8(3) . . ?
O58 Ni1 O73 85.4(3) . . ?
O37 Ni1 O41 97.2(3) . . ?
O72 Ni1 O41 95.4(2) . . ?
O58 Ni1 O41 173.7(3) . . ?
O73 Ni1 O41 89.3(2) . . ?
O37 Ni1 N12 160.9(3) . . ?
O72 Ni1 N12 95.3(4) . . ?
O58 Ni1 N12 81.2(3) . . ?
O73 Ni1 N12 80.3(4) . . ?
O41 Ni1 N12 94.6(3) . . ?
O28 Ni2 O70 84.1(3) . . ?
O28 Ni2 O35 97.9(3) . 3_774 ?
O70 Ni2 O35 178.0(3) . 3_774 ?
O28 Ni2 N10 161.3(3) . . ?
O70 Ni2 N10 82.6(3) . . ?
O35 Ni2 N10 95.5(3) 3_774 . ?
O28 Ni2 O52 83.9(3) . . ?
O70 Ni2 O52 83.5(3) . . ?
O35 Ni2 O52 96.9(3) 3_774 . ?
N10 Ni2 O52 81.6(3) . . ?
O28 Ni2 O53 97.8(3) . . ?
O70 Ni2 O53 96.8(3) . . ?
O35 Ni2 O53 82.7(3) 3_774 . ?
N10 Ni2 O53 96.8(3) . . ?
O52 Ni2 O53 178.3(3) . . ?
O14 Ni3 O15 83.8(3) . . ?
O14 Ni3 O44 96.0(3) . . ?
O15 Ni3 O44 91.8(3) . . ?
O14 Ni3 O101 85.9(2) . . ?
O15 Ni3 O101 87.6(2) . . ?
O44 Ni3 O101 178.0(3) . . ?
O14 Ni3 N5 161.3(3) . . ?
O15 Ni3 N5 82.2(3) . . ?
O44 Ni3 N5 96.8(3) . . ?
O101 Ni3 N5 81.2(4) . . ?
O14 Ni3 O131 96.4(2) . . ?
O15 Ni3 O131 179.0(2) . . ?
O44 Ni3 O131 87.2(2) . . ?
O101 Ni3 O131 93.4(3) . . ?
N5 Ni3 O131 97.8(4) . . ?
O14 Ni3 Pr7 42.8(2) . . ?
O15 Ni3 Pr7 93.8(2) . . ?
O44 Ni3 Pr7 137.1(2) . . ?
O101 Ni3 Pr7 44.9(2) . . ?
N5 Ni3 Pr7 126.1(3) . . ?
O131 Ni3 Pr7 87.0(2) . . ?
O14 Ni3 Pr1 41.9(2) . . ?
O15 Ni3 Pr1 43.5(2) . . ?
O44 Ni3 Pr1 86.3(2) . . ?
O101 Ni3 Pr1 94.6(2) . . ?
N5 Ni3 Pr1 125.7(3) . . ?
O131 Ni3 Pr1 136.4(2) . . ?
Pr7 Ni3 Pr1 69.63(3) . . ?
O65 Ni4 O64 99.2(3) . . ?
O65 Ni4 O95 84.5(2) . . ?
O64 Ni4 O95 88.5(2) . . ?
O65 Ni4 O67 85.3(3) . . ?
O64 Ni4 O67 170.2(3) . . ?
O95 Ni4 O67 83.3(2) . . ?
O65 Ni4 O68 97.0(3) . . ?
O64 Ni4 O68 97.8(3) . . ?
O95 Ni4 O68 173.2(2) . . ?
O67 Ni4 O68 90.2(3) . . ?
O65 Ni4 N16 162.7(3) . . ?
O64 Ni4 N16 91.3(3) . . ?
O95 Ni4 N16 82.1(3) . . ?
O67 Ni4 N16 82.5(3) . . ?
O68 Ni4 N16 95.1(3) . . ?
O7 Ni5 O82 84.1(2) . . ?
O7 Ni5 O99 96.1(2) . 3_774 ?
O82 Ni5 O99 93.1(3) . 3_774 ?
O7 Ni5 O57 84.1(3) . . ?
O82 Ni5 O57 89.2(2) . . ?
O99 Ni5 O57 177.8(2) 3_774 . ?
O7 Ni5 O62 94.8(3) . . ?
O82 Ni5 O62 178.4(3) . . ?
O99 Ni5 O62 85.9(3) 3_774 . ?
O57 Ni5 O62 91.8(3) . . ?
O7 Ni5 N6 159.3(3) . . ?
O82 Ni5 N6 81.5(3) . . ?
O99 Ni5 N6 99.4(4) 3_774 . ?
O57 Ni5 N6 80.9(3) . . ?
O62 Ni5 N6 99.9(3) . . ?
O7 Ni5 Pr3 42.2(2) . . ?
O82 Ni5 Pr3 43.5(2) . . ?
O99 Ni5 Pr3 87.2(2) 3_774 . ?
O57 Ni5 Pr3 94.4(2) . . ?
O62 Ni5 Pr3 135.2(3) . . ?
N6 Ni5 Pr3 125.0(3) . . ?
O7 Ni5 Pr2 41.8(2) . . ?
O82 Ni5 Pr2 94.6(2) . . ?
O99 Ni5 Pr2 135.7(2) 3_774 . ?
O57 Ni5 Pr2 43.9(2) . . ?
O62 Ni5 Pr2 85.2(2) . . ?
N6 Ni5 Pr2 124.8(3) . . ?
Pr3 Ni5 Pr2 69.62(3) . . ?
O74 Ni6 N4 169.2(4) . . ?
O74 Ni6 O124 108.7(4) . . ?
N4 Ni6 O124 82.1(4) . . ?
O74 Ni6 O103 88.9(4) . . ?
N4 Ni6 O103 80.3(4) . . ?
O124 Ni6 O103 162.4(4) . . ?
O74 Ni6 O105 81.7(4) . . ?
N4 Ni6 O105 97.9(4) . . ?
O124 Ni6 O105 89.9(4) . . ?
O103 Ni6 O105 92.5(4) . . ?
O74 Ni6 O126 90.7(3) . 3_774 ?
N4 Ni6 O126 91.1(4) . 3_774 ?
O124 Ni6 O126 84.5(4) . 3_774 ?
O103 Ni6 O126 95.8(4) . 3_774 ?
O105 Ni6 O126 168.6(4) . 3_774 ?
O74 Ni6 Pr17 46.0(3) . . ?
N4 Ni6 Pr17 123.6(3) . . ?
O124 Ni6 Pr17 152.2(3) . . ?
O103 Ni6 Pr17 44.7(2) . . ?
O105 Ni6 Pr17 96.1(2) . . ?
O126 Ni6 Pr17 84.5(2) 3_774 . ?
O33 Ni7 O6 95.4(3) . . ?
O33 Ni7 O77 82.2(2) . . ?
O6 Ni7 O77 84.0(2) . . ?
O33 Ni7 O86 174.7(2) . . ?
O6 Ni7 O86 88.5(2) . . ?
O77 Ni7 O86 101.8(3) . . ?
O33 Ni7 N17 83.6(3) . . ?
O6 Ni7 N17 81.6(3) . . ?
O77 Ni7 N17 158.6(4) . . ?
O86 Ni7 N17 93.5(4) . . ?
O33 Ni7 O96 89.8(2) . 3_774 ?
O6 Ni7 O96 173.3(3) . 3_774 ?
O77 Ni7 O96 100.9(3) . 3_774 ?
O86 Ni7 O96 86.1(3) . 3_774 ?
N17 Ni7 O96 94.8(4) . 3_774 ?
O92 Ni8 O31 83.0(2) . . ?
O92 Ni8 O21 95.6(2) . . ?
O31 Ni8 O21 83.8(3) . . ?
O92 Ni8 O69 174.7(3) . . ?
O31 Ni8 O69 101.9(3) . . ?
O21 Ni8 O69 86.8(3) . . ?
O92 Ni8 O106 90.0(3) . . ?
O31 Ni8 O106 100.4(3) . . ?
O21 Ni8 O106 173.4(3) . . ?
O69 Ni8 O106 87.3(3) . . ?
O92 Ni8 N11 81.7(4) . . ?
O31 Ni8 N11 156.3(3) . . ?
O21 Ni8 N11 79.8(3) . . ?
O69 Ni8 N11 94.1(3) . . ?
O106 Ni8 N11 97.7(4) . . ?
O113 Ni9 O11 82.5(2) . . ?
O113 Ni9 N14 84.9(4) . . ?
O11 Ni9 N14 157.7(3) . . ?
O113 Ni9 O23 174.5(2) . . ?
O11 Ni9 O23 100.7(3) . . ?
N14 Ni9 O23 93.5(3) . . ?
O113 Ni9 O79 97.8(3) . . ?
O11 Ni9 O79 84.5(2) . . ?
N14 Ni9 O79 79.2(4) . . ?
O23 Ni9 O79 87.0(2) . . ?
O113 Ni9 O30 88.6(2) . 3_774 ?
O11 Ni9 O30 100.8(3) . 3_774 ?
N14 Ni9 O30 97.1(3) . 3_774 ?
O23 Ni9 O30 86.3(3) . 3_774 ?
O79 Ni9 O30 172.2(2) . 3_774 ?
O42 Ni10 O83 86.5(2) . . ?
O42 Ni10 O81 97.1(2) . . ?
O83 Ni10 O81 173.8(3) . . ?
O42 Ni10 O60 83.0(3) . . ?
O83 Ni10 O60 86.1(2) . . ?
O81 Ni10 O60 89.4(2) . . ?
O42 Ni10 N9 160.8(3) . . ?
O83 Ni10 N9 80.8(4) . . ?
O81 Ni10 N9 94.4(4) . . ?
O60 Ni10 N9 81.8(3) . . ?
O42 Ni10 O84 97.1(2) . . ?
O83 Ni10 O84 88.9(3) . . ?
O81 Ni10 O84 95.6(3) . . ?
O60 Ni10 O84 174.9(2) . . ?
N9 Ni10 O84 97.0(4) . . ?
O63 Ni11 O107 174.3(3) . . ?
O63 Ni11 O39 88.9(3) . . ?
O107 Ni11 O39 96.8(3) . . ?
O63 Ni11 O46 93.1(3) . . ?
O107 Ni11 O46 87.2(3) . . ?
O39 Ni11 O46 90.9(3) . . ?
O63 Ni11 N18 82.6(3) . . ?
O107 Ni11 N18 91.9(4) . . ?
O39 Ni11 N18 161.9(3) . . ?
O46 Ni11 N18 105.4(3) . . ?
O63 Ni11 O98 89.7(2) . . ?
O107 Ni11 O98 90.3(4) . . ?
O39 Ni11 O98 85.4(2) . . ?
O46 Ni11 O98 175.3(3) . . ?
N18 Ni11 O98 78.6(4) . . ?
O63 Ni11 Pr10 44.7(2) . . ?
O107 Ni11 Pr10 141.0(3) . . ?
O39 Ni11 Pr10 45.1(2) . . ?
O46 Ni11 Pr10 85.6(2) . . ?
N18 Ni11 Pr10 127.0(3) . . ?
O98 Ni11 Pr10 93.8(2) . . ?
O49 Ni12 O108 174.0(3) 3_774 . ?
O49 Ni12 O88 86.1(2) 3_774 . ?
O108 Ni12 O88 98.2(4) . . ?
O49 Ni12 O89 95.1(3) 3_774 3_774 ?
O108 Ni12 O89 89.3(4) . 3_774 ?
O88 Ni12 O89 86.0(3) . 3_774 ?
O49 Ni12 O138 88.3(3) 3_774 . ?
O108 Ni12 O138 87.2(4) . . ?
O88 Ni12 O138 95.0(3) . . ?
O89 Ni12 O138 176.5(4) 3_774 . ?
O49 Ni12 N3 81.6(3) 3_774 3_774 ?
O108 Ni12 N3 95.0(4) . 3_774 ?
O88 Ni12 N3 162.8(4) . 3_774 ?
O89 Ni12 N3 83.1(4) 3_774 3_774 ?
O138 Ni12 N3 96.6(4) . 3_774 ?
O49 Ni12 Pr9 42.7(2) 3_774 . ?
O108 Ni12 Pr9 140.9(3) . . ?
O88 Ni12 Pr9 43.7(2) . . ?
O89 Ni12 Pr9 95.1(2) 3_774 . ?
O138 Ni12 Pr9 87.9(2) . . ?
N3 Ni12 Pr9 124.1(3) 3_774 . ?
O40 Ni13 O91 85.9(3) . . ?
O40 Ni13 O102 97.0(3) . . ?
O91 Ni13 O102 176.9(4) . . ?
O40 Ni13 O114 81.9(2) . . ?
O91 Ni13 O114 85.6(3) . . ?
O102 Ni13 O114 93.7(3) . . ?
O40 Ni13 O38 99.7(4) . . ?
O91 Ni13 O38 88.1(3) . . ?
O102 Ni13 O38 92.6(3) . . ?
O114 Ni13 O38 173.3(3) . . ?
O40 Ni13 N15 159.8(3) . . ?
O91 Ni13 N15 81.5(4) . . ?
O102 Ni13 N15 95.4(4) . . ?
O114 Ni13 N15 81.4(4) . . ?
O38 Ni13 N15 95.6(3) . . ?
O8 Ni14 O93 84.8(2) 3_774 3_774 ?
O8 Ni14 O80 95.2(3) 3_774 . ?
O93 Ni14 O80 93.0(3) 3_774 . ?
O8 Ni14 O76 85.5(3) 3_774 3_774 ?
O93 Ni14 O76 88.0(3) 3_774 3_774 ?
O80 Ni14 O76 178.8(4) . 3_774 ?
O8 Ni14 O112 95.4(3) 3_774 . ?
O93 Ni14 O112 177.9(3) 3_774 . ?
O80 Ni14 O112 84.9(3) . . ?
O76 Ni14 O112 94.1(3) 3_774 . ?
O8 Ni14 N8 160.8(3) 3_774 3_774 ?
O93 Ni14 N8 82.1(4) 3_774 3_774 ?
O80 Ni14 N8 99.4(4) . 3_774 ?
O76 Ni14 N8 80.2(4) 3_774 3_774 ?
O112 Ni14 N8 98.2(4) . 3_774 ?
O8 Ni14 Pr5 42.9(2) 3_774 . ?
O93 Ni14 Pr5 94.8(2) 3_774 . ?
O80 Ni14 Pr5 136.2(3) . . ?
O76 Ni14 Pr5 44.3(3) 3_774 . ?
O112 Ni14 Pr5 86.8(2) . . ?
N8 Ni14 Pr5 124.4(3) 3_774 . ?
O8 Ni14 Pr9 43.2(2) 3_774 3_774 ?
O93 Ni14 Pr9 43.9(2) 3_774 3_774 ?
O80 Ni14 Pr9 84.7(3) . 3_774 ?
O76 Ni14 Pr9 96.4(2) 3_774 3_774 ?
O112 Ni14 Pr9 135.7(3) . 3_774 ?
N8 Ni14 Pr9 125.9(3) 3_774 3_774 ?
Pr5 Ni14 Pr9 71.96(3) . 3_774 ?
O43 Ni15 N1 81.1(3) 3_774 3_774 ?
O43 Ni15 O109 96.5(2) 3_774 3_774 ?
N1 Ni15 O109 81.7(4) 3_774 3_774 ?
O43 Ni15 O55 87.4(3) 3_774 . ?
N1 Ni15 O55 98.4(3) 3_774 . ?
O109 Ni15 O55 176.1(3) 3_774 . ?
O43 Ni15 O18 83.9(3) 3_774 . ?
N1 Ni15 O18 156.6(3) 3_774 . ?
O109 Ni15 O18 82.3(2) 3_774 . ?
O55 Ni15 O18 98.7(3) . . ?
O43 Ni15 O75 173.0(2) 3_774 3_774 ?
N1 Ni15 O75 94.0(4) 3_774 3_774 ?
O109 Ni15 O75 87.7(3) 3_774 3_774 ?
O55 Ni15 O75 88.3(2) . 3_774 ?
O18 Ni15 O75 102.3(2) . 3_774 ?
O48 Ni16 O132 90.5(3) . . ?
O48 Ni16 O66 93.7(4) . . ?
O132 Ni16 O66 175.1(3) . . ?
O48 Ni16 O130 176.2(3) . 3_774 ?
O132 Ni16 O130 86.9(4) . 3_774 ?
O66 Ni16 O130 88.8(3) . 3_774 ?
O48 Ni16 O22 85.9(3) . . ?
O132 Ni16 O22 95.9(3) . . ?
O66 Ni16 O22 87.0(3) . . ?
O130 Ni16 O22 97.1(3) 3_774 . ?
O48 Ni16 N2 81.9(3) . . ?
O132 Ni16 N2 95.5(4) . . ?
O66 Ni16 N2 82.5(3) . . ?
O130 Ni16 N2 95.6(4) 3_774 . ?
O22 Ni16 N2 163.4(3) . . ?
O48 Ni16 Pr5 94.5(3) . . ?
O132 Ni16 Pr5 138.8(3) . . ?
O66 Ni16 Pr5 43.5(2) . . ?
O130 Ni16 Pr5 89.2(3) 3_774 . ?
O22 Ni16 Pr5 44.0(2) . . ?
N2 Ni16 Pr5 125.7(3) . . ?
O115 Ni17 O54 88.7(2) . . ?
O115 Ni17 O24W 174.4(4) . . ?
O54 Ni17 O24W 96.1(3) . . ?
O115 Ni17 N19 82.2(4) . . ?
O54 Ni17 N19 162.4(3) . . ?
O24W Ni17 N19 92.4(4) . . ?
O115 Ni17 O120 93.7(3) . . ?
O54 Ni17 O120 93.8(3) . . ?
O24W Ni17 O120 88.8(4) . . ?
N19 Ni17 O120 101.8(4) . . ?
O115 Ni17 O121 88.3(3) . . ?
O54 Ni17 O121 83.9(2) . . ?
O24W Ni17 O121 89.4(4) . . ?
N19 Ni17 O121 80.8(4) . . ?
O120 Ni17 O121 176.9(3) . . ?
O115 Ni17 Na1 136.5(3) . 2_654 ?
O54 Ni17 Na1 107.0(4) . 2_654 ?
O24W Ni17 Na1 44.4(3) . 2_654 ?
N19 Ni17 Na1 89.8(3) . 2_654 ?
O120 Ni17 Na1 46.2(2) . 2_654 ?
O121 Ni17 Na1 132.6(3) . 2_654 ?
O115 Ni17 Pr16 45.1(2) . . ?
O54 Ni17 Pr16 44.8(2) . . ?
O24W Ni17 Pr16 140.2(3) . . ?
N19 Ni17 Pr16 127.2(3) . . ?
O120 Ni17 Pr16 87.1(3) . . ?
O121 Ni17 Pr16 92.6(2) . . ?
Na1 Ni17 Pr16 128.0(3) 2_654 . ?
O110 Ni18 O71 84.3(3) . . ?
O110 Ni18 O134 98.1(4) . . ?
O71 Ni18 O134 177.3(4) . . ?
O110 Ni18 O129 99.9(3) . . ?
O71 Ni18 O129 87.1(4) . . ?
O134 Ni18 O129 93.7(4) . . ?
O110 Ni18 O116 81.5(3) . . ?
O71 Ni18 O116 85.3(3) . . ?
O134 Ni18 O116 93.9(4) . . ?
O129 Ni18 O116 172.1(4) . . ?
O110 Ni18 N7 159.3(4) . . ?
O71 Ni18 N7 81.9(4) . . ?
O134 Ni18 N7 95.4(4) . . ?
O129 Ni18 N7 94.7(4) . . ?
O116 Ni18 N7 82.1(4) . . ?
O13W Ni19 O100 102.8(4) . . ?
O13W Ni19 N20 94.2(5) . . ?
O100 Ni19 N20 160.0(5) . . ?
O13W Ni19 O119 82.2(4) . . ?
O100 Ni19 O119 95.5(4) . . ?
N20 Ni19 O119 97.3(6) . . ?
O13W Ni19 O133 171.3(4) . . ?
O100 Ni19 O133 84.8(3) . . ?
N20 Ni19 O133 79.2(5) . . ?
O119 Ni19 O133 93.1(4) . . ?
O13W Ni19 Cl5 93.4(3) . . ?
O100 Ni19 Cl5 87.4(3) . . ?
N20 Ni19 Cl5 81.0(5) . . ?
O119 Ni19 Cl5 175.1(3) . . ?
O133 Ni19 Cl5 91.0(3) . . ?
O13W Ni19 Pr14 142.0(3) . . ?
O100 Ni19 Pr14 43.3(3) . . ?
N20 Ni19 Pr14 122.9(4) . . ?
O119 Ni19 Pr14 84.8(3) . . ?
O133 Ni19 Pr14 43.9(2) . . ?
Cl5 Ni19 Pr14 99.92(17) . . ?
O24W Na1 O120 83.4(5) 2_644 2_644 ?
O24W Na1 O20W 94.8(7) 2_644 3_765 ?
O120 Na1 O20W 94.4(6) 2_644 3_765 ?
O24W Na1 Ni17 42.1(3) 2_644 2_644 ?
O120 Na1 Ni17 42.9(2) 2_644 2_644 ?
O20W Na1 Ni17 87.0(6) 3_765 2_644 ?
Pr13 Cl2 Pr13 180.0 . 3_774 ?
Ni19 Cl5 Pr21 91.8(3) . . ?
Pr20 O2 Pr18 101.3(8) . . ?
Pr20 O2 Pr12 101.8(8) . . ?
Pr18 O2 Pr12 103.8(8) . . ?
C66 O3 Pr20 133.4(6) . 3_774 ?
C2A O4 Pr10 122.5(5) . 3_774 ?
C2A O4 Pr14 119.5(5) . 3_774 ?
Pr10 O4 Pr14 110.7(3) 3_774 3_774 ?
C2A O4 Pr19 93.6(6) . 3_774 ?
Pr10 O4 Pr19 98.6(3) 3_774 3_774 ?
Pr14 O4 Pr19 105.3(3) 3_774 3_774 ?
Pr4 O5 Pr2 115.7(3) . . ?
Pr4 O5 Pr3 119.2(3) . . ?
Pr2 O5 Pr3 107.4(3) . . ?
C68 O6 Ni7 115.7(6) . . ?
C68 O6 Pr2 139.7(6) . . ?
Ni7 O6 Pr2 103.0(3) . . ?
Ni5 O7 Pr3 103.5(3) . . ?
Ni5 O7 Pr2 104.5(3) . . ?
Pr3 O7 Pr2 111.9(3) . . ?
Ni14 O8 Pr5 103.2(3) 3_774 3_774 ?
Ni14 O8 Pr9 103.1(3) 3_774 . ?
Pr5 O8 Pr9 113.9(3) 3_774 . ?
C6A O9 Pr1 134.6(5) . . ?
C6A O9 Pr8 119.0(5) . . ?
Pr1 O9 Pr8 106.3(3) . . ?
C1A O10 Pr4 111.1(6) . . ?
C1A O10 Pr15 96.8(6) . . ?
Pr4 O10 Pr15 152.1(3) . . ?
Ni9 O11 Pr1 104.1(3) . . ?
Ni9 O11 Pr8 107.6(3) . . ?
Pr1 O11 Pr8 115.1(3) . . ?
Pr15 O12 Pr19 101.4(3) 3_774 . ?
Pr15 O12 Pr13 108.3(3) 3_774 3_774 ?
Pr19 O12 Pr13 109.0(3) . 3_774 ?
C6A O13 Pr7 135.5(5) . . ?
C6A O13 Pr16 117.2(5) . . ?
Pr7 O13 Pr16 106.7(3) . . ?
Ni3 O14 Pr7 103.1(3) . . ?
Ni3 O14 Pr1 104.9(3) . . ?
Pr7 O14 Pr1 110.7(3) . . ?
C18 O15 Ni3 115.4(6) . . ?
C18 O15 Pr1 139.0(5) . . ?
Ni3 O15 Pr1 102.0(3) . . ?
C1A O16 Pr17 120.9(5) . . ?
C1A O16 Pr16 121.8(5) . . ?
Pr17 O16 Pr16 109.5(3) . . ?
C1A O16 Pr15 95.2(5) . . ?
Pr17 O16 Pr15 104.1(3) . . ?
Pr16 O16 Pr15 99.1(3) . . ?
C7A O17 Pr3 136.8(5) . . ?
C7A O17 Pr10 114.4(5) . 3_774 ?
Pr3 O17 Pr10 107.2(3) . 3_774 ?
Ni15 O18 Pr10 104.3(3) . 3_774 ?
Ni15 O18 Pr3 103.6(3) . . ?
Pr10 O18 Pr3 115.9(3) 3_774 . ?
Pr21 O19 Pr19 107.6(3) . . ?
Pr21 O19 Pr15 108.1(3) . 3_774 ?
Pr19 O19 Pr15 95.8(3) . 3_774 ?
C5A O20 Pr8 122.3(6) . . ?
C5A O20 Pr6 122.7(5) . 3_774 ?
Pr8 O20 Pr6 114.4(3) . 3_774 ?
C42 O21 Ni8 116.1(5) . . ?
C42 O21 Pr7 138.2(6) . . ?
Ni8 O21 Pr7 101.7(3) . . ?
Ni16 O22 Pr5 101.3(3) . . ?
Ni16 O22 Pr14 102.4(3) . . ?
Pr5 O22 Pr14 106.2(3) . . ?
C62 O23 Ni9 121.6(5) . . ?
Pr4 O24 Pr1 117.0(3) . . ?
Pr4 O24 Pr7 120.9(3) . . ?
Pr1 O24 Pr7 108.9(3) . . ?
Pr19 O25 Pr13 110.6(3) . 3_774 ?
Pr19 O25 Pr12 101.9(3) . . ?
Pr13 O25 Pr12 112.8(3) 3_774 . ?
C7A O26 Pr6 121.1(5) . 3_774 ?
C7A O26 Pr2 132.5(5) . . ?
Pr6 O26 Pr2 106.2(3) 3_774 . ?
C2A O27 Pr3 121.6(5) . . ?
C2A O27 Pr5 121.8(5) . 3_774 ?
Pr3 O27 Pr5 113.7(3) . 3_774 ?
Ni2 O28 Pr6 107.5(3) . . ?
Ni2 O28 Pr8 107.7(3) . 3_774 ?
Pr6 O28 Pr8 116.2(3) . 3_774 ?
C5A O29 Pr4 110.2(6) . . ?
C40 O30 Ni9 121.4(5) . 3_774 ?
Ni8 O31 Pr7 105.4(3) . . ?
Ni8 O31 Pr16 105.3(3) . . ?
Pr7 O31 Pr16 115.1(3) . . ?
Pr6 O32 Pr12 109.7(3) . . ?
Pr6 O32 Pr20 108.1(3) . . ?
Pr12 O32 Pr20 105.4(3) . . ?
C66 O33 Ni7 112.9(6) . . ?
C66 O33 Pr6 141.1(6) . 3_774 ?
Ni7 O33 Pr6 104.5(3) . 3_774 ?
C2A O34 Pr4 112.2(6) . . ?
C2A O34 Pr19 96.5(6) . 3_774 ?
Pr4 O34 Pr19 151.4(4) . 3_774 ?
C4A O35 Ni2 121.0(6) . 3_774 ?
C4A O35 Pr13 126.0(6) . 3_774 ?
Ni2 O35 Pr13 106.6(3) 3_774 3_774 ?
Pr10 O36 Pr19 106.0(3) . . ?
Pr10 O36 Pr12 108.9(3) . . ?
Pr19 O36 Pr12 100.9(3) . . ?
Ni1 O37 Pr7 105.1(3) . . ?
Ni1 O37 Pr9 104.2(3) . . ?
Pr7 O37 Pr9 110.4(3) . . ?
C78 O38 Ni13 126.1(7) . . ?
Ni11 O39 Pr10 99.0(3) . . ?
Ni11 O39 Pr12 108.3(3) . . ?
Pr10 O39 Pr12 109.3(3) . . ?
Ni13 O40 Pr14 104.9(3) . . ?
Ni13 O40 Pr10 107.6(3) . . ?
Pr14 O40 Pr10 113.2(3) . . ?
C19 O41 Ni1 126.7(6) . . ?
Ni10 O42 Pr3 106.4(3) . . ?
Ni10 O42 Pr5 105.1(3) . 3_774 ?
Pr3 O42 Pr5 110.8(3) . 3_774 ?
C1 O43 Ni15 114.6(6) . 3_774 ?
C1 O43 Pr3 139.4(6) . 3_774 ?
Ni15 O43 Pr3 103.2(3) 3_774 3_774 ?
C54 O44 Ni3 124.5(6) . . ?
C5A O45 Pr2 122.1(5) . . ?
C5A O45 Pr1 119.3(5) . . ?
Pr2 O45 Pr1 115.4(3) . . ?
C5A O45 Pr4 87.0(5) . . ?
Pr2 O45 Pr4 100.5(3) . . ?
Pr1 O45 Pr4 100.7(2) . . ?
C4 O46 Ni11 126.0(6) . . ?
Pr8 O47 Pr11 109.3(3) . . ?
Pr8 O47 Pr18 108.6(3) . . ?
Pr11 O47 Pr18 105.2(3) . . ?
C14 O48 Ni16 115.7(7) . . ?
C14 O48 Pr14 137.9(7) . . ?
Ni16 O48 Pr14 104.6(3) . . ?
C12 O49 Ni12 113.5(6) . 3_774 ?
C12 O49 Pr9 139.7(6) . 3_774 ?
Ni12 O49 Pr9 104.1(3) 3_774 3_774 ?
Pr13 O50 Pr15 109.7(3) . . ?
Pr13 O50 Pr11 115.4(3) . . ?
Pr15 O50 Pr11 102.0(3) . . ?
C6A O51 Pr11 129.5(5) . . ?
C6A O51 Pr15 130.5(5) . . ?
Pr11 O51 Pr15 94.7(3) . . ?
C40 O52 Ni2 113.5(6) . . ?
C40 O52 Pr8 146.0(6) . 3_774 ?
Ni2 O52 Pr8 98.7(3) . 3_774 ?
C3A O53 Ni2 119.2(6) . . ?
C3A O53 Pr13 128.3(6) . . ?
Ni2 O53 Pr13 106.5(3) . . ?
Ni17 O54 Pr16 99.7(3) . . ?
Ni17 O54 Pr11 108.9(4) . . ?
Pr16 O54 Pr11 108.9(3) . . ?
C34 O55 Ni15 123.8(7) . . ?
C7A O56 Pr12 131.0(5) . 3_774 ?
C7A O56 Pr19 131.3(5) . 3_774 ?
Pr12 O56 Pr19 94.7(3) 3_774 3_774 ?
C24 O57 Ni5 115.8(6) . . ?
C24 O57 Pr2 142.0(6) . . ?
Ni5 O57 Pr2 100.8(3) . . ?
C47 O58 Ni1 118.9(6) . . ?
C47 O58 Pr9 138.9(6) . . ?
Ni1 O58 Pr9 102.0(3) . . ?
Pr4 O59 Pr9 120.8(4) . . ?
Pr4 O59 Pr5 119.6(4) . 3_774 ?
Pr9 O59 Pr5 109.3(3) . 3_774 ?
C34 O60 Ni10 115.1(6) . . ?
C34 O60 Pr3 142.0(6) . . ?
Ni10 O60 Pr3 102.4(3) . . ?
Pr9 O61 Pr17 116.3(3) . . ?
C68 O62 Ni5 126.1(6) . . ?
C72 O63 Ni11 117.3(5) . . ?
C72 O63 Pr10 142.2(5) . . ?
Ni11 O63 Pr10 100.0(3) . . ?
C18 O64 Ni4 126.8(6) . . ?
Ni4 O65 Pr1 104.8(3) . . ?
Ni4 O65 Pr2 103.7(3) . . ?
Pr1 O65 Pr2 110.2(3) . . ?
C16 O66 Ni16 113.9(7) . . ?
C16 O66 Pr5 142.9(7) . . ?
Ni16 O66 Pr5 102.3(3) . . ?
C63 O67 Ni4 114.5(6) . . ?
C63 O67 Pr2 142.5(6) . . ?
Ni4 O67 Pr2 102.9(3) . . ?
C24 O68 Ni4 126.9(6) . . ?
C46 O69 Ni8 123.4(6) . . ?
C38 O70 Ni2 115.3(5) . . ?
C38 O70 Pr6 144.4(5) . . ?
Ni2 O70 Pr6 99.4(3) . . ?
C26 O71 Ni18 115.1(8) . . ?
C26 O71 Pr17 143.2(8) . . ?
Ni18 O71 Pr17 101.6(3) . . ?
C30 O72 Ni1 126.2(8) . . ?
C46 O73 Ni1 116.8(8) . . ?
C46 O73 Pr7 140.2(8) . . ?
Ni1 O73 Pr7 102.2(3) . . ?
Ni6 O74 Pr21 111.0(4) . 3_774 ?
Ni6 O74 Pr17 99.2(3) . . ?
Pr21 O74 Pr17 109.2(3) 3_774 . ?
C59 O75 Ni15 119.7(8) . 3_774 ?
C32 O76 Ni14 117.7(8) . 3_774 ?
C32 O76 Pr5 140.8(8) . 3_774 ?
Ni14 O76 Pr5 100.1(3) 3_774 3_774 ?
Ni7 O77 Pr2 103.9(3) . . ?
Ni7 O77 Pr6 108.1(3) . 3_774 ?
Pr2 O77 Pr6 115.3(3) . 3_774 ?
Pr6 O78 Pr12 104.9(3) . . ?
Pr6 O78 Pr13 141.7(4) . 3_774 ?
Pr12 O78 Pr13 109.1(3) . 3_774 ?
C54 O79 Ni9 115.8(7) . . ?
C54 O79 Pr1 140.6(8) . . ?
Ni9 O79 Pr1 101.2(3) . . ?
C12 O80 Ni14 127.9(8) . . ?
C22 O81 Ni10 126.5(8) . . ?
C22 O82 Ni5 116.8(7) . . ?
C22 O82 Pr3 141.1(7) . . ?
Ni5 O82 Pr3 101.3(3) . . ?
C36 O83 Ni10 115.9(8) . . ?
C36 O83 Pr5 142.8(8) . 3_774 ?
Ni10 O83 Pr5 101.3(3) . 3_774 ?
C32 O84 Ni10 124.4(8) . . ?
C52 O85 Pr15 128.8(7) . . ?
C52 O85 Pr19 123.3(7) . 3_774 ?
Pr15 O85 Pr19 89.1(2) . 3_774 ?
C52 O85 Pr21 120.3(7) . 3_774 ?
Pr15 O85 Pr21 93.9(3) . 3_774 ?
Pr19 O85 Pr21 91.5(3) 3_774 3_774 ?
C63 O86 Ni7 121.6(8) . . ?
C1A O87 Pr9 122.7(7) . . ?
C1A O87 Pr7 121.0(7) . . ?
Pr9 O87 Pr7 114.7(3) . . ?
Ni12 O88 Pr9 101.7(3) . . ?
Ni12 O88 Pr17 100.6(3) . . ?
Pr9 O88 Pr17 106.7(3) . . ?
C10 O89 Ni12 114.4(9) . 3_774 ?
C10 O89 Pr17 141.2(9) . 3_774 ?
Ni12 O89 Pr17 104.0(3) 3_774 3_774 ?
Pr16 O90 Pr15 106.8(3) . . ?
Pr16 O90 Pr11 110.0(3) . . ?
Pr15 O90 Pr11 101.4(3) . . ?
C58 O91 Ni13 115.1(8) . . ?
C58 O91 Pr14 144.1(8) . . ?
Ni13 O91 Pr14 100.7(3) . . ?
C44 O92 Ni8 117.5(9) . . ?
C44 O92 Pr16 138.1(9) . . ?
Ni8 O92 Pr16 104.2(4) . . ?
C30 O93 Ni14 115.1(8) . 3_774 ?
C30 O93 Pr9 140.7(8) . . ?
Ni14 O93 Pr9 101.8(3) 3_774 . ?
Pr5 O94 Pr14 116.6(4) . . ?
C62 O95 Ni4 115.5(8) . . ?
C62 O95 Pr1 140.1(8) . . ?
Ni4 O95 Pr1 102.9(3) . . ?
C38 O96 Ni7 122.4(7) . 3_774 ?
Pr15 O97 Pr17 108.5(3) 3_774 3_774 ?
Pr15 O97 Pr21 105.6(3) 3_774 . ?
Pr17 O97 Pr21 105.1(3) 3_774 . ?
C69 O98 Ni11 108.9(9) . . ?
C69 O98 Pr12 133.6(9) . . ?
Ni11 O98 Pr12 98.1(3) . . ?
C1 O99 Ni5 124.4(8) . 3_774 ?
Ni19 O100 Pr14 101.9(4) . . ?
Ni19 O100 Pr21 113.4(4) . . ?
Pr14 O100 Pr21 108.6(3) . . ?
C19 O101 Ni3 117.5(7) . . ?
C19 O101 Pr7 142.2(7) . . ?
Ni3 O101 Pr7 99.1(3) . . ?
C72 O102 Ni13 125.8(8) . . ?
C7 O103 Ni6 115.0(9) . . ?
C7 O103 Pr17 140.0(9) . . ?
Ni6 O103 Pr17 99.3(4) . . ?
C3A O104 Pr11 142.0(9) . . ?
C3A O104 Pr20 93.5(8) . . ?
Pr11 O104 Pr20 104.5(4) . . ?
C50 O105 Ni6 127.5(9) . . ?
C50 O105 Pr21 118.7(8) . 3_774 ?
Ni6 O105 Pr21 101.8(4) . 3_774 ?
C27 O106 Ni8 120.5(9) . . ?
C8A O107 Ni11 123.0(8) . . ?
C26 O108 Ni12 123.6(9) . . ?
C4 O109 Ni15 115.5(8) . 3_774 ?
C4 O109 Pr10 139.6(8) . . ?
Ni15 O109 Pr10 104.3(3) 3_774 . ?
Ni18 O110 Pr17 106.3(3) . . ?
Ni18 O110 Pr16 107.8(3) . . ?
Pr17 O110 Pr16 113.4(3) . . ?
C56 O111 Pr18 134.2(9) . . ?
C16 O112 Ni14 122.5(9) . . ?
C56 O113 Ni9 113.7(8) . . ?
C56 O113 Pr8 141.2(8) . . ?
Ni9 O113 Pr8 104.9(3) . . ?
C59 O114 Ni13 113.7(8) . . ?
C59 O114 Pr10 140.0(8) . . ?
Ni13 O114 Pr10 103.0(4) . . ?
C74 O115 Ni17 117.4(9) . . ?
C74 O115 Pr16 143.0(9) . . ?
Ni17 O115 Pr16 99.4(3) . . ?
C27 O116 Ni18 113.3(8) . . ?
C27 O116 Pr16 143.5(8) . . ?
Ni18 O116 Pr16 101.7(3) . . ?
C52 O117 Pr13 123.9(8) . . ?
Pr19 O118 Pr21 105.4(3) . . ?
Pr19 O118 Pr14 108.3(3) . . ?
Pr21 O118 Pr14 106.1(3) . . ?
C14 O119 Ni19 127.4(9) . . ?
C44 O120 Ni17 122.7(9) . . ?
C44 O120 Na1 134.7(9) . 2_654 ?
Ni17 O120 Na1 90.9(3) . 2_654 ?
C76 O121 Ni17 106.0(9) . . ?
C76 O121 Pr11 133.8(8) . . ?
Ni17 O121 Pr11 99.7(3) . . ?
C3A O122 Pr6 147.3(8) . . ?
C3A O122 Pr20 100.4(7) . . ?
Pr6 O122 Pr20 111.7(3) . . ?
Pr8 O123 Pr11 104.8(4) . . ?
Pr8 O123 Pr13 139.7(4) . . ?
Pr11 O123 Pr13 108.1(3) . . ?
C6 O124 Ni6 109.0(10) . . ?
C10 O126 Ni6 125.3(9) . 3_774 ?
C76 O127 Pr20 124.7(9) . . ?
C202 O128 Pr4 136.8(9) . . ?
C7 O129 Ni18 123.7(9) . . ?
C36 O130 Ni16 124.9(9) . 3_774 ?
C42 O131 Ni3 123.8(8) . . ?
C58 O132 Ni16 122.9(9) . . ?
C78 O133 Ni19 116.5(8) . . ?
C78 O133 Pr14 142.2(9) . . ?
Ni19 O133 Pr14 100.1(4) . . ?
C74 O134 Ni18 123.4(10) . . ?
Pr18 O135 Pr20 102.6(4) . . ?
Pr18 O135 Pr11 107.7(4) . . ?
Pr20 O135 Pr11 108.2(4) . . ?
C4A O136 Pr18 101.4(8) . . ?
C4A O136 Pr8 146.4(8) . . ?
Pr18 O136 Pr8 111.9(3) . . ?
C8A O137 Pr20 87.5(9) . . ?
C47 O138 Ni12 122.5(9) . . ?
C69 O139 Pr18 126.8(9) . . ?
C4A O140 Pr18 93.3(8) . . ?
C4A O140 Pr12 131.6(9) . . ?
Pr18 O140 Pr12 102.9(4) . . ?
C2 N1 C3 115.4(10) . . ?
C2 N1 Ni15 107.9(8) . 3_774 ?
C3 N1 Ni15 108.0(8) . 3_774 ?
C2 N1 H1A 108.4 . . ?
C3 N1 H1A 108.4 . . ?
Ni15 N1 H1A 108.4 3_774 . ?
C13 N2 C15 115.3(13) . . ?
C13 N2 Ni16 107.5(9) . . ?
C15 N2 Ni16 108.0(9) . . ?
C13 N2 H4AA 108.6 . . ?
C15 N2 H4AA 108.6 . . ?
Ni16 N2 H4AA 108.6 . . ?
C11 N3 C9 116.3(12) . . ?
C11 N3 Ni12 103.5(8) . 3_774 ?
C9 N3 Ni12 107.4(8) . 3_774 ?
C11 N3 H3C 109.8 . . ?
C9 N3 H3C 109.8 . . ?
Ni12 N3 H3C 109.8 3_774 . ?
C8 N4 C5 118.4(11) . . ?
C8 N4 Ni6 108.5(9) . . ?
C5 N4 Ni6 106.3(9) . . ?
C8 N4 H4A 107.7 . . ?
C5 N4 H4A 107.7 . . ?
Ni6 N4 H4A 107.7 . . ?
C17 N5 C20 114.6(10) . . ?
C17 N5 Ni3 105.8(8) . . ?
C20 N5 Ni3 109.0(8) . . ?
C17 N5 H5C 109.1 . . ?
C20 N5 H5C 109.1 . . ?
Ni3 N5 H5C 109.1 . . ?
C23 N6 C21 112.2(11) . . ?
C23 N6 Ni5 108.0(8) . . ?
C21 N6 Ni5 106.1(9) . . ?
C23 N6 H6A 110.2 . . ?
C21 N6 H6A 110.2 . . ?
Ni5 N6 H6A 110.2 . . ?
C28 N7 C25 115.0(11) . . ?
C28 N7 Ni18 107.3(8) . . ?
C25 N7 Ni18 104.5(9) . . ?
C28 N7 H7A 110.0 . . ?
C25 N7 H7A 110.0 . . ?
Ni18 N7 H7A 110.0 . . ?
C31 N8 C29 116.2(11) . . ?
C31 N8 Ni14 107.2(9) . 3_774 ?
C29 N8 Ni14 107.2(8) . 3_774 ?
C31 N8 H8C 108.7 . . ?
C29 N8 H8C 108.7 . . ?
Ni14 N8 H8C 108.7 3_774 . ?
C35 N9 C33 112.1(11) . . ?
C35 N9 Ni10 106.9(9) . . ?
C33 N9 Ni10 107.1(8) . . ?
C35 N9 H9C 110.2 . . ?
C33 N9 H9C 110.2 . . ?
Ni10 N9 H9C 110.2 . . ?
C37 N10 C39 111.7(10) . . ?
C37 N10 Ni2 106.9(7) . . ?
C39 N10 Ni2 106.8(6) . . ?
C37 N10 H10A 110.4 . . ?
C39 N10 H10A 110.4 . . ?
Ni2 N10 H10A 110.4 . . ?
C43 N11 C41 115.0(10) . . ?
C43 N11 Ni8 108.6(8) . . ?
C41 N11 Ni8 105.5(8) . . ?
C43 N11 H11C 109.2 . . ?
C41 N11 H11C 109.2 . . ?
Ni8 N11 H11C 109.2 . . ?
C45 N12 C48 109.8(11) . . ?
C45 N12 Ni1 104.9(8) . . ?
C48 N12 Ni1 109.5(8) . . ?
C45 N12 H12A 110.8 . . ?
C48 N12 H12A 110.8 . . ?
Ni1 N12 H12A 110.8 . . ?
C51 N13 C49 110.8(11) . . ?
C51 N13 Pr21 118.6(8) . 3_774 ?
C49 N13 Pr21 106.3(8) . 3_774 ?
C51 N13 H13B 124.6 . . ?
C49 N13 H13B 124.6 . . ?
Pr21 N13 H13B 48.1 3_774 . ?
C53 N14 C55 113.8(10) . . ?
C53 N14 Ni9 108.7(8) . . ?
C55 N14 Ni9 105.4(7) . . ?
C53 N14 H14A 109.6 . . ?
C55 N14 H14A 109.6 . . ?
Ni9 N14 H14A 109.6 . . ?
C60 N15 C57 114.9(11) . . ?
C60 N15 Ni13 104.9(8) . . ?
C57 N15 Ni13 109.7(8) . . ?
C60 N15 H15C 109.1 . . ?
C57 N15 H15C 109.1 . . ?
Ni13 N15 H15C 109.1 . . ?
C61 N16 C64 114.5(9) . . ?
C61 N16 Ni4 106.4(7) . . ?
C64 N16 Ni4 107.2(7) . . ?
C61 N16 H16A 109.5 . . ?
C64 N16 H16A 109.5 . . ?
Ni4 N16 H16A 109.5 . . ?
C67 N17 C65 114.4(12) . . ?
C67 N17 Ni7 108.3(9) . . ?
C65 N17 Ni7 108.4(8) . . ?
C67 N17 H17C 108.5 . . ?
C65 N17 H17C 108.5 . . ?
Ni7 N17 H17C 108.5 . . ?
C71 N18 C70 113.2(11) . . ?
C71 N18 Ni11 107.7(8) . . ?
C70 N18 Ni11 104.8(8) . . ?
C71 N18 H18A 110.3 . . ?
C70 N18 H18A 110.3 . . ?
Ni11 N18 H18A 110.3 . . ?
C73 N19 C75 117.3(12) . . ?
C73 N19 Ni17 108.2(9) . . ?
C75 N19 Ni17 104.6(9) . . ?
C73 N19 H19A 108.8 . . ?
C75 N19 H19A 108.8 . . ?
Ni17 N19 H19A 108.8 . . ?
O96 C38 O70 124.1(10) . . ?
O96 C38 C37 120.5(10) . . ?
O70 C38 C37 115.4(10) . . ?
N10 C39 C40 112.5(9) . . ?
N10 C39 H39A 109.1 . . ?
C40 C39 H39A 109.1 . . ?
N10 C39 H39B 109.1 . . ?
C40 C39 H39B 109.1 . . ?
H39A C39 H39B 107.8 . . ?
O30 C40 O52 123.2(10) . . ?
O30 C40 C39 119.3(10) . . ?
O52 C40 C39 117.4(10) . . ?
C42 C41 N11 112.3(11) . . ?
C42 C41 H41A 109.1 . . ?
N11 C41 H41A 109.1 . . ?
C42 C41 H41B 109.1 . . ?
N11 C41 H41B 109.1 . . ?
H41A C41 H41B 107.9 . . ?
O131 C42 O21 126.2(11) . . ?
O131 C42 C41 117.6(11) . . ?
O21 C42 C41 115.9(10) . . ?
N11 C43 C44 114.4(11) . . ?
N11 C43 H43A 108.7 . . ?
C44 C43 H43A 108.7 . . ?
N11 C43 H43B 108.7 . . ?
C44 C43 H43B 108.7 . . ?
H43A C43 H43B 107.6 . . ?
O92 C44 O120 127.1(13) . . ?
O92 C44 C43 114.5(12) . . ?
O120 C44 C43 118.3(12) . . ?
N12 C45 C46 111.5(12) . . ?
N12 C45 H45A 109.3 . . ?
C46 C45 H45A 109.3 . . ?
N12 C45 H45B 109.3 . . ?
C46 C45 H45B 109.3 . . ?
H45A C45 H45B 108.0 . . ?
O73 C46 O69 125.7(11) . . ?
O73 C46 C45 115.2(12) . . ?
O69 C46 C45 119.0(11) . . ?
O138 C47 O58 127.9(12) . . ?
O138 C47 C48 116.1(11) . . ?
O58 C47 C48 115.7(10) . . ?
N12 C48 C47 113.1(11) . . ?
N12 C48 H48A 109.0 . . ?
C47 C48 H48A 109.0 . . ?
N12 C48 H48B 109.0 . . ?
C47 C48 H48B 109.0 . . ?
H48A C48 H48B 107.8 . . ?
C50 C49 N13 113.8(12) . . ?
C50 C49 H49A 108.8 . . ?
N13 C49 H49A 108.8 . . ?
C50 C49 H49B 108.8 . . ?
N13 C49 H49B 108.8 . . ?
H49A C49 H49B 107.7 . . ?
O125 C50 O105 120.2(12) . . ?
O125 C50 C49 122.2(13) . . ?
O105 C50 C49 117.6(12) . . ?
N13 C51 C52 112.4(11) . . ?
N13 C51 H51A 109.1 . . ?
C52 C51 H51A 109.1 . . ?
N13 C51 H51B 109.1 . . ?
C52 C51 H51B 109.1 . . ?
H51A C51 H51B 107.8 . . ?
O117 C52 O85 121.1(11) . . ?
O117 C52 C51 122.2(11) . . ?
O85 C52 C51 116.3(10) . . ?
N14 C53 C54 111.4(11) . . ?
N14 C53 H53A 109.3 . . ?
C54 C53 H53A 109.3 . . ?
N14 C53 H53B 109.3 . . ?
C54 C53 H53B 109.3 . . ?
H53A C53 H53B 108.0 . . ?
O44 C54 O79 124.9(11) . . ?
O44 C54 C53 119.4(11) . . ?
O79 C54 C53 115.6(11) . . ?
O10 C1A O87 121.0(10) . . ?
O10 C1A O16 117.9(10) . . ?
O87 C1A O16 121.1(10) . . ?
O10 C1A Pr15 58.9(5) . . ?
O87 C1A Pr15 178.7(9) . . ?
O16 C1A Pr15 59.0(5) . . ?
O34 C2A O4 119.9(10) . . ?
O34 C2A O27 116.6(9) . . ?
O4 C2A O27 123.5(10) . . ?
O34 C2A Pr19 58.9(5) . 3_774 ?
O4 C2A Pr19 61.0(5) . 3_774 ?
O27 C2A Pr19 175.0(8) . 3_774 ?
O53 C3A O104 120.3(11) . . ?
O53 C3A O122 124.2(11) . . ?
O104 C3A O122 115.4(12) . . ?
O53 C3A Pr20 173.9(8) . . ?
O104 C3A Pr20 61.1(7) . . ?
O122 C3A Pr20 54.4(6) . . ?
O35 C4A O136 123.5(11) . . ?
O35 C4A O140 122.6(11) . . ?
O136 C4A O140 113.6(11) . . ?
O35 C4A Pr18 174.8(8) . . ?
O136 C4A Pr18 53.7(6) . . ?
O140 C4A Pr18 60.7(7) . . ?
O29 C5A O20 124.3(10) . . ?
O29 C5A O45 116.3(9) . . ?
O20 C5A O45 119.3(9) . . ?
O9 C6A O13 124.5(9) . . ?
O9 C6A O51 120.2(9) . . ?
O13 C6A O51 115.4(8) . . ?
O56 C7A O26 121.6(9) . . ?
O56 C7A O17 116.5(8) . . ?
O26 C7A O17 121.6(9) . . ?
O107 C8A O137 109.2(11) . . ?
O107 C8A O1H 126.0(11) . . ?
O137 C8A O1H 124.7(12) . . ?
O107 C8A Pr20 163.9(12) . . ?
O137 C8A Pr20 64.1(8) . . ?
O1H C8A Pr20 61.8(7) . . ?
O102 C72 O63 125.4(11) . . ?
O102 C72 C71 120.4(11) . . ?
O63 C72 C71 114.2(10) . . ?
N19 C73 C74 115.7(12) . . ?
N19 C73 H73A 108.4 . . ?
C74 C73 H73A 108.4 . . ?
N19 C73 H73B 108.4 . . ?
C74 C73 H73B 108.4 . . ?
H73A C73 H73B 107.4 . . ?
O134 C74 O115 127.0(14) . . ?
O134 C74 C73 116.6(13) . . ?
O115 C74 C73 116.4(12) . . ?
N19 C75 C76 111.5(13) . . ?
N19 C75 H75A 109.3 . . ?
C76 C75 H75A 109.3 . . ?
N19 C75 H75B 109.3 . . ?
C76 C75 H75B 109.3 . . ?
H75A C75 H75B 108.0 . . ?
O127 C76 O121 124.9(14) . . ?
O127 C76 C75 115.2(13) . . ?
O121 C76 C75 119.8(13) . . ?
C56 C55 N14 113.3(11) . . ?
C56 C55 H55A 108.9 . . ?
N14 C55 H55A 108.9 . . ?
C56 C55 H55B 108.9 . . ?
N14 C55 H55B 108.9 . . ?
H55A C55 H55B 107.7 . . ?
O113 C56 O111 125.7(12) . . ?
O113 C56 C55 118.1(12) . . ?
O111 C56 C55 116.1(12) . . ?
N15 C57 C58 110.9(11) . . ?
N15 C57 H57A 109.5 . . ?
C58 C57 H57A 109.5 . . ?
N15 C57 H57B 109.5 . . ?
C58 C57 H57B 109.5 . . ?
H57A C57 H57B 108.1 . . ?
O91 C58 O132 124.9(13) . . ?
O91 C58 C57 118.1(12) . . ?
O132 C58 C57 116.7(12) . . ?
O75 C59 O114 125.8(12) . . ?
O75 C59 C60 118.6(12) . . ?
O114 C59 C60 115.4(11) . . ?
N15 C60 C59 113.2(12) . . ?
N15 C60 H60A 108.9 . . ?
C59 C60 H60A 108.9 . . ?
N15 C60 H60B 108.9 . . ?
C59 C60 H60B 108.9 . . ?
H60A C60 H60B 107.8 . . ?
N16 C61 C62 111.4(9) . . ?
N16 C61 H61A 109.3 . . ?
C62 C61 H61A 109.3 . . ?
N16 C61 H61B 109.3 . . ?
C62 C61 H61B 109.3 . . ?
H61A C61 H61B 108.0 . . ?
O95 C62 O23 126.5(11) . . ?
O95 C62 C61 115.1(11) . . ?
O23 C62 C61 118.4(9) . . ?
O86 C63 O67 126.0(11) . . ?
O86 C63 C64 117.3(10) . . ?
O67 C63 C64 116.4(10) . . ?
N16 C64 C63 110.4(9) . . ?
N16 C64 H64A 109.6 . . ?
C63 C64 H64A 109.6 . . ?
N16 C64 H64B 109.6 . . ?
C63 C64 H64B 109.6 . . ?
H64A C64 H64B 108.1 . . ?
N17 C65 C66 111.7(12) . . ?
N17 C65 H65A 109.3 . . ?
C66 C65 H65A 109.3 . . ?
N17 C65 H65B 109.3 . . ?
C66 C65 H65B 109.3 . . ?
H65A C65 H65B 107.9 . . ?
O33 C66 O3 127.0(10) . . ?
O33 C66 C65 121.2(11) . . ?
O3 C66 C65 111.8(10) . . ?
N17 C67 C68 115.1(12) . . ?
N17 C67 H67A 108.5 . . ?
C68 C67 H67A 108.5 . . ?
N17 C67 H67B 108.5 . . ?
C68 C67 H67B 108.5 . . ?
H67A C67 H67B 107.5 . . ?
O62 C68 O6 124.4(10) . . ?
O62 C68 C67 120.3(12) . . ?
O6 C68 C67 115.0(11) . . ?
O98 C69 O139 126.7(14) . . ?
O98 C69 C70 119.1(13) . . ?
O139 C69 C70 114.1(13) . . ?
N18 C70 C69 111.1(12) . . ?
N18 C70 H70A 109.4 . . ?
C69 C70 H70A 109.4 . . ?
N18 C70 H70B 109.4 . . ?
C69 C70 H70B 109.4 . . ?
H70A C70 H70B 108.0 . . ?
N18 C71 C72 117.6(11) . . ?
N18 C71 H71A 107.9 . . ?
C72 C71 H71A 107.9 . . ?
N18 C71 H71B 107.9 . . ?
C72 C71 H71B 107.9 . . ?
H71A C71 H71B 107.2 . . ?
O99 C1 O43 124.6(11) . . ?
O99 C1 C2 119.3(11) . . ?
O43 C1 C2 115.9(10) . . ?
N1 C2 C1 110.0(11) . . ?
N1 C2 H2A 109.7 . . ?
C1 C2 H2A 109.7 . . ?
N1 C2 H2B 109.7 . . ?
C1 C2 H2B 109.7 . . ?
H2A C2 H2B 108.2 . . ?
C4 C3 N1 115.7(11) . . ?
C4 C3 H3A 108.4 . . ?
N1 C3 H3A 108.4 . . ?
C4 C3 H3B 108.4 . . ?
N1 C3 H3B 108.4 . . ?
H3A C3 H3B 107.4 . . ?
O46 C4 O109 123.8(11) . . ?
O46 C4 C3 121.4(10) . . ?
O109 C4 C3 114.8(11) . . ?
N4 C5 C6 109.6(12) . . ?
N4 C5 H5A 109.8 . . ?
C6 C5 H5A 109.8 . . ?
N4 C5 H5B 109.8 . . ?
C6 C5 H5B 109.8 . . ?
H5A C5 H5B 108.2 . . ?
O1 C6 O124 122.6(15) . . ?
O1 C6 C5 117.0(13) . . ?
O124 C6 C5 120.5(14) . . ?
O103 C7 O129 125.5(13) . . ?
O103 C7 C8 115.6(13) . . ?
O129 C7 C8 118.4(13) . . ?
N4 C8 C7 113.0(12) . . ?
N4 C8 H8A 109.0 . . ?
C7 C8 H8A 109.0 . . ?
N4 C8 H8B 109.0 . . ?
C7 C8 H8B 109.0 . . ?
H8A C8 H8B 107.8 . . ?
N3 C9 C10 115.7(12) . . ?
N3 C9 H9A 108.3 . . ?
C10 C9 H9A 108.3 . . ?
N3 C9 H9B 108.3 . . ?
C10 C9 H9B 108.3 . . ?
H9A C9 H9B 107.4 . . ?
O126 C10 O89 124.1(13) . . ?
O126 C10 C9 119.2(13) . . ?
O89 C10 C9 116.3(13) . . ?
N3 C11 C12 114.9(12) . . ?
N3 C11 H11A 108.6 . . ?
C12 C11 H11A 108.6 . . ?
N3 C11 H11B 108.6 . . ?
C12 C11 H11B 108.6 . . ?
H11A C11 H11B 107.5 . . ?
O80 C12 O49 121.3(11) . . ?
O80 C12 C11 122.3(12) . . ?
O49 C12 C11 115.9(11) . . ?
N2 C13 C14 117.3(13) . . ?
N2 C13 H13A 108.0 . . ?
C14 C13 H13A 108.0 . . ?
N2 C13 H13C 108.0 . . ?
C14 C13 H13C 108.0 . . ?
H13A C13 H13C 107.2 . . ?
O119 C14 O48 125.3(13) . . ?
O119 C14 C13 120.2(13) . . ?
O48 C14 C13 114.4(12) . . ?
N2 C15 C16 115.5(13) . . ?
N2 C15 H15A 108.4 . . ?
C16 C15 H15A 108.4 . . ?
N2 C15 H15B 108.4 . . ?
C16 C15 H15B 108.4 . . ?
H15A C15 H15B 107.5 . . ?
O112 C16 O66 124.0(12) . . ?
O112 C16 C15 118.3(13) . . ?
O66 C16 C15 117.1(13) . . ?
N5 C17 C18 114.9(10) . . ?
N5 C17 H17A 108.5 . . ?
C18 C17 H17A 108.5 . . ?
N5 C17 H17B 108.5 . . ?
C18 C17 H17B 108.5 . . ?
H17A C17 H17B 107.5 . . ?
O15 C18 O64 125.8(10) . . ?
O15 C18 C17 115.3(10) . . ?
O64 C18 C17 118.9(10) . . ?
O41 C19 O101 124.4(11) . . ?
O41 C19 C20 121.2(11) . . ?
O101 C19 C20 114.3(10) . . ?
N5 C20 C19 115.6(10) . . ?
N5 C20 H20A 108.4 . . ?
C19 C20 H20A 108.4 . . ?
N5 C20 H20B 108.4 . . ?
C19 C20 H20B 108.4 . . ?
H20A C20 H20B 107.4 . . ?
N6 C21 C22 116.2(13) . . ?
N6 C21 H21A 108.2 . . ?
C22 C21 H21A 108.2 . . ?
N6 C21 H21B 108.2 . . ?
C22 C21 H21B 108.2 . . ?
H21A C21 H21B 107.4 . . ?
O82 C22 O81 126.3(11) . . ?
O82 C22 C21 116.0(11) . . ?
O81 C22 C21 117.5(12) . . ?
N6 C23 C24 115.1(12) . . ?
N6 C23 H23A 108.5 . . ?
C24 C23 H23A 108.5 . . ?
N6 C23 H23B 108.5 . . ?
C24 C23 H23B 108.5 . . ?
H23A C23 H23B 107.5 . . ?
O68 C24 O57 123.3(10) . . ?
O68 C24 C23 119.4(11) . . ?
O57 C24 C23 117.3(11) . . ?
C26 C25 N7 114.2(11) . . ?
C26 C25 H25A 108.7 . . ?
N7 C25 H25A 108.7 . . ?
C26 C25 H25B 108.7 . . ?
N7 C25 H25B 108.7 . . ?
H25A C25 H25B 107.6 . . ?
O108 C26 O71 123.5(12) . . ?
O108 C26 C25 120.9(12) . . ?
O71 C26 C25 115.6(12) . . ?
O106 C27 O116 125.1(12) . . ?
O106 C27 C28 117.1(12) . . ?
O116 C27 C28 117.8(12) . . ?
N7 C28 C27 112.7(11) . . ?
N7 C28 H28A 109.1 . . ?
C27 C28 H28A 109.1 . . ?
N7 C28 H28B 109.1 . . ?
C27 C28 H28B 109.1 . . ?
H28A C28 H28B 107.8 . . ?
N8 C29 C30 111.2(11) . . ?
N8 C29 H29A 109.4 . . ?
C30 C29 H29A 109.4 . . ?
N8 C29 H29B 109.4 . . ?
C30 C29 H29B 109.4 . . ?
H29A C29 H29B 108.0 . . ?
O72 C30 O93 125.2(12) . . ?
O72 C30 C29 114.7(11) . . ?
O93 C30 C29 120.0(11) . . ?
N8 C31 C32 116.6(12) . . ?
N8 C31 H31A 108.1 . . ?
C32 C31 H31A 108.1 . . ?
N8 C31 H31B 108.1 . . ?
C32 C31 H31B 108.1 . . ?
H31A C31 H31B 107.3 . . ?
O84 C32 O76 127.1(12) . . ?
O84 C32 C31 119.2(12) . . ?
O76 C32 C31 113.5(11) . . ?
N9 C33 C34 110.6(12) . . ?
N9 C33 H33A 109.5 . . ?
C34 C33 H33A 109.5 . . ?
N9 C33 H33B 109.5 . . ?
C34 C33 H33B 109.5 . . ?
H33A C33 H33B 108.1 . . ?
O60 C34 O55 125.9(12) . . ?
O60 C34 C33 119.1(11) . . ?
O55 C34 C33 114.6(11) . . ?
N9 C35 C36 113.9(12) . . ?
N9 C35 H35A 108.8 . . ?
C36 C35 H35A 108.8 . . ?
N9 C35 H35B 108.8 . . ?
C36 C35 H35B 108.8 . . ?
H35A C35 H35B 107.7 . . ?
O130 C36 O83 121.8(13) . . ?
O130 C36 C35 123.0(12) . . ?
O83 C36 C35 115.1(11) . . ?
N10 C37 C38 113.6(10) . . ?
N10 C37 H37A 108.9 . . ?
C38 C37 H37A 108.9 . . ?
N10 C37 H37B 108.9 . . ?
C38 C37 H37B 108.9 . . ?
H37A C37 H37B 107.7 . . ?
O128 C202 O141 130.1(12) . . ?
O128 C202 C201 115.8(12) . . ?
O141 C202 C201 113.4(12) . . ?
C202 C201 H20D 109.5 . . ?
C202 C201 H20E 109.5 . . ?
H20D C201 H20E 109.5 . . ?
C202 C201 H20F 109.5 . . ?
H20D C201 H20F 109.5 . . ?
H20E C201 H20F 109.5 . . ?
C8A O1H Pr20 89.1(8) . . ?
C8A O1H Pr12 125.3(10) . . ?
Pr20 O1H Pr12 103.3(4) . . ?
C8A O1H Pr18 130.4(10) . . ?
Pr20 O1H Pr18 96.7(4) . . ?
Pr12 O1H Pr18 101.2(3) . . ?
C77 N20 Ni19 111.1(11) . . ?
C77 N20 H20G 109.4 . . ?
Ni19 N20 H20G 109.4 . . ?
C77 N20 H20H 109.4 . . ?
Ni19 N20 H20H 109.4 . . ?
H20G N20 H20H 108.0 . . ?
N20 C77 C78 114.3(16) . . ?
N20 C77 H77A 108.7 . . ?
C78 C77 H77A 108.7 . . ?
N20 C77 H77B 108.7 . . ?
C78 C77 H77B 108.7 . . ?
H77A C77 H77B 107.6 . . ?
O38 C78 O133 124.7(13) . . ?
O38 C78 C77 118.8(13) . . ?
O133 C78 C77 115.7(13) . . ?
Ni17 O24W Na1 93.4(4) . 2_654 ?
O142 C204 C203 110.0(18) . . ?
O142 C204 H20C 109.7 . . ?
C203 C204 H20C 109.7 . . ?
O142 C204 H20I 109.7 . . ?
C203 C204 H20I 109.7 . . ?
H20C C204 H20I 108.2 . . ?
C204 C203 H20J 109.5 . . ?
C204 C203 H20K 109.5 . . ?
H20J C203 H20K 109.5 . . ?
C204 C203 H20L 109.5 . . ?
H20J C203 H20L 109.5 . . ?
H20K C203 H20L 109.5 . . ?

_refine_diff_density_max         4.057
_refine_diff_density_min         -2.240
_refine_diff_density_rms         0.411

