# Electronic Supplementary Material (ESI) for Chemical Science.
# This journal is © The Royal Society of Chemistry 2020

####################################################################### 
# 
# 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_a_a_tw
_database_code_depnum_ccdc_archive 'CCDC 1974305'
loop_
_audit_author_name
_audit_author_address
'Wei Yang'
;Soochow university
China
;
_audit_update_record             
;
2019-12-27 deposited with the CCDC.	2020-04-20 downloaded from the CCDC.
;
# start Validation Reply Form
_vrf_PLAT308_a_a_tw              
;
PROBLEM: Single Bonded Metal Atom in Structure  (Unusual)       Dy1B Check
RESPONSE: The Dy1B atom is not actually single bonded in structure
;
# Added during the CSD deposition process: Friday 27 December 2019 11:27 AM
# end Validation Reply Form

_audit_creation_date             2018-11-23
_audit_creation_method           
;
Olex2 1.2
(compiled 2017.08.10 svn.r3458 for OlexSys, GUI svn.r5381)
;
_shelx_SHELXL_version_number     2018/1
_chemical_name_common            ?
_chemical_name_systematic        Dy2O@Cs(10528)-C72
_chemical_formula_moiety         'C72, Dy2 O, C36 H44 N4 Ni, 2(C6 H6)'
_chemical_formula_sum            'C120 H56 Dy2 N4 Ni O'
_chemical_formula_weight         1953.39
_chemical_melting_point          ?
loop_
_atom_type_symbol
_atom_type_description
_atom_type_scat_dispersion_real
_atom_type_scat_dispersion_imag
_atom_type_scat_source
C C 0.0181 0.0091 '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'
Dy Dy -9.8046 9.8477 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
N N 0.0311 0.0180 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Ni Ni -3.0029 0.5091 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
O O 0.0492 0.0322 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'

_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.
;
_space_group_crystal_system      triclinic
_space_group_IT_number           2
_space_group_name_H-M_alt        'P -1'
_space_group_name_Hall           '-P 1'
loop_
_space_group_symop_operation_xyz
'x, y, z'
'-x, -y, -z'

_cell_length_a                   14.3857(7)
_cell_length_b                   14.7255(6)
_cell_length_c                   19.1301(9)
_cell_angle_alpha                84.837(2)
_cell_angle_beta                 88.064(2)
_cell_angle_gamma                61.889(2)
_cell_volume                     3559.7(3)
_cell_formula_units_Z            2
_cell_measurement_reflns_used    9085
_cell_measurement_temperature    120(2)
_cell_measurement_theta_max      68.429
_cell_measurement_theta_min      2.319
_shelx_estimated_absorpt_T_max   0.382
_shelx_estimated_absorpt_T_min   0.268
_exptl_absorpt_coefficient_mu    11.910
_exptl_absorpt_correction_T_max  0.304
_exptl_absorpt_correction_T_min  0.225
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   
;
SADABS-2016/2 (Bruker,2016/2) was used for absorption correction.
wR2(int) was 0.1082 before and 0.0670 after correction.
The Ratio of minimum to maximum transmission is 0.3039.
The λ/2 correction factor is Not present.
;
_exptl_absorpt_special_details   ?
_exptl_crystal_colour            'clear dark black'
_exptl_crystal_colour_lustre     clear
_exptl_crystal_colour_modifier   dark
_exptl_crystal_colour_primary    black
_exptl_crystal_density_diffrn    1.822
_exptl_crystal_density_meas      ?
_exptl_crystal_density_method    ?
_exptl_crystal_description       block
_exptl_crystal_F_000             1944
_exptl_crystal_size_max          0.15
_exptl_crystal_size_mid          0.12
_exptl_crystal_size_min          0.1
_exptl_transmission_factor_max   ?
_exptl_transmission_factor_min   ?
_diffrn_reflns_av_R_equivalents  ?
_diffrn_reflns_av_unetI/netI     0.0254
_diffrn_reflns_Laue_measured_fraction_full 0.995
_diffrn_reflns_Laue_measured_fraction_max 0.993
_diffrn_reflns_limit_h_max       17
_diffrn_reflns_limit_h_min       -17
_diffrn_reflns_limit_k_max       17
_diffrn_reflns_limit_k_min       -17
_diffrn_reflns_limit_l_max       23
_diffrn_reflns_limit_l_min       -23
_diffrn_reflns_number            12960
_diffrn_reflns_point_group_measured_fraction_full 0.995
_diffrn_reflns_point_group_measured_fraction_max 0.993
_diffrn_reflns_theta_full        67.679
_diffrn_reflns_theta_max         68.429
_diffrn_reflns_theta_min         2.319
_diffrn_ambient_temperature      119.98
_diffrn_detector_area_resol_mean ?
_diffrn_measured_fraction_theta_full 0.995
_diffrn_measured_fraction_theta_max 0.993
_diffrn_measurement_device_type  'Bruker APEX-II CCD'
_diffrn_measurement_method       'φ and ω scans'
_diffrn_radiation_type           CuK\a
_diffrn_radiation_wavelength     1.54178
_diffrn_source                   ?
_diffrn_standards_number         0
_reflns_Friedel_coverage         0.000
_reflns_Friedel_fraction_full    .
_reflns_Friedel_fraction_max     .
_reflns_number_gt                11767
_reflns_number_total             12960
_reflns_special_details          
;
 _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.
;
_reflns_threshold_expression     'I > 2σ(I)'
_computing_cell_refinement       'SAINT V8.38A (?, 2016)'
_computing_data_collection       ?
_computing_data_reduction        'SAINT V8.38A (?, 2016)'
_computing_molecular_graphics    'Olex2 (Dolomanov et al., 2009)'
_computing_publication_material  'Olex2 (Dolomanov et al., 2009)'
_computing_structure_refinement  'ShelXL (Sheldrick, 2015)'
_computing_structure_solution    ?
_refine_diff_density_max         1.992
_refine_diff_density_min         -1.070
_refine_diff_density_rms         0.185
_refine_ls_extinction_coef       .
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.049
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     1198
_refine_ls_number_reflns         12960
_refine_ls_number_restraints     963
_refine_ls_R_factor_all          0.1011
_refine_ls_R_factor_gt           0.0953
_refine_ls_restrained_S_all      1.072
_refine_ls_shift/su_max          0.000
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details     
'w=1/[σ²(Fo²)+(0.1500P)²+20.0000P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.2726
_refine_ls_wR_factor_ref         0.2800
_refine_special_details          
;
 Refined as a 2-component twin.
;
_olex2_refinement_description    
;
1. Twinned data refinement
 Scales: 0.686(5)
 0.314(5)
2. Fixed Uiso
 At 1.2 times of:
  All C(H) groups, All C(H,H) groups
 At 1.5 times of:
  All C(H,H,H) groups
3. Restrained distances
 C23-C22
 1.38 with sigma of 0.02
 C1-C2 \\sim C2-C3 \\sim C3-C4 \\sim C4-C5 \\sim C5-C1
 with sigma of 0.02
 C1-C3 \\sim C1-C4 \\sim C2-C4 \\sim C2-C5 \\sim C3-C5
 with sigma of 0.02
 C1-C5 \\sim C5-C6 \\sim C6-C7 \\sim C7-C8 \\sim C8-C1
 with sigma of 0.02
 C1-C6 \\sim C1-C7 \\sim C5-C7 \\sim C5-C8 \\sim C6-C8
 with sigma of 0.02
 C25-C26 \\sim C26-C10 \\sim C10-C9 \\sim C9-C24 \\sim C24-C25
 with sigma of 0.02
 C25-C10 \\sim C25-C9 \\sim C26-C9 \\sim C26-C24 \\sim C10-C24
 with sigma of 0.02
 C15-C32 \\sim C32-C33 \\sim C33-C34 \\sim C34-C16 \\sim C16-C15
 with sigma of 0.02
 C15-C33 \\sim C15-C34 \\sim C32-C34 \\sim C32-C16 \\sim C33-C16
 with sigma of 0.02
 C20-C38 \\sim C38-C39 \\sim C39-C40 \\sim C40-C21 \\sim C21-C20
 with sigma of 0.02
 C20-C39 \\sim C20-C40 \\sim C38-C40 \\sim C38-C21 \\sim C39-C21
 with sigma of 0.02
 C42-C41 \\sim C41-C59 \\sim C59-C60 \\sim C60-C43 \\sim C43-C42
 with sigma of 0.02
 C42-C59 \\sim C42-C60 \\sim C41-C60 \\sim C41-C43 \\sim C59-C43
 with sigma of 0.02
 C46-C45 \\sim C45-C62 \\sim C62-C63 \\sim C63-C47 \\sim C47-C46
 with sigma of 0.02
 C46-C62 \\sim C46-C63 \\sim C45-C63 \\sim C45-C47 \\sim C62-C47
 with sigma of 0.02
 C70-C58 \\sim C58-C57 \\sim C57-C56 \\sim C56-C69 \\sim C69-C70
 with sigma of 0.02
 C70-C57 \\sim C70-C56 \\sim C58-C56 \\sim C58-C69 \\sim C57-C69
 with sigma of 0.02
 C55-C37 \\sim C37-C36 \\sim C36-C35 \\sim C35-C54 \\sim C54-C55
 with sigma of 0.02
 C55-C36 \\sim C55-C35 \\sim C37-C35 \\sim C37-C54 \\sim C36-C54
 with sigma of 0.02
 C13-C12 \\sim C12-C28 \\sim C28-C29 \\sim C29-C30 \\sim C30-C13
 with sigma of 0.02
 C13-C28 \\sim C13-C29 \\sim C12-C29 \\sim C12-C30 \\sim C28-C30
 with sigma of 0.02
 C65-C64 \\sim C64-C72 \\sim C72-C67 \\sim C67-C66 \\sim C66-C65
 with sigma of 0.02
 C65-C72 \\sim C65-C67 \\sim C64-C67 \\sim C64-C66 \\sim C72-C66
 with sigma of 0.02
 C65-C66 \\sim C66-C51 \\sim C51-C50 \\sim C50-C49 \\sim C49-C65
 with sigma of 0.02
 C65-C51 \\sim C65-C50 \\sim C66-C50 \\sim C66-C49 \\sim C51-C49
 with sigma of 0.02
4. Restrained planarity
 C9, C10, C24, C25, C26
 with sigma of 0.1
 C15, C16, C32, C33, C34
 with sigma of 0.1
 C20, C21, C38, C39, C40
 with sigma of 0.1
 C41, C42, C43, C59, C60
 with sigma of 0.1
 C45, C46, C47, C62, C63
 with sigma of 0.1
 C56, C57, C58, C69, C70
 with sigma of 0.1
 C35, C36, C37, C54, C55
 with sigma of 0.1
 C12, C13, C28, C29, C30
 with sigma of 0.1
 C1, C2, C3, C4, C5
 with sigma of 0.1
 C1, C5, C6, C7, C8
 with sigma of 0.1
 C64, C65, C66, C67, C72
 with sigma of 0.1
 C49, C50, C51, C65, C66
 with sigma of 0.1
5. Uiso/Uaniso restraints and constraints
C1 \\sim C2 \\sim C3 \\sim C4 \\sim C5 \\sim C6 \\sim C7 \\sim C8 \\sim C9
\\sim C10 \\sim C11 \\sim C12 \\sim C13 \\sim C14 \\sim C15 \\sim C16 \\sim C17
\\sim C18 \\sim C19 \\sim C20 \\sim C21 \\sim C22 \\sim C23 \\sim C24 \\sim C25
\\sim C26 \\sim C27 \\sim C28 \\sim C29 \\sim C30 \\sim C31 \\sim C32 \\sim C33
\\sim C34 \\sim C35 \\sim C36 \\sim C37 \\sim C38 \\sim C39 \\sim C40 \\sim C41
\\sim C42 \\sim C43 \\sim C44 \\sim C45 \\sim C46 \\sim C47 \\sim C48 \\sim C49
\\sim C50 \\sim C51 \\sim C52 \\sim C53 \\sim C54 \\sim C55 \\sim C56 \\sim C57
\\sim C58 \\sim C59 \\sim C60 \\sim C61 \\sim C62 \\sim C63 \\sim C64 \\sim C65
\\sim C66 \\sim C67 \\sim C68 \\sim C69 \\sim C70 \\sim C71 \\sim C72: within
2A with sigma of 0.008 and sigma for terminal atoms of 0.016
Dy1B \\sim Dy2B \\sim Dy3B: within 2A with sigma of 0.01 and sigma for terminal
atoms of 0.02
6. Others
 Fixed Sof: Dy1A(0.6) Dy1B(0.75) Dy2A(0.3) Dy2B(0.2) Dy3A(0.1) Dy3B(0.05)
7.a Secondary CH2 refined with riding coordinates:
 C3P(H3PA,H3PB), C6P(H6PA,H6PB), C12P(H12A,H12B), C15P(H15A,H15B), C21P(H21A,
 H21B), C24P(H24A,H24B), C30P(H30A,H30B), C33P(H33A,H33B)
7.b Aromatic/amide H refined with riding coordinates:
 C9P(H9P), C18P(H18P), C27P(H27P), C36P(H36P), C1S(H1S), C2S(H2S), C3S(H3S),
 C4S(H4S), C5S(H5S), C6S(H6S), C7S(H7S), C8S(H8S), C9S(H9S), C10S(H10S),
 C11S(H11S), C12S(H12S)
7.c Idealised Me refined as rotating group:
 C4P(H4PA,H4PB,H4PC), C7P(H7PA,H7PB,H7PC), C13P(H13A,H13B,H13C), C16P(H16A,
 H16B,H16C), C22P(H22A,H22B,H22C), C25P(H25A,H25B,H25C), C31P(H31A,H31B,H31C),
 C34P(H34A,H34B,H34C)
;
_atom_sites_solution_hydrogens   geom
_atom_sites_solution_primary     ?
_atom_sites_solution_secondary   ?
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
C1 C 0.4690(10) 0.9544(11) 0.9017(6) 0.110(3) Uani 1 1 d D U . A 1
C2 C 0.4516(11) 0.8673(11) 0.9187(6) 0.106(3) Uani 1 1 d D U . A 1
C3 C 0.4171(11) 0.8451(11) 0.8549(7) 0.099(3) Uani 1 1 d D U . A 1
C4 C 0.4203(12) 0.9162(11) 0.7998(7) 0.102(3) Uani 1 1 d D U . A 1
C5 C 0.4482(10) 0.9854(10) 0.8292(7) 0.108(3) Uani 1 1 d D U . A 1
C6 C 0.5288(11) 1.0106(10) 0.8018(7) 0.102(3) Uani 1 1 d D U . A 1
C7 C 0.5965(11) 0.9964(11) 0.8582(7) 0.100(3) Uani 1 1 d D U . A 1
C8 C 0.5612(12) 0.9622(12) 0.9204(7) 0.105(3) Uani 1 1 d D U . A 1
C9 C 0.6311(10) 0.8799(9) 0.9656(7) 0.094(3) Uani 1 1 d D U . A 1
C10 C 0.6134(10) 0.7950(11) 0.9910(7) 0.099(3) Uani 1 1 d D U . A 1
C11 C 0.5170(13) 0.7893(14) 0.9608(8) 0.099(3) Uani 1 1 d . U . A 1
C12 C 0.5408(10) 0.6854(10) 0.9545(6) 0.097(3) Uani 1 1 d D U . A 1
C13 C 0.4949(9) 0.6622(10) 0.8959(7) 0.093(3) Uani 1 1 d D U . A 1
C14 C 0.4371(11) 0.7486(14) 0.8452(9) 0.095(3) Uani 1 1 d . U . A 1
C15 C 0.4526(8) 0.7179(10) 0.7726(6) 0.088(2) Uani 1 1 d D U . A 1
C16 C 0.4601(8) 0.7864(9) 0.7140(6) 0.085(2) Uani 1 1 d D U . A 1
C17 C 0.4522(12) 0.8905(14) 0.7306(9) 0.103(3) Uani 1 1 d . U . A 1
C18 C 0.5219(13) 0.9199(13) 0.6945(9) 0.101(3) Uani 1 1 d . U . A 1
C19 C 0.5600(13) 0.9814(10) 0.7303(8) 0.087(3) Uani 1 1 d . U . A 1
C20 C 0.6680(10) 0.9640(9) 0.7161(7) 0.098(3) Uani 1 1 d D U . A 1
C21 C 0.7398(10) 0.9523(9) 0.7718(6) 0.088(2) Uani 1 1 d D U . A 1
C22 C 0.7075(13) 0.9582(11) 0.8432(9) 0.094(3) Uani 1 1 d D U . A 1
C23 C 0.7795(12) 0.8837(11) 0.8983(8) 0.087(2) Uani 1 1 d D U . A 1
C24 C 0.7439(10) 0.8407(10) 0.9568(6) 0.089(3) Uani 1 1 d D U . A 1
C25 C 0.7951(9) 0.7324(10) 0.9791(7) 0.088(3) Uani 1 1 d D U . A 1
C26 C 0.7118(11) 0.7048(10) 1.0012(6) 0.094(3) Uani 1 1 d D U . A 1
C27 C 0.7355(14) 0.6070(13) 0.9933(7) 0.094(3) Uani 1 1 d . U . A 1
C28 C 0.6376(10) 0.5962(10) 0.9733(6) 0.086(3) Uani 1 1 d D U . A 1
C29 C 0.6525(10) 0.5171(9) 0.9290(7) 0.098(3) Uani 1 1 d D U . A 1
C30 C 0.5660(10) 0.5580(10) 0.8814(6) 0.089(2) Uani 1 1 d D U . A 1
C31 C 0.5785(12) 0.5303(12) 0.8076(8) 0.088(2) Uani 1 1 d . U . A 1
C32 C 0.5252(9) 0.6099(9) 0.7585(6) 0.083(2) Uani 1 1 d D U . A 1
C33 C 0.5798(9) 0.6113(9) 0.6907(6) 0.081(2) Uani 1 1 d D U . A 1
C34 C 0.5368(9) 0.7204(9) 0.6635(6) 0.082(2) Uani 1 1 d D U . A 1
C35 C 0.5895(9) 0.7580(9) 0.6269(6) 0.078(2) Uani 1 1 d D U . A 1
C36 C 0.5796(9) 0.8596(9) 0.6380(6) 0.089(3) Uani 1 1 d D U . A 1
C37 C 0.6852(10) 0.8537(9) 0.6251(6) 0.088(3) Uani 1 1 d D U . A 1
C38 C 0.7280(11) 0.9027(10) 0.6621(6) 0.102(3) Uani 1 1 d D U . A 1
C39 C 0.8368(10) 0.8514(10) 0.6821(7) 0.093(3) Uani 1 1 d D U . A 1
C40 C 0.8438(10) 0.8828(11) 0.7509(7) 0.095(3) Uani 1 1 d D U . A 1
C41 C 0.9078(9) 0.8161(9) 0.7973(6) 0.085(2) Uani 1 1 d D U . A 1
C42 C 0.8801(9) 0.8123(8) 0.8718(6) 0.078(2) Uani 1 1 d D U . A 1
C43 C 0.9327(8) 0.7049(9) 0.8998(6) 0.076(2) Uani 1 1 d D U . A 1
C44 C 0.8857(11) 0.6722(12) 0.9522(7) 0.085(2) Uani 1 1 d . U . A 1
C45 C 0.9085(10) 0.5599(10) 0.9487(6) 0.088(3) Uani 1 1 d D U . A 1
C46 C 0.8290(10) 0.5319(10) 0.9709(6) 0.095(3) Uani 1 1 d D U . A 1
C47 C 0.8422(11) 0.4478(10) 0.9313(7) 0.096(3) Uani 1 1 d D U . A 1
C48 C 0.7549(15) 0.4357(12) 0.9039(9) 0.102(3) Uani 1 1 d . U . A 1
C49 C 0.7631(10) 0.3971(10) 0.8396(6) 0.093(3) Uani 1 1 d D U . A 1
C50 C 0.6784(9) 0.4495(9) 0.7887(6) 0.086(2) Uani 1 1 d D U . A 1
C51 C 0.7261(10) 0.4521(10) 0.7225(6) 0.093(3) Uani 1 1 d D U . A 1
C52 C 0.6815(13) 0.5442(11) 0.6747(7) 0.084(2) Uani 1 1 d . U . A 1
C53 C 0.7477(12) 0.5796(11) 0.6362(7) 0.082(2) Uani 1 1 d . U . A 1
C54 C 0.6985(9) 0.6883(9) 0.6084(6) 0.077(2) Uani 1 1 d D U . A 1
C55 C 0.7586(9) 0.7469(10) 0.6058(6) 0.087(3) Uani 1 1 d D U . A 1
C56 C 0.8602(10) 0.6981(10) 0.6262(6) 0.091(3) Uani 1 1 d D U . A 1
C57 C 0.9010(9) 0.7540(10) 0.6671(6) 0.088(2) Uani 1 1 d D U . A 1
C58 C 0.9750(9) 0.6782(10) 0.7182(7) 0.090(3) Uani 1 1 d D U . A 1
C59 C 0.9786(9) 0.7081(9) 0.7805(6) 0.083(2) Uani 1 1 d D U . A 1
C60 C 0.9916(8) 0.6402(9) 0.8440(6) 0.082(2) Uani 1 1 d D U . A 1
C61 C 1.0054(10) 0.5401(13) 0.8380(9) 0.094(3) Uani 1 1 d . U . A 1
C62 C 0.9673(9) 0.4987(10) 0.8951(7) 0.092(3) Uani 1 1 d D U . A 1
C63 C 0.9314(10) 0.4243(9) 0.8872(7) 0.096(3) Uani 1 1 d D U . A 1
C64 C 0.9420(11) 0.3845(11) 0.8224(7) 0.108(3) Uani 1 1 d D U . A 1
C65 C 0.8596(8) 0.3644(9) 0.8027(6) 0.097(3) Uani 1 1 d D U . A 1
C66 C 0.8353(9) 0.3992(10) 0.7308(6) 0.096(3) Uani 1 1 d D U . A 1
C67 C 0.9025(11) 0.4419(11) 0.7064(6) 0.096(3) Uani 1 1 d D U . A 1
C68 C 0.8599(12) 0.5367(12) 0.6546(7) 0.086(3) Uani 1 1 d . U . A 1
C69 C 0.9087(10) 0.5916(10) 0.6534(6) 0.088(3) Uani 1 1 d D U . A 1
C70 C 0.9830(9) 0.5789(10) 0.7113(7) 0.090(3) Uani 1 1 d D U . A 1
C71 C 1.0002(10) 0.5122(13) 0.7649(9) 0.092(3) Uani 1 1 d . U . A 1
C72 C 0.9690(10) 0.4305(12) 0.7623(7) 0.104(3) Uani 1 1 d D U . A 1
Dy1A Dy 0.60843(10) 0.82170(7) 0.84513(5) 0.0504(3) Uani 0.6 1 d . . P B 2
Dy1B Dy 0.78246(9) 0.55152(9) 0.79819(6) 0.0444(3) Uani 0.75 1 d . U P B 2
Dy2A Dy 0.6657(2) 0.82623(16) 0.84870(12) 0.0548(5) Uani 0.3 1 d . . P B 2
Dy2B Dy 0.7414(5) 0.5556(4) 0.8136(3) 0.0629(13) Uani 0.2 1 d . U P B 2
Dy3A Dy 0.7217(7) 0.8232(6) 0.8125(6) 0.085(2) Uani 0.1 1 d . . P B 2
Dy3B Dy 0.6744(15) 0.5910(12) 0.8512(9) 0.075(3) Uani 0.05 1 d . U P B 2
O1 O 0.7238(5) 0.7043(4) 0.7976(3) 0.0492(14) Uani 1 1 d . . . B 2
Ni1P Ni 0.52108(8) 0.51701(8) 0.58691(6) 0.0278(3) Uani 1 1 d . . . C 3
N1P N 0.4668(4) 0.4616(4) 0.6659(3) 0.0311(12) Uani 1 1 d . . . C 3
N2P N 0.3915(4) 0.6495(4) 0.5855(3) 0.0306(12) Uani 1 1 d . . . C 3
N3P N 0.5782(4) 0.5740(4) 0.5109(3) 0.0292(12) Uani 1 1 d . . . C 3
N4P N 0.6532(4) 0.3863(4) 0.5913(3) 0.0305(12) Uani 1 1 d . . . C 3
C1P C 0.5160(6) 0.3668(6) 0.7025(4) 0.0333(15) Uani 1 1 d . . . C 3
C2P C 0.4537(6) 0.3572(6) 0.7607(4) 0.0383(16) Uani 1 1 d . . . C 3
C3P C 0.4899(7) 0.2651(7) 0.8131(5) 0.049(2) Uani 1 1 d . . . C 3
H3PA H 0.523543 0.201581 0.787837 0.059 Uiso 1 1 calc R . . C 3
H3PB H 0.427727 0.266310 0.837777 0.059 Uiso 1 1 calc R . . C 3
C4P C 0.5673(7) 0.2607(8) 0.8669(5) 0.055(2) Uani 1 1 d . . . C 3
H4PA H 0.630205 0.256935 0.842974 0.082 Uiso 1 1 calc GR . . C 3
H4PB H 0.587415 0.199519 0.899951 0.082 Uiso 1 1 calc GR . . C 3
H4PC H 0.534250 0.322984 0.892493 0.082 Uiso 1 1 calc GR . . C 3
C5P C 0.3637(6) 0.4487(6) 0.7588(4) 0.0379(16) Uani 1 1 d . . . C 3
C6P C 0.2732(6) 0.4845(7) 0.8099(5) 0.0461(19) Uani 1 1 d . . . C 3
H6PA H 0.274818 0.423632 0.837596 0.055 Uiso 1 1 calc R . . C 3
H6PB H 0.205696 0.520573 0.783450 0.055 Uiso 1 1 calc R . . C 3
C7P C 0.2794(8) 0.5580(7) 0.8602(5) 0.053(2) Uani 1 1 d . . . C 3
H7PA H 0.276439 0.618969 0.832964 0.080 Uiso 1 1 calc GR . . C 3
H7PB H 0.345665 0.522091 0.887008 0.080 Uiso 1 1 calc GR . . C 3
H7PC H 0.219911 0.579688 0.892646 0.080 Uiso 1 1 calc GR . . C 3
C8P C 0.3725(5) 0.5119(6) 0.7004(4) 0.0335(15) Uani 1 1 d . . . C 3
C9P C 0.2955(5) 0.6118(6) 0.6814(4) 0.0337(15) Uani 1 1 d . . . C 3
H9P H 0.231672 0.637705 0.707075 0.040 Uiso 1 1 calc R . . C 3
C10P C 0.3046(5) 0.6761(6) 0.6282(4) 0.0324(14) Uani 1 1 d . . . C 3
C11P C 0.2269(6) 0.7824(6) 0.6130(4) 0.0357(15) Uani 1 1 d . . . C 3
C12P C 0.1273(6) 0.8369(6) 0.6535(5) 0.0465(19) Uani 1 1 d . . . C 3
H12A H 0.093353 0.791910 0.660902 0.056 Uiso 1 1 calc R . . C 3
H12B H 0.078153 0.900784 0.625518 0.056 Uiso 1 1 calc R . . C 3
C13P C 0.1469(8) 0.8648(8) 0.7247(5) 0.057(2) Uani 1 1 d . . . C 3
H13A H 0.178138 0.911297 0.717614 0.086 Uiso 1 1 calc GR . . C 3
H13B H 0.195101 0.801700 0.752772 0.086 Uiso 1 1 calc GR . . C 3
H13C H 0.079839 0.899151 0.749352 0.086 Uiso 1 1 calc GR . . C 3
C14P C 0.2656(5) 0.8211(5) 0.5589(4) 0.0336(15) Uani 1 1 d . . . C 3
C15P C 0.2180(6) 0.9288(6) 0.5232(5) 0.0425(18) Uani 1 1 d . . . C 3
H15A H 0.141241 0.964141 0.532004 0.051 Uiso 1 1 calc R . . C 3
H15B H 0.228250 0.924901 0.471962 0.051 Uiso 1 1 calc R . . C 3
C16P C 0.2667(7) 0.9929(6) 0.5491(5) 0.049(2) Uani 1 1 d . . . C 3
H16A H 0.237202 1.060300 0.521911 0.073 Uiso 1 1 calc GR . . C 3
H16B H 0.343267 0.956445 0.542981 0.073 Uiso 1 1 calc GR . . C 3
H16C H 0.250734 1.002899 0.598887 0.073 Uiso 1 1 calc GR . . C 3
C17P C 0.3675(5) 0.7382(5) 0.5422(4) 0.0303(14) Uani 1 1 d . . . C 3
C18P C 0.4322(5) 0.7489(5) 0.4916(4) 0.0309(14) Uani 1 1 d . . . C 3
H18P H 0.406679 0.813337 0.464395 0.037 Uiso 1 1 calc R . . C 3
C19P C 0.5311(5) 0.6729(5) 0.4775(4) 0.0300(14) Uani 1 1 d . . . C 3
C20P C 0.6005(6) 0.6872(6) 0.4272(4) 0.0324(14) Uani 1 1 d . . . C 3
C21P C 0.5770(6) 0.7877(6) 0.3858(4) 0.0363(15) Uani 1 1 d . . . C 3
H21A H 0.502185 0.823112 0.370532 0.044 Uiso 1 1 calc R . . C 3
H21B H 0.621139 0.773285 0.343293 0.044 Uiso 1 1 calc R . . C 3
C22P C 0.5981(8) 0.8589(7) 0.4290(5) 0.048(2) Uani 1 1 d . . . C 3
H22A H 0.588747 0.920302 0.399112 0.073 Uiso 1 1 calc GR . . C 3
H22B H 0.670511 0.822032 0.447442 0.073 Uiso 1 1 calc GR . . C 3
H22C H 0.548691 0.879908 0.468165 0.073 Uiso 1 1 calc GR . . C 3
C23P C 0.6921(5) 0.5959(6) 0.4294(4) 0.0333(15) Uani 1 1 d . . . C 3
C24P C 0.7932(6) 0.5712(6) 0.3914(4) 0.0378(16) Uani 1 1 d . . . C 3
H24A H 0.778025 0.618017 0.348009 0.045 Uiso 1 1 calc R . . C 3
H24B H 0.825199 0.499441 0.377864 0.045 Uiso 1 1 calc R . . C 3
C25P C 0.8712(7) 0.5832(8) 0.4372(5) 0.053(2) Uani 1 1 d . . . C 3
H25A H 0.934183 0.571605 0.409979 0.079 Uiso 1 1 calc GR . . C 3
H25B H 0.891190 0.532628 0.478215 0.079 Uiso 1 1 calc GR . . C 3
H25C H 0.838202 0.653158 0.452898 0.079 Uiso 1 1 calc GR . . C 3
C26P C 0.6768(5) 0.5270(6) 0.4812(4) 0.0319(14) Uani 1 1 d . . . C 3
C27P C 0.7522(5) 0.4270(5) 0.4992(4) 0.0302(14) Uani 1 1 d . . . C 3
H27P H 0.816330 0.401610 0.473809 0.036 Uiso 1 1 calc R . . C 3
C28P C 0.7428(5) 0.3609(6) 0.5505(4) 0.0328(15) Uani 1 1 d . . . C 3
C29P C 0.8242(6) 0.2582(6) 0.5705(4) 0.0348(15) Uani 1 1 d . . . C 3
C30P C 0.9308(6) 0.2104(6) 0.5383(5) 0.0417(18) Uani 1 1 d . . . C 3
H30A H 0.923054 0.223230 0.486613 0.050 Uiso 1 1 calc R . . C 3
H30B H 0.965099 0.134765 0.550089 0.050 Uiso 1 1 calc R . . C 3
C31P C 1.0018(7) 0.2528(7) 0.5633(6) 0.052(2) Uani 1 1 d . . . C 3
H31A H 0.971126 0.326732 0.548398 0.078 Uiso 1 1 calc GR . . C 3
H31B H 1.071921 0.216136 0.542896 0.078 Uiso 1 1 calc GR . . C 3
H31C H 1.007643 0.242755 0.614625 0.078 Uiso 1 1 calc GR . . C 3
C32P C 0.7846(6) 0.2190(5) 0.6238(4) 0.0345(15) Uani 1 1 d . . . C 3
C33P C 0.8386(6) 0.1166(6) 0.6659(5) 0.0431(18) Uani 1 1 d . . . C 3
H33A H 0.899565 0.068571 0.639183 0.052 Uiso 1 1 calc R . . C 3
H33B H 0.789147 0.087409 0.672688 0.052 Uiso 1 1 calc R . . C 3
C34P C 0.8774(7) 0.1239(7) 0.7381(5) 0.051(2) Uani 1 1 d . . . C 3
H34A H 0.931177 0.146865 0.731716 0.077 Uiso 1 1 calc GR . . C 3
H34B H 0.907757 0.055889 0.764481 0.077 Uiso 1 1 calc GR . . C 3
H34C H 0.817983 0.173599 0.764058 0.077 Uiso 1 1 calc GR . . C 3
C35P C 0.6788(5) 0.2990(5) 0.6359(4) 0.0313(14) Uani 1 1 d . . . C 3
C36P C 0.6141(5) 0.2891(5) 0.6873(4) 0.0312(14) Uani 1 1 d . . . C 3
H36P H 0.638829 0.224407 0.714115 0.037 Uiso 1 1 calc R . . C 3
C1S C 0.2174(9) 1.2092(9) 0.8435(5) 0.062(2) Uani 1 1 d . . . D 3
H1S H 0.234662 1.240635 0.878576 0.074 Uiso 1 1 calc R . . D 3
C2S C 0.1772(10) 1.1400(11) 0.8629(6) 0.072(3) Uani 1 1 d . . . D 3
H2S H 0.168686 1.123199 0.911022 0.086 Uiso 1 1 calc R . . D 3
C3S C 0.1504(9) 1.0972(9) 0.8111(6) 0.062(2) Uani 1 1 d . . . D 3
H3S H 0.124551 1.049362 0.823609 0.074 Uiso 1 1 calc R . . D 3
C4S C 0.1606(8) 1.1227(8) 0.7420(5) 0.053(2) Uani 1 1 d . . . D 3
H4S H 0.139637 1.094288 0.706858 0.064 Uiso 1 1 calc R . . D 3
C5S C 0.2005(7) 1.1883(8) 0.7230(5) 0.051(2) Uani 1 1 d . . . D 3
H5S H 0.207603 1.205568 0.674708 0.062 Uiso 1 1 calc R . . D 3
C6S C 0.2314(8) 1.2309(8) 0.7752(5) 0.058(2) Uani 1 1 d . . . D 3
H6S H 0.262037 1.274734 0.762278 0.069 Uiso 1 1 calc R . . D 3
C7S C 0.2009(11) 0.9003(14) 0.9922(8) 0.092(4) Uani 1 1 d . . . E 3
H7S H 0.249363 0.927194 0.986794 0.110 Uiso 1 1 calc R . . E 3
C8S C 0.1505(9) 0.9043(9) 1.0541(6) 0.066(3) Uani 1 1 d . . . E 3
H8S H 0.164692 0.932886 1.092411 0.079 Uiso 1 1 calc R . . E 3
C9S C 0.0793(10) 0.8671(10) 1.0614(6) 0.072(3) Uani 1 1 d . . . E 3
H9S H 0.043472 0.871229 1.104537 0.087 Uiso 1 1 calc R . . E 3
C10S C 0.0589(10) 0.8236(9) 1.0066(6) 0.069(3) Uani 1 1 d . . . E 3
H10S H 0.009920 0.797371 1.012348 0.083 Uiso 1 1 calc R . . E 3
C11S C 0.1104(9) 0.8183(10) 0.9430(7) 0.072(3) Uani 1 1 d . . . E 3
H11S H 0.096725 0.788998 0.904871 0.086 Uiso 1 1 calc R . . E 3
C12S C 0.1808(10) 0.8561(13) 0.9363(7) 0.086(4) Uani 1 1 d . . . E 3
H12S H 0.216877 0.852389 0.893299 0.103 Uiso 1 1 calc R . . E 3


_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
C1 C2 1.426(13) . ?
C1 C5 1.416(12) . ?
C1 C8 1.443(13) . ?
C2 C3 1.452(13) . ?
C2 C11 1.31(2) . ?
C3 C4 1.434(13) . ?
C3 C14 1.34(2) . ?
C4 C5 1.421(12) . ?
C4 C17 1.41(2) . ?
C5 C6 1.445(13) . ?
C6 C7 1.412(13) . ?
C6 C19 1.46(2) . ?
C7 C8 1.421(13) . ?
C7 C22 1.45(2) . ?
C8 C9 1.396(19) . ?
C9 C10 1.430(14) . ?
C9 C24 1.454(13) . ?
C10 C11 1.56(2) . ?
C10 C26 1.416(14) . ?
C11 C12 1.42(2) . ?
C12 C13 1.462(13) . ?
C12 C28 1.421(13) . ?
C13 C14 1.45(2) . ?
C13 C30 1.434(13) . ?
C14 C15 1.48(2) . ?
C15 C16 1.475(13) . ?
C15 C32 1.479(13) . ?
C16 C17 1.54(2) . ?
C16 C34 1.478(13) . ?
C17 C18 1.41(2) . ?
C18 C19 1.48(2) . ?
C18 C36 1.44(2) . ?
C19 C20 1.47(2) . ?
C20 C21 1.452(14) . ?
C20 C38 1.413(14) . ?
C21 C22 1.43(2) . ?
C21 C40 1.426(14) . ?
C22 C23 1.477(15) . ?
C23 C24 1.434(19) . ?
C23 C42 1.438(19) . ?
C24 C25 1.434(13) . ?
C25 C26 1.475(13) . ?
C25 C44 1.303(19) . ?
C26 C27 1.34(2) . ?
C27 C28 1.55(2) . ?
C27 C46 1.36(2) . ?
C28 C29 1.432(13) . ?
C29 C30 1.419(13) . ?
C29 C48 1.49(2) . ?
C30 C31 1.486(19) . ?
C31 C32 1.359(19) . ?
C31 C50 1.43(2) . ?
C32 C33 1.496(13) . ?
C33 C34 1.473(13) . ?
C33 C52 1.368(19) . ?
C34 C35 1.289(15) . ?
C35 C36 1.470(13) . ?
C35 C54 1.465(13) . ?
C36 C37 1.492(13) . ?
C37 C38 1.394(17) . ?
C37 C55 1.496(13) . ?
C38 C39 1.427(14) . ?
C39 C40 1.456(14) . ?
C39 C57 1.342(18) . ?
C40 C41 1.284(17) . ?
C41 C42 1.470(13) . ?
C41 C59 1.487(13) . ?
C42 C43 1.452(12) . ?
C43 C44 1.366(18) . ?
C43 C60 1.460(13) . ?
C44 C45 1.535(19) . ?
C45 C46 1.428(13) . ?
C45 C62 1.403(13) . ?
C46 C47 1.442(13) . ?
C47 C48 1.47(2) . ?
C47 C63 1.427(14) . ?
C48 C49 1.38(2) . ?
C49 C50 1.445(12) . ?
C49 C65 1.422(12) . ?
C50 C51 1.426(12) . ?
C51 C52 1.443(18) . ?
C51 C66 1.393(12) . ?
C52 C53 1.44(2) . ?
C53 C54 1.466(18) . ?
C53 C68 1.47(2) . ?
C54 C55 1.479(12) . ?
C55 C56 1.343(17) . ?
C56 C57 1.496(13) . ?
C56 C69 1.436(13) . ?
C57 C58 1.445(13) . ?
C58 C59 1.318(16) . ?
C58 C70 1.430(13) . ?
C59 C60 1.459(13) . ?
C60 C61 1.41(2) . ?
C61 C62 1.42(2) . ?
C61 C71 1.51(2) . ?
C62 C63 1.434(13) . ?
C63 C64 1.393(18) . ?
C64 C65 1.419(13) . ?
C64 C72 1.419(13) . ?
C65 C66 1.419(12) . ?
C66 C67 1.428(12) . ?
C67 C68 1.51(2) . ?
C67 C72 1.405(13) . ?
C68 C69 1.295(19) . ?
C69 C70 1.503(13) . ?
C70 C71 1.30(2) . ?
C71 C72 1.47(2) . ?
Dy1A Dy1B 3.7428(14) . ?
Dy1A Dy2A 0.863(2) . ?
Dy1A Dy2B 3.559(5) . ?
Dy1A Dy3A 1.733(8) . ?
Dy1A Dy3B 3.059(15) . ?
Dy1A O1 2.012(6) . ?
Dy1B Dy2A 3.783(2) . ?
Dy1B Dy2B 0.631(5) . ?
Dy1B Dy3A 3.705(8) . ?
Dy1B Dy3B 1.712(18) . ?
Dy1B O1 1.995(6) . ?
Dy2A Dy2B 3.723(6) . ?
Dy2A Dy3A 1.031(9) . ?
Dy2A Dy3B 3.403(15) . ?
Dy2A O1 1.930(6) . ?
Dy2B Dy3A 3.813(9) . ?
Dy2B Dy3B 1.125(18) . ?
Dy2B O1 2.077(8) . ?
Dy3A Dy3B 3.795(17) . ?
Dy3A O1 1.786(9) . ?
Dy3B O1 2.257(16) . ?
Ni1P N1P 1.964(6) . ?
Ni1P N2P 1.962(6) . ?
Ni1P N3P 1.961(6) . ?
Ni1P N4P 1.964(6) . ?
N1P C1P 1.366(9) . ?
N1P C8P 1.380(9) . ?
N2P C10P 1.383(9) . ?
N2P C17P 1.381(9) . ?
N3P C19P 1.385(9) . ?
N3P C26P 1.380(9) . ?
N4P C28P 1.392(9) . ?
N4P C35P 1.377(9) . ?
C1P C2P 1.445(10) . ?
C1P C36P 1.377(10) . ?
C2P C3P 1.497(11) . ?
C2P C5P 1.357(11) . ?
C3P H3PA 0.9900 . ?
C3P H3PB 0.9900 . ?
C3P C4P 1.518(14) . ?
C4P H4PA 0.9800 . ?
C4P H4PB 0.9800 . ?
C4P H4PC 0.9800 . ?
C5P C6P 1.513(10) . ?
C5P C8P 1.429(10) . ?
C6P H6PA 0.9900 . ?
C6P H6PB 0.9900 . ?
C6P C7P 1.547(13) . ?
C7P H7PA 0.9800 . ?
C7P H7PB 0.9800 . ?
C7P H7PC 0.9800 . ?
C8P C9P 1.386(10) . ?
C9P H9P 0.9500 . ?
C9P C10P 1.372(11) . ?
C10P C11P 1.441(10) . ?
C11P C12P 1.500(10) . ?
C11P C14P 1.364(11) . ?
C12P H12A 0.9900 . ?
C12P H12B 0.9900 . ?
C12P C13P 1.529(14) . ?
C13P H13A 0.9800 . ?
C13P H13B 0.9800 . ?
C13P H13C 0.9800 . ?
C14P C15P 1.505(10) . ?
C14P C17P 1.447(9) . ?
C15P H15A 0.9900 . ?
C15P H15B 0.9900 . ?
C15P C16P 1.535(12) . ?
C16P H16A 0.9800 . ?
C16P H16B 0.9800 . ?
C16P H16C 0.9800 . ?
C17P C18P 1.370(10) . ?
C18P H18P 0.9500 . ?
C18P C19P 1.371(10) . ?
C19P C20P 1.437(9) . ?
C20P C21P 1.505(10) . ?
C20P C23P 1.368(10) . ?
C21P H21A 0.9900 . ?
C21P H21B 0.9900 . ?
C21P C22P 1.533(11) . ?
C22P H22A 0.9800 . ?
C22P H22B 0.9800 . ?
C22P H22C 0.9800 . ?
C23P C24P 1.500(9) . ?
C23P C26P 1.440(10) . ?
C24P H24A 0.9900 . ?
C24P H24B 0.9900 . ?
C24P C25P 1.530(12) . ?
C25P H25A 0.9800 . ?
C25P H25B 0.9800 . ?
C25P H25C 0.9800 . ?
C26P C27P 1.376(10) . ?
C27P H27P 0.9500 . ?
C27P C28P 1.369(10) . ?
C28P C29P 1.436(10) . ?
C29P C30P 1.491(10) . ?
C29P C32P 1.365(11) . ?
C30P H30A 0.9900 . ?
C30P H30B 0.9900 . ?
C30P C31P 1.532(12) . ?
C31P H31A 0.9800 . ?
C31P H31B 0.9800 . ?
C31P H31C 0.9800 . ?
C32P C33P 1.499(10) . ?
C32P C35P 1.447(10) . ?
C33P H33A 0.9900 . ?
C33P H33B 0.9900 . ?
C33P C34P 1.538(13) . ?
C34P H34A 0.9800 . ?
C34P H34B 0.9800 . ?
C34P H34C 0.9800 . ?
C35P C36P 1.376(10) . ?
C36P H36P 0.9500 . ?
C1S H1S 0.9500 . ?
C1S C2S 1.408(16) . ?
C1S C6S 1.348(15) . ?
C2S H2S 0.9500 . ?
C2S C3S 1.377(16) . ?
C3S H3S 0.9500 . ?
C3S C4S 1.364(14) . ?
C4S H4S 0.9500 . ?
C4S C5S 1.356(14) . ?
C5S H5S 0.9500 . ?
C5S C6S 1.413(14) . ?
C6S H6S 0.9500 . ?
C7S H7S 0.9500 . ?
C7S C8S 1.358(18) . ?
C7S C12S 1.40(2) . ?
C8S H8S 0.9500 . ?
C8S C9S 1.368(16) . ?
C9S H9S 0.9500 . ?
C9S C10S 1.384(17) . ?
C10S H10S 0.9500 . ?
C10S C11S 1.391(18) . ?
C11S H11S 0.9500 . ?
C11S C12S 1.364(18) . ?
C12S H12S 0.9500 . ?

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
C2 C1 C8 125.8(12) . . ?
C5 C1 C2 108.9(7) . . ?
C5 C1 C8 108.1(7) . . ?
C1 C2 C3 107.5(7) . . ?
C11 C2 C1 120.3(14) . . ?
C11 C2 C3 118.2(13) . . ?
C4 C3 C2 106.8(7) . . ?
C14 C3 C2 120.6(13) . . ?
C14 C3 C4 123.6(13) . . ?
C5 C4 C3 108.8(7) . . ?
C17 C4 C3 124.0(13) . . ?
C17 C4 C5 118.3(14) . . ?
C1 C5 C4 108.0(7) . . ?
C1 C5 C6 108.0(7) . . ?
C4 C5 C6 124.4(12) . . ?
C5 C6 C19 113.3(12) . . ?
C7 C6 C5 107.4(7) . . ?
C7 C6 C19 126.7(13) . . ?
C6 C7 C8 109.3(7) . . ?
C6 C7 C22 117.6(12) . . ?
C8 C7 C22 122.0(13) . . ?
C7 C8 C1 107.2(7) . . ?
C9 C8 C1 114.0(12) . . ?
C9 C8 C7 121.5(13) . . ?
C8 C9 C10 123.2(12) . . ?
C8 C9 C24 119.6(12) . . ?
C10 C9 C24 107.9(7) . . ?
C9 C10 C11 117.9(12) . . ?
C26 C10 C9 109.1(7) . . ?
C26 C10 C11 120.5(12) . . ?
C2 C11 C10 118.1(15) . . ?
C2 C11 C12 123.5(16) . . ?
C12 C11 C10 110.9(14) . . ?
C11 C12 C13 118.9(12) . . ?
C11 C12 C28 126.2(13) . . ?
C28 C12 C13 107.6(7) . . ?
C14 C13 C12 115.0(12) . . ?
C30 C13 C12 106.8(7) . . ?
C30 C13 C14 126.8(12) . . ?
C3 C14 C13 122.5(15) . . ?
C3 C14 C15 117.9(14) . . ?
C13 C14 C15 112.3(14) . . ?
C14 C15 C32 120.2(11) . . ?
C16 C15 C14 120.7(11) . . ?
C16 C15 C32 108.1(7) . . ?
C15 C16 C17 118.4(11) . . ?
C15 C16 C34 107.7(7) . . ?
C34 C16 C17 122.3(11) . . ?
C4 C17 C16 114.0(14) . . ?
C18 C17 C4 121.6(17) . . ?
C18 C17 C16 116.2(15) . . ?
C17 C18 C19 118.3(16) . . ?
C17 C18 C36 116.6(16) . . ?
C36 C18 C19 121.3(16) . . ?
C6 C19 C18 122.2(14) . . ?
C6 C19 C20 111.1(12) . . ?
C20 C19 C18 118.0(14) . . ?
C21 C20 C19 122.1(11) . . ?
C38 C20 C19 121.1(12) . . ?
C38 C20 C21 108.1(7) . . ?
C22 C21 C20 120.8(11) . . ?
C22 C21 C40 122.7(12) . . ?
C40 C21 C20 107.5(7) . . ?
C7 C22 C23 114.6(14) . . ?
C21 C22 C7 118.5(13) . . ?
C21 C22 C23 119.9(14) . . ?
C24 C23 C22 122.9(13) . . ?
C24 C23 C42 113.8(12) . . ?
C42 C23 C22 113.4(13) . . ?
C23 C24 C9 118.1(11) . . ?
C25 C24 C9 108.1(7) . . ?
C25 C24 C23 122.6(11) . . ?
C24 C25 C26 107.1(7) . . ?
C44 C25 C24 119.3(12) . . ?
C44 C25 C26 126.5(12) . . ?
C10 C26 C25 107.8(7) . . ?
C27 C26 C10 128.5(13) . . ?
C27 C26 C25 114.7(12) . . ?
C26 C27 C28 112.4(14) . . ?
C26 C27 C46 126.5(16) . . ?
C46 C27 C28 114.4(14) . . ?
C12 C28 C27 120.4(11) . . ?
C12 C28 C29 108.7(7) . . ?
C29 C28 C27 118.3(12) . . ?
C28 C29 C48 127.0(13) . . ?
C30 C29 C28 108.0(7) . . ?
C30 C29 C48 116.6(12) . . ?
C13 C30 C31 118.9(11) . . ?
C29 C30 C13 108.9(7) . . ?
C29 C30 C31 122.0(12) . . ?
C32 C31 C30 115.6(14) . . ?
C32 C31 C50 117.8(13) . . ?
C50 C31 C30 117.2(13) . . ?
C15 C32 C33 108.2(7) . . ?
C31 C32 C15 125.9(12) . . ?
C31 C32 C33 117.4(11) . . ?
C34 C33 C32 106.8(7) . . ?
C52 C33 C32 126.5(11) . . ?
C52 C33 C34 118.2(11) . . ?
C33 C34 C16 109.2(7) . . ?
C35 C34 C16 117.4(11) . . ?
C35 C34 C33 124.4(11) . . ?
C34 C35 C36 121.7(11) . . ?
C34 C35 C54 118.8(10) . . ?
C54 C35 C36 109.4(7) . . ?
C18 C36 C35 124.0(11) . . ?
C18 C36 C37 114.9(12) . . ?
C35 C36 C37 107.4(7) . . ?
C36 C37 C55 107.5(7) . . ?
C38 C37 C36 125.2(11) . . ?
C38 C37 C55 117.1(11) . . ?
C20 C38 C39 109.2(7) . . ?
C37 C38 C20 118.6(12) . . ?
C37 C38 C39 120.9(12) . . ?
C38 C39 C40 107.2(7) . . ?
C57 C39 C38 121.5(12) . . ?
C57 C39 C40 119.3(12) . . ?
C21 C40 C39 108.1(7) . . ?
C41 C40 C21 118.6(12) . . ?
C41 C40 C39 119.7(12) . . ?
C40 C41 C42 122.5(11) . . ?
C40 C41 C59 120.7(11) . . ?
C42 C41 C59 107.4(7) . . ?
C23 C42 C41 122.5(10) . . ?
C23 C42 C43 120.8(10) . . ?
C43 C42 C41 107.8(7) . . ?
C42 C43 C60 109.2(7) . . ?
C44 C43 C42 119.2(11) . . ?
C44 C43 C60 122.1(11) . . ?
C25 C44 C43 123.6(14) . . ?
C25 C44 C45 115.1(13) . . ?
C43 C44 C45 113.3(13) . . ?
C46 C45 C44 118.7(11) . . ?
C62 C45 C44 123.3(11) . . ?
C62 C45 C46 109.1(7) . . ?
C27 C46 C45 118.2(13) . . ?
C27 C46 C47 125.9(13) . . ?
C45 C46 C47 107.4(7) . . ?
C46 C47 C48 124.3(13) . . ?
C63 C47 C46 107.2(7) . . ?
C63 C47 C48 117.5(12) . . ?
C47 C48 C29 109.7(14) . . ?
C49 C48 C29 121.6(15) . . ?
C49 C48 C47 120.3(15) . . ?
C48 C49 C50 119.9(12) . . ?
C48 C49 C65 118.4(13) . . ?
C65 C49 C50 107.5(7) . . ?
C31 C50 C49 121.0(11) . . ?
C51 C50 C31 122.8(11) . . ?
C51 C50 C49 106.7(7) . . ?
C50 C51 C52 120.5(11) . . ?
C66 C51 C50 109.0(7) . . ?
C66 C51 C52 117.9(12) . . ?
C33 C52 C51 112.6(13) . . ?
C33 C52 C53 121.4(13) . . ?
C53 C52 C51 121.1(14) . . ?
C52 C53 C54 117.2(13) . . ?
C52 C53 C68 121.0(14) . . ?
C54 C53 C68 113.7(12) . . ?
C35 C54 C53 119.6(10) . . ?
C35 C54 C55 108.0(7) . . ?
C53 C54 C55 120.4(10) . . ?
C54 C55 C37 107.7(7) . . ?
C56 C55 C37 121.7(11) . . ?
C56 C55 C54 119.1(11) . . ?
C55 C56 C57 118.6(11) . . ?
C55 C56 C69 120.6(11) . . ?
C69 C56 C57 108.4(7) . . ?
C39 C57 C56 120.1(11) . . ?
C39 C57 C58 121.8(11) . . ?
C58 C57 C56 106.6(7) . . ?
C59 C58 C57 117.7(11) . . ?
C59 C58 C70 120.8(11) . . ?
C70 C58 C57 110.3(7) . . ?
C58 C59 C41 120.7(11) . . ?
C58 C59 C60 120.7(11) . . ?
C60 C59 C41 107.9(7) . . ?
C59 C60 C43 107.7(7) . . ?
C61 C60 C43 124.4(11) . . ?
C61 C60 C59 119.3(11) . . ?
C60 C61 C62 115.5(14) . . ?
C60 C61 C71 116.5(14) . . ?
C62 C61 C71 119.3(14) . . ?
C45 C62 C61 121.0(12) . . ?
C45 C62 C63 107.8(7) . . ?
C61 C62 C63 122.7(13) . . ?
C47 C63 C62 108.2(7) . . ?
C64 C63 C47 123.2(12) . . ?
C64 C63 C62 118.9(12) . . ?
C63 C64 C65 116.0(12) . . ?
C63 C64 C72 120.1(13) . . ?
C72 C64 C65 107.7(7) . . ?
C64 C65 C49 123.6(11) . . ?
C66 C65 C49 108.0(7) . . ?
C66 C65 C64 108.0(7) . . ?
C51 C66 C65 108.6(7) . . ?
C51 C66 C67 123.1(11) . . ?
C65 C66 C67 107.8(7) . . ?
C66 C67 C68 119.6(12) . . ?
C72 C67 C66 107.8(7) . . ?
C72 C67 C68 121.4(12) . . ?
C53 C68 C67 114.9(13) . . ?
C69 C68 C53 123.6(14) . . ?
C69 C68 C67 115.8(13) . . ?
C56 C69 C70 107.4(7) . . ?
C68 C69 C56 122.1(12) . . ?
C68 C69 C70 121.7(12) . . ?
C58 C70 C69 107.3(7) . . ?
C71 C70 C58 122.1(13) . . ?
C71 C70 C69 120.8(12) . . ?
C70 C71 C61 120.4(15) . . ?
C70 C71 C72 120.3(14) . . ?
C72 C71 C61 114.0(14) . . ?
C64 C72 C71 123.6(13) . . ?
C67 C72 C64 108.6(7) . . ?
C67 C72 C71 116.4(12) . . ?
Dy2A Dy1A Dy1B 86.07(15) . . ?
Dy2A Dy1A Dy2B 94.26(17) . . ?
Dy2A Dy1A Dy3A 26.1(4) . . ?
Dy2A Dy1A Dy3B 106.3(4) . . ?
Dy2A Dy1A O1 72.1(2) . . ?
Dy2B Dy1A Dy1B 9.48(9) . . ?
Dy3A Dy1A Dy1B 75.3(3) . . ?
Dy3A Dy1A Dy2B 84.8(3) . . ?
Dy3A Dy1A Dy3B 101.1(4) . . ?
Dy3A Dy1A O1 56.4(3) . . ?
Dy3B Dy1A Dy1B 26.8(3) . . ?
Dy3B Dy1A Dy2B 17.6(3) . . ?
O1 Dy1A Dy1B 20.81(18) . . ?
O1 Dy1A Dy2B 30.0(2) . . ?
O1 Dy1A Dy3B 47.6(4) . . ?
Dy1A Dy1B Dy2A 13.15(4) . . ?
Dy2B Dy1B Dy1A 68.3(5) . . ?
Dy2B Dy1B Dy2A 79.8(5) . . ?
Dy2B Dy1B Dy3A 95.1(6) . . ?
Dy2B Dy1B Dy3B 17.1(7) . . ?
Dy2B Dy1B O1 88.5(6) . . ?
Dy3A Dy1B Dy1A 26.91(13) . . ?
Dy3A Dy1B Dy2A 15.78(13) . . ?
Dy3B Dy1B Dy1A 53.7(5) . . ?
Dy3B Dy1B Dy2A 64.1(5) . . ?
Dy3B Dy1B Dy3A 79.8(5) . . ?
Dy3B Dy1B O1 74.6(5) . . ?
O1 Dy1B Dy1A 20.99(19) . . ?
O1 Dy1B Dy2A 15.20(19) . . ?
O1 Dy1B Dy3A 10.8(2) . . ?
Dy1A Dy2A Dy1B 80.78(14) . . ?
Dy1A Dy2A Dy2B 72.38(17) . . ?
Dy1A Dy2A Dy3A 132.3(6) . . ?
Dy1A Dy2A Dy3B 59.6(3) . . ?
Dy1A Dy2A O1 82.7(2) . . ?
Dy2B Dy2A Dy1B 9.60(8) . . ?
Dy3A Dy2A Dy1B 77.8(4) . . ?
Dy3A Dy2A Dy2B 87.1(4) . . ?
Dy3A Dy2A Dy3B 104.5(5) . . ?
Dy3A Dy2A O1 66.3(5) . . ?
Dy3B Dy2A Dy1B 26.9(3) . . ?
Dy3B Dy2A Dy2B 17.4(3) . . ?
O1 Dy2A Dy1B 15.7(2) . . ?
O1 Dy2A Dy2B 22.5(2) . . ?
O1 Dy2A Dy3B 39.0(4) . . ?
Dy1A Dy2B Dy2A 13.36(4) . . ?
Dy1A Dy2B Dy3A 26.92(13) . . ?
Dy1B Dy2B Dy1A 102.2(6) . . ?
Dy1B Dy2B Dy2A 90.6(5) . . ?
Dy1B Dy2B Dy3A 75.4(5) . . ?
Dy1B Dy2B Dy3B 153.3(11) . . ?
Dy1B Dy2B O1 73.8(5) . . ?
Dy2A Dy2B Dy3A 15.66(13) . . ?
Dy3B Dy2B Dy1A 55.2(8) . . ?
Dy3B Dy2B Dy2A 64.9(8) . . ?
Dy3B Dy2B Dy3A 80.6(8) . . ?
Dy3B Dy2B O1 84.1(8) . . ?
O1 Dy2B Dy1A 29.0(2) . . ?
O1 Dy2B Dy2A 20.9(2) . . ?
O1 Dy2B Dy3A 8.5(2) . . ?
Dy1A Dy3A Dy1B 77.8(2) . . ?
Dy1A Dy3A Dy2B 68.3(2) . . ?
Dy1A Dy3A Dy3B 52.3(3) . . ?
Dy1A Dy3A O1 69.7(3) . . ?
Dy1B Dy3A Dy2B 9.48(9) . . ?
Dy1B Dy3A Dy3B 26.4(3) . . ?
Dy2A Dy3A Dy1A 21.6(3) . . ?
Dy2A Dy3A Dy1B 86.4(4) . . ?
Dy2A Dy3A Dy2B 77.2(4) . . ?
Dy2A Dy3A Dy3B 60.2(5) . . ?
Dy2A Dy3A O1 81.8(5) . . ?
Dy3B Dy3A Dy2B 17.0(3) . . ?
O1 Dy3A Dy1B 12.1(3) . . ?
O1 Dy3A Dy2B 9.9(3) . . ?
O1 Dy3A Dy3B 22.8(4) . . ?
Dy1A Dy3B Dy2A 14.08(8) . . ?
Dy1A Dy3B Dy3A 26.63(18) . . ?
Dy1B Dy3B Dy1A 99.5(6) . . ?
Dy1B Dy3B Dy2A 89.0(6) . . ?
Dy1B Dy3B Dy3A 73.9(5) . . ?
Dy1B Dy3B O1 58.4(5) . . ?
Dy2A Dy3B Dy3A 15.25(15) . . ?
Dy2B Dy3B Dy1A 107.3(9) . . ?
Dy2B Dy3B Dy1B 9.5(4) . . ?
Dy2B Dy3B Dy2A 97.6(8) . . ?
Dy2B Dy3B Dy3A 82.4(8) . . ?
Dy2B Dy3B O1 66.2(7) . . ?
O1 Dy3B Dy1A 41.1(3) . . ?
O1 Dy3B Dy2A 32.6(3) . . ?
O1 Dy3B Dy3A 17.8(3) . . ?
Dy1A O1 Dy2B 121.0(4) . . ?
Dy1A O1 Dy3B 91.3(5) . . ?
Dy1B O1 Dy1A 138.2(4) . . ?
Dy1B O1 Dy2B 17.67(16) . . ?
Dy1B O1 Dy3B 47.0(5) . . ?
Dy2A O1 Dy1A 25.17(10) . . ?
Dy2A O1 Dy1B 149.1(4) . . ?
Dy2A O1 Dy2B 136.6(4) . . ?
Dy2A O1 Dy3B 108.5(5) . . ?
Dy2B O1 Dy3B 29.7(5) . . ?
Dy3A O1 Dy1A 53.9(3) . . ?
Dy3A O1 Dy1B 157.1(5) . . ?
Dy3A O1 Dy2A 31.9(3) . . ?
Dy3A O1 Dy2B 161.7(5) . . ?
Dy3A O1 Dy3B 139.4(6) . . ?
N1P Ni1P N4P 89.8(2) . . ?
N2P Ni1P N1P 90.1(2) . . ?
N2P Ni1P N4P 177.7(2) . . ?
N3P Ni1P N1P 177.6(2) . . ?
N3P Ni1P N2P 90.0(2) . . ?
N3P Ni1P N4P 90.0(2) . . ?
C1P N1P Ni1P 128.3(5) . . ?
C1P N1P C8P 103.6(6) . . ?
C8P N1P Ni1P 128.0(5) . . ?
C10P N2P Ni1P 128.0(5) . . ?
C17P N2P Ni1P 127.6(5) . . ?
C17P N2P C10P 104.4(6) . . ?
C19P N3P Ni1P 127.8(4) . . ?
C26P N3P Ni1P 128.0(5) . . ?
C26P N3P C19P 104.1(5) . . ?
C28P N4P Ni1P 128.1(5) . . ?
C35P N4P Ni1P 127.8(5) . . ?
C35P N4P C28P 104.1(6) . . ?
N1P C1P C2P 112.1(6) . . ?
N1P C1P C36P 124.8(6) . . ?
C36P C1P C2P 123.1(7) . . ?
C1P C2P C3P 124.3(7) . . ?
C5P C2P C1P 105.7(7) . . ?
C5P C2P C3P 129.8(7) . . ?
C2P C3P H3PA 108.9 . . ?
C2P C3P H3PB 108.9 . . ?
C2P C3P C4P 113.2(8) . . ?
H3PA C3P H3PB 107.8 . . ?
C4P C3P H3PA 108.9 . . ?
C4P C3P H3PB 108.9 . . ?
C3P C4P H4PA 109.5 . . ?
C3P C4P H4PB 109.5 . . ?
C3P C4P H4PC 109.5 . . ?
H4PA C4P H4PB 109.5 . . ?
H4PA C4P H4PC 109.5 . . ?
H4PB C4P H4PC 109.5 . . ?
C2P C5P C6P 128.7(7) . . ?
C2P C5P C8P 106.6(6) . . ?
C8P C5P C6P 124.5(7) . . ?
C5P C6P H6PA 109.3 . . ?
C5P C6P H6PB 109.3 . . ?
C5P C6P C7P 111.4(7) . . ?
H6PA C6P H6PB 108.0 . . ?
C7P C6P H6PA 109.3 . . ?
C7P C6P H6PB 109.3 . . ?
C6P C7P H7PA 109.5 . . ?
C6P C7P H7PB 109.5 . . ?
C6P C7P H7PC 109.5 . . ?
H7PA C7P H7PB 109.5 . . ?
H7PA C7P H7PC 109.5 . . ?
H7PB C7P H7PC 109.5 . . ?
N1P C8P C5P 111.9(6) . . ?
N1P C8P C9P 124.4(7) . . ?
C9P C8P C5P 123.7(6) . . ?
C8P C9P H9P 117.6 . . ?
C10P C9P C8P 124.8(6) . . ?
C10P C9P H9P 117.6 . . ?
N2P C10P C11P 111.5(6) . . ?
C9P C10P N2P 124.7(6) . . ?
C9P C10P C11P 123.8(6) . . ?
C10P C11P C12P 124.5(7) . . ?
C14P C11P C10P 106.4(6) . . ?
C14P C11P C12P 129.0(7) . . ?
C11P C12P H12A 109.1 . . ?
C11P C12P H12B 109.1 . . ?
C11P C12P C13P 112.5(7) . . ?
H12A C12P H12B 107.8 . . ?
C13P C12P H12A 109.1 . . ?
C13P C12P H12B 109.1 . . ?
C12P C13P H13A 109.5 . . ?
C12P C13P H13B 109.5 . . ?
C12P C13P H13C 109.5 . . ?
H13A C13P H13B 109.5 . . ?
H13A C13P H13C 109.5 . . ?
H13B C13P H13C 109.5 . . ?
C11P C14P C15P 128.9(7) . . ?
C11P C14P C17P 106.6(6) . . ?
C17P C14P C15P 124.5(7) . . ?
C14P C15P H15A 109.1 . . ?
C14P C15P H15B 109.1 . . ?
C14P C15P C16P 112.5(7) . . ?
H15A C15P H15B 107.8 . . ?
C16P C15P H15A 109.1 . . ?
C16P C15P H15B 109.1 . . ?
C15P C16P H16A 109.5 . . ?
C15P C16P H16B 109.5 . . ?
C15P C16P H16C 109.5 . . ?
H16A C16P H16B 109.5 . . ?
H16A C16P H16C 109.5 . . ?
H16B C16P H16C 109.5 . . ?
N2P C17P C14P 111.1(6) . . ?
C18P C17P N2P 125.2(6) . . ?
C18P C17P C14P 123.6(6) . . ?
C17P C18P H18P 117.8 . . ?
C17P C18P C19P 124.4(7) . . ?
C19P C18P H18P 117.8 . . ?
N3P C19P C20P 111.4(6) . . ?
C18P C19P N3P 124.8(6) . . ?
C18P C19P C20P 123.8(6) . . ?
C19P C20P C21P 125.0(6) . . ?
C23P C20P C19P 106.7(6) . . ?
C23P C20P C21P 128.1(6) . . ?
C20P C21P H21A 109.3 . . ?
C20P C21P H21B 109.3 . . ?
C20P C21P C22P 111.8(6) . . ?
H21A C21P H21B 107.9 . . ?
C22P C21P H21A 109.3 . . ?
C22P C21P H21B 109.3 . . ?
C21P C22P H22A 109.5 . . ?
C21P C22P H22B 109.5 . . ?
C21P C22P H22C 109.5 . . ?
H22A C22P H22B 109.5 . . ?
H22A C22P H22C 109.5 . . ?
H22B C22P H22C 109.5 . . ?
C20P C23P C24P 128.7(7) . . ?
C20P C23P C26P 106.1(6) . . ?
C26P C23P C24P 125.1(7) . . ?
C23P C24P H24A 109.4 . . ?
C23P C24P H24B 109.4 . . ?
C23P C24P C25P 111.3(6) . . ?
H24A C24P H24B 108.0 . . ?
C25P C24P H24A 109.4 . . ?
C25P C24P H24B 109.4 . . ?
C24P C25P H25A 109.5 . . ?
C24P C25P H25B 109.5 . . ?
C24P C25P H25C 109.5 . . ?
H25A C25P H25B 109.5 . . ?
H25A C25P H25C 109.5 . . ?
H25B C25P H25C 109.5 . . ?
N3P C26P C23P 111.8(6) . . ?
C27P C26P N3P 124.5(6) . . ?
C27P C26P C23P 123.7(6) . . ?
C26P C27P H27P 117.3 . . ?
C28P C27P C26P 125.5(6) . . ?
C28P C27P H27P 117.3 . . ?
N4P C28P C29P 111.5(6) . . ?
C27P C28P N4P 123.9(6) . . ?
C27P C28P C29P 124.6(6) . . ?
C28P C29P C30P 124.1(7) . . ?
C32P C29P C28P 106.5(6) . . ?
C32P C29P C30P 129.4(7) . . ?
C29P C30P H30A 109.0 . . ?
C29P C30P H30B 109.0 . . ?
C29P C30P C31P 112.7(7) . . ?
H30A C30P H30B 107.8 . . ?
C31P C30P H30A 109.0 . . ?
C31P C30P H30B 109.0 . . ?
C30P C31P H31A 109.5 . . ?
C30P C31P H31B 109.5 . . ?
C30P C31P H31C 109.5 . . ?
H31A C31P H31B 109.5 . . ?
H31A C31P H31C 109.5 . . ?
H31B C31P H31C 109.5 . . ?
C29P C32P C33P 128.5(7) . . ?
C29P C32P C35P 106.5(6) . . ?
C35P C32P C33P 124.9(7) . . ?
C32P C33P H33A 109.0 . . ?
C32P C33P H33B 109.0 . . ?
C32P C33P C34P 112.9(7) . . ?
H33A C33P H33B 107.8 . . ?
C34P C33P H33A 109.0 . . ?
C34P C33P H33B 109.0 . . ?
C33P C34P H34A 109.5 . . ?
C33P C34P H34B 109.5 . . ?
C33P C34P H34C 109.5 . . ?
H34A C34P H34B 109.5 . . ?
H34A C34P H34C 109.5 . . ?
H34B C34P H34C 109.5 . . ?
N4P C35P C32P 111.4(6) . . ?
C36P C35P N4P 124.9(6) . . ?
C36P C35P C32P 123.7(7) . . ?
C1P C36P H36P 117.8 . . ?
C35P C36P C1P 124.4(7) . . ?
C35P C36P H36P 117.8 . . ?
C2S C1S H1S 119.9 . . ?
C6S C1S H1S 119.9 . . ?
C6S C1S C2S 120.2(10) . . ?
C1S C2S H2S 120.6 . . ?
C3S C2S C1S 118.9(10) . . ?
C3S C2S H2S 120.6 . . ?
C2S C3S H3S 119.7 . . ?
C4S C3S C2S 120.7(10) . . ?
C4S C3S H3S 119.7 . . ?
C3S C4S H4S 119.7 . . ?
C5S C4S C3S 120.7(9) . . ?
C5S C4S H4S 119.7 . . ?
C4S C5S H5S 120.2 . . ?
C4S C5S C6S 119.7(9) . . ?
C6S C5S H5S 120.2 . . ?
C1S C6S C5S 119.8(10) . . ?
C1S C6S H6S 120.1 . . ?
C5S C6S H6S 120.1 . . ?
C8S C7S H7S 120.2 . . ?
C8S C7S C12S 119.6(12) . . ?
C12S C7S H7S 120.2 . . ?
C7S C8S H8S 120.0 . . ?
C7S C8S C9S 120.1(11) . . ?
C9S C8S H8S 120.0 . . ?
C8S C9S H9S 119.6 . . ?
C8S C9S C10S 120.8(11) . . ?
C10S C9S H9S 119.6 . . ?
C9S C10S H10S 120.1 . . ?
C9S C10S C11S 119.9(11) . . ?
C11S C10S H10S 120.1 . . ?
C10S C11S H11S 120.6 . . ?
C12S C11S C10S 118.7(11) . . ?
C12S C11S H11S 120.6 . . ?
C7S C12S H12S 119.5 . . ?
C11S C12S C7S 121.0(11) . . ?
C11S C12S H12S 119.5 . . ?

_olex2_submission_special_instructions 'No special instructions were received'
loop_
_twin_individual_id
_twin_individual_mass_fraction_refined
1 0.686(5)
2 0.314(5)

####################################################################### 
# 
# 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_dy2oc74_sq
_database_code_depnum_ccdc_archive 'CCDC 1974314'
loop_
_audit_author_name
_audit_author_address
'Wei Yang'
;Soochow university
China
;
_audit_update_record             
;
2019-12-27 deposited with the CCDC.	2020-04-20 downloaded from the CCDC.
;
_audit_creation_date             2018-11-29
_audit_creation_method           
;
Olex2 1.2
(compiled 2017.08.10 svn.r3458 for OlexSys, GUI svn.r5381)
;
_shelx_SHELXL_version_number     2018/1
_chemical_name_common            ?
_chemical_name_systematic        Dy2O@C2(13333)-C74
_chemical_formula_moiety         'C74 Dy2 O, C36 H44 N4 Ni, C6 H6, C S2'
_chemical_formula_sum            'C117 H50 Dy2 N4 Ni O S2'
_chemical_formula_weight         1975.44
_chemical_melting_point          ?
loop_
_atom_type_symbol
_atom_type_description
_atom_type_scat_dispersion_real
_atom_type_scat_dispersion_imag
_atom_type_scat_source
C C 0.0181 0.0091 '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'
Dy Dy -9.8046 9.8477 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
N N 0.0311 0.0180 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Ni Ni -3.0029 0.5091 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
O O 0.0492 0.0322 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
S S 0.3331 0.5567 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'

_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.
;
_space_group_crystal_system      monoclinic
_space_group_IT_number           14
_space_group_name_H-M_alt        'P 1 21/c 1'
_space_group_name_Hall           '-P 2ybc'
loop_
_space_group_symop_operation_xyz
'x, y, z'
'-x, y+1/2, -z+1/2'
'-x, -y, -z'
'x, -y-1/2, z-1/2'

_cell_length_a                   17.914(2)
_cell_length_b                   16.589(2)
_cell_length_c                   25.753(3)
_cell_angle_alpha                90
_cell_angle_beta                 106.775(4)
_cell_angle_gamma                90
_cell_volume                     7327.4(15)
_cell_formula_units_Z            4
_cell_measurement_reflns_used    9789
_cell_measurement_temperature    173(2)
_cell_measurement_theta_max      68.48
_cell_measurement_theta_min      2.68
_shelx_estimated_absorpt_T_max   0.377
_shelx_estimated_absorpt_T_min   0.264
_exptl_absorpt_coefficient_mu    12.100
_exptl_absorpt_correction_T_max  0.298
_exptl_absorpt_correction_T_min  0.219
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   ?
_exptl_absorpt_special_details   ?
_exptl_crystal_colour            'clear dark black'
_exptl_crystal_colour_lustre     clear
_exptl_crystal_colour_modifier   dark
_exptl_crystal_colour_primary    black
_exptl_crystal_density_diffrn    1.791
_exptl_crystal_density_meas      ?
_exptl_crystal_density_method    ?
_exptl_crystal_description       block
_exptl_crystal_F_000             3920
_exptl_crystal_size_max          0.15
_exptl_crystal_size_mid          0.12
_exptl_crystal_size_min          0.1
_exptl_transmission_factor_max   ?
_exptl_transmission_factor_min   ?
_diffrn_reflns_av_R_equivalents  0.0665
_diffrn_reflns_av_unetI/netI     0.0889
_diffrn_reflns_Laue_measured_fraction_full 0.995
_diffrn_reflns_Laue_measured_fraction_max 0.995
_diffrn_reflns_limit_h_max       20
_diffrn_reflns_limit_h_min       -20
_diffrn_reflns_limit_k_max       19
_diffrn_reflns_limit_k_min       -14
_diffrn_reflns_limit_l_max       29
_diffrn_reflns_limit_l_min       -29
_diffrn_reflns_number            59445
_diffrn_reflns_point_group_measured_fraction_full 0.995
_diffrn_reflns_point_group_measured_fraction_max 0.995
_diffrn_reflns_theta_full        63.933
_diffrn_reflns_theta_max         63.933
_diffrn_reflns_theta_min         2.576
_diffrn_ambient_temperature      173.0
_diffrn_detector_area_resol_mean ?
_diffrn_measured_fraction_theta_full 0.995
_diffrn_measured_fraction_theta_max 0.995
_diffrn_measurement_device_type  'Bruker APEX-II CCD'
_diffrn_measurement_method       'φ and ω scans'
_diffrn_radiation_type           CuK\a
_diffrn_radiation_wavelength     1.54178
_diffrn_source                   ?
_diffrn_standards_number         0
_reflns_Friedel_coverage         0.000
_reflns_Friedel_fraction_full    .
_reflns_Friedel_fraction_max     .
_reflns_number_gt                8898
_reflns_number_total             12074
_reflns_special_details          
;
 Reflections were merged by SHELXL according to the crystal
 class for the calculation of statistics and refinement.
 
 Structure factors included contributions from the .fab file.
 
 _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.
;
_reflns_threshold_expression     'I > 2σ(I)'
_computing_cell_refinement       ?
_computing_data_collection       ?
_computing_data_reduction        ?
_computing_molecular_graphics    'Olex2 (Dolomanov et al., 2009)'
_computing_publication_material  'Olex2 (Dolomanov et al., 2009)'
_computing_structure_refinement  'ShelXL (Sheldrick, 2015)'
_computing_structure_solution    'SHELXT 2014/5 (Sheldrick, 2014)'
_refine_diff_density_max         2.104
_refine_diff_density_min         -1.251
_refine_diff_density_rms         0.212
_refine_ls_extinction_coef       .
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.129
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     1174
_refine_ls_number_reflns         12074
_refine_ls_number_restraints     1166
_refine_ls_R_factor_all          0.1495
_refine_ls_R_factor_gt           0.1286
_refine_ls_restrained_S_all      1.166
_refine_ls_shift/su_max          0.005
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details     
'w=1/[σ²(Fo²)+(0.1000P)²+120.0000P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.3121
_refine_ls_wR_factor_ref         0.3277
_refine_special_details          ?
_olex2_refinement_description    
;
1. Fixed Uiso
 At 1.2 times of:
  All C(H) groups, All C(H,H) groups
 At 1.5 times of:
  All C(H,H,H) groups
2. Restrained distances
 C64A-C63A
 1.38 with sigma of 0.02
 C9A-C8A
 1.38 with sigma of 0.02
 C40A-C41A
 1.38 with sigma of 0.02
 C34A-C35A
 1.44 with sigma of 0.02
 C1A-C8A \\sim C8A-C7A \\sim C7A-C6A \\sim C6A-C5A \\sim C5A-C1A
 with sigma of 0.02
 C1A-C7A \\sim C1A-C6A \\sim C8A-C6A \\sim C8A-C5A \\sim C7A-C5A
 with sigma of 0.02
 C1A-C5A \\sim C5A-C4A \\sim C4A-C3A \\sim C3A-C2A \\sim C2A-C1A
 with sigma of 0.02
 C1A-C4A \\sim C1A-C3A \\sim C5A-C3A \\sim C5A-C2A \\sim C4A-C2A
 with sigma of 0.02
 C12A-C13A \\sim C13A-C30A \\sim C30A-C29A \\sim C29A-C28A \\sim C28A-C12A
 with sigma of 0.02
 C12A-C30A \\sim C12A-C29A \\sim C13A-C29A \\sim C13A-C28A \\sim C30A-C28A
 with sigma of 0.02
 C21A-C40A \\sim C40A-C39A \\sim C39A-C38A \\sim C38A-C20A \\sim C20A-C21A
 with sigma of 0.02
 C21A-C39A \\sim C21A-C38A \\sim C40A-C38A \\sim C40A-C20A \\sim C39A-C20A
 with sigma of 0.02
 C16A-C34A \\sim C34A-C33A \\sim C33A-C32A \\sim C32A-C15A \\sim C15A-C16A
 with sigma of 0.02
 C16A-C33A \\sim C16A-C32A \\sim C34A-C32A \\sim C34A-C15A \\sim C33A-C15A
 with sigma of 0.02
 C25A-C24A \\sim C24A-C9A \\sim C9A-C10A \\sim C10A-C26A \\sim C26A-C25A
 with sigma of 0.02
 C25A-C9A \\sim C25A-C10A \\sim C24A-C10A \\sim C24A-C26A \\sim C9A-C26A
 with sigma of 0.02
 C60A-C59A \\sim C59A-C41A \\sim C41A-C42A \\sim C42A-C43A \\sim C43A-C60A
 with sigma of 0.02
 C60A-C41A \\sim C60A-C42A \\sim C59A-C42A \\sim C59A-C43A \\sim C41A-C43A
 with sigma of 0.02
 C50A-C51A \\sim C51A-C66A \\sim C66A-C65A \\sim C65A-C49A \\sim C49A-C50A
 with sigma of 0.02
 C50A-C66A \\sim C50A-C65A \\sim C51A-C65A \\sim C51A-C49A \\sim C66A-C49A
 with sigma of 0.02
 C37A-C55A \\sim C55A-C54A \\sim C54A-C35A \\sim C35A-C36A \\sim C36A-C37A
 with sigma of 0.02
 C37A-C54A \\sim C37A-C35A \\sim C55A-C35A \\sim C55A-C36A \\sim C54A-C36A
 with sigma of 0.02
 C45A-C46A \\sim C46A-C47A \\sim C47A-C63A \\sim C63A-C62A \\sim C62A-C45A
 with sigma of 0.02
 C45A-C47A \\sim C45A-C63A \\sim C46A-C63A \\sim C46A-C62A \\sim C47A-C62A
 with sigma of 0.02
 C74A-C67A \\sim C67A-C68A \\sim C68A-C69A \\sim C69A-C70A \\sim C70A-C74A
 with sigma of 0.02
 C74A-C68A \\sim C74A-C69A \\sim C67A-C69A \\sim C67A-C70A \\sim C68A-C70A
 with sigma of 0.02
 C74A-C70A \\sim C70A-C71A \\sim C71A-C72A \\sim C72A-C73A \\sim C73A-C74A
 with sigma of 0.02
 C74A-C71A \\sim C74A-C72A \\sim C70A-C72A \\sim C70A-C73A \\sim C71A-C73A
 with sigma of 0.02
 C8A-C24A \\sim C8A-C10A \\sim C9A-C1A \\sim C9A-C7A
 with sigma of 0.02
 C11A-C10A \\sim C11A-C2A \\sim C11A-C12A
 with sigma of 0.02
 C2A-C10A \\sim C10A-C12A \\sim C12A-C2A
 with sigma of 0.02
 C23A-C24A \\sim C23A-C22A \\sim C23A-C42A
 with sigma of 0.02
 C24A-C22A \\sim C22A-C42A \\sim C42A-C24A
 with sigma of 0.02
 C22A-C21A \\sim C22A-C23A \\sim C22A-C7A
 with sigma of 0.02
 C7A-C21A \\sim C21A-C23A \\sim C23A-C7A
 with sigma of 0.02
 C19A-C20A \\sim C19A-C18A \\sim C19A-C6A
 with sigma of 0.02
 C20A-C18A \\sim C18A-C6A \\sim C6A-C20A
 with sigma of 0.02
 C18A-C19A \\sim C18A-C17A \\sim C18A-C36A
 with sigma of 0.02
 C19A-C17A \\sim C17A-C36A \\sim C36A-C19A
 with sigma of 0.02
 C17A-C18A \\sim C17A-C16A \\sim C17A-C4A
 with sigma of 0.02
 C16A-C18A \\sim C18A-C4A \\sim C4A-C16A
 with sigma of 0.02
 C14A-C15A \\sim C14A-C13A \\sim C14A-C3A
 with sigma of 0.02
 C15A-C13A \\sim C13A-C3A \\sim C3A-C15A
 with sigma of 0.02
 C27A-C28A \\sim C27A-C26A \\sim C27A-C46A
 with sigma of 0.02
 C28A-C26A \\sim C26A-C46A \\sim C46A-C28A
 with sigma of 0.02
 C44A-C25A \\sim C44A-C43A \\sim C44A-C45A
 with sigma of 0.02
 C25A-C43A \\sim C43A-C45A \\sim C45A-C25A
 with sigma of 0.02
 C41A-C21A \\sim C41A-C39A \\sim C40A-C42A \\sim C40A-C59A
 with sigma of 0.02
 C38A-C36A \\sim C38A-C55A \\sim C37A-C39A \\sim C37A-C20A
 with sigma of 0.02
 C35A-C16A \\sim C35A-C33A \\sim C34A-C36A \\sim C34A-C54A
 with sigma of 0.02
 C31A-C50A \\sim C31A-C32A \\sim C31A-C30A
 with sigma of 0.02
 C30A-C32A \\sim C32A-C50A \\sim C50A-C30A
 with sigma of 0.02
 C48A-C29A \\sim C48A-C47A \\sim C48A-C49A
 with sigma of 0.02
 C29A-C47A \\sim C47A-C49A \\sim C49A-C29A
 with sigma of 0.02
 C61A-C62A \\sim C61A-C60A \\sim C61A-C72A
 with sigma of 0.02
 C62A-C60A \\sim C60A-C72A \\sim C72A-C62A
 with sigma of 0.02
 C53A-C54A \\sim C53A-C68A \\sim C53A-C52A
 with sigma of 0.02
 C58A-C59A \\sim C58A-C57A \\sim C58A-C71A
 with sigma of 0.02
 C59A-C57A \\sim C57A-C71A \\sim C71A-C59A
 with sigma of 0.02
 C57A-C58A \\sim C57A-C56A \\sim C57A-C39A
 with sigma of 0.02
 C58A-C56A \\sim C56A-C39A \\sim C39A-C58A
 with sigma of 0.02
 C56A-C57A \\sim C56A-C55A \\sim C56A-C69A
 with sigma of 0.02
 C57A-C55A \\sim C55A-C69A \\sim C69A-C57A
 with sigma of 0.02
 C53A-C54A \\sim C53A-C52A \\sim C53A-C68A
 with sigma of 0.02
 C54A-C52A \\sim C52A-C68A \\sim C68A-C54A
 with sigma of 0.02
 C52A-C53A \\sim C52A-C51A \\sim C52A-C33A
 with sigma of 0.02
 C53A-C51A \\sim C51A-C33A \\sim C33A-C53A
 with sigma of 0.02
 C64A-C63A \\sim C64A-C73A \\sim C64A-C65A
 with sigma of 0.02
 C65A-C63A \\sim C63A-C73A \\sim C73A-C65A
 with sigma of 0.02
 C66A-C68A \\sim C66A-C74A \\sim C67A-C51A \\sim C67A-C65A
 with sigma of 0.02
3. Restrained planarity
 C45A, C46A, C47A, C62A, C63A
 with sigma of 0.1
 C35A, C36A, C37A, C54A, C55A
 with sigma of 0.1
 C67A, C68A, C69A, C70A, C74A
 with sigma of 0.1
 C70A, C71A, C72A, C73A, C74A
 with sigma of 0.1
 C49A, C50A, C51A, C65A, C66A
 with sigma of 0.1
 C41A, C42A, C43A, C59A, C60A
 with sigma of 0.1
 C9A, C10A, C24A, C25A, C26A
 with sigma of 0.1
 C12A, C13A, C28A, C29A, C30A
 with sigma of 0.1
 C20A, C21A, C38A, C39A, C40A
 with sigma of 0.1
 C15A, C16A, C32A, C33A, C34A
 with sigma of 0.1
 C1A, C5A, C6A, C7A, C8A
 with sigma of 0.1
 C1A, C2A, C3A, C4A, C5A
 with sigma of 0.1
4. Uiso/Uaniso restraints and constraints
C1A \\sim C2A \\sim C3A \\sim C4A \\sim C5A \\sim C6A \\sim C7A \\sim C8A \\sim
C9A \\sim C10A \\sim C11A \\sim C12A \\sim C13A \\sim C14A \\sim C15A \\sim
C16A \\sim C17A \\sim C18A \\sim C19A \\sim C20A \\sim C21A \\sim C22A \\sim
C23A \\sim C24A \\sim C25A \\sim C26A \\sim C27A \\sim C28A \\sim C29A \\sim
C30A \\sim C31A \\sim C32A \\sim C33A \\sim C34A \\sim C35A \\sim C36A \\sim
C37A \\sim C38A \\sim C39A \\sim C40A \\sim C41A \\sim C42A \\sim C43A \\sim
C44A \\sim C45A \\sim C46A \\sim C47A \\sim C48A \\sim C49A \\sim C50A \\sim
C51A \\sim C52A \\sim C53A \\sim C54A \\sim C55A \\sim C56A \\sim C57A \\sim
C58A \\sim C59A \\sim C60A \\sim C61A \\sim C62A \\sim C63A \\sim C64A \\sim
C65A \\sim C66A \\sim C67A \\sim C68A \\sim C69A \\sim C70A \\sim C71A \\sim
C72A \\sim C73A \\sim C74A: within 2A with sigma of 0.008 and sigma for
terminal atoms of 0.016
Dy1A \\sim Dy2A \\sim Dy3A: within 2A with sigma of 0.01 and sigma for terminal
atoms of 0.02
Uanis(C2A) \\sim Ueq, Uanis(C1A) \\sim Ueq: with sigma of 0.005 and sigma for
terminal atoms of 0.01
Uanis(C2A) = Uanis(C1A)
5. Others
 Sof(Dy2B)=1-FVAR(1)
 Sof(Dy1B)=FVAR(1)
 Fixed Sof: Dy1A(0.5) Dy2A(0.35) Dy3A(0.15)
6.a Secondary CH2 refined with riding coordinates:
 C5P(H5PA,H5PB), C8P(H8PA,H8PB), C14P(H14A,H14B), C17P(H17A,H17B), C23P(H23A,
 H23B), C26P(H26A,H26B), C32P(H32A,H32B), C35P(H35A,H35B)
6.b Aromatic/amide H refined with riding coordinates:
 C2P(H2P), C11P(H11P), C20P(H20P), C29P(H29P), C1S(H1S), C2S(H2S), C3S(H3S),
 C4S(H4S), C5S(H5S), C6S(H6S)
6.c Idealised Me refined as rotating group:
 C6P(H6PA,H6PB,H6PC), C9P(H9PA,H9PB,H9PC), C15P(H15A,H15B,H15C), C18P(H18A,
 H18B,H18C), C24P(H24A,H24B,H24C), C27P(H27A,H27B,H27C), C33P(H33A,H33B,H33C),
 C36P(H36A,H36B,H36C)
;
_atom_sites_solution_hydrogens   geom
_atom_sites_solution_primary     ?
_atom_sites_solution_secondary   ?
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
Dy1A Dy 0.54330(7) 0.48821(9) 0.20165(5) 0.0426(4) Uani 0.5 1 d . U P . .
Dy1B Dy 0.77339(6) 0.48068(8) 0.21661(5) 0.0446(3) Uani 0.528(2) 1 d . . P . .
Dy2A Dy 0.54820(10) 0.50807(13) 0.19507(8) 0.0488(6) Uani 0.35 1 d . U P . .
Dy2B Dy 0.77598(8) 0.50709(12) 0.22077(6) 0.0634(5) Uani 0.472(2) 1 d . . P . .
Dy3A Dy 0.5454(2) 0.4690(3) 0.18896(17) 0.0464(11) Uani 0.15 1 d . U P . .
O1 O 0.6600(3) 0.4918(3) 0.20631(19) 0.0268(12) Uani 1 1 d . . . . .
C1A C 0.4081(7) 0.5017(4) 0.1935(3) 0.1585(16) Uani 1 1 d D U . . .
C2A C 0.4165(7) 0.4389(5) 0.1586(3) 0.1585(16) Uani 1 1 d D U . . .
C3A C 0.4515(6) 0.3732(5) 0.1905(3) 0.151(2) Uani 1 1 d D U . . .
C4A C 0.4682(6) 0.3961(5) 0.2458(3) 0.146(2) Uani 1 1 d D U . . .
C5A C 0.4415(7) 0.4749(4) 0.2474(3) 0.145(2) Uani 1 1 d D U . . .
C6A C 0.4857(6) 0.5375(5) 0.2763(4) 0.142(2) Uani 1 1 d D U . . .
C7A C 0.4788(6) 0.6046(5) 0.2422(3) 0.147(2) Uani 1 1 d D U . . .
C8A C 0.4328(7) 0.5817(5) 0.1905(3) 0.156(2) Uani 1 1 d D U . . .
C9A C 0.4501(6) 0.6070(6) 0.1455(3) 0.163(2) Uani 1 1 d D U . . .
C10A C 0.4489(6) 0.5503(5) 0.1035(3) 0.165(2) Uani 1 1 d D U . . .
C11A C 0.4343(8) 0.4647(6) 0.1090(5) 0.164(2) Uani 1 1 d D U . . .
C12A C 0.4843(5) 0.4107(5) 0.0894(4) 0.163(2) Uani 1 1 d D U . . .
C13A C 0.5132(5) 0.3378(6) 0.1193(3) 0.158(2) Uani 1 1 d D U . . .
C14A C 0.5026(7) 0.3209(8) 0.1707(4) 0.153(2) Uani 1 1 d D U . . .
C15A C 0.5674(5) 0.2866(7) 0.2118(3) 0.146(2) Uani 1 1 d D U . . .
C16A C 0.5864(4) 0.3109(6) 0.2682(3) 0.138(2) Uani 1 1 d D U . . .
C17A C 0.5426(5) 0.3743(6) 0.2846(4) 0.138(2) Uani 1 1 d D U . . .
C18A C 0.5844(5) 0.4343(5) 0.3232(4) 0.128(2) Uani 1 1 d D U . . .
C19A C 0.5599(5) 0.5170(5) 0.3152(6) 0.134(2) Uani 1 1 d D U . . .
C20A C 0.6168(4) 0.5798(5) 0.3301(4) 0.136(2) Uani 1 1 d D U . . .
C21A C 0.6085(4) 0.6496(6) 0.2963(3) 0.140(2) Uani 1 1 d D U . . .
C22A C 0.5445(5) 0.6596(7) 0.2488(3) 0.143(2) Uani 1 1 d D U . . .
C23A C 0.5566(5) 0.6945(8) 0.2013(3) 0.144(2) Uani 1 1 d D U . . .
C24A C 0.5113(5) 0.6637(6) 0.1494(3) 0.156(2) Uani 1 1 d D U . . .
C25A C 0.5464(5) 0.6459(6) 0.1067(4) 0.159(2) Uani 1 1 d D U . . .
C26A C 0.5113(5) 0.5727(6) 0.0802(4) 0.164(2) Uani 1 1 d D U . . .
C27A C 0.5548(6) 0.5198(6) 0.0598(7) 0.161(2) Uani 1 1 d D U . . .
C28A C 0.5414(5) 0.4383(5) 0.0628(4) 0.160(2) Uani 1 1 d D U . . .
C29A C 0.6057(5) 0.3792(6) 0.0750(4) 0.155(2) Uani 1 1 d D U . . .
C30A C 0.5889(5) 0.3177(6) 0.1105(4) 0.152(2) Uani 1 1 d D U . . .
C31A C 0.6505(5) 0.2813(9) 0.1503(4) 0.144(2) Uani 1 1 d D U . . .
C32A C 0.6387(5) 0.2645(8) 0.2008(3) 0.142(2) Uani 1 1 d D U . . .
C33A C 0.7018(4) 0.2752(7) 0.2504(3) 0.142(2) Uani 1 1 d D U . . .
C34A C 0.6686(5) 0.3028(6) 0.2911(3) 0.139(2) Uani 1 1 d D U . . .
C35A C 0.7083(5) 0.3564(5) 0.3292(4) 0.140(2) Uani 1 1 d D U . . .
C36A C 0.6693(4) 0.4210(4) 0.3459(4) 0.130(2) Uani 1 1 d D U . . .
C37A C 0.7213(5) 0.4876(5) 0.3584(5) 0.135(2) Uani 1 1 d D U . . .
C38A C 0.6971(5) 0.5611(5) 0.3509(4) 0.136(2) Uani 1 1 d D U . . .
C39A C 0.7402(4) 0.6198(5) 0.3302(4) 0.148(2) Uani 1 1 d D U . . .
C40A C 0.6851(5) 0.6746(6) 0.2973(3) 0.142(2) Uani 1 1 d D U . . .
C41A C 0.6977(5) 0.7088(7) 0.2536(3) 0.144(2) Uani 1 1 d D U . . .
C42A C 0.6353(4) 0.7174(7) 0.2040(3) 0.142(2) Uani 1 1 d D U . . .
C43A C 0.6674(5) 0.7048(7) 0.1589(3) 0.148(2) Uani 1 1 d D U . . .
C44A C 0.6234(5) 0.6662(8) 0.1118(5) 0.153(2) Uani 1 1 d D U . . .
C45A C 0.6656(5) 0.6170(5) 0.0848(4) 0.150(2) Uani 1 1 d D U . . .
C46A C 0.6297(5) 0.5427(5) 0.0603(5) 0.154(2) Uani 1 1 d D U . . .
C47A C 0.6917(5) 0.4812(5) 0.0675(5) 0.147(2) Uani 1 1 d D U . . .
C48A C 0.6803(5) 0.4012(6) 0.0771(6) 0.145(2) Uani 1 1 d D U . . .
C49A C 0.7401(5) 0.3601(5) 0.1123(3) 0.140(2) Uani 1 1 d D U . . .
C50A C 0.7265(5) 0.3021(6) 0.1504(3) 0.143(2) Uani 1 1 d D U . . .
C51A C 0.7905(5) 0.3061(6) 0.1984(3) 0.151(2) Uani 1 1 d D U . . .
C52A C 0.7784(5) 0.2997(8) 0.2502(3) 0.150(2) Uani 1 1 d D U . . .
C53A C 0.8200(6) 0.3527(7) 0.2913(4) 0.159(2) Uani 1 1 d D U . . .
C54A C 0.7834(4) 0.3824(5) 0.3296(4) 0.151(2) Uani 1 1 d D U . . .
C55A C 0.7918(4) 0.4641(5) 0.3474(5) 0.151(2) Uani 1 1 d D U . . .
C56A C 0.8425(6) 0.5201(5) 0.3321(5) 0.164(2) Uani 1 1 d D U . . .
C57A C 0.8120(5) 0.5992(5) 0.3173(4) 0.160(2) Uani 1 1 d D U . . .
C58A C 0.8292(6) 0.6415(7) 0.2742(4) 0.161(2) Uani 1 1 d D U . . .
C59A C 0.7689(4) 0.6917(7) 0.2402(3) 0.151(2) Uani 1 1 d D U . . .
C60A C 0.7510(5) 0.6887(8) 0.1812(3) 0.146(2) Uani 1 1 d D U . . .
C61A C 0.7915(6) 0.6410(7) 0.1548(4) 0.149(2) Uani 1 1 d D U . . .
C62A C 0.7486(5) 0.6029(5) 0.1090(4) 0.145(2) Uani 1 1 d D U . . .
C63A C 0.7653(5) 0.5200(5) 0.0953(5) 0.144(2) Uani 1 1 d D U . . .
C64A C 0.8265(7) 0.4798(6) 0.1300(5) 0.147(2) Uani 1 1 d D U . . .
C65A C 0.8126(6) 0.4003(5) 0.1386(3) 0.144(2) Uani 1 1 d D U . . .
C66A C 0.8460(6) 0.3623(6) 0.1892(3) 0.151(2) Uani 1 1 d D U . . .
C67A C 0.8906(7) 0.4043(5) 0.2300(3) 0.158(2) Uani 1 1 d D U . . .
C68A C 0.8775(6) 0.4048(5) 0.2807(3) 0.165(2) Uani 1 1 d D U . . .
C69A C 0.8902(6) 0.4844(5) 0.3014(3) 0.167(3) Uani 1 1 d D U . . .
C70A C 0.9117(7) 0.5307(4) 0.2637(3) 0.172(2) Uani 1 1 d D U . . .
C71A C 0.8768(6) 0.6028(5) 0.2445(3) 0.166(2) Uani 1 1 d D U . . .
C72A C 0.8543(7) 0.6005(5) 0.1877(3) 0.158(2) Uani 1 1 d D U . . .
C73A C 0.8720(8) 0.5230(5) 0.1724(3) 0.156(2) Uani 1 1 d D U . . .
C74A C 0.9130(7) 0.4827(4) 0.2198(3) 0.160(2) Uani 1 1 d D U . . .
Ni1P Ni 0.91285(6) 0.48796(7) 0.44949(4) 0.0234(3) Uani 1 1 d . . . . .
N1P N 0.9740(3) 0.4032(4) 0.4273(2) 0.0270(15) Uani 1 1 d . . . . .
N2P N 0.8470(3) 0.4037(4) 0.4676(2) 0.0265(14) Uani 1 1 d . . . . .
N3P N 0.8484(3) 0.5712(4) 0.4688(2) 0.0261(14) Uani 1 1 d . . . . .
N4P N 0.9763(3) 0.5707(3) 0.4288(2) 0.0219(13) Uani 1 1 d . . . . .
C1P C 0.9649(4) 0.3216(5) 0.4269(3) 0.0285(18) Uani 1 1 d . . . . .
C2P C 0.9084(4) 0.2837(5) 0.4446(3) 0.0316(18) Uani 1 1 d . . . . .
H2P H 0.907568 0.226427 0.443975 0.038 Uiso 1 1 calc R . . . .
C3P C 0.8535(4) 0.3217(5) 0.4631(3) 0.0281(17) Uani 1 1 d . . . . .
C4P C 0.7933(4) 0.2805(5) 0.4798(3) 0.035(2) Uani 1 1 d . . . . .
C5P C 0.7826(5) 0.1905(5) 0.4785(3) 0.043(2) Uani 1 1 d . . . . .
H5PA H 0.834094 0.164426 0.493216 0.052 Uiso 1 1 calc R . . . .
H5PB H 0.750062 0.175732 0.502304 0.052 Uiso 1 1 calc R . . . .
C6P C 0.7450(6) 0.1589(7) 0.4227(5) 0.069(3) Uani 1 1 d . . . . .
H6PA H 0.780241 0.166601 0.400230 0.103 Uiso 1 1 calc GR . . . .
H6PB H 0.696212 0.188114 0.406549 0.103 Uiso 1 1 calc GR . . . .
H6PC H 0.733799 0.101351 0.424644 0.103 Uiso 1 1 calc GR . . . .
C7P C 0.7490(4) 0.3378(5) 0.4932(3) 0.034(2) Uani 1 1 d . . . . .
C8P C 0.6782(5) 0.3274(6) 0.5119(4) 0.049(2) Uani 1 1 d . . . . .
H8PA H 0.674774 0.373048 0.535931 0.058 Uiso 1 1 calc R . . . .
H8PB H 0.683521 0.277261 0.533535 0.058 Uiso 1 1 calc R . . . .
C9P C 0.6046(5) 0.3235(9) 0.4663(5) 0.082(4) Uani 1 1 d . . . . .
H9PA H 0.608769 0.280437 0.441200 0.123 Uiso 1 1 calc GR . . . .
H9PB H 0.596094 0.375127 0.447017 0.123 Uiso 1 1 calc GR . . . .
H9PC H 0.560665 0.312236 0.480692 0.123 Uiso 1 1 calc GR . . . .
C10P C 0.7832(4) 0.4143(5) 0.4862(3) 0.0305(18) Uani 1 1 d . . . . .
C11P C 0.7541(4) 0.4876(5) 0.4960(3) 0.034(2) Uani 1 1 d . . . . .
H11P H 0.710149 0.487313 0.509606 0.041 Uiso 1 1 calc R . . . .
C12P C 0.7837(4) 0.5614(5) 0.4877(3) 0.0317(19) Uani 1 1 d . . . . .
C13P C 0.7516(4) 0.6384(5) 0.4957(3) 0.034(2) Uani 1 1 d . . . . .
C14P C 0.6806(5) 0.6496(6) 0.5155(3) 0.045(2) Uani 1 1 d . . . . .
H14A H 0.677226 0.603925 0.539442 0.055 Uiso 1 1 calc R . . . .
H14B H 0.686830 0.699625 0.537205 0.055 Uiso 1 1 calc R . . . .
C15P C 0.6061(5) 0.6543(9) 0.4700(5) 0.074(4) Uani 1 1 d . . . . .
H15A H 0.605679 0.704107 0.449402 0.111 Uiso 1 1 calc GR . . . .
H15B H 0.561690 0.654273 0.484987 0.111 Uiso 1 1 calc GR . . . .
H15C H 0.602452 0.607792 0.445968 0.111 Uiso 1 1 calc GR . . . .
C16P C 0.7962(4) 0.6948(5) 0.4830(3) 0.0337(19) Uani 1 1 d . . . . .
C17P C 0.7883(5) 0.7853(6) 0.4846(4) 0.051(2) Uani 1 1 d . . . . .
H17A H 0.758785 0.799374 0.510425 0.061 Uiso 1 1 calc R . . . .
H17B H 0.840924 0.809496 0.498229 0.061 Uiso 1 1 calc R . . . .
C18P C 0.7481(7) 0.8208(7) 0.4307(5) 0.076(4) Uani 1 1 d . . . . .
H18A H 0.779424 0.811140 0.405712 0.113 Uiso 1 1 calc GR . . . .
H18B H 0.741726 0.878930 0.434535 0.113 Uiso 1 1 calc GR . . . .
H18C H 0.696832 0.795594 0.416253 0.113 Uiso 1 1 calc GR . . . .
C19P C 0.8563(4) 0.6527(5) 0.4662(3) 0.0290(18) Uani 1 1 d . . . . .
C20P C 0.9118(4) 0.6921(5) 0.4481(3) 0.0294(18) Uani 1 1 d . . . . .
H20P H 0.911623 0.749396 0.448161 0.035 Uiso 1 1 calc R . . . .
C21P C 0.9682(4) 0.6530(5) 0.4298(3) 0.0290(18) Uani 1 1 d . . . . .
C22P C 1.0237(4) 0.6947(5) 0.4094(3) 0.0289(18) Uani 1 1 d . . . . .
C23P C 1.0283(5) 0.7846(5) 0.4027(3) 0.042(2) Uani 1 1 d . . . . .
H23A H 1.016509 0.811866 0.433586 0.051 Uiso 1 1 calc R . . . .
H23B H 1.082033 0.799384 0.403203 0.051 Uiso 1 1 calc R . . . .
C24P C 0.9722(6) 0.8136(6) 0.3505(4) 0.056(3) Uani 1 1 d . . . . .
H24A H 0.973384 0.776722 0.321025 0.084 Uiso 1 1 calc GR . . . .
H24B H 0.987265 0.867766 0.342160 0.084 Uiso 1 1 calc GR . . . .
H24C H 0.919348 0.815175 0.354368 0.084 Uiso 1 1 calc GR . . . .
C25P C 1.0682(4) 0.6364(5) 0.3963(3) 0.0311(18) Uani 1 1 d . . . . .
C26P C 1.1337(4) 0.6465(5) 0.3702(3) 0.0364(19) Uani 1 1 d . . . . .
H26A H 1.175288 0.606933 0.386314 0.044 Uiso 1 1 calc R . . . .
H26B H 1.156223 0.701124 0.378449 0.044 Uiso 1 1 calc R . . . .
C27P C 1.1065(5) 0.6348(6) 0.3088(3) 0.045(2) Uani 1 1 d . . . . .
H27A H 1.068882 0.677042 0.292263 0.067 Uiso 1 1 calc GR . . . .
H27B H 1.081771 0.581873 0.300302 0.067 Uiso 1 1 calc GR . . . .
H27C H 1.151470 0.638117 0.294439 0.067 Uiso 1 1 calc GR . . . .
C28P C 1.0389(4) 0.5604(5) 0.4077(3) 0.0266(17) Uani 1 1 d . . . . .
C29P C 1.0672(4) 0.4870(5) 0.3986(3) 0.0308(18) Uani 1 1 d . . . . .
H29P H 1.111802 0.486696 0.385670 0.037 Uiso 1 1 calc R . . . .
C30P C 1.0370(4) 0.4145(5) 0.4063(3) 0.0255(17) Uani 1 1 d . . . . .
C31P C 1.0642(4) 0.3391(5) 0.3929(3) 0.0327(19) Uani 1 1 d . . . . .
C32P C 1.1296(4) 0.3300(5) 0.3668(3) 0.0345(19) Uani 1 1 d . . . . .
H32A H 1.171908 0.368164 0.384215 0.041 Uiso 1 1 calc R . . . .
H32B H 1.151075 0.274719 0.373613 0.041 Uiso 1 1 calc R . . . .
C33P C 1.1038(5) 0.3453(6) 0.3063(3) 0.050(2) Uani 1 1 d . . . . .
H33A H 1.059687 0.310073 0.289058 0.075 Uiso 1 1 calc GR . . . .
H33B H 1.147099 0.333984 0.291270 0.075 Uiso 1 1 calc GR . . . .
H33C H 1.087884 0.401743 0.299411 0.075 Uiso 1 1 calc GR . . . .
C34P C 1.0204(4) 0.2808(5) 0.4058(3) 0.0336(19) Uani 1 1 d . . . . .
C35P C 1.0227(5) 0.1911(5) 0.3975(3) 0.038(2) Uani 1 1 d . . . . .
H35A H 1.075968 0.175196 0.397508 0.046 Uiso 1 1 calc R . . . .
H35B H 1.010620 0.163122 0.428079 0.046 Uiso 1 1 calc R . . . .
C36P C 0.9656(6) 0.1646(7) 0.3452(4) 0.060(3) Uani 1 1 d . . . . .
H36A H 0.976098 0.193686 0.314884 0.089 Uiso 1 1 calc GR . . . .
H36B H 0.912456 0.176348 0.346155 0.089 Uiso 1 1 calc GR . . . .
H36C H 0.971181 0.106538 0.340345 0.089 Uiso 1 1 calc GR . . . .
C1S C 0.2940(7) 0.4911(6) 0.3388(6) 0.070(4) Uani 1 1 d . . . . .
H1S H 0.240839 0.491398 0.317732 0.084 Uiso 1 1 calc R . . . .
C2S C 0.3315(7) 0.5626(6) 0.3581(6) 0.076(4) Uani 1 1 d . . . . .
H2S H 0.303995 0.612080 0.349795 0.091 Uiso 1 1 calc R . . . .
C3S C 0.4068(6) 0.5629(6) 0.3885(5) 0.069(3) Uani 1 1 d . . . . .
H3S H 0.433420 0.612223 0.400030 0.083 Uiso 1 1 calc R . . . .
C4S C 0.4444(7) 0.4897(7) 0.4026(5) 0.069(3) Uani 1 1 d . . . . .
H4S H 0.495503 0.488218 0.427080 0.082 Uiso 1 1 calc R . . . .
C5S C 0.4069(6) 0.4167(6) 0.3804(5) 0.064(3) Uani 1 1 d . . . . .
H5S H 0.433592 0.366503 0.387205 0.077 Uiso 1 1 calc R . . . .
C6S C 0.3334(7) 0.4211(6) 0.3500(5) 0.064(3) Uani 1 1 d . . . . .
H6S H 0.307324 0.372662 0.335414 0.077 Uiso 1 1 calc R . . . .
S1S S 0.2324(3) 0.5817(3) 0.2072(2) 0.1333(16) Uani 1 1 d . . . . .
S2S S 0.2265(3) 0.3981(3) 0.2016(2) 0.1319(17) Uani 1 1 d . . . . .
C7S C 0.2282(8) 0.4884(8) 0.2047(6) 0.083(4) Uani 1 1 d . . . . .


_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
Dy1A O1 2.059(5) . ?
Dy1A C1A 2.380(12) . ?
Dy1A C2A 2.367(11) . ?
Dy1A C3A 2.480(11) . ?
Dy1A C4A 2.514(12) . ?
Dy1A C5A 2.449(12) . ?
Dy1A C6A 2.565(11) . ?
Dy1A C7A 2.617(11) . ?
Dy1A C8A 2.465(12) . ?
Dy1A C9A 2.715(10) . ?
Dy1A C10A 2.800(9) . ?
Dy1A C11A 2.640(13) . ?
Dy1B O1 1.980(5) . ?
Dy1B C64A 2.666(15) . ?
Dy1B C65A 2.669(10) . ?
Dy1B C66A 2.564(12) . ?
Dy1B C67A 2.391(12) . ?
Dy1B C68A 2.451(9) . ?
Dy1B C69A 2.551(10) . ?
Dy1B C70A 2.562(12) . ?
Dy1B C71A 2.699(10) . ?
Dy1B C72A 2.689(11) . ?
Dy1B C73A 2.464(15) . ?
Dy1B C74A 2.478(13) . ?
Dy2A Dy3A 0.665(5) . ?
Dy2A O1 1.957(5) . ?
Dy2A C1A 2.501(12) . ?
Dy2A C2A 2.546(11) . ?
Dy2A C3A 2.810(11) . ?
Dy2A C5A 2.693(12) . ?
Dy2A C6A 2.688(11) . ?
Dy2A C7A 2.540(11) . ?
Dy2A C8A 2.375(13) . ?
Dy2A C9A 2.474(10) . ?
Dy2A C10A 2.607(9) . ?
Dy2A C11A 2.643(13) . ?
Dy2B O1 2.019(5) . ?
Dy2B C56A 2.777(12) . ?
Dy2B C58A 2.649(12) . ?
Dy2B C64A 2.777(15) . ?
Dy2B C67A 2.626(12) . ?
Dy2B C68A 2.636(9) . ?
Dy2B C69A 2.486(10) . ?
Dy2B C70A 2.395(12) . ?
Dy2B C71A 2.349(11) . ?
Dy2B C72A 2.406(12) . ?
Dy2B C73A 2.412(15) . ?
Dy2B C74A 2.494(12) . ?
Dy3A O1 2.006(6) . ?
Dy3A C1A 2.554(13) . ?
Dy3A C2A 2.269(12) . ?
Dy3A C3A 2.322(12) . ?
Dy3A C4A 2.585(12) . ?
Dy3A C5A 2.711(13) . ?
Dy3A C8A 2.759(13) . ?
Dy3A C10A 2.730(10) . ?
Dy3A C11A 2.417(14) . ?
Dy3A C12A 2.663(10) . ?
Dy3A C14A 2.577(15) . ?
C1A C2A 1.413(10) . ?
C1A C5A 1.415(10) . ?
C1A C8A 1.407(10) . ?
C2A C3A 1.399(10) . ?
C2A C11A 1.466(11) . ?
C3A C4A 1.420(10) . ?
C3A C14A 1.455(12) . ?
C4A C5A 1.397(10) . ?
C4A C17A 1.463(10) . ?
C5A C6A 1.384(10) . ?
C6A C7A 1.402(10) . ?
C6A C19A 1.455(10) . ?
C7A C8A 1.402(9) . ?
C7A C22A 1.459(11) . ?
C8A C9A 1.349(12) . ?
C9A C10A 1.429(10) . ?
C9A C24A 1.426(10) . ?
C10A C11A 1.459(11) . ?
C10A C26A 1.462(11) . ?
C11A C12A 1.456(12) . ?
C12A C13A 1.449(11) . ?
C12A C28A 1.458(11) . ?
C13A C14A 1.418(11) . ?
C13A C30A 1.476(11) . ?
C14A C15A 1.443(11) . ?
C15A C16A 1.449(10) . ?
C15A C32A 1.433(11) . ?
C16A C17A 1.446(10) . ?
C16A C34A 1.426(9) . ?
C17A C18A 1.452(10) . ?
C18A C19A 1.438(10) . ?
C18A C36A 1.481(9) . ?
C19A C20A 1.430(10) . ?
C20A C21A 1.431(10) . ?
C20A C38A 1.416(9) . ?
C21A C22A 1.425(9) . ?
C21A C40A 1.426(10) . ?
C22A C23A 1.425(11) . ?
C23A C24A 1.441(10) . ?
C23A C42A 1.443(10) . ?
C24A C25A 1.446(11) . ?
C25A C26A 1.444(11) . ?
C25A C44A 1.390(11) . ?
C26A C27A 1.375(12) . ?
C27A C28A 1.378(11) . ?
C27A C46A 1.391(11) . ?
C28A C29A 1.475(10) . ?
C29A C30A 1.456(11) . ?
C29A C48A 1.371(11) . ?
C30A C31A 1.408(11) . ?
C31A C32A 1.406(11) . ?
C31A C50A 1.403(11) . ?
C32A C33A 1.452(9) . ?
C33A C34A 1.423(10) . ?
C33A C52A 1.432(10) . ?
C34A C35A 1.362(11) . ?
C35A C36A 1.412(10) . ?
C35A C54A 1.410(10) . ?
C36A C37A 1.419(10) . ?
C37A C38A 1.291(13) . ?
C37A C55A 1.425(10) . ?
C38A C39A 1.438(10) . ?
C39A C40A 1.426(10) . ?
C39A C57A 1.459(10) . ?
C40A C41A 1.336(11) . ?
C41A C42A 1.442(9) . ?
C41A C59A 1.444(10) . ?
C42A C43A 1.452(10) . ?
C43A C44A 1.398(11) . ?
C43A C60A 1.464(10) . ?
C44A C45A 1.423(12) . ?
C45A C46A 1.448(10) . ?
C45A C62A 1.455(10) . ?
C46A C47A 1.479(10) . ?
C47A C48A 1.378(11) . ?
C47A C63A 1.455(10) . ?
C48A C49A 1.367(11) . ?
C49A C50A 1.445(11) . ?
C49A C65A 1.443(10) . ?
C50A C51A 1.425(10) . ?
C51A C52A 1.414(10) . ?
C51A C66A 1.433(11) . ?
C52A C53A 1.413(11) . ?
C53A C54A 1.419(11) . ?
C53A C68A 1.431(11) . ?
C54A C55A 1.426(10) . ?
C55A C56A 1.431(10) . ?
C56A C57A 1.430(10) . ?
C56A C69A 1.448(11) . ?
C57A C58A 1.421(11) . ?
C58A C59A 1.442(10) . ?
C58A C71A 1.449(11) . ?
C59A C60A 1.460(10) . ?
C60A C61A 1.379(12) . ?
C61A C62A 1.363(11) . ?
C61A C72A 1.372(11) . ?
C62A C63A 1.471(10) . ?
C63A C64A 1.372(10) . ?
C64A C65A 1.371(11) . ?
C64A C73A 1.362(11) . ?
C65A C66A 1.416(10) . ?
C66A C67A 1.321(13) . ?
C67A C68A 1.390(10) . ?
C67A C74A 1.408(10) . ?
C68A C69A 1.417(10) . ?
C69A C70A 1.376(10) . ?
C70A C71A 1.376(10) . ?
C70A C74A 1.388(10) . ?
C71A C72A 1.401(10) . ?
C72A C73A 1.409(11) . ?
C73A C74A 1.401(10) . ?
Ni1P N1P 1.966(6) . ?
Ni1P N2P 1.970(6) . ?
Ni1P N3P 1.954(6) . ?
Ni1P N4P 1.953(6) . ?
N1P C1P 1.364(10) . ?
N1P C30P 1.397(9) . ?
N2P C3P 1.374(10) . ?
N2P C10P 1.371(10) . ?
N3P C12P 1.389(10) . ?
N3P C19P 1.363(10) . ?
N4P C21P 1.374(10) . ?
N4P C28P 1.390(9) . ?
C1P C2P 1.377(11) . ?
C1P C34P 1.434(11) . ?
C2P C3P 1.364(11) . ?
C3P C4P 1.443(11) . ?
C4P C5P 1.504(12) . ?
C4P C7P 1.344(12) . ?
C5P C6P 1.496(14) . ?
C7P C8P 1.493(11) . ?
C7P C10P 1.442(11) . ?
C8P C9P 1.493(13) . ?
C10P C11P 1.376(12) . ?
C11P C12P 1.375(12) . ?
C12P C13P 1.440(12) . ?
C13P C14P 1.510(11) . ?
C13P C16P 1.333(12) . ?
C14P C15P 1.502(12) . ?
C16P C17P 1.510(13) . ?
C16P C19P 1.450(11) . ?
C17P C18P 1.489(15) . ?
C19P C20P 1.379(11) . ?
C20P C21P 1.391(11) . ?
C21P C22P 1.430(11) . ?
C22P C23P 1.506(12) . ?
C22P C25P 1.357(11) . ?
C23P C24P 1.506(12) . ?
C25P C26P 1.519(11) . ?
C25P C28P 1.428(11) . ?
C26P C27P 1.527(11) . ?
C28P C29P 1.365(11) . ?
C29P C30P 1.358(11) . ?
C30P C31P 1.420(11) . ?
C31P C32P 1.517(11) . ?
C31P C34P 1.346(11) . ?
C32P C33P 1.514(11) . ?
C34P C35P 1.505(12) . ?
C35P C36P 1.503(12) . ?
C1S C2S 1.383(15) . ?
C1S C6S 1.346(15) . ?
C2S C3S 1.351(16) . ?
C3S C4S 1.386(16) . ?
C4S C5S 1.422(15) . ?
C5S C6S 1.327(15) . ?
S1S C7S 1.551(15) . ?
S2S C7S 1.499(15) . ?

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 Dy1A C1A 172.8(2) . . ?
O1 Dy1A C2A 149.0(3) . . ?
O1 Dy1A C3A 131.0(3) . . ?
O1 Dy1A C4A 131.1(2) . . ?
O1 Dy1A C5A 149.1(2) . . ?
O1 Dy1A C6A 124.6(2) . . ?
O1 Dy1A C7A 120.9(2) . . ?
O1 Dy1A C8A 139.1(3) . . ?
O1 Dy1A C9A 117.9(2) . . ?
O1 Dy1A C10A 112.4(2) . . ?
O1 Dy1A C11A 122.0(3) . . ?
C1A Dy1A C3A 55.9(3) . . ?
C1A Dy1A C4A 55.5(3) . . ?
C1A Dy1A C5A 34.0(2) . . ?
C1A Dy1A C6A 54.3(2) . . ?
C1A Dy1A C7A 53.9(2) . . ?
C1A Dy1A C8A 33.7(2) . . ?
C1A Dy1A C9A 55.3(2) . . ?
C1A Dy1A C10A 63.4(3) . . ?
C1A Dy1A C11A 57.7(3) . . ?
C2A Dy1A C1A 34.6(2) . . ?
C2A Dy1A C3A 33.5(2) . . ?
C2A Dy1A C4A 55.6(3) . . ?
C2A Dy1A C5A 56.5(3) . . ?
C2A Dy1A C6A 85.5(3) . . ?
C2A Dy1A C7A 88.1(3) . . ?
C2A Dy1A C8A 62.2(3) . . ?
C2A Dy1A C9A 69.0(3) . . ?
C2A Dy1A C10A 57.0(3) . . ?
C2A Dy1A C11A 33.5(3) . . ?
C3A Dy1A C4A 33.0(2) . . ?
C3A Dy1A C6A 86.3(3) . . ?
C3A Dy1A C7A 105.1(3) . . ?
C3A Dy1A C9A 102.2(3) . . ?
C3A Dy1A C10A 88.3(3) . . ?
C3A Dy1A C11A 59.2(3) . . ?
C4A Dy1A C6A 58.1(3) . . ?
C4A Dy1A C7A 85.0(3) . . ?
C4A Dy1A C9A 110.8(3) . . ?
C4A Dy1A C10A 111.6(3) . . ?
C4A Dy1A C11A 88.0(3) . . ?
C5A Dy1A C3A 55.0(3) . . ?
C5A Dy1A C4A 32.7(2) . . ?
C5A Dy1A C6A 31.9(2) . . ?
C5A Dy1A C7A 53.0(2) . . ?
C5A Dy1A C8A 55.1(3) . . ?
C5A Dy1A C9A 83.8(3) . . ?
C5A Dy1A C10A 97.3(3) . . ?
C5A Dy1A C11A 87.8(3) . . ?
C6A Dy1A C7A 31.4(2) . . ?
C6A Dy1A C9A 81.3(3) . . ?
C6A Dy1A C10A 106.9(3) . . ?
C6A Dy1A C11A 111.8(3) . . ?
C7A Dy1A C9A 53.3(2) . . ?
C7A Dy1A C10A 82.4(2) . . ?
C7A Dy1A C11A 100.0(3) . . ?
C8A Dy1A C3A 89.3(3) . . ?
C8A Dy1A C4A 85.3(3) . . ?
C8A Dy1A C6A 53.4(2) . . ?
C8A Dy1A C7A 31.8(2) . . ?
C8A Dy1A C9A 29.7(3) . . ?
C8A Dy1A C10A 53.7(2) . . ?
C8A Dy1A C11A 68.2(3) . . ?
C9A Dy1A C10A 30.0(2) . . ?
C11A Dy1A C9A 56.3(3) . . ?
C11A Dy1A C10A 30.9(2) . . ?
O1 Dy1B C64A 119.2(3) . . ?
O1 Dy1B C65A 115.4(2) . . ?
O1 Dy1B C66A 128.1(3) . . ?
O1 Dy1B C67A 153.2(3) . . ?
O1 Dy1B C68A 133.6(3) . . ?
O1 Dy1B C69A 132.0(3) . . ?
O1 Dy1B C70A 148.0(3) . . ?
O1 Dy1B C71A 124.4(2) . . ?
O1 Dy1B C72A 120.5(3) . . ?
O1 Dy1B C73A 139.1(3) . . ?
O1 Dy1B C74A 171.8(2) . . ?
C64A Dy1B C65A 29.8(2) . . ?
C64A Dy1B C71A 81.0(3) . . ?
C64A Dy1B C72A 54.6(3) . . ?
C65A Dy1B C71A 105.4(3) . . ?
C65A Dy1B C72A 83.1(3) . . ?
C66A Dy1B C64A 55.5(3) . . ?
C66A Dy1B C65A 31.3(2) . . ?
C66A Dy1B C71A 106.5(3) . . ?
C66A Dy1B C72A 97.7(3) . . ?
C67A Dy1B C64A 66.9(3) . . ?
C67A Dy1B C65A 55.5(3) . . ?
C67A Dy1B C66A 30.7(3) . . ?
C67A Dy1B C68A 33.3(2) . . ?
C67A Dy1B C69A 54.6(3) . . ?
C67A Dy1B C70A 54.1(3) . . ?
C67A Dy1B C71A 81.6(3) . . ?
C67A Dy1B C72A 84.9(3) . . ?
C67A Dy1B C73A 60.1(3) . . ?
C67A Dy1B C74A 33.6(2) . . ?
C68A Dy1B C64A 100.0(3) . . ?
C68A Dy1B C65A 86.3(3) . . ?
C68A Dy1B C66A 56.2(2) . . ?
C68A Dy1B C69A 32.8(2) . . ?
C68A Dy1B C70A 53.4(2) . . ?
C68A Dy1B C71A 82.9(3) . . ?
C68A Dy1B C72A 101.5(3) . . ?
C68A Dy1B C73A 87.1(3) . . ?
C68A Dy1B C74A 54.5(2) . . ?
C69A Dy1B C64A 108.3(3) . . ?
C69A Dy1B C65A 109.1(3) . . ?
C69A Dy1B C66A 84.2(3) . . ?
C69A Dy1B C70A 31.2(2) . . ?
C69A Dy1B C71A 54.8(3) . . ?
C69A Dy1B C72A 81.1(3) . . ?
C70A Dy1B C64A 82.4(3) . . ?
C70A Dy1B C65A 95.1(3) . . ?
C70A Dy1B C66A 83.1(3) . . ?
C70A Dy1B C71A 30.2(2) . . ?
C70A Dy1B C72A 50.7(2) . . ?
C72A Dy1B C71A 30.1(2) . . ?
C73A Dy1B C64A 30.5(3) . . ?
C73A Dy1B C65A 54.2(3) . . ?
C73A Dy1B C66A 66.6(3) . . ?
C73A Dy1B C69A 82.4(3) . . ?
C73A Dy1B C70A 53.3(3) . . ?
C73A Dy1B C71A 51.7(3) . . ?
C73A Dy1B C72A 31.3(2) . . ?
C73A Dy1B C74A 32.9(2) . . ?
C74A Dy1B C64A 55.1(3) . . ?
C74A Dy1B C65A 63.2(3) . . ?
C74A Dy1B C66A 55.4(2) . . ?
C74A Dy1B C69A 53.2(3) . . ?
C74A Dy1B C70A 31.9(2) . . ?
C74A Dy1B C71A 51.1(2) . . ?
C74A Dy1B C72A 51.7(2) . . ?
Dy3A Dy2A O1 84.5(4) . . ?
Dy3A Dy2A C1A 87.0(4) . . ?
Dy3A Dy2A C2A 58.3(4) . . ?
Dy3A Dy2A C3A 37.9(5) . . ?
Dy3A Dy2A C5A 84.5(5) . . ?
Dy3A Dy2A C6A 109.9(5) . . ?
Dy3A Dy2A C7A 135.5(5) . . ?
Dy3A Dy2A C8A 118.9(5) . . ?
Dy3A Dy2A C9A 122.0(4) . . ?
Dy3A Dy2A C10A 93.6(4) . . ?
Dy3A Dy2A C11A 63.2(4) . . ?
O1 Dy2A C1A 167.3(2) . . ?
O1 Dy2A C2A 142.3(3) . . ?
O1 Dy2A C3A 119.2(3) . . ?
O1 Dy2A C5A 137.8(3) . . ?
O1 Dy2A C6A 123.2(2) . . ?
O1 Dy2A C7A 129.6(3) . . ?
O1 Dy2A C8A 156.5(3) . . ?
O1 Dy2A C9A 135.4(3) . . ?
O1 Dy2A C10A 125.0(3) . . ?
O1 Dy2A C11A 126.6(3) . . ?
C1A Dy2A C2A 32.5(2) . . ?
C1A Dy2A C3A 50.4(2) . . ?
C1A Dy2A C5A 31.3(2) . . ?
C1A Dy2A C6A 51.6(2) . . ?
C1A Dy2A C7A 53.6(2) . . ?
C1A Dy2A C10A 65.0(3) . . ?
C1A Dy2A C11A 56.4(3) . . ?
C2A Dy2A C3A 29.8(2) . . ?
C2A Dy2A C5A 51.5(2) . . ?
C2A Dy2A C6A 79.6(3) . . ?
C2A Dy2A C10A 57.9(3) . . ?
C2A Dy2A C11A 32.7(3) . . ?
C5A Dy2A C3A 48.8(2) . . ?
C6A Dy2A C3A 77.7(3) . . ?
C6A Dy2A C5A 29.8(2) . . ?
C7A Dy2A C2A 86.1(3) . . ?
C7A Dy2A C3A 98.1(3) . . ?
C7A Dy2A C5A 51.2(2) . . ?
C7A Dy2A C6A 30.9(2) . . ?
C7A Dy2A C10A 87.8(3) . . ?
C7A Dy2A C11A 101.9(3) . . ?
C8A Dy2A C1A 33.4(2) . . ?
C8A Dy2A C2A 60.8(3) . . ?
C8A Dy2A C3A 83.7(3) . . ?
C8A Dy2A C5A 52.9(3) . . ?
C8A Dy2A C6A 52.6(2) . . ?
C8A Dy2A C7A 32.9(2) . . ?
C8A Dy2A C9A 32.2(3) . . ?
C8A Dy2A C10A 57.3(3) . . ?
C8A Dy2A C11A 69.4(3) . . ?
C9A Dy2A C1A 57.2(2) . . ?
C9A Dy2A C2A 70.4(3) . . ?
C9A Dy2A C3A 99.7(3) . . ?
C9A Dy2A C5A 83.8(3) . . ?
C9A Dy2A C6A 83.5(3) . . ?
C9A Dy2A C7A 57.0(2) . . ?
C9A Dy2A C10A 32.5(2) . . ?
C9A Dy2A C11A 59.1(3) . . ?
C10A Dy2A C3A 85.7(3) . . ?
C10A Dy2A C5A 96.3(3) . . ?
C10A Dy2A C6A 109.0(3) . . ?
C10A Dy2A C11A 32.3(2) . . ?
C11A Dy2A C3A 55.3(3) . . ?
C11A Dy2A C5A 82.9(3) . . ?
C11A Dy2A C6A 107.9(3) . . ?
O1 Dy2B C56A 108.2(2) . . ?
O1 Dy2B C58A 113.5(3) . . ?
O1 Dy2B C64A 113.1(3) . . ?
O1 Dy2B C67A 132.1(3) . . ?
O1 Dy2B C68A 121.8(2) . . ?
O1 Dy2B C69A 133.6(3) . . ?
O1 Dy2B C70A 163.7(3) . . ?
O1 Dy2B C71A 143.7(3) . . ?
O1 Dy2B C72A 133.6(3) . . ?
O1 Dy2B C73A 140.2(3) . . ?
O1 Dy2B C74A 160.2(2) . . ?
C56A Dy2B C64A 137.3(3) . . ?
C58A Dy2B C56A 54.2(3) . . ?
C58A Dy2B C64A 114.8(3) . . ?
C67A Dy2B C56A 82.3(3) . . ?
C67A Dy2B C58A 110.2(3) . . ?
C67A Dy2B C64A 62.3(3) . . ?
C67A Dy2B C68A 30.6(2) . . ?
C68A Dy2B C56A 55.1(2) . . ?
C68A Dy2B C58A 98.8(3) . . ?
C68A Dy2B C64A 92.9(3) . . ?
C69A Dy2B C56A 31.3(2) . . ?
C69A Dy2B C58A 66.9(3) . . ?
C69A Dy2B C64A 106.8(3) . . ?
C69A Dy2B C67A 52.6(2) . . ?
C69A Dy2B C68A 32.0(2) . . ?
C69A Dy2B C74A 53.8(3) . . ?
C70A Dy2B C56A 55.6(3) . . ?
C70A Dy2B C58A 57.1(3) . . ?
C70A Dy2B C64A 83.2(3) . . ?
C70A Dy2B C67A 53.2(3) . . ?
C70A Dy2B C68A 53.0(2) . . ?
C70A Dy2B C69A 32.7(2) . . ?
C70A Dy2B C72A 56.0(3) . . ?
C70A Dy2B C73A 56.0(3) . . ?
C70A Dy2B C74A 32.9(2) . . ?
C71A Dy2B C56A 67.1(3) . . ?
C71A Dy2B C58A 33.0(3) . . ?
C71A Dy2B C64A 85.2(3) . . ?
C71A Dy2B C67A 83.9(3) . . ?
C71A Dy2B C68A 86.2(3) . . ?
C71A Dy2B C69A 60.0(3) . . ?
C71A Dy2B C70A 33.7(2) . . ?
C71A Dy2B C72A 34.2(2) . . ?
C71A Dy2B C73A 56.7(3) . . ?
C71A Dy2B C74A 55.1(3) . . ?
C72A Dy2B C56A 101.3(3) . . ?
C72A Dy2B C58A 58.8(3) . . ?
C72A Dy2B C64A 56.1(3) . . ?
C72A Dy2B C67A 86.0(3) . . ?
C72A Dy2B C68A 104.4(3) . . ?
C72A Dy2B C69A 88.3(3) . . ?
C72A Dy2B C73A 34.0(3) . . ?
C72A Dy2B C74A 54.9(3) . . ?
C73A Dy2B C56A 111.6(3) . . ?
C73A Dy2B C58A 88.5(3) . . ?
C73A Dy2B C64A 29.4(3) . . ?
C73A Dy2B C67A 57.5(3) . . ?
C73A Dy2B C68A 84.2(3) . . ?
C73A Dy2B C69A 84.9(3) . . ?
C73A Dy2B C74A 33.1(2) . . ?
C74A Dy2B C56A 83.8(3) . . ?
C74A Dy2B C58A 86.2(3) . . ?
C74A Dy2B C64A 53.5(3) . . ?
C74A Dy2B C67A 31.8(2) . . ?
C74A Dy2B C68A 52.1(2) . . ?
Dy2A Dy3A O1 76.2(4) . . ?
Dy2A Dy3A C1A 77.9(4) . . ?
Dy2A Dy3A C2A 107.2(5) . . ?
Dy2A Dy3A C3A 131.9(6) . . ?
Dy2A Dy3A C4A 109.8(5) . . ?
Dy2A Dy3A C5A 81.4(5) . . ?
Dy2A Dy3A C8A 48.9(4) . . ?
Dy2A Dy3A C10A 72.3(4) . . ?
Dy2A Dy3A C11A 102.6(5) . . ?
Dy2A Dy3A C12A 124.3(5) . . ?
Dy2A Dy3A C14A 166.0(6) . . ?
O1 Dy3A C1A 152.4(3) . . ?
O1 Dy3A C2A 172.7(4) . . ?
O1 Dy3A C3A 145.5(3) . . ?
O1 Dy3A C4A 129.9(3) . . ?
O1 Dy3A C5A 133.7(3) . . ?
O1 Dy3A C8A 125.1(3) . . ?
O1 Dy3A C10A 117.1(3) . . ?
O1 Dy3A C11A 137.2(4) . . ?
O1 Dy3A C12A 113.1(3) . . ?
O1 Dy3A C14A 116.9(3) . . ?
C1A Dy3A C4A 52.7(3) . . ?
C1A Dy3A C5A 31.0(2) . . ?
C1A Dy3A C8A 30.4(2) . . ?
C1A Dy3A C10A 62.5(3) . . ?
C1A Dy3A C12A 89.3(3) . . ?
C1A Dy3A C14A 88.3(3) . . ?
C2A Dy3A C1A 33.4(2) . . ?
C2A Dy3A C3A 35.5(3) . . ?
C2A Dy3A C4A 55.6(3) . . ?
C2A Dy3A C5A 53.6(3) . . ?
C2A Dy3A C8A 58.6(3) . . ?
C2A Dy3A C10A 59.1(3) . . ?
C2A Dy3A C11A 36.3(3) . . ?
C2A Dy3A C12A 59.6(3) . . ?
C2A Dy3A C14A 60.5(3) . . ?
C3A Dy3A C1A 55.5(3) . . ?
C3A Dy3A C4A 33.1(2) . . ?
C3A Dy3A C5A 53.1(3) . . ?
C3A Dy3A C8A 85.8(3) . . ?
C3A Dy3A C10A 93.3(3) . . ?
C3A Dy3A C11A 64.6(3) . . ?
C3A Dy3A C12A 70.7(3) . . ?
C3A Dy3A C14A 34.0(3) . . ?
C4A Dy3A C5A 30.5(2) . . ?
C4A Dy3A C8A 78.2(3) . . ?
C4A Dy3A C10A 111.7(3) . . ?
C4A Dy3A C12A 103.7(3) . . ?
C5A Dy3A C8A 49.1(2) . . ?
C5A Dy3A C10A 93.0(3) . . ?
C10A Dy3A C8A 51.8(2) . . ?
C11A Dy3A C1A 58.6(3) . . ?
C11A Dy3A C4A 91.4(3) . . ?
C11A Dy3A C5A 86.9(4) . . ?
C11A Dy3A C8A 66.8(3) . . ?
C11A Dy3A C10A 32.2(3) . . ?
C11A Dy3A C12A 32.9(3) . . ?
C11A Dy3A C14A 71.8(3) . . ?
C12A Dy3A C5A 113.0(3) . . ?
C12A Dy3A C8A 99.3(3) . . ?
C12A Dy3A C10A 54.2(2) . . ?
C14A Dy3A C4A 58.5(3) . . ?
C14A Dy3A C5A 85.4(3) . . ?
C14A Dy3A C8A 117.9(3) . . ?
C14A Dy3A C10A 103.8(3) . . ?
C14A Dy3A C12A 57.3(3) . . ?
Dy1B O1 Dy1A 171.9(3) . . ?
Dy1B O1 Dy2B 12.88(8) . . ?
Dy1B O1 Dy3A 163.0(3) . . ?
Dy2A O1 Dy1A 10.81(8) . . ?
Dy2A O1 Dy1B 177.3(3) . . ?
Dy2A O1 Dy2B 164.7(3) . . ?
Dy2A O1 Dy3A 19.27(16) . . ?
Dy2B O1 Dy1A 171.0(3) . . ?
Dy3A O1 Dy1A 13.06(15) . . ?
Dy3A O1 Dy2B 175.7(3) . . ?
Dy1A C1A Dy2A 8.77(8) . . ?
Dy1A C1A Dy3A 10.05(12) . . ?
Dy2A C1A Dy3A 15.08(13) . . ?
C2A C1A Dy1A 72.2(6) . . ?
C2A C1A Dy2A 75.5(6) . . ?
C2A C1A Dy3A 62.2(6) . . ?
C2A C1A C5A 107.5(6) . . ?
C5A C1A Dy1A 75.6(6) . . ?
C5A C1A Dy2A 81.9(6) . . ?
C5A C1A Dy3A 80.6(6) . . ?
C8A C1A Dy1A 76.5(7) . . ?
C8A C1A Dy2A 68.4(6) . . ?
C8A C1A Dy3A 82.9(7) . . ?
C8A C1A C2A 124.5(9) . . ?
C8A C1A C5A 107.4(6) . . ?
Dy1A C2A Dy2A 8.14(7) . . ?
Dy3A C2A Dy1A 11.27(14) . . ?
Dy3A C2A Dy2A 14.45(15) . . ?
C1A C2A Dy1A 73.2(6) . . ?
C1A C2A Dy2A 72.0(6) . . ?
C1A C2A Dy3A 84.4(6) . . ?
C1A C2A C11A 115.4(8) . . ?
C3A C2A Dy1A 77.7(6) . . ?
C3A C2A Dy2A 85.6(6) . . ?
C3A C2A Dy3A 74.3(6) . . ?
C3A C2A C1A 108.2(6) . . ?
C3A C2A C11A 124.4(9) . . ?
C11A C2A Dy1A 83.5(7) . . ?
C11A C2A Dy2A 77.2(7) . . ?
C11A C2A Dy3A 77.4(7) . . ?
Dy1A C3A Dy2A 4.58(6) . . ?
Dy3A C3A Dy1A 10.47(13) . . ?
Dy3A C3A Dy2A 10.14(14) . . ?
C2A C3A Dy1A 68.9(6) . . ?
C2A C3A Dy2A 64.6(6) . . ?
C2A C3A Dy3A 70.2(6) . . ?
C2A C3A C4A 108.0(6) . . ?
C2A C3A C14A 118.7(8) . . ?
C4A C3A Dy1A 74.8(6) . . ?
C4A C3A Dy2A 78.3(6) . . ?
C4A C3A Dy3A 83.7(6) . . ?
C4A C3A C14A 122.6(8) . . ?
C14A C3A Dy1A 92.2(8) . . ?
C14A C3A Dy2A 92.8(8) . . ?
C14A C3A Dy3A 82.6(8) . . ?
Dy1A C4A Dy2A 3.01(6) . . ?
Dy1A C4A Dy3A 10.35(12) . . ?
Dy3A C4A Dy2A 12.56(13) . . ?
C3A C4A Dy1A 72.2(6) . . ?
C3A C4A Dy2A 72.9(6) . . ?
C3A C4A Dy3A 63.2(6) . . ?
C3A C4A C17A 120.4(9) . . ?
C5A C4A Dy1A 71.1(6) . . ?
C5A C4A Dy2A 68.2(6) . . ?
C5A C4A Dy3A 79.8(7) . . ?
C5A C4A C3A 107.8(6) . . ?
C5A C4A C17A 117.6(8) . . ?
C17A C4A Dy1A 87.6(7) . . ?
C17A C4A Dy2A 89.7(7) . . ?
C17A C4A Dy3A 88.3(7) . . ?
Dy1A C5A Dy2A 6.84(7) . . ?
Dy1A C5A Dy3A 8.56(11) . . ?
Dy2A C5A Dy3A 14.14(12) . . ?
C1A C5A Dy1A 70.3(6) . . ?
C1A C5A Dy2A 66.8(5) . . ?
C1A C5A Dy3A 68.4(5) . . ?
C4A C5A Dy1A 76.2(7) . . ?
C4A C5A Dy2A 83.0(7) . . ?
C4A C5A Dy3A 69.8(6) . . ?
C4A C5A C1A 108.4(6) . . ?
C6A C5A Dy1A 78.6(6) . . ?
C6A C5A Dy2A 74.9(6) . . ?
C6A C5A Dy3A 87.1(7) . . ?
C6A C5A C1A 107.9(6) . . ?
C6A C5A C4A 124.8(10) . . ?
Dy1A C6A Dy2A 8.12(7) . . ?
Dy1A C6A Dy3A 4.32(10) . . ?
Dy2A C6A Dy3A 12.11(11) . . ?
C5A C6A Dy1A 69.4(6) . . ?
C5A C6A Dy2A 75.3(6) . . ?
C5A C6A Dy3A 65.3(6) . . ?
C5A C6A C7A 108.9(6) . . ?
C5A C6A C19A 117.5(8) . . ?
C7A C6A Dy1A 76.4(6) . . ?
C7A C6A Dy2A 68.7(6) . . ?
C7A C6A Dy3A 79.3(6) . . ?
C7A C6A C19A 120.9(9) . . ?
C19A C6A Dy1A 87.5(8) . . ?
C19A C6A Dy2A 89.5(8) . . ?
C19A C6A Dy3A 88.6(8) . . ?
Dy2A C7A Dy1A 8.55(7) . . ?
C6A C7A Dy1A 72.3(6) . . ?
C6A C7A Dy2A 80.4(6) . . ?
C6A C7A C22A 120.1(8) . . ?
C8A C7A Dy1A 68.1(6) . . ?
C8A C7A Dy2A 67.0(6) . . ?
C8A C7A C6A 107.5(6) . . ?
C8A C7A C22A 120.9(8) . . ?
C22A C7A Dy1A 94.2(7) . . ?
C22A C7A Dy2A 87.7(7) . . ?
Dy1A C8A Dy3A 7.95(10) . . ?
Dy2A C8A Dy1A 9.04(8) . . ?
Dy2A C8A Dy3A 12.18(11) . . ?
C1A C8A Dy1A 69.8(6) . . ?
C1A C8A Dy2A 78.2(7) . . ?
C1A C8A Dy3A 66.7(6) . . ?
C7A C8A Dy1A 80.0(7) . . ?
C7A C8A Dy2A 80.0(7) . . ?
C7A C8A Dy3A 88.0(7) . . ?
C7A C8A C1A 108.1(6) . . ?
C9A C8A Dy1A 85.5(7) . . ?
C9A C8A Dy2A 77.9(7) . . ?
C9A C8A Dy3A 81.3(7) . . ?
C9A C8A C1A 119.7(8) . . ?
C9A C8A C7A 120.9(9) . . ?
Dy1A C9A Dy3A 8.91(10) . . ?
Dy2A C9A Dy1A 6.83(7) . . ?
Dy2A C9A Dy3A 11.28(11) . . ?
C8A C9A Dy1A 64.9(6) . . ?
C8A C9A Dy2A 69.8(6) . . ?
C8A C9A Dy3A 71.1(6) . . ?
C8A C9A C10A 119.2(8) . . ?
C8A C9A C24A 120.5(7) . . ?
C10A C9A Dy1A 78.3(5) . . ?
C10A C9A Dy2A 78.9(5) . . ?
C10A C9A Dy3A 69.4(5) . . ?
C24A C9A Dy1A 95.7(6) . . ?
C24A C9A Dy2A 89.1(5) . . ?
C24A C9A Dy3A 98.0(6) . . ?
C24A C9A C10A 109.3(6) . . ?
Dy2A C10A Dy1A 7.23(6) . . ?
Dy2A C10A Dy3A 14.07(12) . . ?
Dy3A C10A Dy1A 9.55(11) . . ?
C9A C10A Dy1A 71.7(5) . . ?
C9A C10A Dy2A 68.6(5) . . ?
C9A C10A Dy3A 81.2(5) . . ?
C9A C10A C11A 122.1(7) . . ?
C9A C10A C26A 107.3(6) . . ?
C11A C10A Dy1A 68.5(6) . . ?
C11A C10A Dy2A 75.2(6) . . ?
C11A C10A Dy3A 62.0(6) . . ?
C11A C10A C26A 117.8(8) . . ?
C26A C10A Dy1A 97.5(6) . . ?
C26A C10A Dy2A 92.1(6) . . ?
C26A C10A Dy3A 94.3(6) . . ?
Dy1A C11A Dy2A 8.51(7) . . ?
Dy3A C11A Dy1A 9.28(13) . . ?
Dy3A C11A Dy2A 14.22(14) . . ?
C2A C11A Dy1A 63.0(6) . . ?
C2A C11A Dy2A 70.0(6) . . ?
C2A C11A Dy3A 66.4(7) . . ?
C10A C11A Dy1A 80.6(6) . . ?
C10A C11A Dy2A 72.5(6) . . ?
C10A C11A Dy3A 85.8(7) . . ?
C10A C11A C2A 117.3(8) . . ?
C12A C11A Dy1A 92.1(7) . . ?
C12A C11A Dy2A 93.2(7) . . ?
C12A C11A Dy3A 82.9(7) . . ?
C12A C11A C2A 115.7(8) . . ?
C12A C11A C10A 114.8(9) . . ?
C11A C12A Dy3A 64.2(6) . . ?
C11A C12A C28A 123.7(8) . . ?
C13A C12A Dy3A 78.8(5) . . ?
C13A C12A C11A 119.3(8) . . ?
C13A C12A C28A 108.7(6) . . ?
C28A C12A Dy3A 100.9(6) . . ?
C12A C13A Dy3A 70.4(5) . . ?
C12A C13A C30A 108.0(6) . . ?
C14A C13A Dy3A 67.1(7) . . ?
C14A C13A C12A 122.6(9) . . ?
C14A C13A C30A 118.5(8) . . ?
C30A C13A Dy3A 104.3(6) . . ?
Dy3A C14A Dy1A 6.53(12) . . ?
C3A C14A Dy1A 58.0(7) . . ?
C3A C14A Dy3A 63.3(7) . . ?
C13A C14A Dy1A 88.7(8) . . ?
C13A C14A Dy3A 82.5(8) . . ?
C13A C14A C3A 118.4(9) . . ?
C13A C14A C15A 117.7(9) . . ?
C15A C14A Dy1A 95.1(8) . . ?
C15A C14A Dy3A 96.2(8) . . ?
C15A C14A C3A 115.6(8) . . ?
C14A C15A C16A 122.1(8) . . ?
C32A C15A C14A 122.0(8) . . ?
C32A C15A C16A 107.7(6) . . ?
C17A C16A C15A 120.3(7) . . ?
C34A C16A C15A 107.8(6) . . ?
C34A C16A C17A 122.0(7) . . ?
Dy1A C17A Dy3A 9.09(11) . . ?
C4A C17A Dy1A 61.6(6) . . ?
C4A C17A Dy3A 61.8(6) . . ?
C16A C17A Dy1A 98.2(7) . . ?
C16A C17A Dy3A 90.1(7) . . ?
C16A C17A C4A 116.4(8) . . ?
C16A C17A C18A 118.9(7) . . ?
C18A C17A Dy1A 87.0(6) . . ?
C18A C17A Dy3A 94.5(7) . . ?
C18A C17A C4A 119.1(7) . . ?
C17A C18A C36A 115.8(7) . . ?
C19A C18A C17A 118.7(7) . . ?
C19A C18A C36A 115.8(7) . . ?
C6A C19A Dy1A 62.3(7) . . ?
C18A C19A Dy1A 85.7(7) . . ?
C18A C19A C6A 120.1(7) . . ?
C20A C19A Dy1A 104.4(8) . . ?
C20A C19A C6A 117.0(7) . . ?
C20A C19A C18A 119.4(7) . . ?
C19A C20A C21A 119.0(8) . . ?
C38A C20A C19A 120.7(7) . . ?
C38A C20A C21A 108.8(6) . . ?
C22A C21A C20A 122.2(8) . . ?
C22A C21A C40A 120.8(7) . . ?
C40A C21A C20A 107.1(6) . . ?
C7A C22A Dy2A 61.8(6) . . ?
C21A C22A Dy2A 100.8(7) . . ?
C21A C22A C7A 116.7(8) . . ?
C23A C22A Dy2A 85.0(7) . . ?
C23A C22A C7A 118.1(7) . . ?
C23A C22A C21A 120.0(8) . . ?
C22A C23A C24A 117.8(8) . . ?
C22A C23A C42A 117.0(7) . . ?
C24A C23A C42A 114.8(8) . . ?
C9A C24A Dy2A 60.7(5) . . ?
C9A C24A C23A 121.0(7) . . ?
C9A C24A C25A 107.8(6) . . ?
C23A C24A Dy2A 86.4(7) . . ?
C23A C24A C25A 121.7(8) . . ?
C25A C24A Dy2A 91.6(6) . . ?
C26A C25A C24A 107.9(6) . . ?
C44A C25A C24A 121.1(8) . . ?
C44A C25A C26A 122.2(9) . . ?
C25A C26A C10A 107.4(6) . . ?
C27A C26A C10A 125.4(8) . . ?
C27A C26A C25A 120.0(8) . . ?
C26A C27A C28A 118.6(10) . . ?
C26A C27A C46A 118.3(9) . . ?
C28A C27A C46A 116.8(8) . . ?
C12A C28A C29A 107.5(6) . . ?
C27A C28A C12A 119.4(9) . . ?
C27A C28A C29A 121.7(8) . . ?
C30A C29A C28A 108.1(6) . . ?
C48A C29A C28A 121.6(8) . . ?
C48A C29A C30A 122.4(8) . . ?
C29A C30A C13A 107.7(6) . . ?
C31A C30A C13A 123.1(8) . . ?
C31A C30A C29A 119.8(8) . . ?
C32A C31A C30A 117.6(9) . . ?
C50A C31A C30A 116.8(9) . . ?
C50A C31A C32A 116.9(8) . . ?
C15A C32A C33A 107.9(6) . . ?
C31A C32A C15A 120.9(8) . . ?
C31A C32A C33A 120.1(8) . . ?
C34A C33A C32A 107.6(6) . . ?
C34A C33A C52A 121.1(8) . . ?
C52A C33A C32A 122.4(7) . . ?
C33A C34A C16A 109.0(6) . . ?
C35A C34A C16A 119.9(8) . . ?
C35A C34A C33A 119.9(8) . . ?
C34A C35A C36A 120.9(7) . . ?
C34A C35A C54A 120.2(8) . . ?
C54A C35A C36A 108.7(6) . . ?
C35A C36A C18A 122.3(7) . . ?
C35A C36A C37A 108.0(6) . . ?
C37A C36A C18A 120.4(6) . . ?
C36A C37A C55A 107.7(6) . . ?
C38A C37A C36A 122.1(7) . . ?
C38A C37A C55A 120.5(8) . . ?
C20A C38A C39A 107.9(6) . . ?
C37A C38A C20A 121.6(7) . . ?
C37A C38A C39A 120.1(8) . . ?
C38A C39A C57A 121.9(7) . . ?
C40A C39A C38A 107.3(6) . . ?
C40A C39A C57A 121.3(7) . . ?
C21A C40A C39A 108.8(6) . . ?
C41A C40A C21A 120.3(7) . . ?
C41A C40A C39A 120.9(8) . . ?
C40A C41A C42A 120.7(7) . . ?
C40A C41A C59A 119.6(8) . . ?
C42A C41A C59A 108.6(6) . . ?
C23A C42A C43A 122.0(7) . . ?
C41A C42A C23A 121.0(7) . . ?
C41A C42A C43A 108.0(6) . . ?
C42A C43A C60A 108.0(6) . . ?
C44A C43A C42A 120.4(8) . . ?
C44A C43A C60A 120.8(9) . . ?
C25A C44A C43A 119.2(9) . . ?
C25A C44A C45A 118.0(9) . . ?
C43A C44A C45A 116.2(8) . . ?
C44A C45A C46A 118.0(8) . . ?
C44A C45A C62A 120.3(8) . . ?
C46A C45A C62A 108.7(6) . . ?
C27A C46A C45A 122.9(9) . . ?
C27A C46A C47A 120.0(8) . . ?
C45A C46A C47A 108.0(6) . . ?
C48A C47A C46A 122.8(8) . . ?
C48A C47A C63A 120.0(8) . . ?
C63A C47A C46A 107.3(6) . . ?
C29A C48A C47A 116.3(8) . . ?
C49A C48A C29A 117.5(9) . . ?
C49A C48A C47A 118.0(8) . . ?
C48A C49A C50A 121.9(8) . . ?
C48A C49A C65A 120.5(8) . . ?
C65A C49A C50A 107.1(6) . . ?
C31A C50A C49A 121.1(8) . . ?
C31A C50A C51A 123.3(8) . . ?
C51A C50A C49A 107.9(6) . . ?
C50A C51A Dy1B 95.1(6) . . ?
C50A C51A C66A 108.0(6) . . ?
C52A C51A Dy1B 82.8(7) . . ?
C52A C51A C50A 120.8(8) . . ?
C52A C51A C66A 120.5(7) . . ?
C66A C51A Dy1B 59.9(6) . . ?
C51A C52A C33A 115.6(7) . . ?
C53A C52A C33A 118.2(8) . . ?
C53A C52A C51A 117.9(8) . . ?
C52A C53A Dy1B 88.2(7) . . ?
C52A C53A C54A 119.1(8) . . ?
C52A C53A C68A 119.1(8) . . ?
C54A C53A Dy1B 96.2(7) . . ?
C54A C53A C68A 115.2(8) . . ?
C68A C53A Dy1B 60.2(6) . . ?
C35A C54A C53A 121.3(7) . . ?
C35A C54A C55A 107.7(6) . . ?
C53A C54A C55A 121.8(9) . . ?
C37A C55A C54A 107.8(6) . . ?
C37A C55A C56A 123.1(7) . . ?
C54A C55A C56A 123.0(8) . . ?
Dy2B C56A Dy1B 8.37(6) . . ?
C55A C56A Dy1B 91.1(7) . . ?
C55A C56A Dy2B 96.7(7) . . ?
C55A C56A C69A 114.0(8) . . ?
C57A C56A Dy1B 85.3(6) . . ?
C57A C56A Dy2B 77.3(6) . . ?
C57A C56A C55A 116.4(8) . . ?
C57A C56A C69A 118.0(8) . . ?
C69A C56A Dy1B 60.0(6) . . ?
C69A C56A Dy2B 63.2(6) . . ?
C39A C57A Dy2B 109.5(6) . . ?
C56A C57A Dy2B 73.2(6) . . ?
C56A C57A C39A 116.7(7) . . ?
C58A C57A Dy2B 68.0(6) . . ?
C58A C57A C39A 117.7(7) . . ?
C58A C57A C56A 120.6(8) . . ?
C57A C58A Dy2B 82.2(6) . . ?
C57A C58A C59A 117.8(8) . . ?
C57A C58A C71A 119.2(8) . . ?
C59A C58A Dy2B 94.4(7) . . ?
C59A C58A C71A 112.7(7) . . ?
C71A C58A Dy2B 62.1(6) . . ?
C41A C59A C60A 108.2(5) . . ?
C58A C59A C41A 121.8(7) . . ?
C58A C59A C60A 121.0(8) . . ?
C59A C60A C43A 107.1(6) . . ?
C61A C60A C43A 122.4(8) . . ?
C61A C60A C59A 122.9(8) . . ?
C60A C61A Dy2B 89.9(8) . . ?
C62A C61A Dy2B 91.6(8) . . ?
C62A C61A C60A 116.6(9) . . ?
C62A C61A C72A 117.7(9) . . ?
C72A C61A Dy2B 57.1(7) . . ?
C72A C61A C60A 115.5(9) . . ?
C45A C62A C63A 107.5(6) . . ?
C61A C62A C45A 123.2(9) . . ?
C61A C62A C63A 122.5(8) . . ?
C47A C63A C62A 108.3(6) . . ?
C64A C63A C47A 123.0(8) . . ?
C64A C63A C62A 118.6(9) . . ?
Dy1B C64A Dy2B 9.20(7) . . ?
C63A C64A Dy1B 97.6(10) . . ?
C63A C64A Dy2B 94.4(9) . . ?
C65A C64A Dy1B 75.2(8) . . ?
C65A C64A Dy2B 84.4(8) . . ?
C65A C64A C63A 115.2(9) . . ?
C73A C64A Dy1B 66.5(9) . . ?
C73A C64A Dy2B 60.3(8) . . ?
C73A C64A C63A 116.5(9) . . ?
C73A C64A C65A 118.1(9) . . ?
Dy1B C65A Dy2B 6.72(6) . . ?
C49A C65A Dy1B 100.8(6) . . ?
C49A C65A Dy2B 104.8(7) . . ?
C64A C65A Dy1B 75.0(8) . . ?
C64A C65A Dy2B 68.3(8) . . ?
C64A C65A C49A 123.3(8) . . ?
C64A C65A C66A 121.9(8) . . ?
C66A C65A Dy1B 70.3(6) . . ?
C66A C65A Dy2B 74.4(6) . . ?
C66A C65A C49A 108.0(6) . . ?
Dy1B C66A Dy2B 5.46(6) . . ?
C51A C66A Dy1B 91.2(7) . . ?
C51A C66A Dy2B 96.6(7) . . ?
C65A C66A Dy1B 78.4(6) . . ?
C65A C66A Dy2B 77.8(6) . . ?
C65A C66A C51A 108.3(6) . . ?
C67A C66A Dy1B 67.4(7) . . ?
C67A C66A Dy2B 63.6(7) . . ?
C67A C66A C51A 120.0(8) . . ?
C67A C66A C65A 119.7(8) . . ?
Dy1B C67A Dy2B 8.78(6) . . ?
C66A C67A Dy1B 82.0(7) . . ?
C66A C67A Dy2B 89.6(7) . . ?
C66A C67A C68A 121.6(9) . . ?
C66A C67A C74A 118.6(7) . . ?
C68A C67A Dy1B 75.7(6) . . ?
C68A C67A Dy2B 75.0(6) . . ?
C68A C67A C74A 107.6(6) . . ?
C74A C67A Dy1B 76.6(6) . . ?
C74A C67A Dy2B 68.9(6) . . ?
Dy1B C68A Dy2B 9.27(6) . . ?
C53A C68A Dy1B 89.4(7) . . ?
C53A C68A Dy2B 95.0(7) . . ?
C67A C68A Dy1B 70.9(5) . . ?
C67A C68A Dy2B 74.3(5) . . ?
C67A C68A C53A 120.1(7) . . ?
C67A C68A C69A 107.9(6) . . ?
C69A C68A Dy1B 77.4(5) . . ?
C69A C68A Dy2B 68.2(5) . . ?
C69A C68A C53A 122.5(8) . . ?
Dy2B C69A Dy1B 10.15(7) . . ?
C56A C69A Dy1B 90.6(7) . . ?
C56A C69A Dy2B 85.5(6) . . ?
C68A C69A Dy1B 69.7(5) . . ?
C68A C69A Dy2B 79.8(5) . . ?
C68A C69A C56A 122.0(8) . . ?
C70A C69A Dy1B 74.8(6) . . ?
C70A C69A Dy2B 70.0(6) . . ?
C70A C69A C56A 119.1(8) . . ?
C70A C69A C68A 107.6(6) . . ?
Dy2B C70A Dy1B 9.68(7) . . ?
C69A C70A Dy1B 73.9(6) . . ?
C69A C70A Dy2B 77.3(7) . . ?
C69A C70A C71A 123.2(10) . . ?
C69A C70A C74A 109.1(6) . . ?
C71A C70A Dy1B 80.4(6) . . ?
C71A C70A Dy2B 71.3(6) . . ?
C71A C70A C74A 108.6(6) . . ?
C74A C70A Dy1B 70.7(6) . . ?
C74A C70A Dy2B 77.5(6) . . ?
Dy2B C71A Dy1B 6.46(7) . . ?
C58A C71A Dy1B 90.5(7) . . ?
C58A C71A Dy2B 84.9(7) . . ?
C70A C71A Dy1B 69.4(6) . . ?
C70A C71A Dy2B 75.0(6) . . ?
C70A C71A C58A 118.1(8) . . ?
C70A C71A C72A 108.5(6) . . ?
C72A C71A Dy1B 74.5(6) . . ?
C72A C71A Dy2B 75.1(6) . . ?
C72A C71A C58A 121.8(8) . . ?
Dy2B C72A Dy1B 7.88(7) . . ?
C61A C72A Dy1B 97.0(8) . . ?
C61A C72A Dy2B 94.4(8) . . ?
C61A C72A C71A 124.7(9) . . ?
C61A C72A C73A 119.0(8) . . ?
C71A C72A Dy1B 75.3(6) . . ?
C71A C72A Dy2B 70.7(6) . . ?
C71A C72A C73A 107.2(6) . . ?
C73A C72A Dy1B 65.5(7) . . ?
C73A C72A Dy2B 73.2(7) . . ?
Dy2B C73A Dy1B 10.53(9) . . ?
C64A C73A Dy1B 83.0(9) . . ?
C64A C73A Dy2B 90.3(10) . . ?
C64A C73A C72A 125.0(10) . . ?
C64A C73A C74A 119.4(8) . . ?
C72A C73A Dy1B 83.2(8) . . ?
C72A C73A Dy2B 72.8(7) . . ?
C74A C73A Dy1B 74.1(7) . . ?
C74A C73A Dy2B 76.7(7) . . ?
C74A C73A C72A 107.2(6) . . ?
Dy1B C74A Dy2B 10.38(8) . . ?
C67A C74A Dy1B 69.8(6) . . ?
C67A C74A Dy2B 79.3(7) . . ?
C70A C74A Dy1B 77.4(6) . . ?
C70A C74A Dy2B 69.6(6) . . ?
C70A C74A C67A 107.8(6) . . ?
C70A C74A C73A 108.0(6) . . ?
C73A C74A Dy1B 73.0(8) . . ?
C73A C74A Dy2B 70.2(7) . . ?
C73A C74A C67A 119.8(9) . . ?
N1P Ni1P N2P 89.1(3) . . ?
N3P Ni1P N1P 177.5(2) . . ?
N3P Ni1P N2P 90.1(3) . . ?
N4P Ni1P N1P 90.3(3) . . ?
N4P Ni1P N2P 178.0(2) . . ?
N4P Ni1P N3P 90.4(2) . . ?
C1P N1P Ni1P 129.5(5) . . ?
C1P N1P C30P 103.8(6) . . ?
C30P N1P Ni1P 126.7(5) . . ?
C3P N2P Ni1P 127.7(5) . . ?
C10P N2P Ni1P 127.5(5) . . ?
C10P N2P C3P 104.8(6) . . ?
C12P N3P Ni1P 128.4(5) . . ?
C19P N3P Ni1P 127.6(5) . . ?
C19P N3P C12P 104.1(6) . . ?
C21P N4P Ni1P 128.3(5) . . ?
C21P N4P C28P 103.4(6) . . ?
C28P N4P Ni1P 128.2(5) . . ?
N1P C1P C2P 123.3(7) . . ?
N1P C1P C34P 112.1(7) . . ?
C2P C1P C34P 124.5(7) . . ?
C3P C2P C1P 125.3(8) . . ?
N2P C3P C4P 110.8(7) . . ?
C2P C3P N2P 125.1(7) . . ?
C2P C3P C4P 124.1(7) . . ?
C3P C4P C5P 124.4(7) . . ?
C7P C4P C3P 106.7(7) . . ?
C7P C4P C5P 128.8(8) . . ?
C6P C5P C4P 112.8(7) . . ?
C4P C7P C8P 128.4(8) . . ?
C4P C7P C10P 106.7(7) . . ?
C10P C7P C8P 124.9(8) . . ?
C7P C8P C9P 112.9(8) . . ?
N2P C10P C7P 110.9(7) . . ?
N2P C10P C11P 125.1(7) . . ?
C11P C10P C7P 124.0(7) . . ?
C12P C11P C10P 125.1(7) . . ?
N3P C12P C13P 110.8(7) . . ?
C11P C12P N3P 123.8(7) . . ?
C11P C12P C13P 125.4(7) . . ?
C12P C13P C14P 124.6(8) . . ?
C16P C13P C12P 107.1(7) . . ?
C16P C13P C14P 128.3(8) . . ?
C15P C14P C13P 112.9(7) . . ?
C13P C16P C17P 128.6(8) . . ?
C13P C16P C19P 106.6(7) . . ?
C19P C16P C17P 124.8(8) . . ?
C18P C17P C16P 113.0(8) . . ?
N3P C19P C16P 111.4(7) . . ?
N3P C19P C20P 125.7(7) . . ?
C20P C19P C16P 122.8(7) . . ?
C19P C20P C21P 123.9(7) . . ?
N4P C21P C20P 124.1(7) . . ?
N4P C21P C22P 112.6(6) . . ?
C20P C21P C22P 123.3(7) . . ?
C21P C22P C23P 126.0(7) . . ?
C25P C22P C21P 105.5(7) . . ?
C25P C22P C23P 128.5(7) . . ?
C24P C23P C22P 112.0(7) . . ?
C22P C25P C26P 127.9(8) . . ?
C22P C25P C28P 107.5(7) . . ?
C28P C25P C26P 124.4(7) . . ?
C25P C26P C27P 112.9(6) . . ?
N4P C28P C25P 111.0(7) . . ?
C29P C28P N4P 124.0(7) . . ?
C29P C28P C25P 125.1(7) . . ?
C30P C29P C28P 125.6(7) . . ?
N1P C30P C31P 110.4(7) . . ?
C29P C30P N1P 125.1(7) . . ?
C29P C30P C31P 124.4(7) . . ?
C30P C31P C32P 123.9(7) . . ?
C34P C31P C30P 107.9(7) . . ?
C34P C31P C32P 128.1(8) . . ?
C33P C32P C31P 113.2(6) . . ?
C1P C34P C35P 124.8(7) . . ?
C31P C34P C1P 105.7(7) . . ?
C31P C34P C35P 129.3(7) . . ?
C36P C35P C34P 112.1(7) . . ?
C6S C1S C2S 119.5(11) . . ?
C3S C2S C1S 120.8(10) . . ?
C2S C3S C4S 118.5(10) . . ?
C3S C4S C5S 120.3(11) . . ?
C6S C5S C4S 117.6(10) . . ?
C5S C6S C1S 123.0(10) . . ?
S2S C7S S1S 178.1(12) . . ?

loop_
_platon_missing_refln_index_h
_platon_missing_refln_index_k
_platon_missing_refln_index_l
_platon_missing_refln_theta
0 2 0 5.333
-1 1 1 3.780
-1 0 2 3.763
0 0 2 3.585
1 0 2 4.985
3 0 2 9.450
0 1 3 6.008
2 0 4 10.009
0 3 5 12.090
2 0 6 13.310
-2 1 7 12.491
0 1 7 12.928
1 1 7 13.905
-1 0 8 13.946

_platon_squeeze_details          
;
TITL dy2oc74_a.res in P2(1)/c
CELL   17.9140   16.5890   25.7530     90.00    106.78     90.00
SPGR P21/c
# Solvent Accessible Volume =       359
# Electrons Found in S.A.V. =        92
# Note: Atoms in Void are Labelled as Cxxx and Qxxx for all Others
C101 0.925 0.499 0.003 !       4.66 eA-3
C102 0.979 0.484 0.052 !       4.50 eA-3
C103 0.050 0.487 0.048 !       4.26 eA-3
Q104 0.912 0.543 0.447 !       2.33 eA-3
Q105 0.201 0.020 0.149 !       2.03 eA-3
Q106 0.885 0.566 0.289 !       1.98 eA-3
Q107 0.453 0.097 0.204 !       1.88 eA-3
Q108 0.751 0.034 0.586 !       1.82 eA-3
Q109 0.179 0.074 0.359 !       1.81 eA-3
Q110 0.501 0.012 0.570 !       1.81 eA-3
Q111 0.614 0.031 0.556 !       1.80 eA-3
Q112 0.845 0.340 0.251 !       1.62 eA-3
Q113 0.907 0.974 0.712 !       1.61 eA-3
Q114 0.434 0.092 0.429 !       1.57 eA-3
Q115 0.408 0.046 0.695 !       1.55 eA-3
Q116 0.408 0.517 0.665 !       1.52 eA-3
Q117 0.103 0.549 0.703 !       1.50 eA-3
Q118 0.293 0.175 0.370 !       1.50 eA-3
Q119 0.418 0.982 0.624 !       1.45 eA-3
Q120 0.582 0.018 0.376 !       1.45 eA-3
Q121 0.535 0.861 0.362 !       1.41 eA-3
Q122 0.915 0.453 0.234 !       1.40 eA-3
Q123 0.519 0.933 0.227 !       1.37 eA-3
Q124 0.593 0.528 0.336 !       1.35 eA-3
Q125 0.398 0.530 0.173 !       1.34 eA-3
Q126 0.753 0.988 0.689 !       1.34 eA-3
Q127 0.438 0.077 0.627 !       1.33 eA-3
Q128 0.568 0.060 0.372 !       1.32 eA-3
Q129 0.516 0.348 0.808 !       1.32 eA-3
Q130 0.321 0.139 0.181 !       1.30 eA-3
Q131 0.752 0.331 0.302 !       1.27 eA-3
Q132 0.530 0.527 0.735 !       1.25 eA-3
Q133 0.372 0.188 0.238 !       1.24 eA-3
Q134 0.760 0.153 0.820 !       1.23 eA-3
Q135 0.488 0.845 0.255 !       1.23 eA-3
Q136 0.171 0.341 0.768 !       1.20 eA-3
Q137 0.943 0.485 0.437 !       1.19 eA-3
Q138 0.689 0.354 0.098 !       1.18 eA-3
Q139 0.166 0.947 0.169 !       1.18 eA-3
Q140 0.141 0.953 0.344 !       1.17 eA-3
Q141 0.544 0.296 0.168 !       1.17 eA-3
Q142 0.708 0.640 0.111 !       1.16 eA-3
Q143 0.397 0.767 0.324 !       1.16 eA-3
Q144 0.812 0.391 0.324 !       1.14 eA-3
Q145 0.416 0.188 0.367 !       1.14 eA-3
Q146 0.255 0.988 0.265 !       1.13 eA-3
Q147 0.400 0.203 0.333 !       1.11 eA-3
Q148 0.400 0.297 0.823 !       1.11 eA-3
Q149 0.766 0.656 0.298 !       1.11 eA-3
Q150 0.508 0.480 0.212 !       1.11 eA-3
Q151 0.119 0.981 0.040 !       1.11 eA-3
Q152 0.264 0.794 0.217 !       1.10 eA-3
Q153 0.760 0.216 0.725 !       1.10 eA-3
Q154 0.419 0.984 0.314 !       1.08 eA-3
Q155 0.562 0.608 0.802 !       1.08 eA-3
Q156 0.469 0.908 0.602 !       1.06 eA-3
Q157 0.652 0.267 0.233 !       1.06 eA-3
Q158 0.330 0.847 0.177 !       1.05 eA-3
Q159 0.293 0.609 0.653 !       1.05 eA-3
Q160 0.672 0.524 0.353 !       1.04 eA-3
Q161 0.788 0.831 0.773 !       1.03 eA-3
Q162 0.304 0.768 0.315 !       1.03 eA-3
Q163 0.306 0.933 0.149 !       1.01 eA-3
Q164 0.494 0.641 0.122 !       1.01 eA-3
Q165 0.694 0.442 0.352 !       1.00 eA-3
Q166 0.388 0.831 0.206 !       1.00 eA-3
Q167 0.291 0.460 0.923 !       1.00 eA-3
Q168 0.642 0.331 0.103 !       0.99 eA-3
Q169 0.971 0.116 0.921 !       0.99 eA-3
Q170 0.448 0.607 0.204 !       0.99 eA-3
Q171 0.880 0.127 0.717 !       0.98 eA-3
Q172 0.455 0.601 0.928 !       0.98 eA-3
Q173 0.825 0.848 0.698 !       0.98 eA-3
Q174 0.189 0.513 0.789 !       0.98 eA-3
Q175 0.734 0.821 0.771 !       0.98 eA-3
Q176 0.734 0.281 0.184 !       0.96 eA-3
Q177 0.209 0.189 0.286 !       0.96 eA-3
Q178 0.654 0.308 0.118 !       0.95 eA-3
Q179 0.708 0.603 0.341 !       0.94 eA-3
Q180 0.409 0.174 0.228 !       0.91 eA-3
Q181 0.486 0.015 0.321 !       0.90 eA-3
C182 0.109 0.479 0.093 !       0.88 eA-3
Q183 0.935 0.033 0.965 !       0.86 eA-3
Q184 0.113 0.529 0.567 !       0.84 eA-3
Q185 0.755 0.019-0.003 !       0.84 eA-3
Q186 0.031 0.700 0.415 !       0.83 eA-3
Q187 0.840 0.390 0.167 !       0.83 eA-3
Q188 0.748 0.566 0.237 !       0.83 eA-3
Q189 0.566 0.528 0.226 !       0.82 eA-3
Q190 0.985 0.590 0.428 !       0.82 eA-3
Q191 0.966 0.267 0.096 !       0.81 eA-3
Q192 0.870 0.112 0.790 !       0.81 eA-3
Q193 0.631 0.371 0.328 !       0.79 eA-3
Q194 0.642 0.718 0.232 !       0.79 eA-3
Q195 0.154 0.611 0.527 !       0.78 eA-3
Q196 0.696 0.387 0.260 !       0.78 eA-3
Q197 0.472 0.566 0.257 !       0.78 eA-3
Q198 0.959 0.656 0.429 !       0.75 eA-3
Q199 0.145 0.929 0.023 !       0.74 eA-3
;
loop_
_platon_squeeze_void_nr
_platon_squeeze_void_average_x
_platon_squeeze_void_average_y
_platon_squeeze_void_average_z
_platon_squeeze_void_volume
_platon_squeeze_void_count_electrons
_platon_squeeze_void_content
1 0.000 0.000 0.500 180 46 ' '
2 0.000 0.500 0.000 180 46 ' '

_platon_squeeze_void_probe_radius 1.20

_olex2_submission_special_instructions 'No special instructions were received'
