# Electronic Supplementary Material (ESI) for Inorganic Chemistry Frontiers.
# This journal is © the Partner Organisations 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_sc3n@c80-100k
_database_code_depnum_ccdc_archive 'CCDC 2027144'
loop_
_audit_author_name
_audit_author_address
'Fupin Liu'
;Leibniz Institute for Solid State and Materials Research, Dresden
Germany
;
_audit_update_record             
;
2020-09-03 deposited with the CCDC.	2020-11-03 downloaded from the CCDC.
;
# start Validation Reply Form
_vrf_PLAT308_sc3n@c80-100k       
;
PROBLEM: Single Bonded Metal Atom 
RESPONSE: This is disordered endohedral metal atom
;
_vrf_PLAT029_sc3n@c80-100k       
;
PROBLEM: diffrn_measured_fraction_theta_full value low
RESPONSE: This is caused by the limited phi scan with synchrotron radiation 
X-ray diffraction facility
;

_audit_creation_method           SHELXL-2018/3
_shelx_SHELXL_version_number     2018/3
_chemical_name_systematic        ?
_chemical_name_common            ;Sc3N@Ih(7)-C80/NiOEP/2C6H6;
_chemical_melting_point          ?
_chemical_formula_moiety         ;Sc3N@C80/NiOEP/2C6H6;
_chemical_formula_sum            'C128 H56 N5 Ni Sc3'
_chemical_formula_weight         1857.36

loop_
_atom_type_symbol
_atom_type_description
_atom_type_scat_dispersion_real
_atom_type_scat_dispersion_imag
_atom_type_scat_source
C C 0.0048 0.0021 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
H H 0.0000 0.0000 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
N N 0.0087 0.0042 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Sc Sc 0.3094 0.4822 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Ni Ni 0.3285 1.3900 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'

_space_group_crystal_system      triclinic
_space_group_IT_number           2
_space_group_name_H-M_alt        'P -1'
_space_group_name_Hall           '-P 1'

_shelx_space_group_comment       
;
The symmetry employed for this shelxl refinement is uniquely defined
by the following loop, which should always be used as a source of
symmetry information in preference to the above space-group names.
They are only intended as comments.
;

loop_
_space_group_symop_operation_xyz
'x, y, z'
'-x, -y, -z'

_cell_length_a                   14.720(3)
_cell_length_b                   15.390(3)
_cell_length_c                   17.670(4)
_cell_angle_alpha                81.17(3)
_cell_angle_beta                 74.54(3)
_cell_angle_gamma                86.24(3)
_cell_volume                     3811.1(15)
_cell_formula_units_Z            2
_cell_measurement_temperature    100(2)
_cell_measurement_reflns_used    71526
_cell_measurement_theta_min      2.367
_cell_measurement_theta_max      36.653

_exptl_crystal_description       block
_exptl_crystal_colour            black
_exptl_crystal_density_meas      ?
_exptl_crystal_density_method    ?
_exptl_crystal_density_diffrn    1.619
_exptl_crystal_F_000             1900
_exptl_transmission_factor_min   ?
_exptl_transmission_factor_max   ?
_exptl_crystal_size_max          0.100
_exptl_crystal_size_mid          0.080
_exptl_crystal_size_min          0.060
_exptl_absorpt_coefficient_mu    0.785
_shelx_estimated_absorpt_T_min   0.926
_shelx_estimated_absorpt_T_max   0.954
_exptl_absorpt_correction_type   ?
_exptl_absorpt_correction_T_min  ?
_exptl_absorpt_correction_T_max  ?
_exptl_absorpt_process_details   ?
_exptl_absorpt_special_details   ?
_diffrn_ambient_temperature      100(2)
_diffrn_radiation_wavelength     0.7999
_diffrn_radiation_type           synchrotron
_diffrn_source                   'BESSY BL MX-14.2'
_diffrn_measurement_device_type  PILATUS
_diffrn_measurement_method       'phi scan'
_diffrn_detector_area_resol_mean ?
_diffrn_reflns_number            71526
_diffrn_reflns_av_unetI/netI     0.0266
_diffrn_reflns_av_R_equivalents  0.0289
_diffrn_reflns_limit_h_min       -20
_diffrn_reflns_limit_h_max       20
_diffrn_reflns_limit_k_min       -20
_diffrn_reflns_limit_k_max       20
_diffrn_reflns_limit_l_min       -25
_diffrn_reflns_limit_l_max       25
_diffrn_reflns_theta_min         2.367
_diffrn_reflns_theta_max         36.653
_diffrn_reflns_theta_full        28.681
_diffrn_measured_fraction_theta_max 0.782
_diffrn_measured_fraction_theta_full 0.914
_diffrn_reflns_Laue_measured_fraction_max 0.782
_diffrn_reflns_Laue_measured_fraction_full 0.914
_diffrn_reflns_point_group_measured_fraction_max 0.782
_diffrn_reflns_point_group_measured_fraction_full 0.914
_reflns_number_total             20749
_reflns_number_gt                20586
_reflns_threshold_expression     'I > 2σ(I)'
_reflns_Friedel_coverage         0.000
_reflns_Friedel_fraction_max     .
_reflns_Friedel_fraction_full    .

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

_computing_data_collection       XDS
_computing_cell_refinement       XDS
_computing_data_reduction        XDS
_computing_structure_solution    'SHELXT 2014/5 (Sheldrick, 2014)'
_computing_structure_refinement  'SHELXL-2018/3 (Sheldrick, 2018)'
_computing_molecular_graphics    ?
_computing_publication_material  ?
_refine_special_details          ?
_refine_ls_structure_factor_coef Fsqd
_refine_ls_matrix_type           full
_refine_ls_weighting_scheme      calc
_refine_ls_weighting_details     
'w=1/[σ²(Fo²)+(0.1365P)²+10.3860P] where P=(Fo²+2Fc²)/3'
_atom_sites_solution_primary     ?
_atom_sites_solution_secondary   ?
_atom_sites_solution_hydrogens   geom
_refine_ls_hydrogen_treatment    constr
_refine_ls_extinction_method     none
_refine_ls_extinction_coef       .
_refine_ls_number_reflns         20749
_refine_ls_number_parameters     1333
_refine_ls_number_restraints     133
_refine_ls_R_factor_all          0.0879
_refine_ls_R_factor_gt           0.0875
_refine_ls_wR_factor_ref         0.2417
_refine_ls_wR_factor_gt          0.2414
_refine_ls_goodness_of_fit_ref   1.014
_refine_ls_restrained_S_all      1.020
_refine_ls_shift/su_max          0.004
_refine_ls_shift/su_mean         0.000

loop_
_atom_site_label
_atom_site_type_symbol
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_U_iso_or_equiv
_atom_site_adp_type
_atom_site_occupancy
_atom_site_site_symmetry_order
_atom_site_calc_flag
_atom_site_refinement_flags_posn
_atom_site_refinement_flags_adp
_atom_site_refinement_flags_occupancy
_atom_site_disorder_assembly
_atom_site_disorder_group
N1 N 0.55988(14) 0.79164(15) 0.76235(12) 0.0157(4) Uani 1 1 d . . . A 1
Sc1 Sc 0.6191(3) 0.7320(6) 0.6670(3) 0.0334(12) Uani 0.231(3) 1 d . U P B 2
Sc2 Sc 0.44934(10) 0.86594(12) 0.81249(16) 0.0493(6) Uani 0.478(3) 1 d . U P B
2
Sc3 Sc 0.6281(2) 0.71003(17) 0.8324(2) 0.0278(6) Uani 0.290(3) 1 d . U P B 2
Sc4 Sc 0.5947(5) 0.6989(5) 0.6911(5) 0.0554(17) Uani 0.183(3) 1 d . U P B 2
Sc5 Sc 0.6163(5) 0.7869(4) 0.8542(3) 0.0505(13) Uani 0.202(3) 1 d . U P B 2
Sc6 Sc 0.4326(4) 0.8546(5) 0.7723(5) 0.0525(15) Uani 0.170(3) 1 d . U P B 2
Sc7 Sc 0.6706(2) 0.7476(3) 0.8085(2) 0.0365(10) Uani 0.213(3) 1 d . U P B 2
Sc8 Sc 0.4915(3) 0.9106(3) 0.7615(4) 0.0541(12) Uani 0.225(3) 1 d . U P B 2
Sc9 Sc 0.6044(3) 0.7693(2) 0.64829(11) 0.0339(6) Uani 0.464(3) 1 d . U P B 2
Sc10 Sc 0.4637(7) 0.8857(7) 0.7362(7) 0.0578(19) Uani 0.136(3) 1 d . U P B 2
Sc11 Sc 0.6521(12) 0.7992(12) 0.8268(10) 0.043(2) Uani 0.070(3) 1 d . U P B 2
Sc12 Sc 0.5919(4) 0.7296(4) 0.8611(3) 0.0470(11) Uani 0.232(3) 1 d . U P B 2
Sc13 Sc 0.5567(10) 0.7702(7) 0.6552(5) 0.0455(19) Uani 0.107(3) 1 d . U P B 2
C1 C 0.7836(3) 0.6484(3) 0.6546(2) 0.0382(8) Uani 1 1 d . . . C 1
C2 C 0.8104(3) 0.6563(3) 0.7272(3) 0.0452(10) Uani 1 1 d . . . C 1
C3 C 0.8433(2) 0.7408(3) 0.7229(2) 0.0437(10) Uani 1 1 d . . . C 1
C4 C 0.8403(2) 0.7921(3) 0.6469(2) 0.0423(9) Uani 1 1 d . . . C 1
C5 C 0.8042(3) 0.7340(4) 0.6060(2) 0.0500(11) Uani 1 1 d . . . C 1
C6 C 0.7517(3) 0.7670(3) 0.5494(2) 0.0453(10) Uani 1 1 d . . . C 1
C7 C 0.7351(2) 0.8602(3) 0.54051(17) 0.0374(8) Uani 1 1 d . . . C 1
C8 C 0.7663(3) 0.9178(3) 0.5833(2) 0.0405(9) Uani 1 1 d . . . C 1
C9 C 0.8200(2) 0.8817(3) 0.6399(2) 0.0439(9) Uani 1 1 d . . . C 1
C10 C 0.8077(3) 0.9242(3) 0.7064(3) 0.0460(10) Uani 1 1 d . . . C 1
C11 C 0.7411(3) 0.9957(3) 0.7198(2) 0.0426(9) Uani 1 1 d . . . C 1
C12 C 0.6853(3) 1.0263(3) 0.6683(2) 0.0424(9) Uani 1 1 d . . . C 1
C13 C 0.7006(3) 0.9872(3) 0.5975(2) 0.0420(9) Uani 1 1 d . . . C 1
C14 C 0.6249(3) 0.9752(3) 0.56292(19) 0.0365(8) Uani 1 1 d . . . C 1
C15 C 0.5305(3) 1.0012(3) 0.5983(2) 0.0406(8) Uani 1 1 d . . . C 1
C16 C 0.5154(3) 1.0477(3) 0.6655(2) 0.0414(8) Uani 1 1 d . . . C 1
C17 C 0.5922(3) 1.0579(3) 0.6987(3) 0.0448(9) Uani 1 1 d . . . C 1
C18 C 0.5550(3) 1.0544(2) 0.7818(3) 0.0427(9) Uani 1 1 d . . . C 1
C19 C 0.4564(3) 1.0414(3) 0.8015(3) 0.0447(9) Uani 1 1 d . . . C 1
C20 C 0.4296(3) 1.0358(3) 0.7278(3) 0.0481(10) Uani 1 1 d . . . C 1
C21 C 0.3577(3) 0.9804(3) 0.7257(2) 0.0438(10) Uani 1 1 d . . . C 1
C22 C 0.3042(3) 0.9336(3) 0.7998(3) 0.0490(11) Uani 1 1 d . . . C 1
C23 C 0.3288(3) 0.9410(3) 0.8746(2) 0.0409(8) Uani 1 1 d . . . C 1
C24 C 0.4052(3) 0.9917(3) 0.8743(3) 0.0477(10) Uani 1 1 d . . . C 1
C25 C 0.4618(3) 0.9597(3) 0.9262(2) 0.0477(10) Uani 1 1 d . . . C 1
C26 C 0.4398(3) 0.8740(3) 0.9778(2) 0.0451(9) Uani 1 1 d . . . C 1
C27 C 0.3701(3) 0.8184(4) 0.9741(2) 0.0513(12) Uani 1 1 d . . . C 1
C28 C 0.3118(3) 0.8548(4) 0.9214(3) 0.0549(12) Uani 1 1 d . . . C 1
C29 C 0.2808(2) 0.7948(4) 0.8783(3) 0.0495(11) Uani 1 1 d . . . C 1
C30 C 0.2996(3) 0.7041(4) 0.8854(3) 0.0530(12) Uani 1 1 d . . . C 1
C31 C 0.3528(3) 0.6679(3) 0.9428(2) 0.0494(11) Uani 1 1 d . . . C 1
C32 C 0.3850(3) 0.7252(3) 0.9845(2) 0.0446(10) Uani 1 1 d . . . C 1
C33 C 0.4751(3) 0.6904(3) 0.99738(18) 0.0406(9) Uani 1 1 d . . . C 1
C34 C 0.4960(3) 0.6100(3) 0.9624(2) 0.0419(9) Uani 1 1 d . . . C 1
C35 C 0.4191(4) 0.5971(3) 0.9288(2) 0.0515(11) Uani 1 1 d . . . C 1
C36 C 0.4331(4) 0.5585(3) 0.8587(3) 0.0536(12) Uani 1 1 d . . . C 1
C37 C 0.5257(4) 0.5264(3) 0.8291(3) 0.0525(11) Uani 1 1 d . . . C 1
C38 C 0.6038(4) 0.5388(3) 0.8611(3) 0.0505(10) Uani 1 1 d . . . C 1
C39 C 0.5902(4) 0.5830(3) 0.9291(2) 0.0486(10) Uani 1 1 d . . . C 1
C40 C 0.6647(3) 0.6345(3) 0.9347(2) 0.0430(9) Uani 1 1 d . . . C 1
C41 C 0.7507(3) 0.6471(3) 0.8711(2) 0.0471(10) Uani 1 1 d . . . C 1
C42 C 0.7613(3) 0.6074(3) 0.7996(2) 0.0492(12) Uani 1 1 d . . . C 1
C43 C 0.6890(4) 0.5525(3) 0.7976(3) 0.0504(10) Uani 1 1 d . . . C 1
C44 C 0.6624(4) 0.5452(3) 0.7250(3) 0.0500(11) Uani 1 1 d . . . C 1
C45 C 0.7118(3) 0.5962(3) 0.6538(3) 0.0470(10) Uani 1 1 d . . . C 1
C46 C 0.6601(4) 0.6249(3) 0.5961(3) 0.0534(12) Uani 1 1 d . . . C 1
C47 C 0.5581(3) 0.6126(3) 0.6164(2) 0.0468(10) Uani 1 1 d . . . C 1
C48 C 0.5079(4) 0.5664(3) 0.6913(3) 0.0508(11) Uani 1 1 d . . . C 1
C49 C 0.5645(4) 0.5301(3) 0.7443(3) 0.0483(10) Uani 1 1 d . . . C 1
C50 C 0.3771(4) 0.5890(3) 0.8062(3) 0.0538(12) Uani 1 1 d . . . C 1
C51 C 0.4145(4) 0.5927(3) 0.7234(3) 0.0578(13) Uani 1 1 d . . . C 1
C52 C 0.3730(3) 0.6666(3) 0.6836(3) 0.0542(12) Uani 1 1 d . . . C 1
C53 C 0.3071(3) 0.7106(4) 0.7444(3) 0.0528(12) Uani 1 1 d . . . C 1
C54 C 0.3110(3) 0.6617(4) 0.8197(3) 0.0567(13) Uani 1 1 d . . . C 1
C55 C 0.2758(2) 0.8462(3) 0.8023(3) 0.0456(10) Uani 1 1 d . . . C 1
C56 C 0.2937(2) 0.8006(3) 0.7339(3) 0.0459(10) Uani 1 1 d . . . C 1
C57 C 0.3404(2) 0.8498(3) 0.6601(2) 0.0450(10) Uani 1 1 d . . . C 1
C58 C 0.3721(3) 0.9370(3) 0.6567(2) 0.0434(9) Uani 1 1 d . . . C 1
C59 C 0.4573(3) 0.9488(3) 0.5945(2) 0.0379(8) Uani 1 1 d . . . C 1
C60 C 0.4796(3) 0.8684(3) 0.55783(19) 0.0404(9) Uani 1 1 d . . . C 1
C61 C 0.4046(3) 0.8078(3) 0.5992(2) 0.0455(10) Uani 1 1 d . . . C 1
C62 C 0.4233(3) 0.7174(3) 0.6114(3) 0.0489(10) Uani 1 1 d . . . C 1
C63 C 0.5179(3) 0.6858(3) 0.5765(2) 0.0474(10) Uani 1 1 d . . . C 1
C64 C 0.5928(4) 0.7464(3) 0.5303(2) 0.0464(10) Uani 1 1 d . . . C 1
C65 C 0.5732(3) 0.8398(3) 0.52441(18) 0.0383(8) Uani 1 1 d . . . C 1
C66 C 0.6443(3) 0.8957(3) 0.52773(17) 0.0351(7) Uani 1 1 d . . . C 1
C67 C 0.6822(3) 0.7087(3) 0.5422(2) 0.0465(10) Uani 1 1 d . . . C 1
C68 C 0.8108(3) 0.8755(3) 0.7817(3) 0.0470(10) Uani 1 1 d . . . C 1
C69 C 0.7451(3) 0.9187(3) 0.8425(3) 0.0450(9) Uani 1 1 d . . . C 1
C70 C 0.7044(3) 0.9924(3) 0.8035(3) 0.0461(10) Uani 1 1 d . . . C 1
C71 C 0.6114(3) 1.0189(3) 0.8351(3) 0.0451(10) Uani 1 1 d . . . C 1
C72 C 0.5607(3) 0.9735(3) 0.9089(2) 0.0404(8) Uani 1 1 d . . . C 1
C73 C 0.6007(3) 0.9002(3) 0.9486(2) 0.0453(10) Uani 1 1 d . . . C 1
C74 C 0.6944(3) 0.8693(3) 0.9146(2) 0.0463(10) Uani 1 1 d . . . C 1
C75 C 0.7142(3) 0.7781(3) 0.9262(2) 0.0468(10) Uani 1 1 d . . . C 1
C76 C 0.6412(3) 0.7162(3) 0.9692(2) 0.0445(10) Uani 1 1 d . . . C 1
C77 C 0.5454(3) 0.7456(3) 0.99970(18) 0.0402(8) Uani 1 1 d . . . C 1
C78 C 0.5264(3) 0.8381(3) 0.99099(18) 0.0432(9) Uani 1 1 d . . . C 1
C79 C 0.7797(3) 0.7353(4) 0.8662(2) 0.0474(11) Uani 1 1 d . . . C 1
C80 C 0.8272(2) 0.7853(3) 0.7909(2) 0.0424(9) Uani 1 1 d . . . C 1
Ni1P Ni 0.92678(2) 0.54052(2) 0.58052(2) 0.01164(9) Uani 1 1 d . . . D 1
N1P N 0.88587(14) 0.56916(14) 0.48228(12) 0.0141(4) Uani 1 1 d . . . D 1
N2P N 1.00296(13) 0.64592(14) 0.55127(12) 0.0133(4) Uani 1 1 d . . . D 1
N3P N 0.96369(14) 0.51470(15) 0.68056(12) 0.0153(4) Uani 1 1 d . . . D 1
N4P N 0.84625(14) 0.43798(15) 0.61171(12) 0.0152(4) Uani 1 1 d . . . D 1
C1P C 0.82313(16) 0.52434(17) 0.45741(14) 0.0153(4) Uani 1 1 d . . . D 1
C2P C 0.80742(17) 0.56901(18) 0.38331(15) 0.0179(5) Uani 1 1 d . . . D 1
C3P C 0.86090(18) 0.64177(19) 0.36270(15) 0.0186(5) Uani 1 1 d . . . D 1
C4P C 0.90967(17) 0.64038(17) 0.42412(14) 0.0159(4) Uani 1 1 d . . . D 1
C5P C 0.97051(17) 0.70448(18) 0.42398(14) 0.0168(4) Uani 1 1 d . . . D 1
H5P H 0.984313 0.749546 0.379655 0.020 Uiso 1 1 calc R U . D 1
C6P C 1.01264(16) 0.70706(17) 0.48453(14) 0.0152(4) Uani 1 1 d . . . D 1
C7P C 1.07165(17) 0.77821(18) 0.48537(16) 0.0187(5) Uani 1 1 d . . . D 1
C8P C 1.09894(17) 0.75951(18) 0.55397(16) 0.0187(5) Uani 1 1 d . . . D 1
C9P C 1.05651(15) 0.67731(17) 0.59380(14) 0.0148(4) Uani 1 1 d . . . D 1
C10P C 1.06777(16) 0.63721(18) 0.66609(14) 0.0165(4) Uani 1 1 d . . . D 1
H10P H 1.109041 0.663011 0.688982 0.020 Uiso 1 1 calc R U . D 1
C11P C 1.02273(16) 0.56199(18) 0.70704(14) 0.0164(4) Uani 1 1 d . . . D 1
C12P C 1.02914(17) 0.5245(2) 0.78566(15) 0.0224(5) Uani 1 1 d . . . D 1
C13P C 0.97276(19) 0.4535(2) 0.80747(16) 0.0259(6) Uani 1 1 d . . . D 1
C14P C 0.93326(17) 0.4476(2) 0.74185(15) 0.0203(5) Uani 1 1 d . . . D 1
C15P C 0.87162(18) 0.3840(2) 0.74203(16) 0.0225(5) Uani 1 1 d . . . D 1
H15P H 0.856087 0.340160 0.787192 0.027 Uiso 1 1 calc R U . D 1
C16P C 0.83103(17) 0.37994(18) 0.68099(16) 0.0191(5) Uani 1 1 d . . . D 1
C17P C 0.76536(18) 0.31289(18) 0.68228(17) 0.0206(5) Uani 1 1 d . . . D 1
C18P C 0.74164(17) 0.33028(18) 0.61216(17) 0.0198(5) Uani 1 1 d . . . D 1
C19P C 0.79086(16) 0.40816(17) 0.56965(15) 0.0160(4) Uani 1 1 d . . . D 1
C20P C 0.78017(16) 0.44846(17) 0.49731(15) 0.0168(4) Uani 1 1 d . . . D 1
H20P H 0.740370 0.421799 0.473595 0.020 Uiso 1 1 calc R U . D 1
C21P C 0.73861(19) 0.5410(2) 0.34339(17) 0.0230(5) Uani 1 1 d . . . D 1
H21A H 0.740484 0.476058 0.347794 0.028 Uiso 1 1 calc R U . D 1
H21B H 0.757079 0.565181 0.286355 0.028 Uiso 1 1 calc R U . D 1
C22P C 0.6381(2) 0.5728(3) 0.3805(2) 0.0358(8) Uani 1 1 d . . . D 1
H22A H 0.595145 0.554555 0.352331 0.054 Uiso 1 1 calc R U . D 1
H22B H 0.636165 0.637079 0.376373 0.054 Uiso 1 1 calc R U . D 1
H22C H 0.618780 0.547076 0.436442 0.054 Uiso 1 1 calc R U . D 1
C23P C 0.8668(2) 0.7134(2) 0.29388(17) 0.0264(6) Uani 1 1 d . . . D 1
H23A H 0.847436 0.690203 0.251457 0.032 Uiso 1 1 calc R U . D 1
H23B H 0.933078 0.731638 0.272454 0.032 Uiso 1 1 calc R U . D 1
C24P C 0.8044(3) 0.7938(3) 0.3168(2) 0.0379(8) Uani 1 1 d . . . D 1
H24A H 0.811256 0.838962 0.270237 0.057 Uiso 1 1 calc R U . D 1
H24B H 0.823587 0.817273 0.358521 0.057 Uiso 1 1 calc R U . D 1
H24C H 0.738404 0.776486 0.336325 0.057 Uiso 1 1 calc R U . D 1
C25P C 1.0929(2) 0.8568(2) 0.42287(18) 0.0259(6) Uani 1 1 d . . . D 1
H25A H 1.114441 0.836695 0.370209 0.031 Uiso 1 1 calc R U . D 1
H25B H 1.145153 0.888740 0.430736 0.031 Uiso 1 1 calc R U . D 1
C26P C 1.0087(2) 0.9197(2) 0.4236(2) 0.0322(6) Uani 1 1 d . . . D 1
H26A H 1.027131 0.970313 0.382341 0.048 Uiso 1 1 calc R U . D 1
H26B H 0.986930 0.939928 0.475537 0.048 Uiso 1 1 calc R U . D 1
H26C H 0.957616 0.889284 0.413348 0.048 Uiso 1 1 calc R U . D 1
C27P C 1.1577(2) 0.8125(2) 0.58643(19) 0.0260(6) Uani 1 1 d . . . D 1
H27A H 1.194422 0.854630 0.542670 0.031 Uiso 1 1 calc R U . D 1
H27B H 1.203027 0.772587 0.608200 0.031 Uiso 1 1 calc R U . D 1
C28P C 1.0987(2) 0.8633(3) 0.6516(3) 0.0426(10) Uani 1 1 d . . . D 1
H28A H 1.051660 0.900898 0.631152 0.064 Uiso 1 1 calc R U . D 1
H28B H 1.139940 0.899855 0.668088 0.064 Uiso 1 1 calc R U . D 1
H28C H 1.066636 0.821670 0.697163 0.064 Uiso 1 1 calc R U . D 1
C29P C 1.0835(2) 0.5630(3) 0.83249(17) 0.0294(6) Uani 1 1 d . . . D 1
H29A H 1.146293 0.579847 0.797596 0.035 Uiso 1 1 calc R U . D 1
H29B H 1.093311 0.517566 0.875935 0.035 Uiso 1 1 calc R U . D 1
C30P C 1.0339(3) 0.6440(3) 0.8681(2) 0.0444(10) Uani 1 1 d . . . D 1
H30A H 1.020376 0.687837 0.825839 0.067 Uiso 1 1 calc R U . D 1
H30B H 1.075003 0.669333 0.894037 0.067 Uiso 1 1 calc R U . D 1
H30C H 0.974814 0.626496 0.907223 0.067 Uiso 1 1 calc R U . D 1
C31P C 0.9490(2) 0.3945(3) 0.8855(2) 0.0430(10) Uani 1 1 d . . . D 1
H31A H 1.001453 0.393934 0.910887 0.052 Uiso 1 1 calc R U . D 1
H31B H 0.942108 0.333742 0.876225 0.052 Uiso 1 1 calc R U . D 1
C32P C 0.8581(3) 0.4240(5) 0.9416(2) 0.078(2) Uani 1 1 d . . . D 1
H32A H 0.805339 0.421800 0.917921 0.117 Uiso 1 1 calc R U . D 1
H32B H 0.864298 0.484401 0.950558 0.117 Uiso 1 1 calc R U . D 1
H32C H 0.846322 0.384896 0.992272 0.117 Uiso 1 1 calc R U . D 1
C33P C 0.7297(2) 0.2419(2) 0.74970(19) 0.0296(6) Uani 1 1 d . . . D 1
H33A H 0.780698 0.222212 0.775769 0.035 Uiso 1 1 calc R U . D 1
H33B H 0.712582 0.190950 0.728690 0.035 Uiso 1 1 calc R U . D 1
C34P C 0.6450(3) 0.2712(3) 0.8105(2) 0.0479(11) Uani 1 1 d . . . D 1
H34A H 0.593144 0.288149 0.785670 0.072 Uiso 1 1 calc R U . D 1
H34B H 0.661351 0.321748 0.831493 0.072 Uiso 1 1 calc R U . D 1
H34C H 0.625412 0.222875 0.853944 0.072 Uiso 1 1 calc R U . D 1
C35P C 0.67648(19) 0.2798(2) 0.58326(19) 0.0254(6) Uani 1 1 d . . . D 1
H35A H 0.677883 0.217411 0.607220 0.030 Uiso 1 1 calc R U . D 1
H35B H 0.699834 0.282271 0.525017 0.030 Uiso 1 1 calc R U . D 1
C36P C 0.5754(2) 0.3148(3) 0.6031(2) 0.0385(8) Uani 1 1 d . . . D 1
H36A H 0.536587 0.279677 0.582625 0.058 Uiso 1 1 calc R U . D 1
H36B H 0.573181 0.376301 0.578824 0.058 Uiso 1 1 calc R U . D 1
H36C H 0.551040 0.310959 0.660830 0.058 Uiso 1 1 calc R U . D 1
C1S C 0.7331(3) 0.6210(3) 1.1157(2) 0.0360(7) Uani 1 1 d . . . E 1
H1S H 0.732932 0.560321 1.111001 0.043 Uiso 1 1 calc R U . E 1
C2S C 0.6552(3) 0.6599(3) 1.1639(2) 0.0376(7) Uani 1 1 d . . . E 1
H2S H 0.602386 0.625082 1.191712 0.045 Uiso 1 1 calc R U . E 1
C3S C 0.6532(3) 0.7468(3) 1.1720(3) 0.0427(9) Uani 1 1 d . . . E 1
H3S H 0.599409 0.772855 1.204433 0.051 Uiso 1 1 calc R U . E 1
C4S C 0.7327(3) 0.7969(3) 1.1312(3) 0.0508(10) Uani 1 1 d . . . E 1
H4S H 0.733314 0.857327 1.136685 0.061 Uiso 1 1 calc R U . E 1
C5S C 0.8097(3) 0.7587(3) 1.0831(3) 0.0483(10) Uani 1 1 d . . . E 1
H5S H 0.863046 0.792815 1.055264 0.058 Uiso 1 1 calc R U . E 1
C6S C 0.8092(2) 0.6698(3) 1.0755(2) 0.0377(8) Uani 1 1 d . . . E 1
H6S H 0.862044 0.643474 1.042246 0.045 Uiso 1 1 calc R U . E 1
C7S C 1.0017(5) 1.0320(5) 0.7955(3) 0.127(4) Uani 1 1 d G . . F 1
H7S H 1.040307 1.036881 0.742583 0.152 Uiso 1 1 calc R U . F 1
C8S C 0.9329(5) 1.0961(4) 0.8176(4) 0.136(4) Uani 1 1 d G . . F 1
H8S H 0.924356 1.144891 0.779909 0.164 Uiso 1 1 calc R U . F 1
C9S C 0.8764(4) 1.0889(6) 0.8950(4) 0.149(5) Uani 1 1 d G . . F 1
H9S H 0.829373 1.132746 0.910191 0.179 Uiso 1 1 calc R U . F 1
C10S C 0.8889(6) 1.0175(8) 0.9503(3) 0.251(12) Uani 1 1 d G . . F 1
H10S H 0.850341 1.012594 1.003148 0.301 Uiso 1 1 calc R U . F 1
C11S C 0.9578(6) 0.9534(7) 0.9281(5) 0.284(14) Uani 1 1 d G . . F 1
H11S H 0.966292 0.904584 0.965824 0.340 Uiso 1 1 calc R U . F 1
C12S C 1.0142(5) 0.9606(5) 0.8507(5) 0.150(5) Uani 1 1 d G . . F 1
H12S H 1.061275 0.916727 0.835542 0.180 Uiso 1 1 calc R U . F 1


_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
Sc1 Sc4 0.667(7) . ?
Sc1 Sc9 0.670(6) . ?
Sc1 Sc13 1.107(13) . ?
Sc1 Sc7 2.847(5) . ?
Sc1 Sc3 2.928(5) . ?
Sc1 Sc11 3.314(16) . ?
Sc1 Sc10 3.319(10) . ?
Sc1 Sc12 3.341(6) . ?
Sc1 Sc6 3.498(7) . ?
Sc1 Sc5 3.527(5) . ?
Sc1 Sc8 3.596(7) . ?
Sc2 Sc6 0.856(8) . ?
Sc2 Sc8 1.112(6) . ?
Sc2 Sc10 1.298(11) . ?
Sc2 Sc5 2.891(6) . ?
Sc2 Sc12 3.062(6) . ?
Sc2 Sc11 3.154(16) . ?
Sc2 Sc13 3.316(10) . ?
Sc2 Sc3 3.495(4) . ?
Sc2 Sc7 3.615(4) . ?
Sc2 Sc9 3.632(3) . ?
Sc3 Sc12 0.717(6) . ?
Sc3 Sc7 0.857(5) . ?
Sc3 Sc5 1.287(6) . ?
Sc3 Sc11 1.422(17) . ?
Sc3 Sc4 2.701(8) . ?
Sc3 Sc9 3.345(4) . ?
Sc3 Sc13 3.535(9) . ?
Sc4 Sc9 1.215(9) . ?
Sc4 Sc13 1.346(13) . ?
Sc4 Sc7 2.817(8) . ?
Sc4 Sc12 3.100(9) . ?
Sc4 Sc11 3.351(16) . ?
Sc4 Sc10 3.431(11) . ?
Sc4 Sc6 3.459(9) . ?
Sc4 Sc5 3.461(8) . ?
Sc5 Sc11 0.629(15) . ?
Sc5 Sc12 0.953(7) . ?
Sc5 Sc7 1.183(7) . ?
Sc5 Sc8 3.141(7) . ?
Sc5 Sc6 3.427(8) . ?
Sc5 Sc10 3.574(10) . ?
Sc6 Sc10 0.790(11) . ?
Sc6 Sc8 1.220(9) . ?
Sc6 Sc13 2.792(13) . ?
Sc6 Sc9 3.226(7) . ?
Sc6 Sc12 3.479(8) . ?
Sc6 Sc11 3.624(16) . ?
Sc7 Sc11 0.902(18) . ?
Sc7 Sc12 1.294(6) . ?
Sc7 Sc9 3.196(4) . ?
Sc7 Sc13 3.510(10) . ?
Sc7 Sc8 3.687(6) . ?
Sc8 Sc10 0.826(10) . ?
Sc8 Sc13 3.020(11) . ?
Sc8 Sc11 3.190(16) . ?
Sc8 Sc9 3.253(5) . ?
Sc8 Sc12 3.519(7) . ?
Sc9 Sc13 0.679(12) . ?
Sc9 Sc10 2.927(10) . ?
Sc9 Sc11 3.511(15) . ?
Sc9 Sc12 3.673(5) . ?
Sc10 Sc13 2.549(14) . ?
Sc10 Sc11 3.640(16) . ?
Sc11 Sc12 1.393(17) . ?
C1 C45 1.375(7) . ?
C1 C5 1.459(7) . ?
C1 C2 1.462(6) . ?
C2 C3 1.401(7) . ?
C2 C42 1.417(6) . ?
C3 C80 1.431(6) . ?
C3 C4 1.459(6) . ?
C4 C9 1.386(7) . ?
C4 C5 1.439(7) . ?
C5 C6 1.435(6) . ?
C6 C7 1.431(7) . ?
C6 C67 1.446(7) . ?
C7 C8 1.420(6) . ?
C7 C66 1.470(5) . ?
C8 C13 1.400(7) . ?
C8 C9 1.457(6) . ?
C9 C10 1.396(6) . ?
C10 C11 1.429(7) . ?
C10 C68 1.435(6) . ?
C11 C12 1.395(7) . ?
C11 C70 1.427(6) . ?
C12 C17 1.415(7) . ?
C12 C13 1.427(6) . ?
C13 C14 1.440(6) . ?
C14 C15 1.421(6) . ?
C14 C66 1.434(6) . ?
C15 C59 1.408(6) . ?
C15 C16 1.441(6) . ?
C16 C17 1.431(6) . ?
C16 C20 1.438(6) . ?
C17 C18 1.419(6) . ?
C18 C19 1.419(6) . ?
C18 C71 1.440(7) . ?
C19 C24 1.437(7) . ?
C19 C20 1.473(7) . ?
C20 C21 1.413(7) . ?
C21 C58 1.439(6) . ?
C21 C22 1.446(6) . ?
C22 C55 1.426(7) . ?
C22 C23 1.480(6) . ?
C23 C24 1.410(7) . ?
C23 C28 1.450(7) . ?
C24 C25 1.413(7) . ?
C25 C72 1.428(6) . ?
C25 C26 1.484(7) . ?
C26 C27 1.398(7) . ?
C26 C78 1.418(7) . ?
C27 C32 1.428(7) . ?
C27 C28 1.456(6) . ?
C28 C29 1.448(8) . ?
C29 C30 1.398(8) . ?
C29 C55 1.468(6) . ?
C30 C54 1.384(7) . ?
C30 C31 1.464(7) . ?
C31 C32 1.409(7) . ?
C31 C35 1.419(8) . ?
C32 C33 1.458(6) . ?
C33 C77 1.393(6) . ?
C33 C34 1.446(6) . ?
C34 C39 1.417(7) . ?
C34 C35 1.447(7) . ?
C35 C36 1.416(7) . ?
C36 C50 1.408(8) . ?
C36 C37 1.410(8) . ?
C37 C38 1.445(7) . ?
C37 C49 1.448(7) . ?
C38 C39 1.431(6) . ?
C38 C43 1.445(7) . ?
C39 C40 1.428(7) . ?
C40 C41 1.453(6) . ?
C40 C76 1.462(7) . ?
C41 C79 1.433(7) . ?
C41 C42 1.453(6) . ?
C42 C43 1.412(8) . ?
C43 C44 1.459(7) . ?
C44 C49 1.416(7) . ?
C44 C45 1.418(7) . ?
C45 C46 1.430(7) . ?
C46 C47 1.465(7) . ?
C46 C67 1.480(7) . ?
C47 C63 1.417(7) . ?
C47 C48 1.435(7) . ?
C48 C51 1.398(8) . ?
C48 C49 1.443(7) . ?
C50 C51 1.413(7) . ?
C50 C54 1.439(8) . ?
C51 C52 1.434(8) . ?
C52 C62 1.433(7) . ?
C52 C53 1.461(7) . ?
C53 C56 1.377(7) . ?
C53 C54 1.438(7) . ?
C55 C56 1.444(6) . ?
C56 C57 1.427(6) . ?
C57 C61 1.435(6) . ?
C57 C58 1.437(7) . ?
C58 C59 1.431(6) . ?
C59 C60 1.462(6) . ?
C60 C65 1.416(6) . ?
C60 C61 1.455(6) . ?
C61 C62 1.395(7) . ?
C62 C63 1.450(7) . ?
C63 C64 1.474(7) . ?
C64 C65 1.442(6) . ?
C64 C67 1.457(7) . ?
C65 C66 1.416(5) . ?
C68 C80 1.384(7) . ?
C68 C69 1.454(6) . ?
C69 C70 1.419(7) . ?
C69 C74 1.423(6) . ?
C70 C71 1.392(7) . ?
C71 C72 1.420(6) . ?
C72 C73 1.414(6) . ?
C73 C74 1.432(7) . ?
C73 C78 1.467(7) . ?
C74 C75 1.409(7) . ?
C75 C79 1.440(6) . ?
C75 C76 1.456(7) . ?
C76 C77 1.438(6) . ?
C77 C78 1.427(6) . ?
C79 C80 1.452(6) . ?
Ni1P N2P 1.957(2) . ?
Ni1P N4P 1.957(2) . ?
Ni1P N3P 1.961(2) . ?
Ni1P N1P 1.964(2) . ?
N1P C4P 1.376(3) . ?
N1P C1P 1.384(3) . ?
N2P C6P 1.373(3) . ?
N2P C9P 1.377(3) . ?
N3P C14P 1.378(3) . ?
N3P C11P 1.381(3) . ?
N4P C16P 1.375(3) . ?
N4P C19P 1.380(3) . ?
C1P C20P 1.366(4) . ?
C1P C2P 1.451(4) . ?
C2P C3P 1.358(4) . ?
C2P C21P 1.497(3) . ?
C3P C4P 1.449(3) . ?
C3P C23P 1.499(4) . ?
C4P C5P 1.374(3) . ?
C5P C6P 1.379(3) . ?
C6P C7P 1.446(3) . ?
C7P C8P 1.360(4) . ?
C7P C25P 1.495(4) . ?
C8P C9P 1.443(4) . ?
C8P C27P 1.497(3) . ?
C9P C10P 1.378(3) . ?
C10P C11P 1.375(4) . ?
C11P C12P 1.445(3) . ?
C12P C13P 1.361(4) . ?
C12P C29P 1.498(4) . ?
C13P C14P 1.446(4) . ?
C13P C31P 1.500(4) . ?
C14P C15P 1.376(4) . ?
C15P C16P 1.376(4) . ?
C16P C17P 1.453(4) . ?
C17P C18P 1.358(4) . ?
C17P C33P 1.494(4) . ?
C18P C19P 1.440(4) . ?
C18P C35P 1.505(4) . ?
C19P C20P 1.376(4) . ?
C21P C22P 1.530(4) . ?
C23P C24P 1.531(5) . ?
C25P C26P 1.521(5) . ?
C27P C28P 1.532(5) . ?
C29P C30P 1.536(5) . ?
C31P C32P 1.526(7) . ?
C33P C34P 1.508(5) . ?
C35P C36P 1.517(4) . ?
C1S C6S 1.360(6) . ?
C1S C2S 1.394(6) . ?
C2S C3S 1.365(6) . ?
C3S C4S 1.409(7) . ?
C4S C5S 1.381(7) . ?
C5S C6S 1.395(6) . ?
C7S C8S 1.3900 . ?
C7S C12S 1.3900 . ?
C8S C9S 1.3900 . ?
C9S C10S 1.3900 . ?
C10S C11S 1.3900 . ?
C11S C12S 1.3900 . ?

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
Sc4 Sc1 Sc9 130.6(12) . . ?
Sc4 Sc1 Sc13 95.5(11) . . ?
Sc9 Sc1 Sc13 35.1(7) . . ?
Sc4 Sc1 Sc7 80.6(7) . . ?
Sc9 Sc1 Sc7 115.7(6) . . ?
Sc13 Sc1 Sc7 118.3(5) . . ?
Sc4 Sc1 Sc3 63.9(7) . . ?
Sc9 Sc1 Sc3 123.5(4) . . ?
Sc13 Sc1 Sc3 114.6(5) . . ?
Sc7 Sc1 Sc3 17.00(10) . . ?
Sc4 Sc1 Sc11 87.5(7) . . ?
Sc9 Sc1 Sc11 101.6(6) . . ?
Sc13 Sc1 Sc11 105.2(6) . . ?
Sc7 Sc1 Sc11 14.4(3) . . ?
Sc3 Sc1 Sc11 25.4(3) . . ?
Sc4 Sc1 Sc10 94.0(8) . . ?
Sc9 Sc1 Sc10 49.3(4) . . ?
Sc13 Sc1 Sc10 38.6(5) . . ?
Sc7 Sc1 Sc10 79.9(2) . . ?
Sc3 Sc1 Sc10 79.3(2) . . ?
Sc11 Sc1 Sc10 66.6(4) . . ?
Sc4 Sc1 Sc12 63.4(6) . . ?
Sc9 Sc1 Sc12 114.8(4) . . ?
Sc13 Sc1 Sc12 103.8(5) . . ?
Sc7 Sc1 Sc12 22.36(11) . . ?
Sc3 Sc1 Sc12 10.76(10) . . ?
Sc11 Sc1 Sc12 24.2(3) . . ?
Sc10 Sc1 Sc12 68.9(2) . . ?
Sc4 Sc1 Sc6 81.2(8) . . ?
Sc9 Sc1 Sc6 61.0(4) . . ?
Sc13 Sc1 Sc6 43.0(5) . . ?
Sc7 Sc1 Sc6 75.96(17) . . ?
Sc3 Sc1 Sc6 71.84(17) . . ?
Sc11 Sc1 Sc6 64.2(4) . . ?
Sc10 Sc1 Sc6 12.97(19) . . ?
Sc12 Sc1 Sc6 61.11(19) . . ?
Sc4 Sc1 Sc5 78.9(6) . . ?
Sc9 Sc1 Sc5 103.4(5) . . ?
Sc13 Sc1 Sc5 100.9(5) . . ?
Sc7 Sc1 Sc5 17.57(13) . . ?
Sc3 Sc1 Sc5 20.42(12) . . ?
Sc11 Sc1 Sc5 9.9(3) . . ?
Sc10 Sc1 Sc5 62.8(2) . . ?
Sc12 Sc1 Sc5 15.65(13) . . ?
Sc6 Sc1 Sc5 58.39(18) . . ?
Sc4 Sc1 Sc8 98.0(7) . . ?
Sc9 Sc1 Sc8 54.5(3) . . ?
Sc13 Sc1 Sc8 50.8(5) . . ?
Sc7 Sc1 Sc8 68.68(16) . . ?
Sc3 Sc1 Sc8 70.51(14) . . ?
Sc11 Sc1 Sc8 54.8(3) . . ?
Sc10 Sc1 Sc8 12.93(16) . . ?
Sc12 Sc1 Sc8 60.83(17) . . ?
Sc6 Sc1 Sc8 19.74(15) . . ?
Sc5 Sc1 Sc8 52.32(15) . . ?
Sc6 Sc2 Sc8 75.3(7) . . ?
Sc6 Sc2 Sc10 36.2(6) . . ?
Sc8 Sc2 Sc10 39.2(5) . . ?
Sc6 Sc2 Sc5 122.4(4) . . ?
Sc8 Sc2 Sc5 92.4(3) . . ?
Sc10 Sc2 Sc5 111.3(4) . . ?
Sc6 Sc2 Sc12 112.4(4) . . ?
Sc8 Sc2 Sc12 105.1(2) . . ?
Sc10 Sc2 Sc12 113.3(4) . . ?
Sc5 Sc2 Sc12 18.14(14) . . ?
Sc6 Sc2 Sc11 117.1(5) . . ?
Sc8 Sc2 Sc11 81.7(4) . . ?
Sc10 Sc2 Sc11 101.4(5) . . ?
Sc5 Sc2 Sc11 10.9(2) . . ?
Sc12 Sc2 Sc11 25.8(3) . . ?
Sc6 Sc2 Sc13 46.2(4) . . ?
Sc8 Sc2 Sc13 65.0(3) . . ?
Sc10 Sc2 Sc13 44.1(4) . . ?
Sc5 Sc2 Sc13 77.3(2) . . ?
Sc12 Sc2 Sc13 72.2(2) . . ?
Sc11 Sc2 Sc13 71.0(4) . . ?
Sc6 Sc2 Sc3 104.3(4) . . ?
Sc8 Sc2 Sc3 97.6(2) . . ?
Sc10 Sc2 Sc3 103.3(4) . . ?
Sc5 Sc2 Sc3 20.60(12) . . ?
Sc12 Sc2 Sc3 10.03(9) . . ?
Sc11 Sc2 Sc3 24.0(3) . . ?
Sc13 Sc2 Sc3 62.5(2) . . ?
Sc6 Sc2 Sc7 106.0(4) . . ?
Sc8 Sc2 Sc7 84.9(2) . . ?
Sc10 Sc2 Sc7 96.5(4) . . ?
Sc5 Sc2 Sc7 16.63(12) . . ?
Sc12 Sc2 Sc7 20.24(10) . . ?
Sc11 Sc2 Sc7 13.2(3) . . ?
Sc13 Sc2 Sc7 60.7(2) . . ?
Sc3 Sc2 Sc7 13.72(8) . . ?
Sc6 Sc2 Sc9 55.6(4) . . ?
Sc8 Sc2 Sc9 61.6(3) . . ?
Sc10 Sc2 Sc9 48.0(4) . . ?
Sc5 Sc2 Sc9 68.89(13) . . ?
Sc12 Sc2 Sc9 65.91(13) . . ?
Sc11 Sc2 Sc9 61.8(3) . . ?
Sc13 Sc2 Sc9 9.9(2) . . ?
Sc3 Sc2 Sc9 55.94(9) . . ?
Sc7 Sc2 Sc9 52.33(9) . . ?
Sc12 Sc3 Sc7 110.1(6) . . ?
Sc12 Sc3 Sc5 46.9(5) . . ?
Sc7 Sc3 Sc5 63.3(5) . . ?
Sc12 Sc3 Sc11 73.0(9) . . ?
Sc7 Sc3 Sc11 37.2(8) . . ?
Sc5 Sc3 Sc11 26.2(7) . . ?
Sc12 Sc3 Sc4 117.7(4) . . ?
Sc7 Sc3 Sc4 88.8(4) . . ?
Sc5 Sc3 Sc4 115.8(3) . . ?
Sc11 Sc3 Sc4 104.4(6) . . ?
Sc12 Sc3 Sc1 119.6(4) . . ?
Sc7 Sc3 Sc1 76.2(3) . . ?
Sc5 Sc3 Sc1 107.1(3) . . ?
Sc11 Sc3 Sc1 92.7(6) . . ?
Sc4 Sc3 Sc1 12.81(14) . . ?
Sc12 Sc3 Sc9 111.9(4) . . ?
Sc7 Sc3 Sc9 72.7(3) . . ?
Sc5 Sc3 Sc9 97.6(3) . . ?
Sc11 Sc3 Sc9 84.7(6) . . ?
Sc4 Sc3 Sc9 19.74(17) . . ?
Sc1 Sc3 Sc9 9.62(12) . . ?
Sc12 Sc3 Sc2 48.0(4) . . ?
Sc7 Sc3 Sc2 91.2(3) . . ?
Sc5 Sc3 Sc2 52.2(3) . . ?
Sc11 Sc3 Sc2 64.4(7) . . ?
Sc4 Sc3 Sc2 74.00(17) . . ?
Sc1 Sc3 Sc2 72.51(12) . . ?
Sc9 Sc3 Sc2 64.10(9) . . ?
Sc12 Sc3 Sc13 103.0(4) . . ?
Sc7 Sc3 Sc13 81.4(3) . . ?
Sc5 Sc3 Sc13 96.2(3) . . ?
Sc11 Sc3 Sc13 87.8(6) . . ?
Sc4 Sc3 Sc13 19.7(2) . . ?
Sc1 Sc3 Sc13 16.5(2) . . ?
Sc9 Sc3 Sc13 10.9(2) . . ?
Sc2 Sc3 Sc13 56.3(2) . . ?
Sc1 Sc4 Sc9 24.8(6) . . ?
Sc1 Sc4 Sc13 54.9(10) . . ?
Sc9 Sc4 Sc13 30.2(6) . . ?
Sc1 Sc4 Sc3 103.3(7) . . ?
Sc9 Sc4 Sc3 111.6(3) . . ?
Sc13 Sc4 Sc3 117.7(5) . . ?
Sc1 Sc4 Sc7 85.9(7) . . ?
Sc9 Sc4 Sc7 96.7(4) . . ?
Sc13 Sc4 Sc7 109.8(5) . . ?
Sc3 Sc4 Sc7 17.72(11) . . ?
Sc1 Sc4 Sc12 105.5(7) . . ?
Sc9 Sc4 Sc12 108.6(3) . . ?
Sc13 Sc4 Sc12 109.1(5) . . ?
Sc3 Sc4 Sc12 11.82(11) . . ?
Sc7 Sc4 Sc12 24.66(13) . . ?
Sc1 Sc4 Sc11 81.1(7) . . ?
Sc9 Sc4 Sc11 87.3(4) . . ?
Sc13 Sc4 Sc11 96.9(5) . . ?
Sc3 Sc4 Sc11 24.3(3) . . ?
Sc7 Sc4 Sc11 13.6(3) . . ?
Sc12 Sc4 Sc11 24.5(3) . . ?
Sc1 Sc4 Sc10 74.8(8) . . ?
Sc9 Sc4 Sc10 55.8(4) . . ?
Sc13 Sc4 Sc10 39.9(5) . . ?
Sc3 Sc4 Sc10 80.4(2) . . ?
Sc7 Sc4 Sc10 78.4(2) . . ?
Sc12 Sc4 Sc10 70.3(2) . . ?
Sc11 Sc4 Sc10 64.9(4) . . ?
Sc1 Sc4 Sc6 87.8(8) . . ?
Sc9 Sc4 Sc6 68.9(3) . . ?
Sc13 Sc4 Sc6 50.1(5) . . ?
Sc3 Sc4 Sc6 75.0(2) . . ?
Sc7 Sc4 Sc6 77.0(2) . . ?
Sc12 Sc4 Sc6 63.8(2) . . ?
Sc11 Sc4 Sc6 64.3(4) . . ?
Sc10 Sc4 Sc6 13.16(18) . . ?
Sc1 Sc4 Sc5 90.2(6) . . ?
Sc9 Sc4 Sc5 93.6(3) . . ?
Sc13 Sc4 Sc5 98.3(4) . . ?
Sc3 Sc4 Sc5 19.57(12) . . ?
Sc7 Sc4 Sc5 18.29(14) . . ?
Sc12 Sc4 Sc5 15.49(13) . . ?
Sc11 Sc4 Sc5 10.4(3) . . ?
Sc10 Sc4 Sc5 62.5(2) . . ?
Sc6 Sc4 Sc5 59.37(19) . . ?
Sc11 Sc5 Sc12 122(2) . . ?
Sc11 Sc5 Sc7 48.7(18) . . ?
Sc12 Sc5 Sc7 73.7(6) . . ?
Sc11 Sc5 Sc3 89(2) . . ?
Sc12 Sc5 Sc3 33.3(4) . . ?
Sc7 Sc5 Sc3 40.3(3) . . ?
Sc11 Sc5 Sc2 109.1(16) . . ?
Sc12 Sc5 Sc2 91.1(5) . . ?
Sc7 Sc5 Sc2 119.0(3) . . ?
Sc3 Sc5 Sc2 107.2(3) . . ?
Sc11 Sc5 Sc8 88.7(16) . . ?
Sc12 Sc5 Sc8 105.6(4) . . ?
Sc7 Sc5 Sc8 108.3(3) . . ?
Sc3 Sc5 Sc8 111.5(3) . . ?
Sc2 Sc5 Sc8 20.71(10) . . ?
Sc11 Sc5 Sc6 103.4(14) . . ?
Sc12 Sc5 Sc6 85.2(5) . . ?
Sc7 Sc5 Sc6 107.0(3) . . ?
Sc3 Sc5 Sc6 96.7(3) . . ?
Sc2 Sc5 Sc6 12.19(12) . . ?
Sc8 Sc5 Sc6 20.82(16) . . ?
Sc11 Sc5 Sc4 74.8(15) . . ?
Sc12 Sc5 Sc4 60.2(4) . . ?
Sc7 Sc5 Sc4 48.3(3) . . ?
Sc3 Sc5 Sc4 44.7(2) . . ?
Sc2 Sc5 Sc4 72.47(16) . . ?
Sc8 Sc5 Sc4 68.99(19) . . ?
Sc6 Sc5 Sc4 60.29(19) . . ?
Sc11 Sc5 Sc1 65.3(15) . . ?
Sc12 Sc5 Sc1 71.0(4) . . ?
Sc7 Sc5 Sc1 46.6(2) . . ?
Sc3 Sc5 Sc1 52.5(3) . . ?
Sc2 Sc5 Sc1 72.41(12) . . ?
Sc8 Sc5 Sc1 64.98(17) . . ?
Sc6 Sc5 Sc1 60.37(16) . . ?
Sc4 Sc5 Sc1 10.90(12) . . ?
Sc11 Sc5 Sc10 91.0(15) . . ?
Sc12 Sc5 Sc10 94.4(4) . . ?
Sc7 Sc5 Sc10 101.2(3) . . ?
Sc3 Sc5 Sc10 99.7(3) . . ?
Sc2 Sc5 Sc10 19.77(19) . . ?
Sc8 Sc5 Sc10 12.05(17) . . ?
Sc6 Sc5 Sc10 12.73(17) . . ?
Sc4 Sc5 Sc10 58.4(2) . . ?
Sc1 Sc5 Sc10 55.7(2) . . ?
Sc10 Sc6 Sc2 104.0(13) . . ?
Sc10 Sc6 Sc8 42.1(9) . . ?
Sc2 Sc6 Sc8 61.9(6) . . ?
Sc10 Sc6 Sc13 64.2(10) . . ?
Sc2 Sc6 Sc13 121.1(5) . . ?
Sc8 Sc6 Sc13 88.6(5) . . ?
Sc10 Sc6 Sc9 61.1(9) . . ?
Sc2 Sc6 Sc9 111.7(4) . . ?
Sc8 Sc6 Sc9 80.4(4) . . ?
Sc13 Sc6 Sc9 10.0(2) . . ?
Sc10 Sc6 Sc5 94.3(9) . . ?
Sc2 Sc6 Sc5 45.5(3) . . ?
Sc8 Sc6 Sc5 66.3(4) . . ?
Sc13 Sc6 Sc5 76.7(3) . . ?
Sc9 Sc6 Sc5 68.33(16) . . ?
Sc10 Sc6 Sc4 81.4(9) . . ?
Sc2 Sc6 Sc4 105.7(4) . . ?
Sc8 Sc6 Sc4 94.0(4) . . ?
Sc13 Sc6 Sc4 21.7(2) . . ?
Sc9 Sc6 Sc4 20.56(15) . . ?
Sc5 Sc6 Sc4 60.34(18) . . ?
Sc10 Sc6 Sc12 105.5(8) . . ?
Sc2 Sc6 Sc12 54.5(4) . . ?
Sc8 Sc6 Sc12 81.8(4) . . ?
Sc13 Sc6 Sc12 72.8(3) . . ?
Sc9 Sc6 Sc12 66.30(16) . . ?
Sc5 Sc6 Sc12 15.85(13) . . ?
Sc4 Sc6 Sc12 53.1(2) . . ?
Sc10 Sc6 Sc1 70.5(9) . . ?
Sc2 Sc6 Sc1 106.2(4) . . ?
Sc8 Sc6 Sc1 84.7(4) . . ?
Sc13 Sc6 Sc1 15.7(2) . . ?
Sc9 Sc6 Sc1 10.47(10) . . ?
Sc5 Sc6 Sc1 61.24(14) . . ?
Sc4 Sc6 Sc1 10.99(12) . . ?
Sc12 Sc6 Sc1 57.22(16) . . ?
Sc10 Sc6 Sc11 84.9(9) . . ?
Sc2 Sc6 Sc11 50.8(5) . . ?
Sc8 Sc6 Sc11 59.8(4) . . ?
Sc13 Sc6 Sc11 70.3(4) . . ?
Sc9 Sc6 Sc11 61.3(3) . . ?
Sc5 Sc6 Sc11 9.7(2) . . ?
Sc4 Sc6 Sc11 56.4(3) . . ?
Sc12 Sc6 Sc11 22.5(3) . . ?
Sc1 Sc6 Sc11 55.4(3) . . ?
Sc3 Sc7 Sc11 107.8(12) . . ?
Sc3 Sc7 Sc5 76.4(5) . . ?
Sc11 Sc7 Sc5 31.6(10) . . ?
Sc3 Sc7 Sc12 31.4(3) . . ?
Sc11 Sc7 Sc12 76.4(12) . . ?
Sc5 Sc7 Sc12 45.0(4) . . ?
Sc3 Sc7 Sc4 73.5(4) . . ?
Sc11 Sc7 Sc4 119.3(9) . . ?
Sc5 Sc7 Sc4 113.4(3) . . ?
Sc12 Sc7 Sc4 90.0(3) . . ?
Sc3 Sc7 Sc1 86.8(4) . . ?
Sc11 Sc7 Sc1 113.6(9) . . ?
Sc5 Sc7 Sc1 115.8(3) . . ?
Sc12 Sc7 Sc1 100.8(3) . . ?
Sc4 Sc7 Sc1 13.51(15) . . ?
Sc3 Sc7 Sc9 92.5(3) . . ?
Sc11 Sc7 Sc9 103.0(9) . . ?
Sc5 Sc7 Sc9 108.3(3) . . ?
Sc12 Sc7 Sc9 101.2(2) . . ?
Sc4 Sc7 Sc9 22.18(18) . . ?
Sc1 Sc7 Sc9 10.89(14) . . ?
Sc3 Sc7 Sc13 84.7(3) . . ?
Sc11 Sc7 Sc13 99.0(9) . . ?
Sc5 Sc7 Sc13 99.9(3) . . ?
Sc12 Sc7 Sc13 91.0(3) . . ?
Sc4 Sc7 Sc13 21.2(2) . . ?
Sc1 Sc7 Sc13 16.1(2) . . ?
Sc9 Sc7 Sc13 10.31(19) . . ?
Sc3 Sc7 Sc2 75.1(3) . . ?
Sc11 Sc7 Sc2 52.9(9) . . ?
Sc5 Sc7 Sc2 44.4(2) . . ?
Sc12 Sc7 Sc2 55.0(3) . . ?
Sc4 Sc7 Sc2 70.80(16) . . ?
Sc1 Sc7 Sc2 71.47(11) . . ?
Sc9 Sc7 Sc2 64.10(10) . . ?
Sc13 Sc7 Sc2 55.5(2) . . ?
Sc3 Sc7 Sc8 91.4(3) . . ?
Sc11 Sc7 Sc8 50.5(8) . . ?
Sc5 Sc7 Sc8 54.0(3) . . ?
Sc12 Sc7 Sc8 72.4(3) . . ?
Sc4 Sc7 Sc8 68.89(19) . . ?
Sc1 Sc7 Sc8 65.32(17) . . ?
Sc9 Sc7 Sc8 55.86(13) . . ?
Sc13 Sc7 Sc8 49.6(2) . . ?
Sc2 Sc7 Sc8 17.48(9) . . ?
Sc10 Sc8 Sc2 82.7(9) . . ?
Sc10 Sc8 Sc6 39.9(8) . . ?
Sc2 Sc8 Sc6 42.8(4) . . ?
Sc10 Sc8 Sc13 48.5(7) . . ?
Sc2 Sc8 Sc13 95.5(4) . . ?
Sc6 Sc8 Sc13 67.6(5) . . ?
Sc10 Sc8 Sc5 115.4(7) . . ?
Sc2 Sc8 Sc5 66.9(3) . . ?
Sc6 Sc8 Sc5 92.9(4) . . ?
Sc13 Sc8 Sc5 78.3(2) . . ?
Sc10 Sc8 Sc11 117.0(7) . . ?
Sc2 Sc8 Sc11 78.1(4) . . ?
Sc6 Sc8 Sc11 100.9(5) . . ?
Sc13 Sc8 Sc11 74.4(4) . . ?
Sc5 Sc8 Sc11 11.4(3) . . ?
Sc10 Sc8 Sc9 59.9(7) . . ?
Sc2 Sc8 Sc9 100.9(3) . . ?
Sc6 Sc8 Sc9 77.9(4) . . ?
Sc13 Sc8 Sc9 11.7(2) . . ?
Sc5 Sc8 Sc9 71.57(14) . . ?
Sc11 Sc8 Sc9 66.0(3) . . ?
Sc10 Sc8 Sc12 101.2(7) . . ?
Sc2 Sc8 Sc12 57.2(2) . . ?
Sc6 Sc8 Sc12 78.1(4) . . ?
Sc13 Sc8 Sc12 69.8(2) . . ?
Sc5 Sc8 Sc12 15.13(13) . . ?
Sc11 Sc8 Sc12 23.3(3) . . ?
Sc9 Sc8 Sc12 65.55(14) . . ?
Sc10 Sc8 Sc1 64.0(6) . . ?
Sc2 Sc8 Sc1 93.3(3) . . ?
Sc6 Sc8 Sc1 75.6(4) . . ?
Sc13 Sc8 Sc1 16.5(2) . . ?
Sc5 Sc8 Sc1 62.71(14) . . ?
Sc11 Sc8 Sc1 58.1(3) . . ?
Sc9 Sc8 Sc1 9.65(8) . . ?
Sc12 Sc8 Sc1 55.99(16) . . ?
Sc10 Sc8 Sc7 104.6(6) . . ?
Sc2 Sc8 Sc7 77.6(3) . . ?
Sc6 Sc8 Sc7 92.7(4) . . ?
Sc13 Sc8 Sc7 62.2(2) . . ?
Sc5 Sc8 Sc7 17.74(12) . . ?
Sc11 Sc8 Sc7 12.6(3) . . ?
Sc9 Sc8 Sc7 54.40(11) . . ?
Sc12 Sc8 Sc7 20.51(11) . . ?
Sc1 Sc8 Sc7 46.01(10) . . ?
Sc1 Sc9 Sc13 110.3(13) . . ?
Sc1 Sc9 Sc4 24.6(7) . . ?
Sc13 Sc9 Sc4 85.7(10) . . ?
Sc1 Sc9 Sc10 120.6(5) . . ?
Sc13 Sc9 Sc10 50.5(8) . . ?
Sc4 Sc9 Sc10 104.1(4) . . ?
Sc1 Sc9 Sc7 53.4(5) . . ?
Sc13 Sc9 Sc7 112.3(8) . . ?
Sc4 Sc9 Sc7 61.1(3) . . ?
Sc10 Sc9 Sc7 80.9(2) . . ?
Sc1 Sc9 Sc6 108.5(5) . . ?
Sc13 Sc9 Sc6 45.4(7) . . ?
Sc4 Sc9 Sc6 90.6(4) . . ?
Sc10 Sc9 Sc6 13.7(2) . . ?
Sc7 Sc9 Sc6 75.64(16) . . ?
Sc1 Sc9 Sc8 115.9(4) . . ?
Sc13 Sc9 Sc8 64.2(8) . . ?
Sc4 Sc9 Sc8 104.6(3) . . ?
Sc10 Sc9 Sc8 14.13(18) . . ?
Sc7 Sc9 Sc8 69.74(13) . . ?
Sc6 Sc9 Sc8 21.70(17) . . ?
Sc1 Sc9 Sc3 46.9(3) . . ?
Sc13 Sc9 Sc3 100.8(8) . . ?
Sc4 Sc9 Sc3 48.7(3) . . ?
Sc10 Sc9 Sc3 78.9(2) . . ?
Sc7 Sc9 Sc3 14.84(9) . . ?
Sc6 Sc9 Sc3 70.59(16) . . ?
Sc8 Sc9 Sc3 70.44(12) . . ?
Sc1 Sc9 Sc11 67.6(5) . . ?
Sc13 Sc9 Sc11 106.3(8) . . ?
Sc4 Sc9 Sc11 72.5(4) . . ?
Sc10 Sc9 Sc11 68.2(4) . . ?
Sc7 Sc9 Sc11 14.5(3) . . ?
Sc6 Sc9 Sc11 64.9(3) . . ?
Sc8 Sc9 Sc11 56.1(3) . . ?
Sc3 Sc9 Sc11 23.8(3) . . ?
Sc1 Sc9 Sc2 101.8(4) . . ?
Sc13 Sc9 Sc2 57.5(7) . . ?
Sc4 Sc9 Sc2 87.7(3) . . ?
Sc10 Sc9 Sc2 19.2(2) . . ?
Sc7 Sc9 Sc2 63.57(8) . . ?
Sc6 Sc9 Sc2 12.65(13) . . ?
Sc8 Sc9 Sc2 17.49(9) . . ?
Sc3 Sc9 Sc2 59.96(8) . . ?
Sc11 Sc9 Sc2 52.4(3) . . ?
Sc1 Sc9 Sc12 55.7(3) . . ?
Sc13 Sc9 Sc12 92.4(8) . . ?
Sc4 Sc9 Sc12 53.1(3) . . ?
Sc10 Sc9 Sc12 68.6(2) . . ?
Sc7 Sc9 Sc12 20.22(10) . . ?
Sc6 Sc9 Sc12 60.16(18) . . ?
Sc8 Sc9 Sc12 60.72(16) . . ?
Sc3 Sc9 Sc12 10.44(9) . . ?
Sc11 Sc9 Sc12 22.2(3) . . ?
Sc2 Sc9 Sc12 49.56(12) . . ?
Sc6 Sc10 Sc8 98.0(14) . . ?
Sc6 Sc10 Sc2 39.8(8) . . ?
Sc8 Sc10 Sc2 58.2(8) . . ?
Sc6 Sc10 Sc13 99.6(11) . . ?
Sc8 Sc10 Sc13 117.5(8) . . ?
Sc2 Sc10 Sc13 115.2(6) . . ?
Sc6 Sc10 Sc9 105.3(10) . . ?
Sc8 Sc10 Sc9 106.0(7) . . ?
Sc2 Sc10 Sc9 112.8(5) . . ?
Sc13 Sc10 Sc9 11.8(3) . . ?
Sc6 Sc10 Sc1 96.5(9) . . ?
Sc8 Sc10 Sc1 103.0(7) . . ?
Sc2 Sc10 Sc1 103.0(4) . . ?
Sc13 Sc10 Sc1 15.7(3) . . ?
Sc9 Sc10 Sc1 10.00(10) . . ?
Sc6 Sc10 Sc4 85.4(9) . . ?
Sc8 Sc10 Sc4 106.3(7) . . ?
Sc2 Sc10 Sc4 95.5(5) . . ?
Sc13 Sc10 Sc4 19.8(3) . . ?
Sc9 Sc10 Sc4 20.09(16) . . ?
Sc1 Sc10 Sc4 11.18(12) . . ?
Sc6 Sc10 Sc5 73.0(9) . . ?
Sc8 Sc10 Sc5 52.6(6) . . ?
Sc2 Sc10 Sc5 48.9(3) . . ?
Sc13 Sc10 Sc5 76.9(3) . . ?
Sc9 Sc10 Sc5 69.4(2) . . ?
Sc1 Sc10 Sc5 61.42(17) . . ?
Sc4 Sc10 Sc5 59.2(2) . . ?
Sc6 Sc10 Sc11 82.6(9) . . ?
Sc8 Sc10 Sc11 51.3(6) . . ?
Sc2 Sc10 Sc11 58.1(4) . . ?
Sc13 Sc10 Sc11 72.4(4) . . ?
Sc9 Sc10 Sc11 63.5(3) . . ?
Sc1 Sc10 Sc11 56.6(3) . . ?
Sc4 Sc10 Sc11 56.5(3) . . ?
Sc5 Sc10 Sc11 9.9(2) . . ?
Sc5 Sc11 Sc7 100(2) . . ?
Sc5 Sc11 Sc12 35.5(14) . . ?
Sc7 Sc11 Sc12 64.5(10) . . ?
Sc5 Sc11 Sc3 64.9(16) . . ?
Sc7 Sc11 Sc3 35.1(7) . . ?
Sc12 Sc11 Sc3 29.5(4) . . ?
Sc5 Sc11 Sc2 60.0(15) . . ?
Sc7 Sc11 Sc2 114.0(10) . . ?
Sc12 Sc11 Sc2 73.4(7) . . ?
Sc3 Sc11 Sc2 91.6(7) . . ?
Sc5 Sc11 Sc8 79.9(16) . . ?
Sc7 Sc11 Sc8 116.9(10) . . ?
Sc12 Sc11 Sc8 91.7(7) . . ?
Sc3 Sc11 Sc8 104.6(6) . . ?
Sc2 Sc11 Sc8 20.18(14) . . ?
Sc5 Sc11 Sc1 104.8(15) . . ?
Sc7 Sc11 Sc1 51.9(8) . . ?
Sc12 Sc11 Sc1 79.0(7) . . ?
Sc3 Sc11 Sc1 62.0(6) . . ?
Sc2 Sc11 Sc1 72.5(3) . . ?
Sc8 Sc11 Sc1 67.1(3) . . ?
Sc5 Sc11 Sc4 94.8(16) . . ?
Sc7 Sc11 Sc4 47.2(7) . . ?
Sc12 Sc11 Sc4 67.6(6) . . ?
Sc3 Sc11 Sc4 51.3(5) . . ?
Sc2 Sc11 Sc4 71.0(3) . . ?
Sc8 Sc11 Sc4 69.9(3) . . ?
Sc1 Sc11 Sc4 11.47(14) . . ?
Sc5 Sc11 Sc9 106.7(14) . . ?
Sc7 Sc11 Sc9 62.5(8) . . ?
Sc12 Sc11 Sc9 85.4(6) . . ?
Sc3 Sc11 Sc9 71.5(6) . . ?
Sc2 Sc11 Sc9 65.8(2) . . ?
Sc8 Sc11 Sc9 57.8(2) . . ?
Sc1 Sc11 Sc9 10.78(12) . . ?
Sc4 Sc11 Sc9 20.22(18) . . ?
Sc5 Sc11 Sc6 66.9(14) . . ?
Sc7 Sc11 Sc6 103.8(9) . . ?
Sc12 Sc11 Sc6 72.9(6) . . ?
Sc3 Sc11 Sc6 85.9(6) . . ?
Sc2 Sc11 Sc6 12.14(13) . . ?
Sc8 Sc11 Sc6 19.29(17) . . ?
Sc1 Sc11 Sc6 60.3(3) . . ?
Sc4 Sc11 Sc6 59.3(3) . . ?
Sc9 Sc11 Sc6 53.7(2) . . ?
Sc5 Sc11 Sc10 79.0(15) . . ?
Sc7 Sc11 Sc10 105.5(9) . . ?
Sc12 Sc11 Sc10 84.4(7) . . ?
Sc3 Sc11 Sc10 93.9(6) . . ?
Sc2 Sc11 Sc10 20.5(2) . . ?
Sc8 Sc11 Sc10 11.66(17) . . ?
Sc1 Sc11 Sc10 56.8(3) . . ?
Sc4 Sc11 Sc10 58.6(3) . . ?
Sc9 Sc11 Sc10 48.3(2) . . ?
Sc6 Sc11 Sc10 12.48(17) . . ?
Sc3 Sc12 Sc5 99.8(7) . . ?
Sc3 Sc12 Sc7 38.5(4) . . ?
Sc5 Sc12 Sc7 61.3(5) . . ?
Sc3 Sc12 Sc11 77.5(9) . . ?
Sc5 Sc12 Sc11 22.5(9) . . ?
Sc7 Sc12 Sc11 39.0(8) . . ?
Sc3 Sc12 Sc2 121.9(4) . . ?
Sc5 Sc12 Sc2 70.8(5) . . ?
Sc7 Sc12 Sc2 104.8(3) . . ?
Sc11 Sc12 Sc2 80.8(7) . . ?
Sc3 Sc12 Sc4 50.5(4) . . ?
Sc5 Sc12 Sc4 104.3(4) . . ?
Sc7 Sc12 Sc4 65.3(3) . . ?
Sc11 Sc12 Sc4 87.9(7) . . ?
Sc2 Sc12 Sc4 75.73(17) . . ?
Sc3 Sc12 Sc1 49.6(3) . . ?
Sc5 Sc12 Sc1 93.3(4) . . ?
Sc7 Sc12 Sc1 56.8(3) . . ?
Sc11 Sc12 Sc1 76.8(7) . . ?
Sc2 Sc12 Sc1 73.23(13) . . ?
Sc4 Sc12 Sc1 11.09(13) . . ?
Sc3 Sc12 Sc6 111.2(4) . . ?
Sc5 Sc12 Sc6 79.0(5) . . ?
Sc7 Sc12 Sc6 101.1(3) . . ?
Sc11 Sc12 Sc6 84.6(7) . . ?
Sc2 Sc12 Sc6 13.15(12) . . ?
Sc4 Sc12 Sc6 63.1(2) . . ?
Sc1 Sc12 Sc6 61.67(16) . . ?
Sc3 Sc12 Sc8 108.3(4) . . ?
Sc5 Sc12 Sc8 59.3(4) . . ?
Sc7 Sc12 Sc8 87.1(3) . . ?
Sc11 Sc12 Sc8 65.0(7) . . ?
Sc2 Sc12 Sc8 17.76(8) . . ?
Sc4 Sc12 Sc8 68.64(19) . . ?
Sc1 Sc12 Sc8 63.18(17) . . ?
Sc6 Sc12 Sc8 20.06(16) . . ?
Sc3 Sc12 Sc9 57.7(3) . . ?
Sc5 Sc12 Sc9 86.6(4) . . ?
Sc7 Sc12 Sc9 58.6(2) . . ?
Sc11 Sc12 Sc9 72.3(6) . . ?
Sc2 Sc12 Sc9 64.53(10) . . ?
Sc4 Sc12 Sc9 18.27(15) . . ?
Sc1 Sc12 Sc9 9.54(10) . . ?
Sc6 Sc12 Sc9 53.55(15) . . ?
Sc8 Sc12 Sc9 53.73(12) . . ?
Sc9 Sc13 Sc1 34.6(8) . . ?
Sc9 Sc13 Sc4 64.1(10) . . ?
Sc1 Sc13 Sc4 29.5(4) . . ?
Sc9 Sc13 Sc10 117.7(10) . . ?
Sc1 Sc13 Sc10 125.7(6) . . ?
Sc4 Sc13 Sc10 120.3(6) . . ?
Sc9 Sc13 Sc6 124.6(8) . . ?
Sc1 Sc13 Sc6 121.3(6) . . ?
Sc4 Sc13 Sc6 108.2(6) . . ?
Sc10 Sc13 Sc6 16.2(3) . . ?
Sc9 Sc13 Sc8 104.1(8) . . ?
Sc1 Sc13 Sc8 112.8(6) . . ?
Sc4 Sc13 Sc8 112.5(5) . . ?
Sc10 Sc13 Sc8 14.0(2) . . ?
Sc6 Sc13 Sc8 23.8(2) . . ?
Sc9 Sc13 Sc2 112.6(8) . . ?
Sc1 Sc13 Sc2 109.2(5) . . ?
Sc4 Sc13 Sc2 99.6(5) . . ?
Sc10 Sc13 Sc2 20.7(3) . . ?
Sc6 Sc13 Sc2 12.78(15) . . ?
Sc8 Sc13 Sc2 19.50(12) . . ?
Sc9 Sc13 Sc7 57.4(7) . . ?
Sc1 Sc13 Sc7 45.6(4) . . ?
Sc4 Sc13 Sc7 49.0(4) . . ?
Sc10 Sc13 Sc7 80.3(3) . . ?
Sc6 Sc13 Sc7 76.4(2) . . ?
Sc8 Sc13 Sc7 68.3(2) . . ?
Sc2 Sc13 Sc7 63.89(16) . . ?
Sc9 Sc13 Sc3 68.4(8) . . ?
Sc1 Sc13 Sc3 48.9(4) . . ?
Sc4 Sc13 Sc3 42.6(4) . . ?
Sc10 Sc13 Sc3 80.4(3) . . ?
Sc6 Sc13 Sc3 72.7(2) . . ?
Sc8 Sc13 Sc3 70.5(2) . . ?
Sc2 Sc13 Sc3 61.24(16) . . ?
Sc7 Sc13 Sc3 13.98(9) . . ?
C45 C1 C5 124.2(4) . . ?
C45 C1 C2 122.7(4) . . ?
C5 C1 C2 104.4(4) . . ?
C3 C2 C42 122.6(4) . . ?
C3 C2 C1 109.9(4) . . ?
C42 C2 C1 118.9(4) . . ?
C2 C3 C80 122.5(4) . . ?
C2 C3 C4 109.4(4) . . ?
C80 C3 C4 118.7(4) . . ?
C9 C4 C5 122.6(4) . . ?
C9 C4 C3 121.6(4) . . ?
C5 C4 C3 105.5(4) . . ?
C6 C5 C4 121.5(5) . . ?
C6 C5 C1 120.6(5) . . ?
C4 C5 C1 110.7(4) . . ?
C7 C6 C5 114.7(4) . . ?
C7 C6 C67 120.6(4) . . ?
C5 C6 C67 115.7(4) . . ?
C8 C7 C6 124.3(4) . . ?
C8 C7 C66 107.5(4) . . ?
C6 C7 C66 119.0(4) . . ?
C13 C8 C7 109.4(4) . . ?
C13 C8 C9 122.0(4) . . ?
C7 C8 C9 119.2(4) . . ?
C4 C9 C10 118.7(4) . . ?
C4 C9 C8 117.3(4) . . ?
C10 C9 C8 116.5(4) . . ?
C9 C10 C11 120.9(4) . . ?
C9 C10 C68 120.8(5) . . ?
C11 C10 C68 108.5(4) . . ?
C12 C11 C70 120.8(4) . . ?
C12 C11 C10 122.4(4) . . ?
C70 C11 C10 107.6(4) . . ?
C11 C12 C17 119.9(4) . . ?
C11 C12 C13 117.6(4) . . ?
C17 C12 C13 115.4(4) . . ?
C8 C13 C12 120.4(4) . . ?
C8 C13 C14 108.4(4) . . ?
C12 C13 C14 122.1(4) . . ?
C15 C14 C66 120.4(4) . . ?
C15 C14 C13 121.4(4) . . ?
C66 C14 C13 108.2(4) . . ?
C59 C15 C14 118.0(4) . . ?
C59 C15 C16 117.9(4) . . ?
C14 C15 C16 117.0(4) . . ?
C17 C16 C20 109.7(4) . . ?
C17 C16 C15 119.8(4) . . ?
C20 C16 C15 119.5(4) . . ?
C12 C17 C18 119.6(4) . . ?
C12 C17 C16 123.9(4) . . ?
C18 C17 C16 107.5(4) . . ?
C17 C18 C19 109.2(4) . . ?
C17 C18 C71 120.3(4) . . ?
C19 C18 C71 121.7(4) . . ?
C18 C19 C24 123.6(4) . . ?
C18 C19 C20 108.2(4) . . ?
C24 C19 C20 119.0(4) . . ?
C21 C20 C16 122.6(4) . . ?
C21 C20 C19 122.2(4) . . ?
C16 C20 C19 105.3(4) . . ?
C20 C21 C58 117.2(4) . . ?
C20 C21 C22 118.1(4) . . ?
C58 C21 C22 116.5(5) . . ?
C55 C22 C21 119.4(4) . . ?
C55 C22 C23 109.3(4) . . ?
C21 C22 C23 119.9(4) . . ?
C24 C23 C28 122.0(4) . . ?
C24 C23 C22 120.8(4) . . ?
C28 C23 C22 105.0(4) . . ?
C23 C24 C25 118.1(5) . . ?
C23 C24 C19 119.7(4) . . ?
C25 C24 C19 113.5(4) . . ?
C24 C25 C72 124.2(4) . . ?
C24 C25 C26 119.2(4) . . ?
C72 C25 C26 109.0(4) . . ?
C27 C26 C78 120.2(4) . . ?
C27 C26 C25 123.9(4) . . ?
C78 C26 C25 106.4(4) . . ?
C26 C27 C32 120.4(4) . . ?
C26 C27 C28 114.9(5) . . ?
C32 C27 C28 117.2(5) . . ?
C29 C28 C23 111.0(4) . . ?
C29 C28 C27 117.5(5) . . ?
C23 C28 C27 121.4(5) . . ?
C30 C29 C28 125.1(4) . . ?
C30 C29 C55 121.4(5) . . ?
C28 C29 C55 105.9(4) . . ?
C54 C30 C29 119.0(5) . . ?
C54 C30 C31 117.0(5) . . ?
C29 C30 C31 116.5(5) . . ?
C32 C31 C35 109.0(4) . . ?
C32 C31 C30 119.4(5) . . ?
C35 C31 C30 121.7(4) . . ?
C31 C32 C27 124.1(4) . . ?
C31 C32 C33 108.3(4) . . ?
C27 C32 C33 118.1(4) . . ?
C77 C33 C34 122.4(4) . . ?
C77 C33 C32 121.8(4) . . ?
C34 C33 C32 107.0(4) . . ?
C39 C34 C33 121.1(4) . . ?
C39 C34 C35 122.8(4) . . ?
C33 C34 C35 107.3(4) . . ?
C36 C35 C31 119.7(5) . . ?
C36 C35 C34 122.3(5) . . ?
C31 C35 C34 108.4(4) . . ?
C50 C36 C37 120.0(5) . . ?
C50 C36 C35 118.7(5) . . ?
C37 C36 C35 114.4(5) . . ?
C36 C37 C38 124.2(4) . . ?
C36 C37 C49 119.6(5) . . ?
C38 C37 C49 106.1(4) . . ?
C39 C38 C43 119.6(5) . . ?
C39 C38 C37 120.8(5) . . ?
C43 C38 C37 109.8(4) . . ?
C34 C39 C40 118.3(4) . . ?
C34 C39 C38 115.2(4) . . ?
C40 C39 C38 118.7(4) . . ?
C39 C40 C41 121.4(4) . . ?
C39 C40 C76 119.1(4) . . ?
C41 C40 C76 108.4(4) . . ?
C79 C41 C40 107.4(4) . . ?
C79 C41 C42 120.5(4) . . ?
C40 C41 C42 119.6(4) . . ?
C43 C42 C2 117.8(4) . . ?
C43 C42 C41 117.7(4) . . ?
C2 C42 C41 116.6(5) . . ?
C42 C43 C38 122.8(4) . . ?
C42 C43 C44 123.0(4) . . ?
C38 C43 C44 105.9(4) . . ?
C49 C44 C45 123.5(5) . . ?
C49 C44 C43 108.8(4) . . ?
C45 C44 C43 117.8(5) . . ?
C1 C45 C44 119.8(4) . . ?
C1 C45 C46 116.9(5) . . ?
C44 C45 C46 116.6(5) . . ?
C45 C46 C47 120.0(4) . . ?
C45 C46 C67 120.5(5) . . ?
C47 C46 C67 108.7(4) . . ?
C63 C47 C48 122.3(5) . . ?
C63 C47 C46 107.5(4) . . ?
C48 C47 C46 122.2(4) . . ?
C51 C48 C47 118.2(5) . . ?
C51 C48 C49 118.9(5) . . ?
C47 C48 C49 115.8(5) . . ?
C44 C49 C48 121.2(5) . . ?
C44 C49 C37 109.3(4) . . ?
C48 C49 C37 119.5(5) . . ?
C36 C50 C51 120.7(5) . . ?
C36 C50 C54 121.5(5) . . ?
C51 C50 C54 107.7(5) . . ?
C48 C51 C50 121.1(5) . . ?
C48 C51 C52 120.0(5) . . ?
C50 C51 C52 109.3(5) . . ?
C62 C52 C51 123.0(5) . . ?
C62 C52 C53 119.8(5) . . ?
C51 C52 C53 107.4(5) . . ?
C56 C53 C54 122.1(5) . . ?
C56 C53 C52 120.9(4) . . ?
C54 C53 C52 106.7(5) . . ?
C30 C54 C53 120.6(5) . . ?
C30 C54 C50 121.1(5) . . ?
C53 C54 C50 108.8(5) . . ?
C22 C55 C56 124.3(4) . . ?
C22 C55 C29 108.8(4) . . ?
C56 C55 C29 117.9(4) . . ?
C53 C56 C57 118.7(4) . . ?
C53 C56 C55 118.6(4) . . ?
C57 C56 C55 115.7(4) . . ?
C56 C57 C61 121.1(5) . . ?
C56 C57 C58 120.8(4) . . ?
C61 C57 C58 108.8(4) . . ?
C59 C58 C57 107.7(4) . . ?
C59 C58 C21 120.4(4) . . ?
C57 C58 C21 123.0(4) . . ?
C15 C59 C58 122.2(4) . . ?
C15 C59 C60 120.1(4) . . ?
C58 C59 C60 108.9(4) . . ?
C65 C60 C61 122.8(4) . . ?
C65 C60 C59 122.8(4) . . ?
C61 C60 C59 106.3(4) . . ?
C62 C61 C57 120.5(4) . . ?
C62 C61 C60 120.8(4) . . ?
C57 C61 C60 108.3(4) . . ?
C61 C62 C52 118.8(4) . . ?
C61 C62 C63 117.7(4) . . ?
C52 C62 C63 116.0(5) . . ?
C47 C63 C62 120.2(4) . . ?
C47 C63 C64 109.5(4) . . ?
C62 C63 C64 121.7(4) . . ?
C65 C64 C67 121.6(4) . . ?
C65 C64 C63 119.0(4) . . ?
C67 C64 C63 107.8(4) . . ?
C66 C65 C60 115.1(4) . . ?
C66 C65 C64 118.6(4) . . ?
C60 C65 C64 117.6(4) . . ?
C65 C66 C14 123.4(4) . . ?
C65 C66 C7 121.5(4) . . ?
C14 C66 C7 106.5(3) . . ?
C6 C67 C64 118.6(4) . . ?
C6 C67 C46 121.6(4) . . ?
C64 C67 C46 106.4(4) . . ?
C80 C68 C10 121.4(4) . . ?
C80 C68 C69 122.1(4) . . ?
C10 C68 C69 107.3(4) . . ?
C70 C69 C74 122.4(4) . . ?
C70 C69 C68 107.5(4) . . ?
C74 C69 C68 120.8(4) . . ?
C71 C70 C69 120.3(4) . . ?
C71 C70 C11 120.3(4) . . ?
C69 C70 C11 109.1(4) . . ?
C70 C71 C72 118.5(4) . . ?
C70 C71 C18 118.9(4) . . ?
C72 C71 C18 115.1(4) . . ?
C73 C72 C71 121.7(4) . . ?
C73 C72 C25 107.4(4) . . ?
C71 C72 C25 121.9(4) . . ?
C72 C73 C74 120.3(4) . . ?
C72 C73 C78 109.2(4) . . ?
C74 C73 C78 120.7(4) . . ?
C75 C74 C69 117.5(4) . . ?
C75 C74 C73 118.2(4) . . ?
C69 C74 C73 116.6(4) . . ?
C74 C75 C79 121.6(4) . . ?
C74 C75 C76 121.3(4) . . ?
C79 C75 C76 108.1(4) . . ?
C77 C76 C75 121.2(4) . . ?
C77 C76 C40 122.3(4) . . ?
C75 C76 C40 106.8(4) . . ?
C33 C77 C78 118.1(4) . . ?
C33 C77 C76 116.5(4) . . ?
C78 C77 C76 117.3(4) . . ?
C26 C78 C77 121.5(4) . . ?
C26 C78 C73 108.0(4) . . ?
C77 C78 C73 121.0(4) . . ?
C41 C79 C75 109.2(4) . . ?
C41 C79 C80 121.5(4) . . ?
C75 C79 C80 120.6(5) . . ?
C68 C80 C3 118.7(4) . . ?
C68 C80 C79 117.2(4) . . ?
C3 C80 C79 115.9(4) . . ?
N2P Ni1P N4P 177.71(8) . . ?
N2P Ni1P N3P 89.92(9) . . ?
N4P Ni1P N3P 90.13(9) . . ?
N2P Ni1P N1P 89.97(9) . . ?
N4P Ni1P N1P 89.89(9) . . ?
N3P Ni1P N1P 177.85(8) . . ?
C4P N1P C1P 104.1(2) . . ?
C4P N1P Ni1P 128.02(16) . . ?
C1P N1P Ni1P 127.85(18) . . ?
C6P N2P C9P 104.2(2) . . ?
C6P N2P Ni1P 127.62(16) . . ?
C9P N2P Ni1P 128.13(17) . . ?
C14P N3P C11P 104.4(2) . . ?
C14P N3P Ni1P 127.77(17) . . ?
C11P N3P Ni1P 127.78(17) . . ?
C16P N4P C19P 104.3(2) . . ?
C16P N4P Ni1P 127.84(17) . . ?
C19P N4P Ni1P 127.86(18) . . ?
C20P C1P N1P 125.0(2) . . ?
C20P C1P C2P 123.8(2) . . ?
N1P C1P C2P 111.2(2) . . ?
C3P C2P C1P 106.7(2) . . ?
C3P C2P C21P 128.5(3) . . ?
C1P C2P C21P 124.6(2) . . ?
C2P C3P C4P 106.0(2) . . ?
C2P C3P C23P 128.8(2) . . ?
C4P C3P C23P 125.1(2) . . ?
C5P C4P N1P 124.9(2) . . ?
C5P C4P C3P 123.1(2) . . ?
N1P C4P C3P 112.0(2) . . ?
C4P C5P C6P 123.7(2) . . ?
N2P C6P C5P 125.7(2) . . ?
N2P C6P C7P 111.6(2) . . ?
C5P C6P C7P 122.6(2) . . ?
C8P C7P C6P 106.2(2) . . ?
C8P C7P C25P 128.9(2) . . ?
C6P C7P C25P 124.8(2) . . ?
C7P C8P C9P 106.3(2) . . ?
C7P C8P C27P 129.0(3) . . ?
C9P C8P C27P 124.7(2) . . ?
N2P C9P C10P 125.1(2) . . ?
N2P C9P C8P 111.6(2) . . ?
C10P C9P C8P 123.3(2) . . ?
C11P C10P C9P 123.8(2) . . ?
C10P C11P N3P 125.2(2) . . ?
C10P C11P C12P 123.3(2) . . ?
N3P C11P C12P 111.5(2) . . ?
C13P C12P C11P 106.2(2) . . ?
C13P C12P C29P 129.2(3) . . ?
C11P C12P C29P 124.5(3) . . ?
C12P C13P C14P 106.8(2) . . ?
C12P C13P C31P 128.2(3) . . ?
C14P C13P C31P 124.9(3) . . ?
C15P C14P N3P 124.9(2) . . ?
C15P C14P C13P 123.9(3) . . ?
N3P C14P C13P 111.2(2) . . ?
C14P C15P C16P 124.2(3) . . ?
N4P C16P C15P 125.1(2) . . ?
N4P C16P C17P 111.3(2) . . ?
C15P C16P C17P 123.6(3) . . ?
C18P C17P C16P 106.3(2) . . ?
C18P C17P C33P 128.0(2) . . ?
C16P C17P C33P 125.6(3) . . ?
C17P C18P C19P 106.5(2) . . ?
C17P C18P C35P 127.8(3) . . ?
C19P C18P C35P 125.7(3) . . ?
C20P C19P N4P 125.1(2) . . ?
C20P C19P C18P 123.2(2) . . ?
N4P C19P C18P 111.6(2) . . ?
C1P C20P C19P 124.2(2) . . ?
C2P C21P C22P 111.5(2) . . ?
C3P C23P C24P 112.5(3) . . ?
C7P C25P C26P 113.2(2) . . ?
C8P C27P C28P 112.8(2) . . ?
C12P C29P C30P 113.1(3) . . ?
C13P C31P C32P 112.2(4) . . ?
C17P C33P C34P 112.8(3) . . ?
C18P C35P C36P 113.3(3) . . ?
C6S C1S C2S 120.0(4) . . ?
C3S C2S C1S 121.5(4) . . ?
C2S C3S C4S 118.4(4) . . ?
C5S C4S C3S 120.2(4) . . ?
C4S C5S C6S 119.9(4) . . ?
C1S C6S C5S 120.0(4) . . ?
C8S C7S C12S 120.0 . . ?
C9S C8S C7S 120.0 . . ?
C8S C9S C10S 120.0 . . ?
C11S C10S C9S 120.0 . . ?
C10S C11S C12S 120.0 . . ?
C11S C12S C7S 120.0 . . ?

_refine_diff_density_max         1.531
_refine_diff_density_min         -1.142
_refine_diff_density_rms         0.119



####################################################################### 
# 
# 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_sc3n@c80-160k
_database_code_depnum_ccdc_archive 'CCDC 2027146'
loop_
_audit_author_name
_audit_author_address
'Fupin Liu'
;Leibniz Institute for Solid State and Materials Research, Dresden
Germany
;
_audit_update_record             
;
2020-09-03 deposited with the CCDC.	2020-11-03 downloaded from the CCDC.
;
# start Validation Reply Form
_vrf_PLAT308_sc3n@c80-160k       
;
PROBLEM: Single Bonded Metal Atom 
RESPONSE: This is disordered endohedral metal atom
;
_vrf_PLAT029_sc3n@c80-160k       
;
PROBLEM: diffrn_measured_fraction_theta_full value low
RESPONSE: This is caused by the limited phi scan with synchrotron radiation 
X-ray diffraction facility
;

_audit_creation_method           SHELXL-2018/3
_shelx_SHELXL_version_number     2018/3
_chemical_name_systematic        ?
_chemical_name_common            ;Sc3N@Ih(7)-C80/NiOEP/2C6H6;
_chemical_melting_point          ?
_chemical_formula_moiety         ;Sc3N@C80/NiOEP/2C6H6;
_chemical_formula_sum            'C128 H56 N5 Ni Sc3'
_chemical_formula_weight         1857.36

loop_
_atom_type_symbol
_atom_type_description
_atom_type_scat_dispersion_real
_atom_type_scat_dispersion_imag
_atom_type_scat_source
C C 0.0048 0.0021 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
H H 0.0000 0.0000 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
N N 0.0087 0.0042 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Sc Sc 0.3094 0.4822 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Ni Ni 0.3285 1.3900 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'

_space_group_crystal_system      triclinic
_space_group_IT_number           2
_space_group_name_H-M_alt        'P -1'
_space_group_name_Hall           '-P 1'

_shelx_space_group_comment       
;
The symmetry employed for this shelxl refinement is uniquely defined
by the following loop, which should always be used as a source of
symmetry information in preference to the above space-group names.
They are only intended as comments.
;

loop_
_space_group_symop_operation_xyz
'x, y, z'
'-x, -y, -z'

_cell_length_a                   14.750(3)
_cell_length_b                   15.440(3)
_cell_length_c                   17.730(4)
_cell_angle_alpha                81.22(3)
_cell_angle_beta                 74.56(3)
_cell_angle_gamma                86.31(3)
_cell_volume                     3845.3(15)
_cell_formula_units_Z            2
_cell_measurement_temperature    160(2)
_cell_measurement_reflns_used    72357
_cell_measurement_theta_min      2.361
_cell_measurement_theta_max      36.621

_exptl_crystal_description       block
_exptl_crystal_colour            black
_exptl_crystal_density_meas      ?
_exptl_crystal_density_method    ?
_exptl_crystal_density_diffrn    1.604
_exptl_crystal_F_000             1900
_exptl_transmission_factor_min   ?
_exptl_transmission_factor_max   ?
_exptl_crystal_size_max          0.100
_exptl_crystal_size_mid          0.080
_exptl_crystal_size_min          0.060
_exptl_absorpt_coefficient_mu    0.778
_shelx_estimated_absorpt_T_min   0.926
_shelx_estimated_absorpt_T_max   0.955
_exptl_absorpt_correction_type   ?
_exptl_absorpt_correction_T_min  ?
_exptl_absorpt_correction_T_max  ?
_exptl_absorpt_process_details   ?
_exptl_absorpt_special_details   ?
_diffrn_ambient_temperature      160(2)
_diffrn_radiation_wavelength     0.7999
_diffrn_radiation_type           synchrotron
_diffrn_source                   'BESSY BL MX-14.2'
_diffrn_measurement_device_type  PILATUS
_diffrn_measurement_method       'phi scan'
_diffrn_detector_area_resol_mean ?
_diffrn_reflns_number            72357
_diffrn_reflns_av_unetI/netI     0.0507
_diffrn_reflns_av_R_equivalents  0.0559
_diffrn_reflns_limit_h_min       -21
_diffrn_reflns_limit_h_max       20
_diffrn_reflns_limit_k_min       -20
_diffrn_reflns_limit_k_max       20
_diffrn_reflns_limit_l_min       -25
_diffrn_reflns_limit_l_max       25
_diffrn_reflns_theta_min         2.361
_diffrn_reflns_theta_max         36.621
_diffrn_reflns_theta_full        28.681
_diffrn_measured_fraction_theta_max 0.784
_diffrn_measured_fraction_theta_full 0.914
_diffrn_reflns_Laue_measured_fraction_max 0.784
_diffrn_reflns_Laue_measured_fraction_full 0.914
_diffrn_reflns_point_group_measured_fraction_max 0.784
_diffrn_reflns_point_group_measured_fraction_full 0.914
_reflns_number_total             20938
_reflns_number_gt                20585
_reflns_threshold_expression     'I > 2σ(I)'
_reflns_Friedel_coverage         0.000
_reflns_Friedel_fraction_max     .
_reflns_Friedel_fraction_full    .

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

_computing_data_collection       XDS
_computing_cell_refinement       XDS
_computing_data_reduction        XDS
_computing_structure_solution    'SHELXT 2018/2 (Sheldrick, 2018)'
_computing_structure_refinement  'SHELXL-2018/3 (Sheldrick, 2018)'
_computing_molecular_graphics    ?
_computing_publication_material  ?
_refine_special_details          ?
_refine_ls_structure_factor_coef Fsqd
_refine_ls_matrix_type           full
_refine_ls_weighting_scheme      calc
_refine_ls_weighting_details     
'w=1/[σ²(Fo²)+(0.1739P)²+6.9096P] where P=(Fo²+2Fc²)/3'
_atom_sites_solution_primary     ?
_atom_sites_solution_secondary   ?
_atom_sites_solution_hydrogens   geom
_refine_ls_hydrogen_treatment    constr
_refine_ls_extinction_method     none
_refine_ls_extinction_coef       .
_refine_ls_number_reflns         20938
_refine_ls_number_parameters     1365
_refine_ls_number_restraints     235
_refine_ls_R_factor_all          0.1011
_refine_ls_R_factor_gt           0.1002
_refine_ls_wR_factor_ref         0.2832
_refine_ls_wR_factor_gt          0.2821
_refine_ls_goodness_of_fit_ref   1.032
_refine_ls_restrained_S_all      1.058
_refine_ls_shift/su_max          0.115
_refine_ls_shift/su_mean         0.002

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
N1 N 0.55949(15) 0.79186(15) 0.76268(12) 0.0220(4) Uani 1 1 d . . . A 1
Sc1 Sc 0.6064(3) 0.7138(4) 0.6786(3) 0.0618(12) Uani 0.276(3) 1 d . U P B 2
Sc2 Sc 0.4501(2) 0.8610(3) 0.8188(3) 0.0834(14) Uani 0.334(3) 1 d . U P B 2
Sc3 Sc 0.6257(6) 0.7096(5) 0.8328(5) 0.0668(15) Uani 0.198(3) 1 d . U P B 2
Sc4 Sc 0.5962(10) 0.6805(9) 0.7216(9) 0.077(2) Uani 0.107(3) 1 d . U P B 2
Sc5 Sc 0.5296(14) 0.7808(13) 0.8798(7) 0.102(3) Uani 0.108(3) 1 d . U P B 2
Sc6 Sc 0.4345(5) 0.8570(6) 0.7698(6) 0.0799(19) Uani 0.197(3) 1 d . U P B 2
Sc7 Sc 0.6696(4) 0.7485(6) 0.8056(4) 0.0746(16) Uani 0.198(3) 1 d . U P B 2
Sc8 Sc 0.4945(5) 0.9110(5) 0.7543(6) 0.098(2) Uani 0.219(3) 1 d . U P B 2
Sc9 Sc 0.6092(4) 0.7641(4) 0.6519(2) 0.0755(13) Uani 0.352(3) 1 d . U P B 2
Sc10 Sc 0.4633(8) 0.8761(9) 0.7297(9) 0.089(3) Uani 0.154(3) 1 d . U P B 2
Sc11 Sc 0.6209(5) 0.7960(5) 0.8485(4) 0.0863(16) Uani 0.231(3) 1 d . U P B 2
Sc12 Sc 0.5826(6) 0.7376(6) 0.8653(3) 0.0819(16) Uani 0.222(3) 1 d . U P B 2
Sc13 Sc 0.5436(10) 0.7748(8) 0.6583(5) 0.084(2) Uani 0.133(3) 1 d . U P B 2
Sc14 Sc 0.6141(11) 0.8230(12) 0.6476(7) 0.087(3) Uani 0.102(3) 1 d . U P B 2
Sc15 Sc 0.6940(10) 0.7931(11) 0.7010(9) 0.098(3) Uani 0.102(3) 1 d . U P B 2
Sc16 Sc 0.6189(16) 0.6730(15) 0.7985(12) 0.082(3) Uani 0.068(3) 1 d . U P B 2
C1 C 0.7813(4) 0.6484(4) 0.6541(3) 0.0639(14) Uani 1 1 d . . . C 1
C2 C 0.8084(5) 0.6573(6) 0.7267(5) 0.101(3) Uani 1 1 d . . . C 1
C3 C 0.8406(3) 0.7419(6) 0.7234(4) 0.084(2) Uani 1 1 d . . . C 1
C4 C 0.8383(3) 0.7925(5) 0.6464(4) 0.0699(15) Uani 1 1 d . . . C 1
C5 C 0.8026(4) 0.7385(8) 0.6060(4) 0.118(3) Uani 1 1 d . . . C 1
C6 C 0.7512(5) 0.7676(6) 0.5521(3) 0.097(3) Uani 1 1 d . . . C 1
C7 C 0.7342(4) 0.8613(4) 0.5421(2) 0.0706(15) Uani 1 1 d . . . C 1
C8 C 0.7634(4) 0.9183(5) 0.5846(3) 0.0781(18) Uani 1 1 d . . . C 1
C9 C 0.8181(4) 0.8829(6) 0.6413(4) 0.092(2) Uani 1 1 d . . . C 1
C10 C 0.8052(4) 0.9224(6) 0.7063(5) 0.094(2) Uani 1 1 d . . . C 1
C11 C 0.7382(5) 0.9950(4) 0.7192(4) 0.082(2) Uani 1 1 d . . . C 1
C12 C 0.6835(6) 1.0253(4) 0.6689(4) 0.089(2) Uani 1 1 d . . . C 1
C13 C 0.6967(6) 0.9871(5) 0.5998(4) 0.092(2) Uani 1 1 d . . . C 1
C14 C 0.6217(5) 0.9741(4) 0.5644(3) 0.0714(15) Uani 1 1 d . . . C 1
C15 C 0.5278(7) 0.9990(6) 0.5995(4) 0.100(3) Uani 1 1 d . . . C 1
C16 C 0.5114(6) 1.0468(4) 0.6671(4) 0.086(2) Uani 1 1 d . . . C 1
C17 C 0.5911(6) 1.0565(4) 0.6992(5) 0.086(2) Uani 1 1 d . . . C 1
C18 C 0.5575(5) 1.0533(3) 0.7795(4) 0.0775(17) Uani 1 1 d . . . C 1
C19 C 0.4580(6) 1.0398(4) 0.8012(5) 0.089(2) Uani 1 1 d . . . C 1
C20 C 0.4272(6) 1.0337(5) 0.7311(6) 0.100(3) Uani 1 1 d . . . C 1
C21 C 0.3539(5) 0.9753(6) 0.7274(4) 0.098(3) Uani 1 1 d . . . C 1
C22 C 0.3064(5) 0.9327(7) 0.7991(6) 0.122(4) Uani 1 1 d . . . C 1
C23 C 0.3318(4) 0.9405(4) 0.8743(3) 0.0650(13) Uani 1 1 d . . . C 1
C24 C 0.4062(7) 0.9894(6) 0.8728(6) 0.117(3) Uani 1 1 d . . . C 1
C25 C 0.4643(6) 0.9633(5) 0.9211(5) 0.104(3) Uani 1 1 d . . . C 1
C26 C 0.4374(5) 0.8763(5) 0.9752(3) 0.0791(18) Uani 1 1 d . . . C 1
C27 C 0.3676(5) 0.8181(7) 0.9724(3) 0.106(3) Uani 1 1 d . . . C 1
C28 C 0.3134(5) 0.8514(9) 0.9214(5) 0.132(4) Uani 1 1 d . . . C 1
C29 C 0.2802(3) 0.7934(5) 0.8785(4) 0.0825(19) Uani 1 1 d . . . C 1
C30 C 0.2991(4) 0.7034(6) 0.8841(5) 0.099(3) Uani 1 1 d . . . C 1
C31 C 0.3551(5) 0.6670(6) 0.9422(4) 0.100(3) Uani 1 1 d . . . C 1
C32 C 0.3841(4) 0.7245(5) 0.9827(3) 0.0804(19) Uani 1 1 d . . . C 1
C33 C 0.4753(5) 0.6940(6) 0.9971(2) 0.089(2) Uani 1 1 d . . . C 1
C34 C 0.4970(6) 0.6112(4) 0.9615(3) 0.0818(19) Uani 1 1 d . . . C 1
C35 C 0.4219(7) 0.5965(5) 0.9275(4) 0.103(3) Uani 1 1 d . U . C 1
C36 C 0.4331(8) 0.5598(5) 0.8578(5) 0.111(3) Uani 1 1 d . . . C 1
C37 C 0.5267(8) 0.5277(4) 0.8283(6) 0.104(3) Uani 1 1 d . . . C 1
C38 C 0.6091(7) 0.5404(4) 0.8608(4) 0.101(3) Uani 1 1 d . U . C 1
C39 C 0.5936(8) 0.5859(6) 0.9269(5) 0.116(3) Uani 1 1 d . . . C 1
C40 C 0.6652(5) 0.6373(5) 0.9313(4) 0.0811(18) Uani 1 1 d . . . C 1
C41 C 0.7496(5) 0.6511(5) 0.8682(4) 0.083(2) Uani 1 1 d . . . C 1
C42 C 0.7646(5) 0.6139(7) 0.7980(4) 0.104(3) Uani 1 1 d . . . C 1
C43 C 0.6896(7) 0.5540(5) 0.7949(7) 0.109(3) Uani 1 1 d . . . C 1
C44 C 0.6609(7) 0.5463(4) 0.7253(5) 0.102(3) Uani 1 1 d . . . C 1
C45 C 0.7110(6) 0.5976(5) 0.6546(5) 0.100(3) Uani 1 1 d . . . C 1
C46 C 0.6578(7) 0.6211(6) 0.6007(5) 0.108(3) Uani 1 1 d . . . C 1
C47 C 0.5532(6) 0.6095(5) 0.6197(4) 0.090(2) Uani 1 1 d . . . C 1
C48 C 0.5015(8) 0.5687(4) 0.6927(5) 0.105(3) Uani 1 1 d . . . C 1
C49 C 0.5619(6) 0.5305(3) 0.7465(5) 0.089(2) Uani 1 1 d . . . C 1
C50 C 0.3798(8) 0.5882(6) 0.8063(5) 0.109(3) Uani 1 1 d . . . C 1
C51 C 0.4129(7) 0.5929(6) 0.7268(6) 0.111(3) Uani 1 1 d . . . C 1
C52 C 0.3731(5) 0.6678(6) 0.6838(6) 0.103(3) Uani 1 1 d . . . C 1
C53 C 0.3057(4) 0.7129(6) 0.7465(5) 0.100(3) Uani 1 1 d . . . C 1
C54 C 0.3108(6) 0.6633(8) 0.8207(7) 0.120(3) Uani 1 1 d . . . C 1
C55 C 0.2755(3) 0.8450(6) 0.8023(5) 0.086(2) Uani 1 1 d . . . C 1
C56 C 0.2930(3) 0.8006(6) 0.7350(5) 0.086(2) Uani 1 1 d . . . C 1
C57 C 0.3403(4) 0.8469(6) 0.6608(4) 0.081(2) Uani 1 1 d . . . C 1
C58 C 0.3705(5) 0.9358(5) 0.6583(4) 0.085(2) Uani 1 1 d . . . C 1
C59 C 0.4551(5) 0.9489(5) 0.5971(4) 0.0793(18) Uani 1 1 d . . . C 1
C60 C 0.4819(4) 0.8642(6) 0.5574(3) 0.085(2) Uani 1 1 d . . . C 1
C61 C 0.4044(5) 0.8063(6) 0.6006(4) 0.087(2) Uani 1 1 d . . . C 1
C62 C 0.4211(6) 0.7181(6) 0.6128(5) 0.093(2) Uani 1 1 d . . . C 1
C63 C 0.5177(6) 0.6841(5) 0.5784(4) 0.090(2) Uani 1 1 d . . . C 1
C64 C 0.5943(6) 0.7456(4) 0.5336(3) 0.089(2) Uani 1 1 d . . . C 1
C65 C 0.5744(5) 0.8390(5) 0.5254(3) 0.084(2) Uani 1 1 d . . . C 1
C66 C 0.6427(5) 0.8925(5) 0.5288(2) 0.082(2) Uani 1 1 d . . . C 1
C67 C 0.6814(5) 0.7065(5) 0.5466(3) 0.0779(18) Uani 1 1 d . . . C 1
C68 C 0.8092(4) 0.8756(6) 0.7793(5) 0.097(3) Uani 1 1 d . . . C 1
C69 C 0.7428(5) 0.9172(5) 0.8429(5) 0.086(2) Uani 1 1 d . . . C 1
C70 C 0.7041(6) 0.9919(5) 0.7997(5) 0.094(2) Uani 1 1 d . . . C 1
C71 C 0.6138(6) 1.0175(4) 0.8333(4) 0.090(2) Uani 1 1 d . . . C 1
C72 C 0.5626(5) 0.9742(4) 0.9058(4) 0.0756(17) Uani 1 1 d . . . C 1
C73 C 0.5994(6) 0.9012(5) 0.9464(4) 0.088(2) Uani 1 1 d . . . C 1
C74 C 0.6938(6) 0.8700(6) 0.9133(5) 0.097(2) Uani 1 1 d . . . C 1
C75 C 0.7134(6) 0.7802(6) 0.9250(4) 0.097(2) Uani 1 1 d . . . C 1
C76 C 0.6381(5) 0.7198(6) 0.9689(3) 0.091(2) Uani 1 1 d . . . C 1
C77 C 0.5429(6) 0.7472(5) 0.9994(3) 0.089(2) Uani 1 1 d . . . C 1
C78 C 0.5221(6) 0.8373(4) 0.9904(2) 0.089(2) Uani 1 1 d . . . C 1
C79 C 0.7786(4) 0.7381(6) 0.8648(4) 0.086(2) Uani 1 1 d . . . C 1
C80 C 0.8258(3) 0.7855(5) 0.7900(4) 0.0824(19) Uani 1 1 d . . . C 1
Ni1P Ni 0.92645(2) 0.54096(2) 0.58040(2) 0.01722(11) Uani 1 1 d . . . D 1
N1P N 0.88575(14) 0.56847(15) 0.48245(12) 0.0200(4) Uani 1 1 d . . . D 1
N2P N 1.00233(14) 0.64626(15) 0.55070(12) 0.0193(4) Uani 1 1 d . . . D 1
N3P N 0.96304(14) 0.51610(16) 0.68024(12) 0.0215(4) Uani 1 1 d . . . D 1
N4P N 0.84618(14) 0.43869(15) 0.61193(13) 0.0212(4) Uani 1 1 d . . . D 1
C1P C 0.82309(16) 0.52353(18) 0.45813(15) 0.0211(4) Uani 1 1 d . . . D 1
C2P C 0.80710(18) 0.56737(19) 0.38425(15) 0.0251(5) Uani 1 1 d . . . D 1
C3P C 0.86040(19) 0.6403(2) 0.36325(15) 0.0262(5) Uani 1 1 d . . . D 1
C4P C 0.90923(17) 0.63933(18) 0.42428(15) 0.0221(4) Uani 1 1 d . . . D 1
C5P C 0.96980(18) 0.70318(18) 0.42379(15) 0.0234(5) Uani 1 1 d . . . D 1
H5P H 0.983481 0.747822 0.379428 0.028 Uiso 1 1 calc R U . D 1
C6P C 1.01208(17) 0.70648(17) 0.48387(15) 0.0212(4) Uani 1 1 d . . . D 1
C7P C 1.07168(18) 0.77729(19) 0.48428(16) 0.0256(5) Uani 1 1 d . . . D 1
C8P C 1.09877(17) 0.75912(19) 0.55252(17) 0.0256(5) Uani 1 1 d . . . D 1
C9P C 1.05589(16) 0.67792(17) 0.59291(15) 0.0208(4) Uani 1 1 d . . . D 1
C10P C 1.06672(16) 0.63863(18) 0.66516(15) 0.0228(5) Uani 1 1 d . . . D 1
H10P H 1.107611 0.664829 0.687990 0.027 Uiso 1 1 calc R U . D 1
C11P C 1.02195(16) 0.56379(19) 0.70625(14) 0.0230(5) Uani 1 1 d . . . D 1
C12P C 1.02862(19) 0.5270(2) 0.78468(16) 0.0298(6) Uani 1 1 d . . . D 1
C13P C 0.9727(2) 0.4560(2) 0.80659(16) 0.0330(6) Uani 1 1 d . . . D 1
C14P C 0.93311(18) 0.4495(2) 0.74143(16) 0.0269(5) Uani 1 1 d . . . D 1
C15P C 0.8721(2) 0.3856(2) 0.74178(17) 0.0299(6) Uani 1 1 d . . . D 1
H15P H 0.857200 0.341846 0.786749 0.036 Uiso 1 1 calc R U . D 1
C16P C 0.83138(18) 0.38105(19) 0.68139(16) 0.0258(5) Uani 1 1 d . . . D 1
C17P C 0.7660(2) 0.31393(19) 0.68267(18) 0.0289(5) Uani 1 1 d . . . D 1
C18P C 0.74156(18) 0.33102(19) 0.61343(18) 0.0275(5) Uani 1 1 d . . . D 1
C19P C 0.79073(16) 0.40843(18) 0.57042(16) 0.0227(5) Uani 1 1 d . . . D 1
C20P C 0.78007(17) 0.44799(18) 0.49811(16) 0.0234(5) Uani 1 1 d . . . D 1
H20P H 0.740390 0.421134 0.474579 0.028 Uiso 1 1 calc R U . D 1
C21P C 0.7384(2) 0.5391(2) 0.34473(19) 0.0322(6) Uani 1 1 d . . . D 1
H21A H 0.740101 0.474365 0.349494 0.039 Uiso 1 1 calc R U . D 1
H21B H 0.756884 0.562786 0.287807 0.039 Uiso 1 1 calc R U . D 1
C22P C 0.6387(2) 0.5709(3) 0.3813(3) 0.0504(10) Uani 1 1 d . . . D 1
H22A H 0.595993 0.553847 0.352446 0.076 Uiso 1 1 calc R U . D 1
H22B H 0.637191 0.634903 0.378094 0.076 Uiso 1 1 calc R U . D 1
H22C H 0.618637 0.544464 0.436766 0.076 Uiso 1 1 calc R U . D 1
C23P C 0.8656(3) 0.7112(2) 0.29485(18) 0.0362(7) Uani 1 1 d . . . D 1
H23A H 0.846074 0.687789 0.252788 0.043 Uiso 1 1 calc R U . D 1
H23B H 0.931623 0.729703 0.273176 0.043 Uiso 1 1 calc R U . D 1
C24P C 0.8030(3) 0.7912(3) 0.3179(3) 0.0512(9) Uani 1 1 d . . . D 1
H24A H 0.808906 0.835945 0.271358 0.077 Uiso 1 1 calc R U . D 1
H24B H 0.822705 0.815277 0.358901 0.077 Uiso 1 1 calc R U . D 1
H24C H 0.737305 0.773576 0.338117 0.077 Uiso 1 1 calc R U . D 1
C25P C 1.0932(2) 0.8548(2) 0.4213(2) 0.0353(6) Uani 1 1 d . . . D 1
H25A H 1.112775 0.833978 0.369087 0.042 Uiso 1 1 calc R U . D 1
H25B H 1.146811 0.885687 0.427804 0.042 Uiso 1 1 calc R U . D 1
C26P C 1.0108(3) 0.9190(2) 0.4225(3) 0.0451(8) Uani 1 1 d . . . D 1
H26A H 1.030310 0.969549 0.381827 0.068 Uiso 1 1 calc R U . D 1
H26B H 0.989853 0.938684 0.474553 0.068 Uiso 1 1 calc R U . D 1
H26C H 0.959050 0.890128 0.412072 0.068 Uiso 1 1 calc R U . D 1
C27P C 1.1579(2) 0.8125(2) 0.5840(2) 0.0351(6) Uani 1 1 d . . . D 1
H27A H 1.195397 0.853333 0.539742 0.042 Uiso 1 1 calc R U . D 1
H27B H 1.202390 0.772982 0.606736 0.042 Uiso 1 1 calc R U . D 1
C28P C 1.0996(3) 0.8652(3) 0.6471(3) 0.0580(13) Uani 1 1 d . . . D 1
H28A H 1.056838 0.905951 0.624470 0.087 Uiso 1 1 calc R U . D 1
H28B H 1.141530 0.898347 0.666003 0.087 Uiso 1 1 calc R U . D 1
H28C H 1.062851 0.825178 0.691391 0.087 Uiso 1 1 calc R U . D 1
C29P C 1.0832(2) 0.5658(3) 0.83105(18) 0.0393(7) Uani 1 1 d . . . D 1
H29A H 1.145239 0.583593 0.795769 0.047 Uiso 1 1 calc R U . D 1
H29B H 1.094298 0.520255 0.873637 0.047 Uiso 1 1 calc R U . D 1
C30P C 1.0335(3) 0.6452(4) 0.8679(3) 0.0587(12) Uani 1 1 d . . . D 1
H30A H 1.022679 0.690840 0.826072 0.088 Uiso 1 1 calc R U . D 1
H30B H 1.073021 0.668066 0.896516 0.088 Uiso 1 1 calc R U . D 1
H30C H 0.973112 0.627611 0.904601 0.088 Uiso 1 1 calc R U . D 1
C31P C 0.9497(3) 0.3969(3) 0.8845(2) 0.0509(11) Uani 1 1 d . . . D 1
H31A H 1.001792 0.397491 0.909915 0.061 Uiso 1 1 calc R U . D 1
H31B H 0.944110 0.336154 0.875145 0.061 Uiso 1 1 calc R U . D 1
C32P C 0.8581(3) 0.4251(5) 0.9404(3) 0.086(2) Uani 1 1 d . . . D 1
H32A H 0.804919 0.415931 0.919288 0.129 Uiso 1 1 calc R U . D 1
H32B H 0.860420 0.487256 0.945075 0.129 Uiso 1 1 calc R U . D 1
H32C H 0.850102 0.390036 0.992584 0.129 Uiso 1 1 calc R U . D 1
C33P C 0.7314(3) 0.2429(2) 0.7499(2) 0.0423(8) Uani 1 1 d . . . D 1
H33A H 0.782618 0.224208 0.775725 0.051 Uiso 1 1 calc R U . D 1
H33B H 0.715231 0.191736 0.728902 0.051 Uiso 1 1 calc R U . D 1
C34P C 0.6462(4) 0.2711(4) 0.8109(2) 0.0720(16) Uani 1 1 d . . . D 1
H34A H 0.593137 0.283816 0.787003 0.108 Uiso 1 1 calc R U . D 1
H34B H 0.660505 0.323826 0.829616 0.108 Uiso 1 1 calc R U . D 1
H34C H 0.629646 0.223901 0.855483 0.108 Uiso 1 1 calc R U . D 1
C35P C 0.6761(2) 0.2807(2) 0.5850(2) 0.0353(6) Uani 1 1 d . . . D 1
H35A H 0.676663 0.218683 0.609555 0.042 Uiso 1 1 calc R U . D 1
H35B H 0.699378 0.282337 0.527084 0.042 Uiso 1 1 calc R U . D 1
C36P C 0.5756(3) 0.3169(4) 0.6045(3) 0.0572(12) Uani 1 1 d . . . D 1
H36A H 0.535748 0.280661 0.586339 0.086 Uiso 1 1 calc R U . D 1
H36B H 0.573974 0.377259 0.578031 0.086 Uiso 1 1 calc R U . D 1
H36C H 0.552251 0.315988 0.661819 0.086 Uiso 1 1 calc R U . D 1
C1S C 0.7317(3) 0.6225(3) 1.1160(3) 0.0514(9) Uani 1 1 d . . . E 1
H1S H 0.730131 0.561846 1.112463 0.062 Uiso 1 1 calc R U . E 1
C2S C 0.6562(4) 0.6629(3) 1.1626(3) 0.0579(11) Uani 1 1 d . . . E 1
H2S H 0.602757 0.629251 1.190515 0.070 Uiso 1 1 calc R U . E 1
C3S C 0.6553(4) 0.7478(4) 1.1701(3) 0.0643(12) Uani 1 1 d . . . E 1
H3S H 0.601591 0.774169 1.201955 0.077 Uiso 1 1 calc R U . E 1
C4S C 0.7331(4) 0.7967(4) 1.1311(4) 0.0689(14) Uani 1 1 d . . . E 1
H4S H 0.734240 0.856553 1.137520 0.083 Uiso 1 1 calc R U . E 1
C5S C 0.8104(4) 0.7583(4) 1.0821(3) 0.0696(15) Uani 1 1 d . . . E 1
H5S H 0.863627 0.792005 1.053814 0.084 Uiso 1 1 calc R U . E 1
C6S C 0.8080(3) 0.6691(4) 1.0754(3) 0.0558(11) Uani 1 1 d . . . E 1
H6S H 0.859894 0.641729 1.042335 0.067 Uiso 1 1 calc R U . E 1
C7S C 1.0057(7) 1.0330(8) 0.7975(4) 0.182(4) Uani 1 1 d G U . F 1
H7S H 1.046546 1.039136 0.745631 0.219 Uiso 1 1 calc R U . F 1
C8S C 0.9384(8) 1.0980(6) 0.8196(6) 0.189(4) Uani 1 1 d G U . F 1
H8S H 0.933190 1.148556 0.782912 0.226 Uiso 1 1 calc R U . F 1
C9S C 0.8786(6) 1.0890(7) 0.8955(6) 0.187(4) Uani 1 1 d G U . F 1
H9S H 0.832602 1.133430 0.910596 0.224 Uiso 1 1 calc R U . F 1
C10S C 0.8862(7) 1.0150(8) 0.9492(4) 0.206(5) Uani 1 1 d G U . F 1
H10S H 0.845370 1.008886 1.001000 0.247 Uiso 1 1 calc R U . F 1
C11S C 0.9535(8) 0.9500(7) 0.9270(6) 0.220(5) Uani 1 1 d G U . F 1
H11S H 0.958726 0.899466 0.963719 0.264 Uiso 1 1 calc R U . F 1
C12S C 1.0133(7) 0.9590(6) 0.8512(6) 0.197(5) Uani 1 1 d G U . F 1
H12S H 1.059314 0.914589 0.836035 0.236 Uiso 1 1 calc R U . F 1


_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
Sc1 Sc9 0.843(6) . ?
Sc1 Sc4 0.835(16) . ?
Sc1 Sc13 1.355(14) . ?
Sc1 Sc14 1.694(19) . ?
Sc1 Sc15 1.988(19) . ?
Sc1 Sc16 2.18(2) . ?
Sc1 Sc7 2.790(7) . ?
Sc1 Sc3 2.815(8) . ?
Sc1 Sc10 3.248(12) . ?
Sc1 Sc12 3.310(7) . ?
Sc1 Sc6 3.482(7) . ?
Sc1 Sc11 3.505(5) . ?
Sc2 Sc6 0.967(9) . ?
Sc2 Sc8 1.314(11) . ?
Sc2 Sc10 1.522(15) . ?
Sc2 Sc5 2.038(17) . ?
Sc2 Sc11 2.801(7) . ?
Sc2 Sc12 2.834(9) . ?
Sc2 Sc13 3.255(10) . ?
Sc2 Sc3 3.409(9) . ?
Sc2 Sc14 3.443(12) . ?
Sc2 Sc7 3.543(6) . ?
Sc2 Sc16 3.70(2) . ?
Sc2 Sc9 3.701(5) . ?
Sc3 Sc12 0.876(9) . ?
Sc3 Sc7 0.899(9) . ?
Sc3 Sc16 0.92(2) . ?
Sc3 Sc11 1.398(10) . ?
Sc3 Sc5 1.83(2) . ?
Sc3 Sc4 2.244(15) . ?
Sc3 Sc15 2.477(17) . ?
Sc3 Sc9 3.259(8) . ?
Sc3 Sc14 3.521(15) . ?
Sc3 Sc13 3.598(11) . ?
Sc4 Sc16 1.48(3) . ?
Sc4 Sc9 1.627(17) . ?
Sc4 Sc13 1.95(2) . ?
Sc4 Sc15 2.25(2) . ?
Sc4 Sc14 2.38(2) . ?
Sc4 Sc7 2.445(14) . ?
Sc4 Sc12 2.775(14) . ?
Sc4 Sc11 3.182(12) . ?
Sc4 Sc5 3.301(19) . ?
Sc4 Sc10 3.493(18) . ?
Sc5 Sc12 1.001(18) . ?
Sc5 Sc11 1.33(2) . ?
Sc5 Sc7 2.21(2) . ?
Sc5 Sc16 2.45(3) . ?
Sc5 Sc6 2.774(17) . ?
Sc5 Sc8 2.893(17) . ?
Sc5 Sc10 3.194(18) . ?
Sc5 Sc15 3.43(2) . ?
Sc6 Sc10 0.751(13) . ?
Sc6 Sc8 1.203(13) . ?
Sc6 Sc13 2.630(14) . ?
Sc6 Sc14 3.017(15) . ?
Sc6 Sc9 3.262(8) . ?
Sc6 Sc12 3.397(10) . ?
Sc6 Sc11 3.421(9) . ?
Sc7 Sc11 1.202(9) . ?
Sc7 Sc12 1.430(11) . ?
Sc7 Sc16 1.46(3) . ?
Sc7 Sc15 1.825(17) . ?
Sc7 Sc9 3.056(8) . ?
Sc7 Sc14 3.157(15) . ?
Sc7 Sc13 3.550(11) . ?
Sc8 Sc10 0.951(14) . ?
Sc8 Sc14 2.690(16) . ?
Sc8 Sc13 2.843(13) . ?
Sc8 Sc11 3.121(10) . ?
Sc8 Sc9 3.230(9) . ?
Sc8 Sc15 3.350(16) . ?
Sc8 Sc12 3.469(10) . ?
Sc9 Sc14 0.907(18) . ?
Sc9 Sc13 0.951(13) . ?
Sc9 Sc15 1.81(2) . ?
Sc9 Sc16 2.79(2) . ?
Sc9 Sc10 2.862(13) . ?
Sc9 Sc11 3.643(6) . ?
Sc10 Sc13 2.239(18) . ?
Sc10 Sc14 2.478(19) . ?
Sc10 Sc15 3.492(18) . ?
Sc10 Sc11 3.579(11) . ?
Sc10 Sc12 3.694(12) . ?
Sc11 Sc12 1.056(9) . ?
Sc11 Sc16 2.22(3) . ?
Sc11 Sc15 2.555(16) . ?
Sc11 Sc14 3.551(13) . ?
Sc12 Sc16 1.62(2) . ?
Sc12 Sc15 2.964(16) . ?
Sc13 Sc14 1.27(2) . ?
Sc13 Sc15 2.57(2) . ?
Sc13 Sc16 3.15(2) . ?
Sc14 Sc15 1.70(2) . ?
Sc14 Sc16 3.28(2) . ?
Sc15 Sc16 2.43(3) . ?
C1 C45 1.337(11) . ?
C1 C2 1.472(11) . ?
C1 C5 1.521(12) . ?
C2 C42 1.353(11) . ?
C2 C3 1.407(12) . ?
C3 C80 1.408(10) . ?
C3 C4 1.473(10) . ?
C4 C5 1.387(11) . ?
C4 C9 1.403(10) . ?
C5 C6 1.379(10) . ?
C6 C7 1.445(10) . ?
C6 C67 1.471(11) . ?
C7 C8 1.397(9) . ?
C7 C66 1.470(10) . ?
C8 C13 1.406(11) . ?
C8 C9 1.472(10) . ?
C9 C10 1.349(10) . ?
C10 C68 1.396(11) . ?
C10 C11 1.450(11) . ?
C11 C12 1.369(11) . ?
C11 C70 1.375(10) . ?
C12 C13 1.402(10) . ?
C12 C17 1.408(11) . ?
C13 C14 1.447(10) . ?
C14 C15 1.413(11) . ?
C14 C66 1.474(10) . ?
C15 C59 1.375(11) . ?
C15 C16 1.460(12) . ?
C16 C20 1.444(12) . ?
C16 C17 1.460(11) . ?
C17 C18 1.371(10) . ?
C18 C19 1.435(10) . ?
C18 C71 1.452(11) . ?
C19 C24 1.435(12) . ?
C19 C20 1.450(12) . ?
C20 C21 1.471(13) . ?
C21 C22 1.368(11) . ?
C21 C58 1.408(10) . ?
C22 C55 1.445(13) . ?
C22 C23 1.501(12) . ?
C23 C24 1.364(12) . ?
C23 C28 1.496(13) . ?
C24 C25 1.367(13) . ?
C25 C72 1.418(11) . ?
C25 C26 1.534(12) . ?
C26 C78 1.424(10) . ?
C26 C27 1.425(12) . ?
C27 C28 1.383(12) . ?
C27 C32 1.441(11) . ?
C28 C29 1.444(13) . ?
C29 C30 1.394(11) . ?
C29 C55 1.475(11) . ?
C30 C54 1.330(12) . ?
C30 C31 1.508(12) . ?
C31 C32 1.377(11) . ?
C31 C35 1.427(12) . ?
C32 C33 1.469(10) . ?
C33 C77 1.344(10) . ?
C33 C34 1.491(11) . ?
C34 C35 1.440(11) . ?
C34 C39 1.447(13) . ?
C35 C36 1.402(12) . ?
C36 C50 1.364(14) . ?
C36 C37 1.427(14) . ?
C37 C49 1.399(12) . ?
C37 C38 1.511(14) . ?
C38 C39 1.417(13) . ?
C38 C43 1.428(13) . ?
C39 C40 1.386(12) . ?
C40 C41 1.437(10) . ?
C40 C76 1.510(11) . ?
C41 C42 1.408(10) . ?
C41 C79 1.424(11) . ?
C42 C43 1.504(14) . ?
C43 C44 1.430(13) . ?
C44 C45 1.424(12) . ?
C44 C49 1.435(12) . ?
C45 C46 1.385(12) . ?
C46 C47 1.505(12) . ?
C46 C67 1.509(12) . ?
C47 C48 1.392(11) . ?
C47 C63 1.417(11) . ?
C48 C51 1.342(12) . ?
C48 C49 1.505(13) . ?
C50 C51 1.355(12) . ?
C50 C54 1.498(14) . ?
C51 C52 1.464(13) . ?
C52 C62 1.410(12) . ?
C52 C53 1.506(12) . ?
C53 C56 1.346(11) . ?
C53 C54 1.436(13) . ?
C55 C56 1.423(10) . ?
C56 C57 1.421(10) . ?
C57 C61 1.420(10) . ?
C57 C58 1.462(11) . ?
C58 C59 1.422(9) . ?
C59 C60 1.558(11) . ?
C60 C65 1.386(9) . ?
C60 C61 1.467(10) . ?
C61 C62 1.363(11) . ?
C62 C63 1.489(11) . ?
C63 C64 1.496(11) . ?
C64 C65 1.447(10) . ?
C64 C67 1.443(10) . ?
C65 C66 1.363(9) . ?
C68 C80 1.390(11) . ?
C68 C69 1.482(11) . ?
C69 C74 1.386(11) . ?
C69 C70 1.457(11) . ?
C70 C71 1.367(11) . ?
C71 C72 1.398(10) . ?
C72 C73 1.402(10) . ?
C73 C74 1.441(11) . ?
C73 C78 1.523(11) . ?
C74 C75 1.393(11) . ?
C75 C79 1.440(11) . ?
C75 C76 1.470(12) . ?
C76 C77 1.425(10) . ?
C77 C78 1.400(10) . ?
C79 C80 1.434(10) . ?
Ni1P N4P 1.956(2) . ?
Ni1P N2P 1.958(2) . ?
Ni1P N3P 1.961(2) . ?
Ni1P N1P 1.963(2) . ?
N1P C4P 1.377(3) . ?
N1P C1P 1.381(3) . ?
N2P C6P 1.371(3) . ?
N2P C9P 1.378(3) . ?
N3P C14P 1.375(3) . ?
N3P C11P 1.382(3) . ?
N4P C19P 1.380(3) . ?
N4P C16P 1.380(3) . ?
C1P C20P 1.367(4) . ?
C1P C2P 1.450(4) . ?
C2P C3P 1.362(4) . ?
C2P C21P 1.495(4) . ?
C3P C4P 1.449(3) . ?
C3P C23P 1.494(4) . ?
C4P C5P 1.370(4) . ?
C5P C6P 1.379(3) . ?
C6P C7P 1.448(3) . ?
C7P C8P 1.357(4) . ?
C7P C25P 1.494(4) . ?
C8P C9P 1.439(4) . ?
C8P C27P 1.498(4) . ?
C9P C10P 1.376(4) . ?
C10P C11P 1.374(4) . ?
C11P C12P 1.446(4) . ?
C12P C13P 1.360(5) . ?
C12P C29P 1.499(4) . ?
C13P C14P 1.445(4) . ?
C13P C31P 1.504(4) . ?
C14P C15P 1.376(4) . ?
C15P C16P 1.372(4) . ?
C16P C17P 1.454(4) . ?
C17P C18P 1.353(4) . ?
C17P C33P 1.494(4) . ?
C18P C19P 1.440(4) . ?
C18P C35P 1.505(4) . ?
C19P C20P 1.378(4) . ?
C21P C22P 1.524(5) . ?
C23P C24P 1.534(6) . ?
C25P C26P 1.515(5) . ?
C27P C28P 1.527(5) . ?
C29P C30P 1.530(6) . ?
C31P C32P 1.529(7) . ?
C33P C34P 1.513(6) . ?
C35P C36P 1.519(5) . ?
C1S C6S 1.348(7) . ?
C1S C2S 1.375(7) . ?
C2S C3S 1.337(7) . ?
C3S C4S 1.376(9) . ?
C4S C5S 1.395(9) . ?
C5S C6S 1.405(8) . ?
C7S C8S 1.3900 . ?
C7S C12S 1.3900 . ?
C8S C9S 1.3900 . ?
C9S C10S 1.3900 . ?
C10S C11S 1.3900 . ?
C11S C12S 1.3900 . ?

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
Sc9 Sc1 Sc4 151.7(9) . . ?
Sc9 Sc1 Sc13 44.0(6) . . ?
Sc4 Sc1 Sc13 124.0(12) . . ?
Sc9 Sc1 Sc14 15.1(5) . . ?
Sc4 Sc1 Sc14 137.2(9) . . ?
Sc13 Sc1 Sc14 47.8(8) . . ?
Sc9 Sc1 Sc15 65.8(8) . . ?
Sc4 Sc1 Sc15 97.5(10) . . ?
Sc13 Sc1 Sc15 98.8(8) . . ?
Sc14 Sc1 Sc15 54.3(8) . . ?
Sc9 Sc1 Sc16 130.0(8) . . ?
Sc4 Sc1 Sc16 26.3(11) . . ?
Sc13 Sc1 Sc16 124.7(7) . . ?
Sc14 Sc1 Sc16 115.0(8) . . ?
Sc15 Sc1 Sc16 71.3(8) . . ?
Sc9 Sc1 Sc7 100.4(5) . . ?
Sc4 Sc1 Sc7 57.5(9) . . ?
Sc13 Sc1 Sc7 113.2(4) . . ?
Sc14 Sc1 Sc7 85.8(6) . . ?
Sc15 Sc1 Sc7 40.7(5) . . ?
Sc16 Sc1 Sc7 31.3(7) . . ?
Sc9 Sc1 Sc3 114.7(4) . . ?
Sc4 Sc1 Sc3 40.3(8) . . ?
Sc13 Sc1 Sc3 114.6(4) . . ?
Sc14 Sc1 Sc3 99.7(5) . . ?
Sc15 Sc1 Sc3 59.1(5) . . ?
Sc16 Sc1 Sc3 15.3(6) . . ?
Sc7 Sc1 Sc3 18.46(18) . . ?
Sc9 Sc1 Sc10 55.9(5) . . ?
Sc4 Sc1 Sc10 100.1(9) . . ?
Sc13 Sc1 Sc10 33.1(4) . . ?
Sc14 Sc1 Sc10 48.6(5) . . ?
Sc15 Sc1 Sc10 79.7(5) . . ?
Sc16 Sc1 Sc10 92.8(6) . . ?
Sc7 Sc1 Sc10 81.2(3) . . ?
Sc3 Sc1 Sc10 81.6(3) . . ?
Sc9 Sc1 Sc12 108.0(3) . . ?
Sc4 Sc1 Sc12 44.4(8) . . ?
Sc13 Sc1 Sc12 101.4(4) . . ?
Sc14 Sc1 Sc12 93.1(5) . . ?
Sc15 Sc1 Sc12 62.3(5) . . ?
Sc16 Sc1 Sc12 25.0(6) . . ?
Sc7 Sc1 Sc12 25.3(2) . . ?
Sc3 Sc1 Sc12 13.61(18) . . ?
Sc10 Sc1 Sc12 68.6(3) . . ?
Sc9 Sc1 Sc6 68.0(4) . . ?
Sc4 Sc1 Sc6 88.2(9) . . ?
Sc13 Sc1 Sc6 41.7(4) . . ?
Sc14 Sc1 Sc6 60.0(5) . . ?
Sc15 Sc1 Sc6 83.5(5) . . ?
Sc16 Sc1 Sc6 83.1(6) . . ?
Sc7 Sc1 Sc6 76.4(2) . . ?
Sc3 Sc1 Sc6 73.4(3) . . ?
Sc10 Sc1 Sc6 12.2(2) . . ?
Sc12 Sc1 Sc6 60.0(2) . . ?
Sc9 Sc1 Sc11 92.7(3) . . ?
Sc4 Sc1 Sc11 60.8(8) . . ?
Sc13 Sc1 Sc11 96.6(4) . . ?
Sc14 Sc1 Sc11 77.6(5) . . ?
Sc15 Sc1 Sc11 45.9(4) . . ?
Sc16 Sc1 Sc11 37.6(7) . . ?
Sc7 Sc1 Sc11 17.78(15) . . ?
Sc3 Sc1 Sc11 22.33(19) . . ?
Sc10 Sc1 Sc11 63.9(3) . . ?
Sc12 Sc1 Sc11 17.53(16) . . ?
Sc6 Sc1 Sc11 58.63(19) . . ?
Sc6 Sc2 Sc8 61.5(8) . . ?
Sc6 Sc2 Sc10 24.1(8) . . ?
Sc8 Sc2 Sc10 38.3(6) . . ?
Sc6 Sc2 Sc5 131.4(7) . . ?
Sc8 Sc2 Sc5 117.7(6) . . ?
Sc10 Sc2 Sc5 127.0(6) . . ?
Sc6 Sc2 Sc11 122.6(4) . . ?
Sc8 Sc2 Sc11 91.3(4) . . ?
Sc10 Sc2 Sc11 108.1(4) . . ?
Sc5 Sc2 Sc11 26.5(5) . . ?
Sc6 Sc2 Sc12 118.0(4) . . ?
Sc8 Sc2 Sc12 107.8(4) . . ?
Sc10 Sc2 Sc12 112.5(4) . . ?
Sc5 Sc2 Sc12 14.5(4) . . ?
Sc11 Sc2 Sc12 21.59(19) . . ?
Sc6 Sc2 Sc13 42.9(4) . . ?
Sc8 Sc2 Sc13 60.3(4) . . ?
Sc10 Sc2 Sc13 37.2(5) . . ?
Sc5 Sc2 Sc13 91.7(5) . . ?
Sc11 Sc2 Sc13 79.8(3) . . ?
Sc12 Sc2 Sc13 77.3(3) . . ?
Sc6 Sc2 Sc3 106.8(4) . . ?
Sc8 Sc2 Sc3 98.6(3) . . ?
Sc10 Sc2 Sc3 100.3(4) . . ?
Sc5 Sc2 Sc3 26.7(5) . . ?
Sc11 Sc2 Sc3 23.51(18) . . ?
Sc12 Sc2 Sc3 12.20(14) . . ?
Sc13 Sc2 Sc3 65.3(3) . . ?
Sc6 Sc2 Sc14 56.3(5) . . ?
Sc8 Sc2 Sc14 45.5(4) . . ?
Sc10 Sc2 Sc14 40.0(4) . . ?
Sc5 Sc2 Sc14 87.8(5) . . ?
Sc11 Sc2 Sc14 68.4(3) . . ?
Sc12 Sc2 Sc14 73.8(3) . . ?
Sc13 Sc2 Sc14 21.7(4) . . ?
Sc3 Sc2 Sc14 61.8(3) . . ?
Sc6 Sc2 Sc7 105.7(4) . . ?
Sc8 Sc2 Sc7 85.3(3) . . ?
Sc10 Sc2 Sc7 93.6(4) . . ?
Sc5 Sc2 Sc7 34.9(5) . . ?
Sc11 Sc2 Sc7 17.27(15) . . ?
Sc12 Sc2 Sc7 22.59(19) . . ?
Sc13 Sc2 Sc7 62.8(3) . . ?
Sc3 Sc2 Sc7 14.70(15) . . ?
Sc14 Sc2 Sc7 53.7(3) . . ?
Sc6 Sc2 Sc16 93.5(5) . . ?
Sc8 Sc2 Sc16 96.6(4) . . ?
Sc10 Sc2 Sc16 90.0(5) . . ?
Sc5 Sc2 Sc16 38.5(6) . . ?
Sc11 Sc2 Sc16 36.8(4) . . ?
Sc12 Sc2 Sc16 24.5(4) . . ?
Sc13 Sc2 Sc16 53.5(4) . . ?
Sc3 Sc2 Sc16 14.1(3) . . ?
Sc14 Sc2 Sc16 54.5(4) . . ?
Sc7 Sc2 Sc16 23.2(4) . . ?
Sc6 Sc2 Sc9 56.1(4) . . ?
Sc8 Sc2 Sc9 59.1(3) . . ?
Sc10 Sc2 Sc9 46.0(4) . . ?
Sc5 Sc2 Sc9 81.1(5) . . ?
Sc11 Sc2 Sc9 66.48(16) . . ?
Sc12 Sc2 Sc9 66.57(19) . . ?
Sc13 Sc2 Sc9 13.9(2) . . ?
Sc3 Sc2 Sc9 54.37(18) . . ?
Sc14 Sc2 Sc9 14.0(3) . . ?
Sc7 Sc2 Sc9 49.85(15) . . ?
Sc16 Sc2 Sc9 44.4(3) . . ?
Sc12 Sc3 Sc7 107.3(12) . . ?
Sc12 Sc3 Sc16 129.5(18) . . ?
Sc7 Sc3 Sc16 107.3(18) . . ?
Sc12 Sc3 Sc11 49.0(7) . . ?
Sc7 Sc3 Sc11 58.4(7) . . ?
Sc16 Sc3 Sc11 146.1(13) . . ?
Sc12 Sc3 Sc5 13.2(5) . . ?
Sc7 Sc3 Sc5 102.1(10) . . ?
Sc16 Sc3 Sc5 122.6(16) . . ?
Sc11 Sc3 Sc5 46.4(7) . . ?
Sc12 Sc3 Sc4 118.8(7) . . ?
Sc7 Sc3 Sc4 91.9(8) . . ?
Sc16 Sc3 Sc4 26.1(13) . . ?
Sc11 Sc3 Sc4 120.0(5) . . ?
Sc5 Sc3 Sc4 107.6(6) . . ?
Sc12 Sc3 Sc15 115.7(8) . . ?
Sc7 Sc3 Sc15 35.8(7) . . ?
Sc16 Sc3 Sc15 76.6(15) . . ?
Sc11 Sc3 Sc15 77.0(6) . . ?
Sc5 Sc3 Sc15 104.3(6) . . ?
Sc4 Sc3 Sc15 56.8(6) . . ?
Sc12 Sc3 Sc1 117.3(5) . . ?
Sc7 Sc3 Sc1 79.2(6) . . ?
Sc16 Sc3 Sc1 38.8(13) . . ?
Sc11 Sc3 Sc1 107.8(4) . . ?
Sc5 Sc3 Sc1 104.7(4) . . ?
Sc4 Sc3 Sc1 13.9(4) . . ?
Sc15 Sc3 Sc1 43.5(5) . . ?
Sc12 Sc3 Sc9 110.5(5) . . ?
Sc7 Sc3 Sc9 69.1(6) . . ?
Sc16 Sc3 Sc9 52.4(13) . . ?
Sc11 Sc3 Sc9 94.4(4) . . ?
Sc5 Sc3 Sc9 97.4(4) . . ?
Sc4 Sc3 Sc9 27.2(4) . . ?
Sc15 Sc3 Sc9 33.5(4) . . ?
Sc1 Sc3 Sc9 13.59(12) . . ?
Sc12 Sc3 Sc2 43.1(4) . . ?
Sc7 Sc3 Sc2 91.1(7) . . ?
Sc16 Sc3 Sc2 101.0(13) . . ?
Sc11 Sc3 Sc2 53.1(3) . . ?
Sc5 Sc3 Sc2 30.0(4) . . ?
Sc4 Sc3 Sc2 80.4(4) . . ?
Sc15 Sc3 Sc2 79.1(4) . . ?
Sc1 Sc3 Sc2 75.24(16) . . ?
Sc9 Sc3 Sc2 67.38(17) . . ?
Sc12 Sc3 Sc14 101.8(6) . . ?
Sc7 Sc3 Sc14 59.3(6) . . ?
Sc16 Sc3 Sc14 67.1(13) . . ?
Sc11 Sc3 Sc14 79.8(4) . . ?
Sc5 Sc3 Sc14 88.8(5) . . ?
Sc4 Sc3 Sc14 41.8(5) . . ?
Sc15 Sc3 Sc14 26.3(5) . . ?
Sc1 Sc3 Sc14 28.3(3) . . ?
Sc9 Sc3 Sc14 14.7(3) . . ?
Sc2 Sc3 Sc14 59.6(3) . . ?
Sc12 Sc3 Sc13 97.8(5) . . ?
Sc7 Sc3 Sc13 79.8(6) . . ?
Sc16 Sc3 Sc13 54.4(12) . . ?
Sc11 Sc3 Sc13 91.8(3) . . ?
Sc5 Sc3 Sc13 84.9(5) . . ?
Sc4 Sc3 Sc13 28.6(4) . . ?
Sc15 Sc3 Sc13 45.6(5) . . ?
Sc1 Sc3 Sc13 20.0(2) . . ?
Sc9 Sc3 Sc13 14.9(2) . . ?
Sc2 Sc3 Sc13 55.3(2) . . ?
Sc14 Sc3 Sc13 20.6(4) . . ?
Sc1 Sc4 Sc16 139.2(16) . . ?
Sc1 Sc4 Sc9 14.2(5) . . ?
Sc16 Sc4 Sc9 128.5(12) . . ?
Sc1 Sc4 Sc13 35.2(9) . . ?
Sc16 Sc4 Sc13 133.5(11) . . ?
Sc9 Sc4 Sc13 29.1(5) . . ?
Sc1 Sc4 Sc3 125.8(11) . . ?
Sc16 Sc4 Sc3 15.9(9) . . ?
Sc9 Sc4 Sc3 113.7(6) . . ?
Sc13 Sc4 Sc3 118.0(6) . . ?
Sc1 Sc4 Sc15 61.0(10) . . ?
Sc16 Sc4 Sc15 78.4(12) . . ?
Sc9 Sc4 Sc15 52.7(6) . . ?
Sc13 Sc4 Sc15 75.0(8) . . ?
Sc3 Sc4 Sc15 66.8(6) . . ?
Sc1 Sc4 Sc14 29.0(7) . . ?
Sc16 Sc4 Sc14 114.5(12) . . ?
Sc9 Sc4 Sc14 15.0(4) . . ?
Sc13 Sc4 Sc14 32.4(6) . . ?
Sc3 Sc4 Sc14 99.3(6) . . ?
Sc15 Sc4 Sc14 43.0(7) . . ?
Sc1 Sc4 Sc7 105.7(11) . . ?
Sc16 Sc4 Sc7 33.6(10) . . ?
Sc9 Sc4 Sc7 95.2(6) . . ?
Sc13 Sc4 Sc7 107.3(6) . . ?
Sc3 Sc4 Sc7 21.6(2) . . ?
Sc15 Sc4 Sc7 45.5(5) . . ?
Sc14 Sc4 Sc7 81.8(6) . . ?
Sc1 Sc4 Sc12 123.5(10) . . ?
Sc16 Sc4 Sc12 27.9(9) . . ?
Sc9 Sc4 Sc12 109.7(5) . . ?
Sc13 Sc4 Sc12 106.5(5) . . ?
Sc3 Sc4 Sc12 16.1(2) . . ?
Sc15 Sc4 Sc12 71.4(5) . . ?
Sc14 Sc4 Sc12 94.7(5) . . ?
Sc7 Sc4 Sc12 31.0(3) . . ?
Sc1 Sc4 Sc11 106.0(10) . . ?
Sc16 Sc4 Sc11 38.3(10) . . ?
Sc9 Sc4 Sc11 92.8(5) . . ?
Sc13 Sc4 Sc11 95.9(5) . . ?
Sc3 Sc4 Sc11 22.4(2) . . ?
Sc15 Sc4 Sc11 52.8(5) . . ?
Sc14 Sc4 Sc11 77.9(5) . . ?
Sc7 Sc4 Sc11 19.6(2) . . ?
Sc12 Sc4 Sc11 18.88(19) . . ?
Sc1 Sc4 Sc5 114.8(10) . . ?
Sc16 Sc4 Sc5 43.6(9) . . ?
Sc9 Sc4 Sc5 100.6(6) . . ?
Sc13 Sc4 Sc5 92.0(6) . . ?
Sc3 Sc4 Sc5 32.0(4) . . ?
Sc15 Sc4 Sc5 73.5(6) . . ?
Sc14 Sc4 Sc5 86.1(5) . . ?
Sc7 Sc4 Sc5 41.9(4) . . ?
Sc12 Sc4 Sc5 16.2(3) . . ?
Sc11 Sc4 Sc5 23.7(4) . . ?
Sc1 Sc4 Sc10 66.3(9) . . ?
Sc16 Sc4 Sc10 99.0(10) . . ?
Sc9 Sc4 Sc10 54.1(5) . . ?
Sc13 Sc4 Sc10 36.2(4) . . ?
Sc3 Sc4 Sc10 84.7(4) . . ?
Sc15 Sc4 Sc10 71.1(6) . . ?
Sc14 Sc4 Sc10 45.2(5) . . ?
Sc7 Sc4 Sc10 81.2(4) . . ?
Sc12 Sc4 Sc10 71.2(4) . . ?
Sc11 Sc4 Sc10 64.7(3) . . ?
Sc5 Sc4 Sc10 56.0(4) . . ?
Sc12 Sc5 Sc11 51.4(10) . . ?
Sc12 Sc5 Sc3 11.5(5) . . ?
Sc11 Sc5 Sc3 49.3(7) . . ?
Sc12 Sc5 Sc2 134.7(10) . . ?
Sc11 Sc5 Sc2 110.6(9) . . ?
Sc3 Sc5 Sc2 123.3(7) . . ?
Sc12 Sc5 Sc7 30.0(8) . . ?
Sc11 Sc5 Sc7 27.9(5) . . ?
Sc3 Sc5 Sc7 23.5(4) . . ?
Sc2 Sc5 Sc7 113.1(6) . . ?
Sc12 Sc5 Sc16 26.7(8) . . ?
Sc11 Sc5 Sc16 64.0(10) . . ?
Sc3 Sc5 Sc16 18.4(6) . . ?
Sc2 Sc5 Sc16 110.4(7) . . ?
Sc7 Sc5 Sc16 36.1(7) . . ?
Sc12 Sc5 Sc6 120.8(9) . . ?
Sc11 Sc5 Sc6 107.5(7) . . ?
Sc3 Sc5 Sc6 109.5(6) . . ?
Sc2 Sc5 Sc6 15.2(2) . . ?
Sc7 Sc5 Sc6 103.1(5) . . ?
Sc16 Sc5 Sc6 95.5(6) . . ?
Sc12 Sc5 Sc8 117.4(10) . . ?
Sc11 Sc5 Sc8 87.0(7) . . ?
Sc3 Sc5 Sc8 106.2(6) . . ?
Sc2 Sc5 Sc8 23.7(3) . . ?
Sc7 Sc5 Sc8 91.3(5) . . ?
Sc16 Sc5 Sc8 98.6(6) . . ?
Sc6 Sc5 Sc8 24.4(3) . . ?
Sc12 Sc5 Sc10 112.4(9) . . ?
Sc11 Sc5 Sc10 95.6(7) . . ?
Sc3 Sc5 Sc10 101.0(6) . . ?
Sc2 Sc5 Sc10 22.4(3) . . ?
Sc7 Sc5 Sc10 92.0(5) . . ?
Sc16 Sc5 Sc10 89.1(6) . . ?
Sc6 Sc5 Sc10 12.0(2) . . ?
Sc8 Sc5 Sc10 17.1(3) . . ?
Sc12 Sc5 Sc4 50.6(8) . . ?
Sc11 Sc5 Sc4 73.2(7) . . ?
Sc3 Sc5 Sc4 40.4(4) . . ?
Sc2 Sc5 Sc4 85.9(5) . . ?
Sc7 Sc5 Sc4 47.8(4) . . ?
Sc16 Sc5 Sc4 24.5(6) . . ?
Sc6 Sc5 Sc4 71.0(4) . . ?
Sc8 Sc5 Sc4 76.3(4) . . ?
Sc10 Sc5 Sc4 65.0(5) . . ?
Sc12 Sc5 Sc15 54.7(9) . . ?
Sc11 Sc5 Sc15 40.1(5) . . ?
Sc3 Sc5 Sc15 44.4(5) . . ?
Sc2 Sc5 Sc15 84.6(5) . . ?
Sc7 Sc5 Sc15 28.6(4) . . ?
Sc16 Sc5 Sc15 45.2(7) . . ?
Sc6 Sc5 Sc15 75.0(4) . . ?
Sc8 Sc5 Sc15 63.4(4) . . ?
Sc10 Sc5 Sc15 63.5(4) . . ?
Sc4 Sc5 Sc15 39.1(4) . . ?
Sc10 Sc6 Sc2 124.2(18) . . ?
Sc10 Sc6 Sc8 52.2(14) . . ?
Sc2 Sc6 Sc8 73.6(8) . . ?
Sc10 Sc6 Sc13 51.4(13) . . ?
Sc2 Sc6 Sc13 122.6(5) . . ?
Sc8 Sc6 Sc13 87.5(7) . . ?
Sc10 Sc6 Sc5 117.8(11) . . ?
Sc2 Sc6 Sc5 33.4(5) . . ?
Sc8 Sc6 Sc5 83.3(8) . . ?
Sc13 Sc6 Sc5 92.1(5) . . ?
Sc10 Sc6 Sc14 39.0(10) . . ?
Sc2 Sc6 Sc14 108.2(6) . . ?
Sc8 Sc6 Sc14 62.9(6) . . ?
Sc13 Sc6 Sc14 24.9(4) . . ?
Sc5 Sc6 Sc14 85.5(5) . . ?
Sc10 Sc6 Sc9 52.0(11) . . ?
Sc2 Sc6 Sc9 109.6(4) . . ?
Sc8 Sc6 Sc9 77.8(5) . . ?
Sc13 Sc6 Sc9 13.9(3) . . ?
Sc5 Sc6 Sc9 81.0(4) . . ?
Sc14 Sc6 Sc9 16.0(3) . . ?
Sc10 Sc6 Sc12 107.6(10) . . ?
Sc2 Sc6 Sc12 47.4(4) . . ?
Sc8 Sc6 Sc12 83.3(6) . . ?
Sc13 Sc6 Sc12 77.4(3) . . ?
Sc5 Sc6 Sc12 14.7(4) . . ?
Sc14 Sc6 Sc12 72.4(3) . . ?
Sc9 Sc6 Sc12 66.6(2) . . ?
Sc10 Sc6 Sc11 96.1(11) . . ?
Sc2 Sc6 Sc11 43.6(3) . . ?
Sc8 Sc6 Sc11 65.5(6) . . ?
Sc13 Sc6 Sc11 79.1(3) . . ?
Sc5 Sc6 Sc11 21.8(4) . . ?
Sc14 Sc6 Sc11 66.6(3) . . ?
Sc9 Sc6 Sc11 66.01(18) . . ?
Sc12 Sc6 Sc11 17.82(16) . . ?
Sc10 Sc6 Sc1 65.8(11) . . ?
Sc2 Sc6 Sc1 103.7(4) . . ?
Sc8 Sc6 Sc1 87.6(5) . . ?
Sc13 Sc6 Sc1 20.0(3) . . ?
Sc5 Sc6 Sc1 72.2(4) . . ?
Sc14 Sc6 Sc1 29.1(4) . . ?
Sc9 Sc6 Sc1 13.86(11) . . ?
Sc12 Sc6 Sc1 57.50(19) . . ?
Sc11 Sc6 Sc1 61.01(15) . . ?
Sc10 Sc6 Sc4 79.2(11) . . ?
Sc2 Sc6 Sc4 94.3(5) . . ?
Sc8 Sc6 Sc4 94.3(5) . . ?
Sc13 Sc6 Sc4 32.6(4) . . ?
Sc5 Sc6 Sc4 61.4(5) . . ?
Sc14 Sc6 Sc4 41.4(4) . . ?
Sc9 Sc6 Sc4 27.2(3) . . ?
Sc12 Sc6 Sc4 47.0(3) . . ?
Sc11 Sc6 Sc4 54.2(3) . . ?
Sc1 Sc6 Sc4 13.6(2) . . ?
Sc3 Sc7 Sc11 82.1(8) . . ?
Sc3 Sc7 Sc12 35.8(7) . . ?
Sc11 Sc7 Sc12 46.3(5) . . ?
Sc3 Sc7 Sc16 36.8(10) . . ?
Sc11 Sc7 Sc16 112.4(11) . . ?
Sc12 Sc7 Sc16 68.3(10) . . ?
Sc3 Sc7 Sc15 127.4(9) . . ?
Sc11 Sc7 Sc15 113.6(8) . . ?
Sc12 Sc7 Sc15 130.8(6) . . ?
Sc16 Sc7 Sc15 94.8(10) . . ?
Sc3 Sc7 Sc5 54.4(9) . . ?
Sc11 Sc7 Sc5 31.3(6) . . ?
Sc12 Sc7 Sc5 20.5(5) . . ?
Sc16 Sc7 Sc5 81.2(10) . . ?
Sc15 Sc7 Sc5 116.1(6) . . ?
Sc3 Sc7 Sc4 66.5(7) . . ?
Sc11 Sc7 Sc4 117.3(5) . . ?
Sc12 Sc7 Sc4 87.3(6) . . ?
Sc16 Sc7 Sc4 33.9(9) . . ?
Sc15 Sc7 Sc4 61.7(7) . . ?
Sc5 Sc7 Sc4 90.3(6) . . ?
Sc3 Sc7 Sc1 82.4(7) . . ?
Sc11 Sc7 Sc1 117.1(4) . . ?
Sc12 Sc7 Sc1 98.1(5) . . ?
Sc16 Sc7 Sc1 50.6(8) . . ?
Sc15 Sc7 Sc1 45.3(6) . . ?
Sc5 Sc7 Sc1 95.9(4) . . ?
Sc4 Sc7 Sc1 16.7(4) . . ?
Sc3 Sc7 Sc9 94.9(6) . . ?
Sc11 Sc7 Sc9 109.8(4) . . ?
Sc12 Sc7 Sc9 103.2(4) . . ?
Sc16 Sc7 Sc9 65.8(8) . . ?
Sc15 Sc7 Sc9 32.7(6) . . ?
Sc5 Sc7 Sc9 95.6(4) . . ?
Sc4 Sc7 Sc9 32.0(4) . . ?
Sc1 Sc7 Sc9 15.74(13) . . ?
Sc3 Sc7 Sc14 106.6(6) . . ?
Sc11 Sc7 Sc14 99.1(5) . . ?
Sc12 Sc7 Sc14 105.5(4) . . ?
Sc16 Sc7 Sc14 81.4(9) . . ?
Sc15 Sc7 Sc14 25.4(6) . . ?
Sc5 Sc7 Sc14 92.7(4) . . ?
Sc4 Sc7 Sc14 48.1(5) . . ?
Sc1 Sc7 Sc14 32.4(4) . . ?
Sc9 Sc7 Sc14 16.7(3) . . ?
Sc3 Sc7 Sc13 85.8(6) . . ?
Sc11 Sc7 Sc13 97.8(4) . . ?
Sc12 Sc7 Sc13 89.5(4) . . ?
Sc16 Sc7 Sc13 62.4(8) . . ?
Sc15 Sc7 Sc13 44.0(6) . . ?
Sc5 Sc7 Sc13 81.4(4) . . ?
Sc4 Sc7 Sc13 31.6(4) . . ?
Sc1 Sc7 Sc13 20.5(2) . . ?
Sc9 Sc7 Sc13 14.17(19) . . ?
Sc14 Sc7 Sc13 20.8(4) . . ?
Sc3 Sc7 Sc2 74.2(6) . . ?
Sc11 Sc7 Sc2 43.8(3) . . ?
Sc12 Sc7 Sc2 49.6(3) . . ?
Sc16 Sc7 Sc2 84.3(8) . . ?
Sc15 Sc7 Sc2 84.2(5) . . ?
Sc5 Sc7 Sc2 31.9(4) . . ?
Sc4 Sc7 Sc2 75.2(3) . . ?
Sc1 Sc7 Sc2 73.31(15) . . ?
Sc9 Sc7 Sc2 67.76(17) . . ?
Sc14 Sc7 Sc2 61.5(3) . . ?
Sc13 Sc7 Sc2 54.6(2) . . ?
Sc10 Sc8 Sc6 38.6(9) . . ?
Sc10 Sc8 Sc2 82.8(11) . . ?
Sc6 Sc8 Sc2 44.9(6) . . ?
Sc10 Sc8 Sc14 67.0(10) . . ?
Sc6 Sc8 Sc14 93.7(7) . . ?
Sc2 Sc8 Sc14 114.2(5) . . ?
Sc10 Sc8 Sc5 99.8(11) . . ?
Sc6 Sc8 Sc5 72.3(8) . . ?
Sc2 Sc8 Sc5 38.6(5) . . ?
Sc14 Sc8 Sc5 89.5(5) . . ?
Sc10 Sc8 Sc13 42.7(8) . . ?
Sc6 Sc8 Sc13 67.5(6) . . ?
Sc2 Sc8 Sc13 96.0(5) . . ?
Sc14 Sc8 Sc13 26.4(5) . . ?
Sc5 Sc8 Sc13 85.4(4) . . ?
Sc10 Sc8 Sc11 111.4(8) . . ?
Sc6 Sc8 Sc11 93.9(6) . . ?
Sc2 Sc8 Sc11 63.8(4) . . ?
Sc14 Sc8 Sc11 74.9(4) . . ?
Sc5 Sc8 Sc11 25.3(4) . . ?
Sc13 Sc8 Sc11 81.5(3) . . ?
Sc10 Sc8 Sc9 59.2(8) . . ?
Sc6 Sc8 Sc9 80.8(5) . . ?
Sc2 Sc8 Sc9 100.5(4) . . ?
Sc14 Sc8 Sc9 14.2(4) . . ?
Sc5 Sc8 Sc9 79.9(4) . . ?
Sc13 Sc8 Sc9 16.5(3) . . ?
Sc11 Sc8 Sc9 70.0(2) . . ?
Sc10 Sc8 Sc15 90.6(8) . . ?
Sc6 Sc8 Sc15 103.2(5) . . ?
Sc2 Sc8 Sc15 100.7(4) . . ?
Sc14 Sc8 Sc15 30.3(5) . . ?
Sc5 Sc8 Sc15 66.1(5) . . ?
Sc13 Sc8 Sc15 48.2(4) . . ?
Sc11 Sc8 Sc15 46.4(3) . . ?
Sc9 Sc8 Sc15 31.9(3) . . ?
Sc10 Sc8 Sc12 96.2(9) . . ?
Sc6 Sc8 Sc12 76.6(6) . . ?
Sc2 Sc8 Sc12 51.1(3) . . ?
Sc14 Sc8 Sc12 75.0(4) . . ?
Sc5 Sc8 Sc12 14.8(3) . . ?
Sc13 Sc8 Sc12 73.6(3) . . ?
Sc11 Sc8 Sc12 17.43(16) . . ?
Sc9 Sc8 Sc12 66.1(2) . . ?
Sc15 Sc8 Sc12 51.5(3) . . ?
Sc10 Sc8 Sc1 58.8(7) . . ?
Sc6 Sc8 Sc1 73.1(4) . . ?
Sc2 Sc8 Sc1 88.3(4) . . ?
Sc14 Sc8 Sc1 26.0(4) . . ?
Sc5 Sc8 Sc1 68.6(4) . . ?
Sc13 Sc8 Sc1 19.7(2) . . ?
Sc11 Sc8 Sc1 61.92(16) . . ?
Sc9 Sc8 Sc1 12.36(10) . . ?
Sc15 Sc8 Sc1 32.7(3) . . ?
Sc12 Sc8 Sc1 55.46(19) . . ?
Sc10 Sc8 Sc7 99.3(7) . . ?
Sc6 Sc8 Sc7 92.5(5) . . ?
Sc2 Sc8 Sc7 73.8(4) . . ?
Sc14 Sc8 Sc7 57.0(4) . . ?
Sc5 Sc8 Sc7 36.9(4) . . ?
Sc13 Sc8 Sc7 64.5(3) . . ?
Sc11 Sc8 Sc7 18.10(15) . . ?
Sc9 Sc8 Sc7 52.04(18) . . ?
Sc15 Sc8 Sc7 29.6(3) . . ?
Sc12 Sc8 Sc7 22.84(18) . . ?
Sc1 Sc8 Sc7 44.85(15) . . ?
Sc1 Sc9 Sc14 150.9(10) . . ?
Sc1 Sc9 Sc13 98.0(9) . . ?
Sc14 Sc9 Sc13 86.5(14) . . ?
Sc1 Sc9 Sc4 14.1(4) . . ?
Sc14 Sc9 Sc4 137.5(9) . . ?
Sc13 Sc9 Sc4 94.6(9) . . ?
Sc1 Sc9 Sc15 89.1(8) . . ?
Sc14 Sc9 Sc15 68.2(12) . . ?
Sc13 Sc9 Sc15 134.5(7) . . ?
Sc4 Sc9 Sc15 81.7(7) . . ?
Sc1 Sc9 Sc16 36.6(6) . . ?
Sc14 Sc9 Sc16 114.4(10) . . ?
Sc13 Sc9 Sc16 103.3(8) . . ?
Sc4 Sc9 Sc16 24.4(7) . . ?
Sc15 Sc9 Sc16 59.3(7) . . ?
Sc1 Sc9 Sc10 110.0(5) . . ?
Sc14 Sc9 Sc10 56.4(10) . . ?
Sc13 Sc9 Sc10 41.4(6) . . ?
Sc4 Sc9 Sc10 98.4(5) . . ?
Sc15 Sc9 Sc10 93.9(5) . . ?
Sc16 Sc9 Sc10 90.0(5) . . ?
Sc1 Sc9 Sc7 63.9(4) . . ?
Sc14 Sc9 Sc7 88.0(10) . . ?
Sc13 Sc9 Sc7 114.0(5) . . ?
Sc4 Sc9 Sc7 52.8(5) . . ?
Sc15 Sc9 Sc7 33.0(5) . . ?
Sc16 Sc9 Sc7 28.5(5) . . ?
Sc10 Sc9 Sc7 83.5(3) . . ?
Sc1 Sc9 Sc8 112.5(4) . . ?
Sc14 Sc9 Sc8 46.7(8) . . ?
Sc13 Sc9 Sc8 58.0(6) . . ?
Sc4 Sc9 Sc8 99.1(4) . . ?
Sc15 Sc9 Sc8 77.7(5) . . ?
Sc16 Sc9 Sc8 84.5(5) . . ?
Sc10 Sc9 Sc8 16.6(3) . . ?
Sc7 Sc9 Sc8 71.5(2) . . ?
Sc1 Sc9 Sc3 51.7(3) . . ?
Sc14 Sc9 Sc3 99.3(9) . . ?
Sc13 Sc9 Sc3 103.2(6) . . ?
Sc4 Sc9 Sc3 39.1(4) . . ?
Sc15 Sc9 Sc3 48.9(5) . . ?
Sc16 Sc9 Sc3 15.1(5) . . ?
Sc10 Sc9 Sc3 80.7(3) . . ?
Sc7 Sc9 Sc3 15.96(16) . . ?
Sc8 Sc9 Sc3 72.4(2) . . ?
Sc1 Sc9 Sc6 98.1(5) . . ?
Sc14 Sc9 Sc6 66.5(9) . . ?
Sc13 Sc9 Sc6 41.8(5) . . ?
Sc4 Sc9 Sc6 86.5(5) . . ?
Sc15 Sc9 Sc6 92.8(5) . . ?
Sc16 Sc9 Sc6 79.2(5) . . ?
Sc10 Sc9 Sc6 11.9(3) . . ?
Sc7 Sc9 Sc6 76.5(2) . . ?
Sc8 Sc9 Sc6 21.3(2) . . ?
Sc3 Sc9 Sc6 71.4(2) . . ?
Sc1 Sc9 Sc11 73.9(3) . . ?
Sc14 Sc9 Sc11 77.0(8) . . ?
Sc13 Sc9 Sc11 98.6(5) . . ?
Sc4 Sc9 Sc11 60.7(4) . . ?
Sc15 Sc9 Sc11 40.6(4) . . ?
Sc16 Sc9 Sc11 37.5(5) . . ?
Sc10 Sc9 Sc11 65.5(3) . . ?
Sc7 Sc9 Sc11 18.09(15) . . ?
Sc8 Sc9 Sc11 53.6(2) . . ?
Sc3 Sc9 Sc11 22.50(17) . . ?
Sc6 Sc9 Sc11 59.1(2) . . ?
Sc6 Sc10 Sc8 89.2(19) . . ?
Sc6 Sc10 Sc2 31.7(11) . . ?
Sc8 Sc10 Sc2 58.9(10) . . ?
Sc6 Sc10 Sc13 113.5(15) . . ?
Sc8 Sc10 Sc13 120.6(10) . . ?
Sc2 Sc10 Sc13 118.6(6) . . ?
Sc6 Sc10 Sc14 130.1(12) . . ?
Sc8 Sc10 Sc14 92.4(10) . . ?
Sc2 Sc10 Sc14 116.8(6) . . ?
Sc13 Sc10 Sc14 30.8(6) . . ?
Sc6 Sc10 Sc9 116.0(13) . . ?
Sc8 Sc10 Sc9 104.2(8) . . ?
Sc2 Sc10 Sc9 111.5(5) . . ?
Sc13 Sc10 Sc9 16.3(3) . . ?
Sc14 Sc10 Sc9 17.8(4) . . ?
Sc6 Sc10 Sc5 50.2(10) . . ?
Sc8 Sc10 Sc5 63.2(10) . . ?
Sc2 Sc10 Sc5 30.6(4) . . ?
Sc13 Sc10 Sc5 89.7(5) . . ?
Sc14 Sc10 Sc5 86.9(5) . . ?
Sc9 Sc10 Sc5 80.9(4) . . ?
Sc6 Sc10 Sc1 102.0(12) . . ?
Sc8 Sc10 Sc1 106.7(7) . . ?
Sc2 Sc10 Sc1 100.5(5) . . ?
Sc13 Sc10 Sc1 19.3(3) . . ?
Sc14 Sc10 Sc1 30.8(4) . . ?
Sc9 Sc10 Sc1 14.11(13) . . ?
Sc5 Sc10 Sc1 70.7(4) . . ?
Sc6 Sc10 Sc15 109.5(11) . . ?
Sc8 Sc10 Sc15 73.6(7) . . ?
Sc2 Sc10 Sc15 90.4(5) . . ?
Sc13 Sc10 Sc15 47.3(5) . . ?
Sc14 Sc10 Sc15 26.8(4) . . ?
Sc9 Sc10 Sc15 31.2(3) . . ?
Sc5 Sc10 Sc15 61.5(5) . . ?
Sc1 Sc10 Sc15 34.1(3) . . ?
Sc6 Sc10 Sc4 88.6(12) . . ?
Sc8 Sc10 Sc4 104.2(7) . . ?
Sc2 Sc10 Sc4 87.7(5) . . ?
Sc13 Sc10 Sc4 30.9(4) . . ?
Sc14 Sc10 Sc4 42.8(5) . . ?
Sc9 Sc10 Sc4 27.4(3) . . ?
Sc5 Sc10 Sc4 58.9(4) . . ?
Sc1 Sc10 Sc4 13.6(2) . . ?
Sc15 Sc10 Sc4 37.7(4) . . ?
Sc6 Sc10 Sc11 71.9(11) . . ?
Sc8 Sc10 Sc11 54.3(7) . . ?
Sc2 Sc10 Sc11 48.1(3) . . ?
Sc13 Sc10 Sc11 80.6(4) . . ?
Sc14 Sc10 Sc11 69.0(4) . . ?
Sc9 Sc10 Sc11 67.8(2) . . ?
Sc5 Sc10 Sc11 21.8(4) . . ?
Sc1 Sc10 Sc11 61.55(19) . . ?
Sc15 Sc10 Sc11 42.4(3) . . ?
Sc4 Sc10 Sc11 53.5(3) . . ?
Sc6 Sc10 Sc12 61.2(10) . . ?
Sc8 Sc10 Sc12 69.0(8) . . ?
Sc2 Sc10 Sc12 45.1(3) . . ?
Sc13 Sc10 Sc12 75.7(4) . . ?
Sc14 Sc10 Sc12 73.0(4) . . ?
Sc9 Sc10 Sc12 66.4(2) . . ?
Sc5 Sc10 Sc12 14.5(3) . . ?
Sc1 Sc10 Sc12 56.5(2) . . ?
Sc15 Sc10 Sc12 48.6(3) . . ?
Sc4 Sc10 Sc12 45.3(3) . . ?
Sc11 Sc10 Sc12 16.60(15) . . ?
Sc12 Sc11 Sc7 78.3(7) . . ?
Sc12 Sc11 Sc5 47.8(9) . . ?
Sc7 Sc11 Sc5 120.8(10) . . ?
Sc12 Sc11 Sc3 38.8(5) . . ?
Sc7 Sc11 Sc3 39.6(5) . . ?
Sc5 Sc11 Sc3 84.3(10) . . ?
Sc12 Sc11 Sc16 43.4(8) . . ?
Sc7 Sc11 Sc16 37.5(8) . . ?
Sc5 Sc11 Sc16 83.3(11) . . ?
Sc3 Sc11 Sc16 13.4(5) . . ?
Sc12 Sc11 Sc15 102.2(7) . . ?
Sc7 Sc11 Sc15 40.9(6) . . ?
Sc5 Sc11 Sc15 120.2(7) . . ?
Sc3 Sc11 Sc15 70.8(6) . . ?
Sc16 Sc11 Sc15 60.8(7) . . ?
Sc12 Sc11 Sc2 80.9(6) . . ?
Sc7 Sc11 Sc2 119.0(3) . . ?
Sc5 Sc11 Sc2 42.9(6) . . ?
Sc3 Sc11 Sc2 103.4(4) . . ?
Sc16 Sc11 Sc2 94.1(6) . . ?
Sc15 Sc11 Sc2 90.8(4) . . ?
Sc12 Sc11 Sc8 100.3(5) . . ?
Sc7 Sc11 Sc8 108.1(4) . . ?
Sc5 Sc11 Sc8 67.7(7) . . ?
Sc3 Sc11 Sc8 110.1(3) . . ?
Sc16 Sc11 Sc8 97.6(5) . . ?
Sc15 Sc11 Sc8 71.5(4) . . ?
Sc2 Sc11 Sc8 24.89(19) . . ?
Sc12 Sc11 Sc4 58.2(5) . . ?
Sc7 Sc11 Sc4 43.1(4) . . ?
Sc5 Sc11 Sc4 83.2(8) . . ?
Sc3 Sc11 Sc4 37.7(4) . . ?
Sc16 Sc11 Sc4 24.3(6) . . ?
Sc15 Sc11 Sc4 44.6(5) . . ?
Sc2 Sc11 Sc4 77.4(3) . . ?
Sc8 Sc11 Sc4 75.0(4) . . ?
Sc12 Sc11 Sc6 79.8(5) . . ?
Sc7 Sc11 Sc6 105.5(3) . . ?
Sc5 Sc11 Sc6 50.7(6) . . ?
Sc3 Sc11 Sc6 94.9(3) . . ?
Sc16 Sc11 Sc6 84.0(5) . . ?
Sc15 Sc11 Sc6 77.7(4) . . ?
Sc2 Sc11 Sc6 13.78(13) . . ?
Sc8 Sc11 Sc6 20.5(2) . . ?
Sc4 Sc11 Sc6 65.0(3) . . ?
Sc12 Sc11 Sc1 70.7(4) . . ?
Sc7 Sc11 Sc1 45.1(3) . . ?
Sc5 Sc11 Sc1 89.1(7) . . ?
Sc3 Sc11 Sc1 49.9(3) . . ?
Sc16 Sc11 Sc1 36.7(5) . . ?
Sc15 Sc11 Sc1 33.9(4) . . ?
Sc2 Sc11 Sc1 73.83(13) . . ?
Sc8 Sc11 Sc1 66.3(2) . . ?
Sc4 Sc11 Sc1 13.2(3) . . ?
Sc6 Sc11 Sc1 60.36(15) . . ?
Sc12 Sc11 Sc14 95.4(5) . . ?
Sc7 Sc11 Sc14 61.4(4) . . ?
Sc5 Sc11 Sc14 96.6(6) . . ?
Sc3 Sc11 Sc14 77.4(4) . . ?
Sc16 Sc11 Sc14 64.4(6) . . ?
Sc15 Sc11 Sc14 26.5(5) . . ?
Sc2 Sc11 Sc14 64.4(3) . . ?
Sc8 Sc11 Sc14 47.0(3) . . ?
Sc4 Sc11 Sc14 40.9(4) . . ?
Sc6 Sc11 Sc14 51.2(3) . . ?
Sc1 Sc11 Sc14 27.8(3) . . ?
Sc3 Sc12 Sc5 155.3(10) . . ?
Sc3 Sc12 Sc11 92.2(10) . . ?
Sc5 Sc12 Sc11 80.8(14) . . ?
Sc3 Sc12 Sc7 36.9(7) . . ?
Sc5 Sc12 Sc7 129.5(13) . . ?
Sc11 Sc12 Sc7 55.4(6) . . ?
Sc3 Sc12 Sc16 25.9(10) . . ?
Sc5 Sc12 Sc16 137.2(12) . . ?
Sc11 Sc12 Sc16 110.1(11) . . ?
Sc7 Sc12 Sc16 56.9(10) . . ?
Sc3 Sc12 Sc4 45.1(6) . . ?
Sc5 Sc12 Sc4 113.2(9) . . ?
Sc11 Sc12 Sc4 102.9(6) . . ?
Sc7 Sc12 Sc4 61.7(5) . . ?
Sc16 Sc12 Sc4 25.1(7) . . ?
Sc3 Sc12 Sc2 124.7(5) . . ?
Sc5 Sc12 Sc2 30.7(7) . . ?
Sc11 Sc12 Sc2 77.5(5) . . ?
Sc7 Sc12 Sc2 107.8(4) . . ?
Sc16 Sc12 Sc2 109.0(7) . . ?
Sc4 Sc12 Sc2 84.0(4) . . ?
Sc3 Sc12 Sc15 48.8(7) . . ?
Sc5 Sc12 Sc15 109.2(10) . . ?
Sc11 Sc12 Sc15 57.4(6) . . ?
Sc7 Sc12 Sc15 27.8(4) . . ?
Sc16 Sc12 Sc15 55.1(9) . . ?
Sc4 Sc12 Sc15 46.1(5) . . ?
Sc2 Sc12 Sc15 82.3(4) . . ?
Sc3 Sc12 Sc1 49.1(4) . . ?
Sc5 Sc12 Sc1 107.1(8) . . ?
Sc11 Sc12 Sc1 91.7(5) . . ?
Sc7 Sc12 Sc1 56.6(4) . . ?
Sc16 Sc12 Sc1 34.6(7) . . ?
Sc4 Sc12 Sc1 12.1(3) . . ?
Sc2 Sc12 Sc1 76.67(15) . . ?
Sc15 Sc12 Sc1 36.4(4) . . ?
Sc3 Sc12 Sc6 111.2(5) . . ?
Sc5 Sc12 Sc6 44.6(7) . . ?
Sc11 Sc12 Sc6 82.4(5) . . ?
Sc7 Sc12 Sc6 100.4(3) . . ?
Sc16 Sc12 Sc6 94.5(7) . . ?
Sc4 Sc12 Sc6 69.5(4) . . ?
Sc2 Sc12 Sc6 14.56(13) . . ?
Sc15 Sc12 Sc6 73.2(4) . . ?
Sc1 Sc12 Sc6 62.54(17) . . ?
Sc3 Sc12 Sc8 108.1(6) . . ?
Sc5 Sc12 Sc8 47.8(8) . . ?
Sc11 Sc12 Sc8 62.3(4) . . ?
Sc7 Sc12 Sc8 86.8(4) . . ?
Sc16 Sc12 Sc8 99.4(7) . . ?
Sc4 Sc12 Sc8 74.9(4) . . ?
Sc2 Sc12 Sc8 21.13(16) . . ?
Sc15 Sc12 Sc8 62.2(4) . . ?
Sc1 Sc12 Sc8 64.8(2) . . ?
Sc6 Sc12 Sc8 20.1(2) . . ?
Sc3 Sc12 Sc9 56.5(4) . . ?
Sc5 Sc12 Sc9 98.9(7) . . ?
Sc11 Sc12 Sc9 80.8(4) . . ?
Sc7 Sc12 Sc9 54.4(3) . . ?
Sc16 Sc12 Sc9 46.3(7) . . ?
Sc4 Sc12 Sc9 24.8(3) . . ?
Sc2 Sc12 Sc9 68.15(17) . . ?
Sc15 Sc12 Sc9 29.5(4) . . ?
Sc1 Sc12 Sc9 12.66(10) . . ?
Sc6 Sc12 Sc9 54.92(19) . . ?
Sc8 Sc12 Sc9 53.8(2) . . ?
Sc9 Sc13 Sc14 45.3(10) . . ?
Sc9 Sc13 Sc1 38.0(6) . . ?
Sc14 Sc13 Sc1 80.2(12) . . ?
Sc9 Sc13 Sc4 56.3(8) . . ?
Sc14 Sc13 Sc4 92.6(11) . . ?
Sc1 Sc13 Sc4 20.8(5) . . ?
Sc9 Sc13 Sc10 122.2(8) . . ?
Sc14 Sc13 Sc10 85.0(9) . . ?
Sc1 Sc13 Sc10 127.5(5) . . ?
Sc4 Sc13 Sc10 112.8(6) . . ?
Sc9 Sc13 Sc15 30.2(5) . . ?
Sc14 Sc13 Sc15 35.4(9) . . ?
Sc1 Sc13 Sc15 49.8(6) . . ?
Sc4 Sc13 Sc15 57.9(6) . . ?
Sc10 Sc13 Sc15 92.8(6) . . ?
Sc9 Sc13 Sc6 124.3(7) . . ?
Sc14 Sc13 Sc6 94.8(8) . . ?
Sc1 Sc13 Sc6 118.2(5) . . ?
Sc4 Sc13 Sc6 100.8(5) . . ?
Sc10 Sc13 Sc6 15.2(4) . . ?
Sc15 Sc13 Sc6 94.2(4) . . ?
Sc9 Sc13 Sc8 105.5(7) . . ?
Sc14 Sc13 Sc8 70.1(8) . . ?
Sc1 Sc13 Sc8 115.4(5) . . ?
Sc4 Sc13 Sc8 104.9(5) . . ?
Sc10 Sc13 Sc8 16.7(3) . . ?
Sc15 Sc13 Sc8 76.3(5) . . ?
Sc6 Sc13 Sc8 25.0(3) . . ?
Sc9 Sc13 Sc16 59.6(7) . . ?
Sc14 Sc13 Sc16 84.0(10) . . ?
Sc1 Sc13 Sc16 34.6(5) . . ?
Sc4 Sc13 Sc16 19.8(5) . . ?
Sc10 Sc13 Sc16 94.2(6) . . ?
Sc15 Sc13 Sc16 49.0(6) . . ?
Sc6 Sc13 Sc16 83.7(5) . . ?
Sc8 Sc13 Sc16 85.2(5) . . ?
Sc9 Sc13 Sc2 110.8(6) . . ?
Sc14 Sc13 Sc2 87.5(7) . . ?
Sc1 Sc13 Sc2 104.6(4) . . ?
Sc4 Sc13 Sc2 88.7(4) . . ?
Sc10 Sc13 Sc2 24.2(3) . . ?
Sc15 Sc13 Sc2 81.0(4) . . ?
Sc6 Sc13 Sc2 14.50(18) . . ?
Sc8 Sc13 Sc2 23.7(2) . . ?
Sc16 Sc13 Sc2 70.5(4) . . ?
Sc9 Sc13 Sc7 51.9(5) . . ?
Sc14 Sc13 Sc7 61.9(7) . . ?
Sc1 Sc13 Sc7 46.2(3) . . ?
Sc4 Sc13 Sc7 41.1(4) . . ?
Sc10 Sc13 Sc7 82.5(4) . . ?
Sc15 Sc13 Sc7 29.5(4) . . ?
Sc6 Sc13 Sc7 77.1(3) . . ?
Sc8 Sc13 Sc7 69.2(3) . . ?
Sc16 Sc13 Sc7 24.3(5) . . ?
Sc2 Sc13 Sc7 62.57(19) . . ?
Sc9 Sc13 Sc3 61.9(6) . . ?
Sc14 Sc13 Sc3 76.3(8) . . ?
Sc1 Sc13 Sc3 45.3(3) . . ?
Sc4 Sc13 Sc3 33.4(4) . . ?
Sc10 Sc13 Sc3 82.3(4) . . ?
Sc15 Sc13 Sc3 43.5(4) . . ?
Sc6 Sc13 Sc3 73.4(3) . . ?
Sc8 Sc13 Sc3 72.0(3) . . ?
Sc16 Sc13 Sc3 13.7(4) . . ?
Sc2 Sc13 Sc3 59.4(2) . . ?
Sc7 Sc13 Sc3 14.44(14) . . ?
Sc9 Sc14 Sc13 48.2(11) . . ?
Sc9 Sc14 Sc1 14.0(5) . . ?
Sc13 Sc14 Sc1 52.0(9) . . ?
Sc9 Sc14 Sc15 82.1(13) . . ?
Sc13 Sc14 Sc15 119.0(13) . . ?
Sc1 Sc14 Sc15 71.7(9) . . ?
Sc9 Sc14 Sc4 27.6(6) . . ?
Sc13 Sc14 Sc4 55.1(9) . . ?
Sc1 Sc14 Sc4 13.8(3) . . ?
Sc15 Sc14 Sc4 64.7(8) . . ?
Sc9 Sc14 Sc10 105.8(12) . . ?
Sc13 Sc14 Sc10 64.2(9) . . ?
Sc1 Sc14 Sc10 100.6(7) . . ?
Sc15 Sc14 Sc10 112.0(8) . . ?
Sc4 Sc14 Sc10 92.0(6) . . ?
Sc9 Sc14 Sc8 119.0(10) . . ?
Sc13 Sc14 Sc8 83.5(8) . . ?
Sc1 Sc14 Sc8 110.0(6) . . ?
Sc15 Sc14 Sc8 96.9(8) . . ?
Sc4 Sc14 Sc8 98.3(5) . . ?
Sc10 Sc14 Sc8 20.7(3) . . ?
Sc9 Sc14 Sc6 97.5(10) . . ?
Sc13 Sc14 Sc6 60.3(7) . . ?
Sc1 Sc14 Sc6 90.9(6) . . ?
Sc15 Sc14 Sc6 104.2(7) . . ?
Sc4 Sc14 Sc6 81.6(5) . . ?
Sc10 Sc14 Sc6 11.0(3) . . ?
Sc8 Sc14 Sc6 23.4(3) . . ?
Sc9 Sc14 Sc7 75.3(9) . . ?
Sc13 Sc14 Sc7 97.3(8) . . ?
Sc1 Sc14 Sc7 61.8(5) . . ?
Sc15 Sc14 Sc7 27.4(5) . . ?
Sc4 Sc14 Sc7 50.0(4) . . ?
Sc10 Sc14 Sc7 88.0(4) . . ?
Sc8 Sc14 Sc7 77.5(4) . . ?
Sc6 Sc14 Sc7 78.7(3) . . ?
Sc9 Sc14 Sc16 51.0(9) . . ?
Sc13 Sc14 Sc16 73.2(9) . . ?
Sc1 Sc14 Sc16 37.0(5) . . ?
Sc15 Sc14 Sc16 46.3(8) . . ?
Sc4 Sc14 Sc16 24.2(5) . . ?
Sc10 Sc14 Sc16 86.9(6) . . ?
Sc8 Sc14 Sc16 85.3(5) . . ?
Sc6 Sc14 Sc16 76.0(5) . . ?
Sc7 Sc14 Sc16 26.2(5) . . ?
Sc9 Sc14 Sc2 99.4(9) . . ?
Sc13 Sc14 Sc2 70.8(7) . . ?
Sc1 Sc14 Sc2 89.7(5) . . ?
Sc15 Sc14 Sc2 89.2(6) . . ?
Sc4 Sc14 Sc2 78.0(4) . . ?
Sc10 Sc14 Sc2 23.2(3) . . ?
Sc8 Sc14 Sc2 20.4(2) . . ?
Sc6 Sc14 Sc2 15.48(17) . . ?
Sc7 Sc14 Sc2 64.8(3) . . ?
Sc16 Sc14 Sc2 66.7(4) . . ?
Sc9 Sc14 Sc3 66.0(8) . . ?
Sc13 Sc14 Sc3 83.1(8) . . ?
Sc1 Sc14 Sc3 52.0(4) . . ?
Sc15 Sc14 Sc3 40.1(6) . . ?
Sc4 Sc14 Sc3 39.0(4) . . ?
Sc10 Sc14 Sc3 81.0(4) . . ?
Sc8 Sc14 Sc3 74.9(4) . . ?
Sc6 Sc14 Sc3 70.7(3) . . ?
Sc7 Sc14 Sc3 14.17(16) . . ?
Sc16 Sc14 Sc3 15.0(4) . . ?
Sc2 Sc14 Sc3 58.6(3) . . ?
Sc14 Sc15 Sc9 29.7(7) . . ?
Sc14 Sc15 Sc7 127.1(9) . . ?
Sc9 Sc15 Sc7 114.3(8) . . ?
Sc14 Sc15 Sc1 54.0(8) . . ?
Sc9 Sc15 Sc1 25.1(3) . . ?
Sc7 Sc15 Sc1 94.0(8) . . ?
Sc14 Sc15 Sc4 72.3(10) . . ?
Sc9 Sc15 Sc4 45.6(6) . . ?
Sc7 Sc15 Sc4 72.8(7) . . ?
Sc1 Sc15 Sc4 21.6(4) . . ?
Sc14 Sc15 Sc16 103.4(10) . . ?
Sc9 Sc15 Sc16 80.9(8) . . ?
Sc7 Sc15 Sc16 36.8(7) . . ?
Sc1 Sc15 Sc16 58.0(7) . . ?
Sc4 Sc15 Sc16 36.4(7) . . ?
Sc14 Sc15 Sc3 113.6(9) . . ?
Sc9 Sc15 Sc3 97.7(7) . . ?
Sc7 Sc15 Sc3 16.8(3) . . ?
Sc1 Sc15 Sc3 77.3(6) . . ?
Sc4 Sc15 Sc3 56.4(5) . . ?
Sc16 Sc15 Sc3 21.5(6) . . ?
Sc14 Sc15 Sc11 111.5(8) . . ?
Sc9 Sc15 Sc11 111.9(6) . . ?
Sc7 Sc15 Sc11 25.5(3) . . ?
Sc1 Sc15 Sc11 100.2(6) . . ?
Sc4 Sc15 Sc11 82.6(6) . . ?
Sc16 Sc15 Sc11 52.8(6) . . ?
Sc3 Sc15 Sc11 32.2(3) . . ?
Sc14 Sc15 Sc13 25.7(7) . . ?
Sc9 Sc15 Sc13 15.3(3) . . ?
Sc7 Sc15 Sc13 106.5(7) . . ?
Sc1 Sc15 Sc13 31.4(4) . . ?
Sc4 Sc15 Sc13 47.1(6) . . ?
Sc16 Sc15 Sc13 78.0(7) . . ?
Sc3 Sc15 Sc13 90.9(6) . . ?
Sc11 Sc15 Sc13 99.0(5) . . ?
Sc14 Sc15 Sc12 105.8(7) . . ?
Sc9 Sc15 Sc12 97.0(6) . . ?
Sc7 Sc15 Sc12 21.4(3) . . ?
Sc1 Sc15 Sc12 81.3(5) . . ?
Sc4 Sc15 Sc12 62.5(5) . . ?
Sc16 Sc15 Sc12 33.2(6) . . ?
Sc3 Sc15 Sc12 15.4(2) . . ?
Sc11 Sc15 Sc12 20.4(2) . . ?
Sc13 Sc15 Sc12 86.9(5) . . ?
Sc14 Sc15 Sc8 52.9(6) . . ?
Sc9 Sc15 Sc8 70.4(5) . . ?
Sc7 Sc15 Sc8 85.1(5) . . ?
Sc1 Sc15 Sc8 81.6(5) . . ?
Sc4 Sc15 Sc8 84.0(6) . . ?
Sc16 Sc15 Sc8 87.8(6) . . ?
Sc3 Sc15 Sc8 80.8(4) . . ?
Sc11 Sc15 Sc8 62.1(4) . . ?
Sc13 Sc15 Sc8 55.5(4) . . ?
Sc12 Sc15 Sc8 66.3(4) . . ?
Sc14 Sc15 Sc5 94.2(7) . . ?
Sc9 Sc15 Sc5 92.2(6) . . ?
Sc7 Sc15 Sc5 35.3(4) . . ?
Sc1 Sc15 Sc5 82.5(6) . . ?
Sc4 Sc15 Sc5 67.4(6) . . ?
Sc16 Sc15 Sc5 45.7(7) . . ?
Sc3 Sc15 Sc5 31.2(4) . . ?
Sc11 Sc15 Sc5 19.7(3) . . ?
Sc13 Sc15 Sc5 79.5(5) . . ?
Sc12 Sc15 Sc5 16.0(3) . . ?
Sc8 Sc15 Sc5 50.5(4) . . ?
Sc3 Sc16 Sc7 35.9(12) . . ?
Sc3 Sc16 Sc4 138(2) . . ?
Sc7 Sc16 Sc4 112.6(15) . . ?
Sc3 Sc16 Sc12 24.6(10) . . ?
Sc7 Sc16 Sc12 54.9(9) . . ?
Sc4 Sc16 Sc12 127.0(14) . . ?
Sc3 Sc16 Sc1 125.8(18) . . ?
Sc7 Sc16 Sc1 98.1(11) . . ?
Sc4 Sc16 Sc1 14.5(7) . . ?
Sc12 Sc16 Sc1 120.4(11) . . ?
Sc3 Sc16 Sc11 20.6(9) . . ?
Sc7 Sc16 Sc11 30.0(6) . . ?
Sc4 Sc16 Sc11 117.4(13) . . ?
Sc12 Sc16 Sc11 26.5(5) . . ?
Sc1 Sc16 Sc11 105.7(9) . . ?
Sc3 Sc16 Sc15 81.9(17) . . ?
Sc7 Sc16 Sc15 48.4(8) . . ?
Sc4 Sc16 Sc15 65.2(11) . . ?
Sc12 Sc16 Sc15 91.7(12) . . ?
Sc1 Sc16 Sc15 50.7(7) . . ?
Sc11 Sc16 Sc15 66.4(8) . . ?
Sc3 Sc16 Sc5 39.0(12) . . ?
Sc7 Sc16 Sc5 62.7(10) . . ?
Sc4 Sc16 Sc5 111.8(12) . . ?
Sc12 Sc16 Sc5 16.1(5) . . ?
Sc1 Sc16 Sc5 107.1(8) . . ?
Sc11 Sc16 Sc5 32.7(6) . . ?
Sc15 Sc16 Sc5 89.0(9) . . ?
Sc3 Sc16 Sc9 112.5(16) . . ?
Sc7 Sc16 Sc9 85.7(9) . . ?
Sc4 Sc16 Sc9 27.1(8) . . ?
Sc12 Sc16 Sc9 108.9(10) . . ?
Sc1 Sc16 Sc9 13.3(2) . . ?
Sc11 Sc16 Sc9 92.4(7) . . ?
Sc15 Sc16 Sc9 39.8(5) . . ?
Sc5 Sc16 Sc9 97.0(7) . . ?
Sc3 Sc16 Sc13 111.9(15) . . ?
Sc7 Sc16 Sc13 93.3(9) . . ?
Sc4 Sc16 Sc13 26.6(7) . . ?
Sc12 Sc16 Sc13 101.2(9) . . ?
Sc1 Sc16 Sc13 20.7(3) . . ?
Sc11 Sc16 Sc13 91.4(7) . . ?
Sc15 Sc16 Sc13 52.9(6) . . ?
Sc5 Sc16 Sc13 87.0(7) . . ?
Sc9 Sc16 Sc13 17.1(3) . . ?
Sc3 Sc16 Sc14 97.9(15) . . ?
Sc7 Sc16 Sc14 72.4(9) . . ?
Sc4 Sc16 Sc14 41.3(9) . . ?
Sc12 Sc16 Sc14 95.7(9) . . ?
Sc1 Sc16 Sc14 28.0(4) . . ?
Sc11 Sc16 Sc14 77.9(7) . . ?
Sc15 Sc16 Sc14 30.3(6) . . ?
Sc5 Sc16 Sc14 85.5(7) . . ?
Sc9 Sc16 Sc14 14.6(3) . . ?
Sc13 Sc16 Sc14 22.8(4) . . ?
Sc3 Sc16 Sc2 64.9(12) . . ?
Sc7 Sc16 Sc2 72.5(8) . . ?
Sc4 Sc16 Sc2 80.8(9) . . ?
Sc12 Sc16 Sc2 46.4(6) . . ?
Sc1 Sc16 Sc2 76.5(5) . . ?
Sc11 Sc16 Sc2 49.1(4) . . ?
Sc15 Sc16 Sc2 73.8(6) . . ?
Sc5 Sc16 Sc2 31.1(4) . . ?
Sc9 Sc16 Sc2 67.9(4) . . ?
Sc13 Sc16 Sc2 56.1(4) . . ?
Sc14 Sc16 Sc2 58.8(4) . . ?
C45 C1 C2 122.2(7) . . ?
C45 C1 C5 125.9(7) . . ?
C2 C1 C5 102.1(6) . . ?
C42 C2 C3 118.3(9) . . ?
C42 C2 C1 122.2(9) . . ?
C3 C2 C1 111.1(7) . . ?
C80 C3 C2 123.4(8) . . ?
C80 C3 C4 119.6(7) . . ?
C2 C3 C4 108.4(6) . . ?
C5 C4 C9 122.5(7) . . ?
C5 C4 C3 107.2(7) . . ?
C9 C4 C3 119.4(6) . . ?
C6 C5 C4 124.5(10) . . ?
C6 C5 C1 117.6(9) . . ?
C4 C5 C1 111.2(7) . . ?
C5 C6 C7 113.9(9) . . ?
C5 C6 C67 115.7(8) . . ?
C7 C6 C67 121.5(6) . . ?
C8 C7 C6 124.1(6) . . ?
C8 C7 C66 109.1(6) . . ?
C6 C7 C66 116.8(6) . . ?
C7 C8 C13 110.3(6) . . ?
C7 C8 C9 119.2(7) . . ?
C13 C8 C9 121.4(7) . . ?
C10 C9 C4 119.2(7) . . ?
C10 C9 C8 117.1(8) . . ?
C4 C9 C8 115.5(6) . . ?
C9 C10 C68 122.0(9) . . ?
C9 C10 C11 120.3(8) . . ?
C68 C10 C11 109.1(7) . . ?
C12 C11 C70 121.4(8) . . ?
C12 C11 C10 122.9(7) . . ?
C70 C11 C10 106.7(7) . . ?
C11 C12 C13 118.1(9) . . ?
C11 C12 C17 119.9(7) . . ?
C13 C12 C17 114.5(8) . . ?
C12 C13 C8 120.0(8) . . ?
C12 C13 C14 123.9(8) . . ?
C8 C13 C14 107.7(6) . . ?
C15 C14 C13 120.9(7) . . ?
C15 C14 C66 120.5(7) . . ?
C13 C14 C66 108.2(6) . . ?
C59 C15 C14 119.8(9) . . ?
C59 C15 C16 116.2(8) . . ?
C14 C15 C16 117.4(7) . . ?
C20 C16 C15 120.7(8) . . ?
C20 C16 C17 109.3(7) . . ?
C15 C16 C17 117.8(7) . . ?
C18 C17 C12 118.4(8) . . ?
C18 C17 C16 107.8(7) . . ?
C12 C17 C16 125.1(7) . . ?
C17 C18 C19 109.0(7) . . ?
C17 C18 C71 121.9(7) . . ?
C19 C18 C71 120.1(7) . . ?
C18 C19 C24 125.5(8) . . ?
C18 C19 C20 109.5(7) . . ?
C24 C19 C20 115.7(9) . . ?
C16 C20 C19 104.3(7) . . ?
C16 C20 C21 120.5(8) . . ?
C19 C20 C21 125.2(9) . . ?
C22 C21 C58 121.1(11) . . ?
C22 C21 C20 114.4(9) . . ?
C58 C21 C20 116.3(7) . . ?
C21 C22 C55 118.1(10) . . ?
C21 C22 C23 122.4(10) . . ?
C55 C22 C23 109.5(7) . . ?
C24 C23 C28 123.3(8) . . ?
C24 C23 C22 120.3(8) . . ?
C28 C23 C22 103.7(7) . . ?
C23 C24 C25 121.4(10) . . ?
C23 C24 C19 121.6(9) . . ?
C25 C24 C19 109.6(9) . . ?
C24 C25 C72 129.0(9) . . ?
C24 C25 C26 114.0(9) . . ?
C72 C25 C26 109.1(6) . . ?
C78 C26 C27 116.7(7) . . ?
C78 C26 C25 106.6(6) . . ?
C27 C26 C25 126.6(7) . . ?
C28 C27 C26 113.8(9) . . ?
C28 C27 C32 117.0(10) . . ?
C26 C27 C32 120.9(7) . . ?
C27 C28 C29 119.8(11) . . ?
C27 C28 C23 120.2(10) . . ?
C29 C28 C23 111.2(7) . . ?
C30 C29 C28 124.5(8) . . ?
C30 C29 C55 120.5(7) . . ?
C28 C29 C55 106.6(8) . . ?
C54 C30 C29 119.8(9) . . ?
C54 C30 C31 116.8(9) . . ?
C29 C30 C31 115.4(8) . . ?
C32 C31 C35 110.9(8) . . ?
C32 C31 C30 118.1(8) . . ?
C35 C31 C30 121.7(8) . . ?
C31 C32 C27 125.1(8) . . ?
C31 C32 C33 109.5(7) . . ?
C27 C32 C33 116.1(7) . . ?
C77 C33 C32 124.5(8) . . ?
C77 C33 C34 122.3(7) . . ?
C32 C33 C34 104.4(6) . . ?
C35 C34 C39 122.0(8) . . ?
C35 C34 C33 108.3(7) . . ?
C39 C34 C33 120.1(7) . . ?
C36 C35 C31 118.1(9) . . ?
C36 C35 C34 125.2(10) . . ?
C31 C35 C34 106.9(8) . . ?
C50 C36 C35 121.5(11) . . ?
C50 C36 C37 119.3(9) . . ?
C35 C36 C37 112.4(10) . . ?
C49 C37 C36 118.2(10) . . ?
C49 C37 C38 107.0(8) . . ?
C36 C37 C38 125.1(8) . . ?
C39 C38 C43 122.6(10) . . ?
C39 C38 C37 118.8(9) . . ?
C43 C38 C37 107.0(8) . . ?
C40 C39 C38 117.9(10) . . ?
C40 C39 C34 119.0(9) . . ?
C38 C39 C34 116.1(9) . . ?
C39 C40 C41 121.9(8) . . ?
C39 C40 C76 117.9(8) . . ?
C41 C40 C76 109.7(7) . . ?
C42 C41 C79 119.7(7) . . ?
C42 C41 C40 122.3(8) . . ?
C79 C41 C40 107.7(6) . . ?
C2 C42 C41 122.2(11) . . ?
C2 C42 C43 113.6(8) . . ?
C41 C42 C43 116.0(8) . . ?
C38 C43 C44 107.7(9) . . ?
C38 C43 C42 118.9(8) . . ?
C44 C43 C42 124.8(9) . . ?
C45 C44 C43 115.7(10) . . ?
C45 C44 C49 125.1(9) . . ?
C43 C44 C49 109.4(8) . . ?
C1 C45 C46 119.6(9) . . ?
C1 C45 C44 121.3(9) . . ?
C46 C45 C44 113.1(10) . . ?
C45 C46 C47 123.9(9) . . ?
C45 C46 C67 116.4(9) . . ?
C47 C46 C67 108.3(7) . . ?
C48 C47 C63 121.9(8) . . ?
C48 C47 C46 122.7(8) . . ?
C63 C47 C46 105.7(7) . . ?
C51 C48 C47 123.2(10) . . ?
C51 C48 C49 117.2(9) . . ?
C47 C48 C49 113.1(9) . . ?
C37 C49 C44 108.9(8) . . ?
C37 C49 C48 119.7(8) . . ?
C44 C49 C48 120.9(8) . . ?
C51 C50 C36 123.4(11) . . ?
C51 C50 C54 106.4(10) . . ?
C36 C50 C54 120.5(9) . . ?
C48 C51 C50 122.0(11) . . ?
C48 C51 C52 116.0(9) . . ?
C50 C51 C52 112.8(10) . . ?
C62 C52 C51 125.7(8) . . ?
C62 C52 C53 119.3(8) . . ?
C51 C52 C53 105.3(8) . . ?
C56 C53 C54 123.9(9) . . ?
C56 C53 C52 120.0(8) . . ?
C54 C53 C52 105.9(9) . . ?
C30 C54 C53 120.1(11) . . ?
C30 C54 C50 121.3(10) . . ?
C53 C54 C50 109.6(9) . . ?
C56 C55 C22 123.4(8) . . ?
C56 C55 C29 118.1(7) . . ?
C22 C55 C29 109.0(7) . . ?
C53 C56 C55 117.4(8) . . ?
C53 C56 C57 117.7(8) . . ?
C55 C56 C57 117.6(7) . . ?
C61 C57 C56 123.4(8) . . ?
C61 C57 C58 109.2(6) . . ?
C56 C57 C58 118.4(6) . . ?
C21 C58 C59 121.6(8) . . ?
C21 C58 C57 121.4(7) . . ?
C59 C58 C57 107.5(6) . . ?
C15 C59 C58 124.3(8) . . ?
C15 C59 C60 117.1(7) . . ?
C58 C59 C60 109.5(6) . . ?
C65 C60 C61 126.6(8) . . ?
C65 C60 C59 122.6(7) . . ?
C61 C60 C59 102.4(6) . . ?
C62 C61 C57 119.4(8) . . ?
C62 C61 C60 119.5(7) . . ?
C57 C61 C60 111.3(7) . . ?
C61 C62 C52 119.9(8) . . ?
C61 C62 C63 118.0(7) . . ?
C52 C62 C63 114.0(8) . . ?
C47 C63 C62 119.0(8) . . ?
C47 C63 C64 111.6(7) . . ?
C62 C63 C64 120.7(7) . . ?
C65 C64 C67 123.6(7) . . ?
C65 C64 C63 119.4(7) . . ?
C67 C64 C63 107.1(6) . . ?
C66 C65 C60 117.1(8) . . ?
C66 C65 C64 117.7(7) . . ?
C60 C65 C64 115.8(7) . . ?
C65 C66 C7 124.3(7) . . ?
C65 C66 C14 122.8(7) . . ?
C7 C66 C14 104.7(5) . . ?
C64 C67 C6 116.1(7) . . ?
C64 C67 C46 107.2(6) . . ?
C6 C67 C46 124.1(7) . . ?
C80 C68 C10 122.4(8) . . ?
C80 C68 C69 119.6(7) . . ?
C10 C68 C69 108.9(8) . . ?
C74 C69 C70 124.6(7) . . ?
C74 C69 C68 123.0(7) . . ?
C70 C69 C68 103.1(7) . . ?
C71 C70 C11 121.8(8) . . ?
C71 C70 C69 116.4(8) . . ?
C11 C70 C69 112.1(8) . . ?
C70 C71 C72 121.1(8) . . ?
C70 C71 C18 116.5(7) . . ?
C72 C71 C18 114.6(8) . . ?
C71 C72 C73 122.2(7) . . ?
C71 C72 C25 120.8(8) . . ?
C73 C72 C25 107.8(7) . . ?
C72 C73 C74 119.3(7) . . ?
C72 C73 C78 110.7(7) . . ?
C74 C73 C78 120.9(7) . . ?
C69 C74 C75 117.1(8) . . ?
C69 C74 C73 116.2(8) . . ?
C75 C74 C73 118.4(8) . . ?
C74 C75 C79 121.2(8) . . ?
C74 C75 C76 119.9(8) . . ?
C79 C75 C76 109.7(7) . . ?
C77 C76 C75 123.7(8) . . ?
C77 C76 C40 123.1(8) . . ?
C75 C76 C40 103.5(6) . . ?
C33 C77 C78 116.7(8) . . ?
C33 C77 C76 117.4(8) . . ?
C78 C77 C76 117.4(8) . . ?
C77 C78 C26 125.1(8) . . ?
C77 C78 C73 119.7(7) . . ?
C26 C78 C73 105.8(6) . . ?
C41 C79 C80 119.3(7) . . ?
C41 C79 C75 109.5(7) . . ?
C80 C79 C75 122.2(8) . . ?
C68 C80 C3 117.3(7) . . ?
C68 C80 C79 116.8(7) . . ?
C3 C80 C79 117.0(7) . . ?
N4P Ni1P N2P 177.66(8) . . ?
N4P Ni1P N3P 90.09(10) . . ?
N2P Ni1P N3P 90.02(10) . . ?
N4P Ni1P N1P 89.84(10) . . ?
N2P Ni1P N1P 89.96(9) . . ?
N3P Ni1P N1P 177.83(8) . . ?
C4P N1P C1P 104.1(2) . . ?
C4P N1P Ni1P 127.98(16) . . ?
C1P N1P Ni1P 127.82(18) . . ?
C6P N2P C9P 104.4(2) . . ?
C6P N2P Ni1P 127.58(16) . . ?
C9P N2P Ni1P 128.00(18) . . ?
C14P N3P C11P 104.4(2) . . ?
C14P N3P Ni1P 127.94(18) . . ?
C11P N3P Ni1P 127.62(18) . . ?
C19P N4P C16P 104.4(2) . . ?
C19P N4P Ni1P 127.99(19) . . ?
C16P N4P Ni1P 127.65(18) . . ?
C20P C1P N1P 125.2(2) . . ?
C20P C1P C2P 123.5(2) . . ?
N1P C1P C2P 111.3(2) . . ?
C3P C2P C1P 106.7(2) . . ?
C3P C2P C21P 128.4(3) . . ?
C1P C2P C21P 124.8(3) . . ?
C2P C3P C4P 105.9(2) . . ?
C2P C3P C23P 128.8(3) . . ?
C4P C3P C23P 125.3(3) . . ?
C5P C4P N1P 124.9(2) . . ?
C5P C4P C3P 123.1(3) . . ?
N1P C4P C3P 112.0(2) . . ?
C4P C5P C6P 123.9(3) . . ?
N2P C6P C5P 125.6(2) . . ?
N2P C6P C7P 111.4(2) . . ?
C5P C6P C7P 123.0(3) . . ?
C8P C7P C6P 106.3(2) . . ?
C8P C7P C25P 129.2(3) . . ?
C6P C7P C25P 124.4(3) . . ?
C7P C8P C9P 106.5(2) . . ?
C7P C8P C27P 128.5(3) . . ?
C9P C8P C27P 124.9(3) . . ?
C10P C9P N2P 125.1(2) . . ?
C10P C9P C8P 123.5(2) . . ?
N2P C9P C8P 111.4(2) . . ?
C11P C10P C9P 123.9(2) . . ?
C10P C11P N3P 125.3(2) . . ?
C10P C11P C12P 123.2(2) . . ?
N3P C11P C12P 111.5(2) . . ?
C13P C12P C11P 106.1(2) . . ?
C13P C12P C29P 129.2(3) . . ?
C11P C12P C29P 124.6(3) . . ?
C12P C13P C14P 106.8(2) . . ?
C12P C13P C31P 128.2(3) . . ?
C14P C13P C31P 124.8(3) . . ?
C15P C14P N3P 124.8(2) . . ?
C15P C14P C13P 123.9(3) . . ?
N3P C14P C13P 111.2(2) . . ?
C16P C15P C14P 124.3(3) . . ?
C15P C16P N4P 125.2(2) . . ?
C15P C16P C17P 123.9(3) . . ?
N4P C16P C17P 110.9(2) . . ?
C18P C17P C16P 106.6(3) . . ?
C18P C17P C33P 128.0(3) . . ?
C16P C17P C33P 125.3(3) . . ?
C17P C18P C19P 106.6(2) . . ?
C17P C18P C35P 127.9(3) . . ?
C19P C18P C35P 125.5(3) . . ?
C20P C19P N4P 125.1(2) . . ?
C20P C19P C18P 123.3(2) . . ?
N4P C19P C18P 111.6(2) . . ?
C1P C20P C19P 124.0(2) . . ?
C2P C21P C22P 111.5(2) . . ?
C3P C23P C24P 112.4(3) . . ?
C7P C25P C26P 113.4(3) . . ?
C8P C27P C28P 112.8(3) . . ?
C12P C29P C30P 113.4(3) . . ?
C13P C31P C32P 112.2(4) . . ?
C17P C33P C34P 112.9(4) . . ?
C18P C35P C36P 112.9(3) . . ?
C6S C1S C2S 119.9(5) . . ?
C3S C2S C1S 122.4(5) . . ?
C2S C3S C4S 119.2(5) . . ?
C3S C4S C5S 120.0(5) . . ?
C4S C5S C6S 118.9(5) . . ?
C1S C6S C5S 119.6(5) . . ?
C8S C7S C12S 120.0 . . ?
C9S C8S C7S 120.0 . . ?
C8S C9S C10S 120.0 . . ?
C11S C10S C9S 120.0 . . ?
C12S C11S C10S 120.0 . . ?
C11S C12S C7S 120.0 . . ?

_refine_diff_density_max         1.234
_refine_diff_density_min         -1.255
_refine_diff_density_rms         0.117



####################################################################### 
# 
# 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_sc3n@c80-250k
_database_code_depnum_ccdc_archive 'CCDC 2027149'
loop_
_audit_author_name
_audit_author_address
'Fupin Liu'
;Leibniz Institute for Solid State and Materials Research, Dresden
Germany
;
_audit_update_record             
;
2020-09-03 deposited with the CCDC.	2020-11-03 downloaded from the CCDC.
;
# start Validation Reply Form
_vrf_PLAT308_sc3n@c80-250k       
;
PROBLEM: Single Bonded Metal Atom 
RESPONSE: This is disordered endohedral metal atom
;
_vrf_PLAT029_sc3n@c80-250k       
;
PROBLEM: diffrn_measured_fraction_theta_full value low
RESPONSE: This is caused by the limited phi scan with synchrotron radiation 
X-ray diffraction facility
;

_audit_creation_method           SHELXL-2018/3
_shelx_SHELXL_version_number     2018/3
_chemical_name_systematic        ?
_chemical_name_common            ;Sc3N@Ih(7)-C80/NiOEP/2C6H6;
_chemical_melting_point          ?
_chemical_formula_moiety         ;Sc3N@C80/NiOEP/2C6H6;
_chemical_formula_sum            'C128 H56 N5 Ni Sc2.67'
_chemical_formula_weight         1842.30

loop_
_atom_type_symbol
_atom_type_description
_atom_type_scat_dispersion_real
_atom_type_scat_dispersion_imag
_atom_type_scat_source
C C 0.0048 0.0021 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
H H 0.0000 0.0000 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
N N 0.0087 0.0042 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Ni Ni 0.3285 1.3900 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Sc Sc 0.3094 0.4822 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'

_space_group_crystal_system      triclinic
_space_group_IT_number           2
_space_group_name_H-M_alt        'P -1'
_space_group_name_Hall           '-P 1'

_shelx_space_group_comment       
;
The symmetry employed for this shelxl refinement is uniquely defined
by the following loop, which should always be used as a source of
symmetry information in preference to the above space-group names.
They are only intended as comments.
;

loop_
_space_group_symop_operation_xyz
'x, y, z'
'-x, -y, -z'

_cell_length_a                   14.810(3)
_cell_length_b                   15.490(3)
_cell_length_c                   17.880(4)
_cell_angle_alpha                81.12(3)
_cell_angle_beta                 74.16(3)
_cell_angle_gamma                86.10(3)
_cell_volume                     3897.3(15)
_cell_formula_units_Z            2
_cell_measurement_temperature    250(2)
_cell_measurement_reflns_used    73124
_cell_measurement_theta_min      1.346
_cell_measurement_theta_max      36.651

_exptl_crystal_description       block
_exptl_crystal_colour            black
_exptl_crystal_density_meas      ?
_exptl_crystal_density_method    ?
_exptl_crystal_density_diffrn    1.570
_exptl_crystal_F_000             1886
_exptl_transmission_factor_min   ?
_exptl_transmission_factor_max   ?
_exptl_crystal_size_max          0.100
_exptl_crystal_size_mid          0.080
_exptl_crystal_size_min          0.060
_exptl_absorpt_coefficient_mu    0.730
_shelx_estimated_absorpt_T_min   0.931
_shelx_estimated_absorpt_T_max   0.958
_exptl_absorpt_correction_type   ?
_exptl_absorpt_correction_T_min  ?
_exptl_absorpt_correction_T_max  ?
_exptl_absorpt_process_details   ?
_exptl_absorpt_special_details   ?
_diffrn_ambient_temperature      250(2)
_diffrn_radiation_wavelength     0.7999
_diffrn_radiation_type           synchrotron
_diffrn_source                   'BESSY BL MX-14.2'
_diffrn_measurement_device_type  PILATUS
_diffrn_measurement_method       'phi scan'
_diffrn_detector_area_resol_mean ?
_diffrn_reflns_number            73124
_diffrn_reflns_av_unetI/netI     0.0193
_diffrn_reflns_av_R_equivalents  0.0217
_diffrn_reflns_limit_h_min       -21
_diffrn_reflns_limit_h_max       21
_diffrn_reflns_limit_k_min       -20
_diffrn_reflns_limit_k_max       21
_diffrn_reflns_limit_l_min       -25
_diffrn_reflns_limit_l_max       25
_diffrn_reflns_theta_min         1.346
_diffrn_reflns_theta_max         36.651
_diffrn_reflns_theta_full        28.681
_diffrn_measured_fraction_theta_max 0.781
_diffrn_measured_fraction_theta_full 0.912
_diffrn_reflns_Laue_measured_fraction_max 0.781
_diffrn_reflns_Laue_measured_fraction_full 0.912
_diffrn_reflns_point_group_measured_fraction_max 0.781
_diffrn_reflns_point_group_measured_fraction_full 0.912
_reflns_number_total             21172
_reflns_number_gt                20467
_reflns_threshold_expression     'I > 2σ(I)'
_reflns_Friedel_coverage         0.000
_reflns_Friedel_fraction_max     .
_reflns_Friedel_fraction_full    .

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

_computing_data_collection       XDS
_computing_cell_refinement       XDS
_computing_data_reduction        XDS
_computing_structure_solution    'SHELXT 2018/2 (Sheldrick, 2018)'
_computing_structure_refinement  'SHELXL-2018/3 (Sheldrick, 2018)'
_computing_molecular_graphics    ?
_computing_publication_material  ?
_refine_special_details          ?
_refine_ls_structure_factor_coef Fsqd
_refine_ls_matrix_type           full
_refine_ls_weighting_scheme      calc
_refine_ls_weighting_details     
'w=1/[σ²(Fo²)+(0.2310P)²+2.9100P] where P=(Fo²+2Fc²)/3'
_atom_sites_solution_primary     ?
_atom_sites_solution_secondary   ?
_atom_sites_solution_hydrogens   geom
_refine_ls_hydrogen_treatment    constr
_refine_ls_extinction_method     none
_refine_ls_extinction_coef       .
_refine_ls_number_reflns         21172
_refine_ls_number_parameters     1453
_refine_ls_number_restraints     1625
_refine_ls_R_factor_all          0.1031
_refine_ls_R_factor_gt           0.1019
_refine_ls_wR_factor_ref         0.3140
_refine_ls_wR_factor_gt          0.3122
_refine_ls_goodness_of_fit_ref   1.030
_refine_ls_restrained_S_all      1.161
_refine_ls_shift/su_max          0.026
_refine_ls_shift/su_mean         0.001

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
N1 N 0.55524(15) 0.79214(15) 0.76330(12) 0.0338(4) Uani 1 1 d . . . A 1
Sc1 Sc 0.6006(5) 0.7078(6) 0.6861(5) 0.0850(19) Uani 0.199(5) 1 d . U . B 2
Sc2 Sc 0.4476(7) 0.8619(8) 0.8222(7) 0.103(3) Uani 0.168(6) 1 d . U . B 2
Sc3 Sc 0.6217(13) 0.7060(14) 0.8306(10) 0.095(2) Uani 0.096(5) 1 d . U . B 2
Sc4 Sc 0.5924(10) 0.6760(10) 0.7338(10) 0.089(3) Uani 0.089(4) 1 d . U . B 2
Sc5 Sc 0.5174(15) 0.7697(16) 0.8805(7) 0.098(3) Uani 0.081(4) 1 d . U . B 2
Sc6 Sc 0.4540(10) 0.8829(11) 0.7425(10) 0.100(3) Uani 0.154(7) 1 d . U . B 2
Sc7 Sc 0.6630(9) 0.7442(10) 0.8051(8) 0.094(2) Uani 0.126(5) 1 d . U . B 2
Sc8 Sc 0.4936(16) 0.9105(16) 0.7780(14) 0.104(3) Uani 0.069(4) 1 d . U . B 2
Sc9 Sc 0.6259(7) 0.7582(8) 0.6590(4) 0.102(2) Uani 0.200(6) 1 d . U . B 2
Sc10 Sc 0.4632(13) 0.8592(16) 0.7141(13) 0.094(3) Uani 0.078(6) 1 d . U . B 2
Sc11 Sc 0.5732(18) 0.8089(14) 0.8659(9) 0.092(2) Uani 0.089(5) 1 d . U . B 2
Sc12 Sc 0.5781(8) 0.7428(9) 0.8662(4) 0.096(2) Uani 0.157(5) 1 d . U . B 2
Sc13 Sc 0.5618(15) 0.7653(11) 0.6569(7) 0.087(3) Uani 0.095(5) 1 d . U . B 2
Sc14 Sc 0.6017(11) 0.8149(13) 0.6476(5) 0.098(3) Uani 0.108(5) 1 d . U . B 2
Sc15 Sc 0.6850(10) 0.7891(11) 0.6957(8) 0.107(3) Uani 0.099(4) 1 d . U . B 2
Sc16 Sc 0.6247(12) 0.6831(14) 0.7960(11) 0.100(3) Uani 0.087(5) 1 d . U . B 2
Sc17 Sc 0.6845(10) 0.7501(12) 0.7601(10) 0.095(3) Uani 0.088(4) 1 d . U . B 2
Sc18 Sc 0.5160(11) 0.7906(10) 0.6657(6) 0.086(2) Uani 0.091(4) 1 d . U . B 2
Sc19 Sc 0.4289(15) 0.803(2) 0.8323(12) 0.106(3) Uani 0.073(5) 1 d . U . B 2
Sc20 Sc 0.6211(13) 0.8048(11) 0.8439(9) 0.087(2) Uani 0.106(5) 1 d . U . B 2
Sc21 Sc 0.5114(15) 0.9153(14) 0.7251(11) 0.103(3) Uani 0.082(4) 1 d . U . B 2
Sc22 Sc 0.531(2) 0.712(2) 0.8593(13) 0.096(3) Uani 0.048(4) 1 d . U . B 2
Sc23 Sc 0.4267(9) 0.8480(13) 0.7771(11) 0.101(3) Uani 0.119(5) 1 d . U . B 2
Sc24 Sc 0.4712(11) 0.8357(11) 0.8565(7) 0.105(3) Uani 0.117(5) 1 d . U . B 2
Sc25 Sc 0.6462(17) 0.849(2) 0.8044(15) 0.091(3) Uani 0.051(4) 1 d . U . B 2
C1 C 0.7789(6) 0.6538(7) 0.6528(5) 0.162(4) Uani 1 1 d D U . C 1
C2 C 0.8039(6) 0.6621(8) 0.7267(10) 0.221(6) Uani 1 1 d D U . C 1
C3 C 0.8335(5) 0.7427(11) 0.7274(10) 0.180(4) Uani 1 1 d . U . C 1
C4 C 0.8323(5) 0.7952(10) 0.6490(7) 0.173(4) Uani 1 1 d D U . C 1
C5 C 0.7970(8) 0.7401(8) 0.6085(8) 0.212(5) Uani 1 1 d D U . C 1
C6 C 0.7494(8) 0.7748(9) 0.5558(5) 0.197(5) Uani 1 1 d D U . C 1
C7 C 0.7277(6) 0.8639(7) 0.5446(3) 0.166(4) Uani 1 1 d D U . C 1
C8 C 0.7550(6) 0.9208(6) 0.5897(6) 0.179(4) Uani 1 1 d D U . C 1
C9 C 0.8104(7) 0.8839(10) 0.6413(7) 0.195(5) Uani 1 1 d D U . C 1
C10 C 0.7972(6) 0.9190(8) 0.7041(8) 0.210(5) Uani 1 1 d D U . C 1
C11 C 0.7308(7) 0.9942(6) 0.7174(7) 0.200(5) Uani 1 1 d D U . C 1
C12 C 0.6776(11) 1.0219(7) 0.6688(7) 0.200(5) Uani 1 1 d D U . C 1
C13 C 0.6851(9) 0.9874(6) 0.6015(6) 0.184(4) Uani 1 1 d D U . C 1
C14 C 0.6118(7) 0.9721(6) 0.5674(5) 0.154(4) Uani 1 1 d D U . C 1
C15 C 0.5203(9) 0.9897(6) 0.5996(5) 0.226(5) Uani 1 1 d D U . C 1
C16 C 0.5047(10) 1.0431(7) 0.6664(8) 0.203(5) Uani 1 1 d D U . C 1
C17 C 0.5846(10) 1.0534(6) 0.6979(9) 0.200(5) Uani 1 1 d D U . C 1
C18 C 0.5485(8) 1.0534(5) 0.7734(7) 0.186(4) Uani 1 1 d D U . C 1
C19 C 0.4481(8) 1.0383(6) 0.7948(7) 0.215(6) Uani 1 1 d D U . C 1
C20 C 0.4270(9) 1.0342(6) 0.7277(7) 0.213(6) Uani 1 1 d D U . C 1
C21 C 0.3494(7) 0.9692(8) 0.7291(6) 0.198(5) Uani 1 1 d D U . C 1
C22 C 0.3050(6) 0.9285(8) 0.7910(10) 0.222(6) Uani 1 1 d D U . C 1
C23 C 0.3254(6) 0.9360(7) 0.8716(6) 0.171(4) Uani 1 1 d D U . C 1
C24 C 0.4018(7) 0.9842(6) 0.8699(6) 0.237(6) Uani 1 1 d D U . C 1
C25 C 0.4532(8) 0.9569(6) 0.9242(5) 0.193(4) Uani 1 1 d D U . C 1
C26 C 0.4322(8) 0.8737(6) 0.9739(4) 0.172(4) Uani 1 1 d D U . C 1
C27 C 0.3630(7) 0.8203(8) 0.9693(5) 0.204(5) Uani 1 1 d D U . C 1
C28 C 0.3078(6) 0.8529(10) 0.9165(8) 0.224(6) Uani 1 1 d D U . C 1
C29 C 0.2798(6) 0.7873(11) 0.8844(10) 0.195(5) Uani 1 1 d . U . C 1
C30 C 0.2974(8) 0.7019(12) 0.8839(10) 0.201(5) Uani 1 1 d . U . C 1
C31 C 0.3541(7) 0.6626(8) 0.9375(6) 0.215(5) Uani 1 1 d D U . C 1
C32 C 0.3796(6) 0.7257(7) 0.9798(4) 0.176(4) Uani 1 1 d D U . C 1
C33 C 0.4691(8) 0.6959(6) 0.9944(3) 0.184(4) Uani 1 1 d D U . C 1
C34 C 0.5001(8) 0.6146(6) 0.9605(4) 0.176(4) Uani 1 1 d D U . C 1
C35 C 0.4247(7) 0.5964(6) 0.9273(6) 0.200(5) Uani 1 1 d D U . C 1
C36 C 0.4448(10) 0.5568(7) 0.8599(9) 0.220(5) Uani 1 1 d D U . C 1
C37 C 0.5336(12) 0.5274(6) 0.8268(8) 0.192(5) Uani 1 1 d D U . C 1
C38 C 0.6122(8) 0.5407(6) 0.8595(7) 0.200(5) Uani 1 1 d D U . C 1
C39 C 0.5929(8) 0.5906(9) 0.9226(6) 0.235(6) Uani 1 1 d D U . C 1
C40 C 0.6598(8) 0.6424(7) 0.9288(5) 0.198(5) Uani 1 1 d D U . C 1
C41 C 0.7442(6) 0.6572(6) 0.8669(6) 0.184(5) Uani 1 1 d D U . C 1
C42 C 0.7598(6) 0.6189(7) 0.7956(6) 0.206(5) Uani 1 1 d D U . C 1
C43 C 0.6867(9) 0.5545(6) 0.7972(7) 0.205(5) Uani 1 1 d D U . C 1
C44 C 0.6609(8) 0.5471(6) 0.7311(7) 0.194(5) Uani 1 1 d D U . C 1
C45 C 0.7034(8) 0.5999(7) 0.6569(7) 0.227(6) Uani 1 1 d D U . C 1
C46 C 0.6572(10) 0.6237(7) 0.6040(6) 0.191(4) Uani 1 1 d D U . C 1
C47 C 0.5470(10) 0.6079(7) 0.6263(7) 0.187(4) Uani 1 1 d D U . C 1
C48 C 0.5073(9) 0.5668(7) 0.6948(10) 0.205(5) Uani 1 1 d D U . C 1
C49 C 0.5638(11) 0.5306(5) 0.7528(7) 0.184(4) Uani 1 1 d D U . C 1
C50 C 0.3787(10) 0.5896(7) 0.8144(9) 0.225(5) Uani 1 1 d D U . C 1
C51 C 0.4180(9) 0.5896(7) 0.7306(9) 0.216(5) Uani 1 1 d D U . C 1
C52 C 0.3739(7) 0.6633(7) 0.6878(7) 0.205(5) Uani 1 1 d D U . C 1
C53 C 0.3059(6) 0.7092(8) 0.7495(7) 0.214(5) Uani 1 1 d D U . C 1
C54 C 0.3104(8) 0.6628(10) 0.8271(8) 0.224(5) Uani 1 1 d D U . C 1
C55 C 0.2730(4) 0.8436(10) 0.8072(10) 0.183(4) Uani 1 1 d . U . C 1
C56 C 0.2919(5) 0.7917(10) 0.7376(8) 0.196(4) Uani 1 1 d D U . C 1
C57 C 0.3380(7) 0.8441(8) 0.6633(8) 0.177(4) Uani 1 1 d D U . C 1
C58 C 0.3636(8) 0.9280(7) 0.6622(8) 0.189(5) Uani 1 1 d D U . C 1
C59 C 0.4499(7) 0.9382(7) 0.5973(5) 0.194(5) Uani 1 1 d D U . C 1
C60 C 0.4796(8) 0.8565(8) 0.5600(4) 0.174(4) Uani 1 1 d D U . C 1
C61 C 0.4004(8) 0.8046(10) 0.6060(6) 0.190(4) Uani 1 1 d D U . C 1
C62 C 0.4167(8) 0.7107(10) 0.6203(7) 0.192(4) Uani 1 1 d D U . C 1
C63 C 0.5143(10) 0.6822(10) 0.5833(7) 0.181(4) Uani 1 1 d . U . C 1
C64 C 0.5985(11) 0.7481(9) 0.5372(4) 0.168(4) Uani 1 1 d . U . C 1
C65 C 0.5732(10) 0.8414(8) 0.5294(4) 0.184(4) Uani 1 1 d D U . C 1
C66 C 0.6380(7) 0.8905(7) 0.5335(3) 0.167(4) Uani 1 1 d D U . C 1
C67 C 0.6835(10) 0.7091(9) 0.5534(5) 0.171(4) Uani 1 1 d . U . C 1
C68 C 0.7997(6) 0.8743(8) 0.7803(7) 0.212(5) Uani 1 1 d D U . C 1
C69 C 0.7333(7) 0.9202(6) 0.8410(7) 0.195(4) Uani 1 1 d D U . C 1
C70 C 0.6913(8) 0.9928(6) 0.7998(7) 0.199(5) Uani 1 1 d D U . C 1
C71 C 0.6033(8) 1.0193(6) 0.8285(7) 0.203(5) Uani 1 1 d D U . C 1
C72 C 0.5603(9) 0.9730(6) 0.9026(6) 0.184(4) Uani 1 1 d D U . C 1
C73 C 0.5934(11) 0.8996(10) 0.9440(7) 0.179(4) Uani 1 1 d . U . C 1
C74 C 0.6888(8) 0.8710(9) 0.9090(7) 0.195(4) Uani 1 1 d D U . C 1
C75 C 0.7031(8) 0.7842(8) 0.9241(5) 0.194(4) Uani 1 1 d D U . C 1
C76 C 0.6307(8) 0.7221(8) 0.9667(4) 0.184(4) Uani 1 1 d D U . C 1
C77 C 0.5315(9) 0.7475(10) 0.9971(4) 0.191(4) Uani 1 1 d D U . C 1
C78 C 0.5155(9) 0.8395(8) 0.9876(4) 0.167(4) Uani 1 1 d D U . C 1
C79 C 0.7699(6) 0.7427(7) 0.8656(6) 0.182(4) Uani 1 1 d D U . C 1
C80 C 0.8150(5) 0.7940(10) 0.7936(8) 0.195(4) Uani 1 1 d D U . C 1
Ni1P Ni 0.92522(2) 0.54183(2) 0.58020(2) 0.02763(12) Uani 1 1 d . . . D 1
N1P N 0.88479(14) 0.56800(15) 0.48337(12) 0.0312(4) Uani 1 1 d . . . D 1
N2P N 1.00085(13) 0.64648(14) 0.54967(12) 0.0296(4) Uani 1 1 d . . . D 1
N3P N 0.96188(14) 0.51816(15) 0.67903(12) 0.0332(4) Uani 1 1 d . . . D 1
N4P N 0.84533(14) 0.43981(15) 0.61274(13) 0.0326(4) Uani 1 1 d . . . D 1
C1P C 0.82309(17) 0.52307(18) 0.45965(15) 0.0342(5) Uani 1 1 d . . . D 1
C2P C 0.80655(19) 0.5661(2) 0.38630(16) 0.0396(5) Uani 1 1 d . . . D 1
C3P C 0.8592(2) 0.6388(2) 0.36478(16) 0.0410(6) Uani 1 1 d . . . D 1
C4P C 0.90793(18) 0.63843(19) 0.42510(15) 0.0347(5) Uani 1 1 d . . . D 1
C5P C 0.96825(19) 0.70233(18) 0.42365(15) 0.0358(5) Uani 1 1 d . . . D 1
H H 0.981456 0.746094 0.379761 0.043 Uiso 1 1 calc R U . D 1
C6P C 1.01078(16) 0.70629(17) 0.48273(14) 0.0324(4) Uani 1 1 d . . . D 1
C7P C 1.07059(18) 0.77649(19) 0.48162(16) 0.0379(5) Uani 1 1 d . . . D 1
C8P C 1.09765(17) 0.75899(18) 0.54952(17) 0.0373(5) Uani 1 1 d . . . D 1
C9P C 1.05449(15) 0.67866(17) 0.59067(14) 0.0317(4) Uani 1 1 d . . . D 1
C10P C 1.06494(16) 0.64028(19) 0.66257(15) 0.0349(5) Uani 1 1 d . . . D 1
HA H 1.105111 0.666423 0.684619 0.042 Uiso 1 1 calc R U . D 1
C11P C 1.02026(16) 0.56617(19) 0.70398(14) 0.0355(5) Uani 1 1 d . . . D 1
C12P C 1.02765(19) 0.5297(2) 0.78168(16) 0.0445(6) Uani 1 1 d . . . D 1
C13P C 0.9723(2) 0.4583(3) 0.80399(17) 0.0492(7) Uani 1 1 d . . . D 1
C14P C 0.93284(19) 0.4515(2) 0.73987(16) 0.0408(6) Uani 1 1 d . . . D 1
C15P C 0.8718(2) 0.3872(2) 0.74056(18) 0.0460(6) Uani 1 1 d . . . D 1
HB H 0.857741 0.343821 0.784691 0.055 Uiso 1 1 calc R U . D 1
C16P C 0.8308(2) 0.38250(19) 0.68151(17) 0.0403(5) Uani 1 1 d . . . D 1
C17P C 0.7656(2) 0.3163(2) 0.68323(19) 0.0453(6) Uani 1 1 d . . . D 1
C18P C 0.74110(19) 0.33247(19) 0.61532(19) 0.0421(6) Uani 1 1 d . . . D 1
C19P C 0.79014(16) 0.40947(17) 0.57207(16) 0.0347(5) Uani 1 1 d . . . D 1
C20P C 0.77972(17) 0.44773(18) 0.50032(17) 0.0369(5) Uani 1 1 d . . . D 1
HC H 0.740678 0.420877 0.477682 0.044 Uiso 1 1 calc R U . D 1
C21P C 0.7389(2) 0.5370(2) 0.3471(2) 0.0508(7) Uani 1 1 d . . . D 1
HD H 0.741364 0.473002 0.352031 0.061 Uiso 1 1 calc R U . D 1
HE H 0.757516 0.560059 0.291019 0.061 Uiso 1 1 calc R U . D 1
C22P C 0.6386(3) 0.5681(4) 0.3832(4) 0.0814(16) Uani 1 1 d . . . D 1
HF H 0.597602 0.552595 0.353568 0.122 Uiso 1 1 calc R U . D 1
HG H 0.636833 0.631031 0.381636 0.122 Uiso 1 1 calc R U . D 1
HH H 0.617660 0.540393 0.437226 0.122 Uiso 1 1 calc R U . D 1
C23P C 0.8638(3) 0.7092(3) 0.29654(18) 0.0545(8) Uani 1 1 d . . . D 1
HI H 0.844945 0.685568 0.255461 0.065 Uiso 1 1 calc R U . D 1
HJ H 0.928745 0.728004 0.274875 0.065 Uiso 1 1 calc R U . D 1
C24P C 0.8008(4) 0.7880(3) 0.3191(3) 0.0762(12) Uani 1 1 d . . . D 1
HK H 0.807388 0.832477 0.273479 0.114 Uiso 1 1 calc R U . D 1
HL H 0.818780 0.811481 0.360035 0.114 Uiso 1 1 calc R U . D 1
HM H 0.735932 0.770386 0.338149 0.114 Uiso 1 1 calc R U . D 1
C25P C 1.0937(2) 0.8521(2) 0.4175(2) 0.0514(7) Uani 1 1 d . . . D 1
HN H 1.109480 0.830426 0.366717 0.062 Uiso 1 1 calc R U . D 1
HO H 1.149141 0.880407 0.421366 0.062 Uiso 1 1 calc R U . D 1
C26P C 1.0137(4) 0.9192(3) 0.4207(3) 0.0703(10) Uani 1 1 d . . . D 1
HP H 1.034988 0.970167 0.382412 0.105 Uiso 1 1 calc R U . D 1
HQ H 0.993149 0.936223 0.472830 0.105 Uiso 1 1 calc R U . D 1
HR H 0.961802 0.894089 0.408905 0.105 Uiso 1 1 calc R U . D 1
C27P C 1.1574(2) 0.8127(2) 0.5791(2) 0.0510(7) Uani 1 1 d . . . D 1
HS H 1.195052 0.851602 0.534662 0.061 Uiso 1 1 calc R U . D 1
HT H 1.200752 0.773725 0.602085 0.061 Uiso 1 1 calc R U . D 1
C28P C 1.0998(3) 0.8674(3) 0.6404(4) 0.0870(18) Uani 1 1 d . . . D 1
HU H 1.063432 0.911907 0.615924 0.131 Uiso 1 1 calc R U . D 1
HV H 1.141583 0.895162 0.662248 0.131 Uiso 1 1 calc R U . D 1
HW H 1.057673 0.829996 0.681978 0.131 Uiso 1 1 calc R U . D 1
C29P C 1.0820(2) 0.5682(3) 0.8273(2) 0.0585(9) Uani 1 1 d . . . D 1
HX H 1.142873 0.586615 0.792094 0.070 Uiso 1 1 calc R U . D 1
HY H 1.093848 0.523043 0.868559 0.070 Uiso 1 1 calc R U . D 1
C30P C 1.0316(4) 0.6467(5) 0.8650(3) 0.0872(16) Uani 1 1 d . . . D 1
HZ H 1.029534 0.695503 0.824371 0.131 Uiso 1 1 calc R U . D 1
H0AA H 1.065162 0.662973 0.900102 0.131 Uiso 1 1 calc R U . D 1
H1AA H 0.968068 0.631204 0.894548 0.131 Uiso 1 1 calc R U . D 1
C31P C 0.9514(3) 0.3989(4) 0.8806(2) 0.0738(14) Uani 1 1 d . . . D 1
H2AA H 1.003547 0.399611 0.904410 0.089 Uiso 1 1 calc R U . D 1
H3AA H 0.946522 0.339016 0.870962 0.089 Uiso 1 1 calc R U . D 1
C32P C 0.8609(4) 0.4249(6) 0.9379(3) 0.119(3) Uani 1 1 d . . . D 1
H4AA H 0.811953 0.437546 0.910834 0.178 Uiso 1 1 calc R U . D 1
H5AA H 0.870988 0.476486 0.958906 0.178 Uiso 1 1 calc R U . D 1
H6AA H 0.842001 0.377320 0.980541 0.178 Uiso 1 1 calc R U . D 1
C33P C 0.7322(3) 0.2446(3) 0.7502(2) 0.0672(11) Uani 1 1 d . . . D 1
H7AA H 0.782913 0.226946 0.775396 0.081 Uiso 1 1 calc R U . D 1
H8AA H 0.717249 0.193807 0.729663 0.081 Uiso 1 1 calc R U . D 1
C34P C 0.6466(6) 0.2720(4) 0.8108(3) 0.115(3) Uani 1 1 d . . . D 1
H9AA H 0.592248 0.275616 0.790022 0.173 Uiso 1 1 calc R U . D 1
H0BA H 0.656489 0.328744 0.823468 0.173 Uiso 1 1 calc R U . D 1
H1BA H 0.636151 0.229362 0.857923 0.173 Uiso 1 1 calc R U . D 1
C35P C 0.6753(2) 0.2828(2) 0.5883(2) 0.0528(8) Uani 1 1 d . . . D 1
H2BA H 0.675026 0.221900 0.613335 0.063 Uiso 1 1 calc R U . D 1
H3BA H 0.698777 0.283178 0.531426 0.063 Uiso 1 1 calc R U . D 1
C36P C 0.5758(3) 0.3194(4) 0.6066(4) 0.0868(16) Uani 1 1 d . . . D 1
H4BA H 0.537429 0.285577 0.586271 0.130 Uiso 1 1 calc R U . D 1
H5BA H 0.575286 0.379869 0.582187 0.130 Uiso 1 1 calc R U . D 1
H6BA H 0.550645 0.316405 0.662982 0.130 Uiso 1 1 calc R U . D 1
C1S C 0.7315(5) 0.6234(4) 1.1135(4) 0.0855(14) Uani 1 1 d . . . E 1
H7BA H 0.727876 0.563566 1.111169 0.103 Uiso 1 1 calc R U . E 1
C2S C 0.6581(5) 0.6649(5) 1.1597(4) 0.0937(16) Uani 1 1 d . . . E 1
H8BA H 0.604642 0.633129 1.188009 0.112 Uiso 1 1 calc R U . E 1
C3S C 0.6600(6) 0.7484(5) 1.1658(4) 0.105(2) Uani 1 1 d . . . E 1
H9BA H 0.608026 0.775249 1.197853 0.126 Uiso 1 1 calc R U . E 1
C4S C 0.7355(7) 0.7955(5) 1.1265(5) 0.109(2) Uani 1 1 d . . . E 1
H0CA H 0.736967 0.854707 1.132045 0.131 Uiso 1 1 calc R U . E 1
C5S C 0.8122(6) 0.7563(6) 1.0773(5) 0.118(3) Uani 1 1 d . . . E 1
H1CA H 0.865385 0.788279 1.048453 0.142 Uiso 1 1 calc R U . E 1
C6S C 0.8063(4) 0.6648(5) 1.0726(4) 0.0897(16) Uani 1 1 d . . . E 1
H2CA H 0.855994 0.635570 1.040294 0.108 Uiso 1 1 calc R U . E 1
C7S C 1.0173(9) 1.0378(10) 0.8008(6) 0.266(8) Uani 1 1 d G U . F 1
H3CA H 1.062522 1.046090 0.752017 0.319 Uiso 1 1 calc R U . F 1
C8S C 0.9556(11) 1.1059(8) 0.8253(8) 0.299(8) Uani 1 1 d G U . F 1
H4CA H 0.959120 1.160244 0.793050 0.359 Uiso 1 1 calc R U . F 1
C9S C 0.8888(9) 1.0936(9) 0.8974(9) 0.262(7) Uani 1 1 d G U . F 1
H5CA H 0.847096 1.139650 0.913956 0.314 Uiso 1 1 calc R U . F 1
C10S C 0.8837(9) 1.0132(10) 0.9451(6) 0.274(8) Uani 1 1 d G U . F 1
H6CA H 0.838472 1.004902 0.993830 0.329 Uiso 1 1 calc R U . F 1
C11S C 0.9454(11) 0.9451(8) 0.9206(7) 0.276(8) Uani 1 1 d G U . F 1
H7CA H 0.941873 0.890749 0.952799 0.332 Uiso 1 1 calc R U . F 1
C12S C 1.0122(9) 0.9574(8) 0.8484(8) 0.234(6) Uani 1 1 d G U . F 1
H8CA H 1.053898 0.911341 0.831892 0.281 Uiso 1 1 calc R U . F 1


_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
Sc1 Sc4 0.898(18) . ?
Sc1 Sc9 0.899(11) . ?
Sc1 Sc13 1.16(2) . ?
Sc1 Sc14 1.694(19) . ?
Sc1 Sc18 1.798(16) . ?
Sc1 Sc15 1.89(2) . ?
Sc1 Sc16 2.07(2) . ?
Sc1 Sc17 2.235(16) . ?
Sc1 Sc7 2.685(13) . ?
Sc1 Sc3 2.681(18) . ?
Sc1 Sc10 3.01(2) . ?
Sc1 Sc22 2.99(3) . ?
Sc2 Sc24 0.828(15) . ?
Sc2 Sc19 0.95(3) . ?
Sc2 Sc23 0.995(17) . ?
Sc2 Sc8 1.12(3) . ?
Sc2 Sc6 1.39(2) . ?
Sc2 Sc21 1.83(3) . ?
Sc2 Sc10 1.89(3) . ?
Sc2 Sc5 2.03(2) . ?
Sc2 Sc11 2.27(2) . ?
Sc2 Sc22 2.64(3) . ?
Sc2 Sc12 2.766(13) . ?
Sc2 Sc20 2.768(17) . ?
Sc3 Sc16 0.75(2) . ?
Sc3 Sc7 0.86(2) . ?
Sc3 Sc12 0.99(2) . ?
Sc3 Sc22 1.30(4) . ?
Sc3 Sc17 1.45(3) . ?
Sc3 Sc20 1.59(3) . ?
Sc3 Sc11 1.83(3) . ?
Sc3 Sc5 1.86(3) . ?
Sc3 Sc4 2.02(2) . ?
Sc3 Sc25 2.22(4) . ?
Sc3 Sc15 2.52(2) . ?
Sc4 Sc16 1.35(3) . ?
Sc4 Sc9 1.69(2) . ?
Sc4 Sc13 1.92(3) . ?
Sc4 Sc17 2.03(2) . ?
Sc4 Sc15 2.20(2) . ?
Sc4 Sc7 2.264(19) . ?
Sc4 Sc22 2.32(3) . ?
Sc4 Sc18 2.39(2) . ?
Sc4 Sc14 2.43(2) . ?
Sc4 Sc12 2.677(16) . ?
Sc5 Sc12 0.951(19) . ?
Sc5 Sc22 1.02(4) . ?
Sc5 Sc11 1.01(3) . ?
Sc5 Sc24 1.27(2) . ?
Sc5 Sc20 1.59(3) . ?
Sc5 Sc19 1.76(3) . ?
Sc5 Sc7 2.25(2) . ?
Sc5 Sc25 2.32(4) . ?
Sc5 Sc16 2.37(3) . ?
Sc5 Sc23 2.67(2) . ?
Sc6 Sc10 0.65(2) . ?
Sc6 Sc23 0.792(18) . ?
Sc6 Sc21 0.97(3) . ?
Sc6 Sc8 1.12(3) . ?
Sc6 Sc19 1.84(3) . ?
Sc6 Sc18 2.12(2) . ?
Sc6 Sc24 2.13(2) . ?
Sc6 Sc14 2.644(18) . ?
Sc6 Sc13 2.710(19) . ?
Sc6 Sc11 3.220(19) . ?
Sc7 Sc17 0.775(16) . ?
Sc7 Sc16 1.19(3) . ?
Sc7 Sc20 1.28(2) . ?
Sc7 Sc12 1.421(18) . ?
Sc7 Sc25 1.62(3) . ?
Sc7 Sc11 1.82(2) . ?
Sc7 Sc15 1.919(19) . ?
Sc7 Sc22 1.99(4) . ?
Sc8 Sc21 0.90(2) . ?
Sc8 Sc23 1.44(4) . ?
Sc8 Sc24 1.65(3) . ?
Sc8 Sc10 1.66(3) . ?
Sc8 Sc19 1.97(4) . ?
Sc8 Sc25 2.53(3) . ?
Sc8 Sc11 2.52(3) . ?
Sc8 Sc20 2.80(2) . ?
Sc8 Sc18 2.88(3) . ?
Sc9 Sc14 0.939(16) . ?
Sc9 Sc13 0.96(2) . ?
Sc9 Sc15 1.37(2) . ?
Sc9 Sc18 1.649(17) . ?
Sc9 Sc17 2.192(17) . ?
Sc9 Sc16 2.54(2) . ?
Sc9 Sc10 2.81(2) . ?
Sc9 Sc21 3.070(18) . ?
Sc10 Sc23 1.10(3) . ?
Sc10 Sc21 1.23(4) . ?
Sc10 Sc18 1.51(3) . ?
Sc10 Sc19 2.10(3) . ?
Sc10 Sc13 2.15(3) . ?
Sc10 Sc14 2.20(2) . ?
Sc10 Sc24 2.55(2) . ?
Sc11 Sc20 0.715(19) . ?
Sc11 Sc12 1.02(2) . ?
Sc11 Sc25 1.41(4) . ?
Sc11 Sc24 1.58(3) . ?
Sc11 Sc22 1.70(5) . ?
Sc11 Sc17 2.40(3) . ?
Sc11 Sc19 2.38(3) . ?
Sc11 Sc16 2.44(3) . ?
Sc12 Sc22 0.92(4) . ?
Sc12 Sc20 1.15(2) . ?
Sc12 Sc16 1.64(2) . ?
Sc12 Sc25 1.99(4) . ?
Sc12 Sc24 2.090(18) . ?
Sc12 Sc17 2.10(2) . ?
Sc12 Sc19 2.53(2) . ?
Sc13 Sc18 0.750(16) . ?
Sc13 Sc14 0.97(2) . ?
Sc13 Sc15 2.19(3) . ?
Sc13 Sc21 2.75(2) . ?
Sc13 Sc17 2.90(2) . ?
Sc13 Sc23 2.902(18) . ?
Sc13 Sc16 2.97(2) . ?
Sc14 Sc18 1.29(2) . ?
Sc14 Sc15 1.68(2) . ?
Sc14 Sc21 2.34(2) . ?
Sc14 Sc17 2.666(19) . ?
Sc14 Sc23 3.042(18) . ?
Sc15 Sc17 1.21(2) . ?
Sc15 Sc25 2.20(3) . ?
Sc15 Sc16 2.26(2) . ?
Sc15 Sc20 2.60(2) . ?
Sc15 Sc18 2.70(2) . ?
Sc16 Sc17 1.37(3) . ?
Sc16 Sc22 1.62(3) . ?
Sc16 Sc20 2.18(3) . ?
Sc17 Sc20 1.83(2) . ?
Sc17 Sc25 1.81(3) . ?
Sc17 Sc22 2.51(4) . ?
Sc18 Sc21 2.33(3) . ?
Sc18 Sc23 2.336(19) . ?
Sc18 Sc19 2.93(2) . ?
Sc19 Sc24 1.05(3) . ?
Sc19 Sc23 1.13(3) . ?
Sc19 Sc22 2.10(3) . ?
Sc19 Sc21 2.49(4) . ?
Sc19 Sc20 2.91(3) . ?
Sc20 Sc25 0.92(3) . ?
Sc20 Sc22 1.97(4) . ?
Sc20 Sc24 2.20(2) . ?
Sc21 Sc23 1.66(3) . ?
Sc21 Sc24 2.42(2) . ?
Sc21 Sc25 2.81(3) . ?
Sc22 Sc24 2.06(4) . ?
Sc23 Sc24 1.70(2) . ?
Sc24 Sc25 2.51(3) . ?
C1 C45 1.419(15) . ?
C1 C5 1.446(15) . ?
C1 C2 1.492(17) . ?
C2 C42 1.325(16) . ?
C2 C3 1.355(18) . ?
C3 C80 1.480(17) . ?
C3 C4 1.512(18) . ?
C4 C9 1.385(16) . ?
C4 C5 1.409(16) . ?
C5 C6 1.353(16) . ?
C6 C7 1.391(14) . ?
C6 C67 1.471(16) . ?
C7 C66 1.420(10) . ?
C7 C8 1.427(11) . ?
C8 C13 1.408(11) . ?
C8 C9 1.427(15) . ?
C9 C10 1.284(15) . ?
C10 C68 1.439(12) . ?
C10 C11 1.478(12) . ?
C11 C12 1.332(16) . ?
C11 C70 1.427(11) . ?
C12 C13 1.365(14) . ?
C12 C17 1.415(17) . ?
C13 C14 1.431(11) . ?
C14 C15 1.346(13) . ?
C14 C66 1.468(10) . ?
C15 C59 1.368(15) . ?
C15 C16 1.515(16) . ?
C16 C20 1.353(16) . ?
C16 C17 1.471(16) . ?
C17 C18 1.308(15) . ?
C18 C19 1.456(14) . ?
C18 C71 1.459(15) . ?
C19 C20 1.331(15) . ?
C19 C24 1.484(14) . ?
C20 C21 1.571(16) . ?
C21 C22 1.225(16) . ?
C21 C58 1.402(15) . ?
C22 C55 1.388(18) . ?
C22 C23 1.573(16) . ?
C23 C24 1.389(14) . ?
C23 C28 1.408(16) . ?
C24 C25 1.390(13) . ?
C25 C26 1.448(13) . ?
C25 C72 1.554(14) . ?
C26 C78 1.378(14) . ?
C26 C27 1.387(15) . ?
C27 C28 1.426(17) . ?
C27 C32 1.460(14) . ?
C28 C29 1.378(18) . ?
C29 C30 1.332(19) . ?
C29 C55 1.54(2) . ?
C30 C54 1.225(19) . ?
C30 C31 1.479(19) . ?
C31 C35 1.409(12) . ?
C31 C32 1.452(12) . ?
C32 C33 1.451(11) . ?
C33 C77 1.278(15) . ?
C33 C34 1.473(11) . ?
C34 C39 1.410(14) . ?
C34 C35 1.461(11) . ?
C35 C36 1.387(16) . ?
C36 C37 1.365(17) . ?
C36 C50 1.455(17) . ?
C37 C49 1.270(15) . ?
C37 C38 1.476(16) . ?
C38 C43 1.338(14) . ?
C38 C39 1.420(15) . ?
C39 C40 1.353(15) . ?
C40 C41 1.430(11) . ?
C40 C76 1.482(11) . ?
C41 C79 1.397(11) . ?
C41 C42 1.444(13) . ?
C42 C43 1.514(16) . ?
C43 C44 1.359(15) . ?
C44 C49 1.414(15) . ?
C44 C45 1.450(15) . ?
C45 C46 1.309(15) . ?
C46 C67 1.493(16) . ?
C46 C47 1.596(16) . ?
C47 C48 1.293(16) . ?
C47 C63 1.415(17) . ?
C48 C51 1.351(16) . ?
C48 C49 1.524(17) . ?
C50 C51 1.452(13) . ?
C50 C54 1.469(13) . ?
C51 C52 1.488(12) . ?
C52 C62 1.330(16) . ?
C52 C53 1.508(12) . ?
C53 C56 1.275(15) . ?
C53 C54 1.477(13) . ?
C55 C56 1.537(18) . ?
C56 C57 1.462(16) . ?
C57 C61 1.371(15) . ?
C57 C58 1.374(15) . ?
C58 C59 1.472(14) . ?
C59 C60 1.505(14) . ?
C60 C65 1.362(14) . ?
C60 C61 1.448(14) . ?
C61 C62 1.452(16) . ?
C62 C63 1.485(16) . ?
C63 C64 1.622(18) . ?
C64 C67 1.440(17) . ?
C64 C65 1.463(15) . ?
C65 C66 1.289(14) . ?
C68 C80 1.247(15) . ?
C68 C69 1.487(11) . ?
C69 C74 1.355(16) . ?
C69 C70 1.448(11) . ?
C70 C71 1.326(14) . ?
C71 C72 1.409(14) . ?
C72 C73 1.394(16) . ?
C73 C74 1.450(16) . ?
C73 C78 1.495(17) . ?
C74 C75 1.344(15) . ?
C75 C79 1.429(11) . ?
C75 C76 1.456(12) . ?
C76 C77 1.470(14) . ?
C77 C78 1.420(15) . ?
C79 C80 1.421(15) . ?
Ni1P N2P 1.955(2) . ?
Ni1P N4P 1.957(2) . ?
Ni1P N1P 1.959(2) . ?
Ni1P N3P 1.962(2) . ?
N1P C1P 1.374(3) . ?
N1P C4P 1.378(3) . ?
N2P C6P 1.376(3) . ?
N2P C9P 1.379(3) . ?
N3P C14P 1.375(3) . ?
N3P C11P 1.378(3) . ?
N4P C16P 1.375(4) . ?
N4P C19P 1.378(3) . ?
C1P C20P 1.374(4) . ?
C1P C2P 1.452(4) . ?
C2P C3P 1.359(4) . ?
C2P C21P 1.497(4) . ?
C3P C4P 1.451(3) . ?
C3P C23P 1.496(4) . ?
C4P C5P 1.370(4) . ?
C5P C6P 1.380(3) . ?
C6P C7P 1.443(3) . ?
C7P C8P 1.363(4) . ?
C7P C25P 1.492(4) . ?
C8P C9P 1.438(4) . ?
C8P C27P 1.498(4) . ?
C9P C10P 1.375(4) . ?
C10P C11P 1.370(4) . ?
C11P C12P 1.447(4) . ?
C12P C13P 1.365(5) . ?
C12P C29P 1.497(4) . ?
C13P C14P 1.441(4) . ?
C13P C31P 1.496(4) . ?
C14P C15P 1.386(4) . ?
C15P C16P 1.368(4) . ?
C16P C17P 1.447(4) . ?
C17P C18P 1.342(5) . ?
C17P C33P 1.501(5) . ?
C18P C19P 1.440(4) . ?
C18P C35P 1.500(4) . ?
C19P C20P 1.372(4) . ?
C21P C22P 1.527(5) . ?
C23P C24P 1.522(6) . ?
C25P C26P 1.517(6) . ?
C27P C28P 1.526(6) . ?
C29P C30P 1.531(7) . ?
C31P C32P 1.520(8) . ?
C33P C34P 1.510(8) . ?
C35P C36P 1.510(6) . ?
C1S C6S 1.297(9) . ?
C1S C2S 1.363(9) . ?
C2S C3S 1.317(10) . ?
C3S C4S 1.342(12) . ?
C4S C5S 1.399(12) . ?
C5S C6S 1.443(11) . ?
C7S C8S 1.3900 . ?
C7S C12S 1.3900 . ?
C8S C9S 1.3900 . ?
C9S C10S 1.3900 . ?
C10S C11S 1.3900 . ?
C11S C12S 1.3900 . ?

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
Sc4 Sc1 Sc9 140.1(13) . . ?
Sc4 Sc1 Sc13 137.0(12) . . ?
Sc9 Sc1 Sc13 53.7(11) . . ?
Sc4 Sc1 Sc14 137.6(9) . . ?
Sc9 Sc1 Sc14 23.4(7) . . ?
Sc13 Sc1 Sc14 33.5(10) . . ?
Sc4 Sc1 Sc18 121.5(10) . . ?
Sc9 Sc1 Sc18 65.8(10) . . ?
Sc13 Sc1 Sc18 15.7(9) . . ?
Sc14 Sc1 Sc18 43.2(8) . . ?
Sc4 Sc1 Sc15 98.1(11) . . ?
Sc9 Sc1 Sc15 42.9(8) . . ?
Sc13 Sc1 Sc15 88.5(11) . . ?
Sc14 Sc1 Sc15 55.6(8) . . ?
Sc18 Sc1 Sc15 93.9(8) . . ?
Sc4 Sc1 Sc16 28.5(12) . . ?
Sc9 Sc1 Sc16 111.8(10) . . ?
Sc13 Sc1 Sc16 131.7(7) . . ?
Sc14 Sc1 Sc16 114.6(8) . . ?
Sc18 Sc1 Sc16 120.6(6) . . ?
Sc15 Sc1 Sc16 69.7(8) . . ?
Sc4 Sc1 Sc17 65.3(11) . . ?
Sc9 Sc1 Sc17 75.6(9) . . ?
Sc13 Sc1 Sc17 113.4(9) . . ?
Sc14 Sc1 Sc17 84.3(8) . . ?
Sc18 Sc1 Sc17 111.9(6) . . ?
Sc15 Sc1 Sc17 32.9(7) . . ?
Sc16 Sc1 Sc17 36.9(8) . . ?
Sc4 Sc1 Sc7 53.2(10) . . ?
Sc9 Sc1 Sc7 87.0(8) . . ?
Sc13 Sc1 Sc7 115.2(6) . . ?
Sc14 Sc1 Sc7 91.2(6) . . ?
Sc18 Sc1 Sc7 109.5(5) . . ?
Sc15 Sc1 Sc7 45.6(6) . . ?
Sc16 Sc1 Sc7 24.9(7) . . ?
Sc17 Sc1 Sc7 14.8(5) . . ?
Sc4 Sc1 Sc3 35.7(10) . . ?
Sc9 Sc1 Sc3 104.6(8) . . ?
Sc13 Sc1 Sc3 121.6(6) . . ?
Sc14 Sc1 Sc3 104.9(7) . . ?
Sc18 Sc1 Sc3 111.2(6) . . ?
Sc15 Sc1 Sc3 64.1(7) . . ?
Sc16 Sc1 Sc3 10.4(6) . . ?
Sc17 Sc1 Sc3 32.7(7) . . ?
Sc7 Sc1 Sc3 18.5(4) . . ?
Sc4 Sc1 Sc10 104.0(9) . . ?
Sc9 Sc1 Sc10 68.8(8) . . ?
Sc13 Sc1 Sc10 34.6(6) . . ?
Sc14 Sc1 Sc10 45.9(6) . . ?
Sc18 Sc1 Sc10 22.6(5) . . ?
Sc15 Sc1 Sc10 82.4(7) . . ?
Sc16 Sc1 Sc10 98.3(6) . . ?
Sc17 Sc1 Sc10 92.2(6) . . ?
Sc7 Sc1 Sc10 87.7(5) . . ?
Sc3 Sc1 Sc10 88.7(6) . . ?
Sc4 Sc1 Sc22 35.1(9) . . ?
Sc9 Sc1 Sc22 113.5(9) . . ?
Sc13 Sc1 Sc22 106.0(8) . . ?
Sc14 Sc1 Sc22 103.4(8) . . ?
Sc18 Sc1 Sc22 92.2(7) . . ?
Sc15 Sc1 Sc22 81.4(9) . . ?
Sc16 Sc1 Sc22 30.8(7) . . ?
Sc17 Sc1 Sc22 55.2(9) . . ?
Sc7 Sc1 Sc22 40.5(8) . . ?
Sc3 Sc1 Sc22 25.7(8) . . ?
Sc10 Sc1 Sc22 71.4(7) . . ?
Sc24 Sc2 Sc19 71.9(18) . . ?
Sc24 Sc2 Sc23 138(2) . . ?
Sc19 Sc2 Sc23 71(2) . . ?
Sc24 Sc2 Sc8 115(2) . . ?
Sc19 Sc2 Sc8 143.3(17) . . ?
Sc23 Sc2 Sc8 86(2) . . ?
Sc24 Sc2 Sc6 147.3(10) . . ?
Sc19 Sc2 Sc6 101.9(19) . . ?
Sc23 Sc2 Sc6 34.0(13) . . ?
Sc8 Sc2 Sc6 51.6(15) . . ?
Sc24 Sc2 Sc21 126.3(15) . . ?
Sc19 Sc2 Sc21 123.5(15) . . ?
Sc23 Sc2 Sc21 64.3(15) . . ?
Sc8 Sc2 Sc21 22.2(15) . . ?
Sc6 Sc2 Sc21 31.3(9) . . ?
Sc24 Sc2 Sc10 135.9(10) . . ?
Sc19 Sc2 Sc10 88.7(17) . . ?
Sc23 Sc2 Sc10 27.1(14) . . ?
Sc8 Sc2 Sc10 60.7(16) . . ?
Sc6 Sc2 Sc10 14.9(9) . . ?
Sc21 Sc2 Sc10 38.6(10) . . ?
Sc24 Sc2 Sc5 18.8(10) . . ?
Sc19 Sc2 Sc5 60.2(17) . . ?
Sc23 Sc2 Sc5 120.0(13) . . ?
Sc8 Sc2 Sc5 114.5(14) . . ?
Sc6 Sc2 Sc5 130.9(7) . . ?
Sc21 Sc2 Sc5 118.1(8) . . ?
Sc10 Sc2 Sc5 118.0(8) . . ?
Sc24 Sc2 Sc11 28.2(12) . . ?
Sc19 Sc2 Sc11 85.2(16) . . ?
Sc23 Sc2 Sc11 129.7(8) . . ?
Sc8 Sc2 Sc11 89.4(14) . . ?
Sc6 Sc2 Sc11 121.7(8) . . ?
Sc21 Sc2 Sc11 98.1(9) . . ?
Sc10 Sc2 Sc11 114.2(7) . . ?
Sc5 Sc2 Sc11 26.5(8) . . ?
Sc24 Sc2 Sc22 38.7(13) . . ?
Sc19 Sc2 Sc22 46.5(16) . . ?
Sc23 Sc2 Sc22 99.9(13) . . ?
Sc8 Sc2 Sc22 115.3(12) . . ?
Sc6 Sc2 Sc22 114.0(8) . . ?
Sc21 Sc2 Sc22 110.5(8) . . ?
Sc10 Sc2 Sc22 99.9(9) . . ?
Sc5 Sc2 Sc22 20.2(8) . . ?
Sc11 Sc2 Sc22 39.6(11) . . ?
Sc24 Sc2 Sc12 29.9(7) . . ?
Sc19 Sc2 Sc12 65.6(14) . . ?
Sc23 Sc2 Sc12 113.9(9) . . ?
Sc8 Sc2 Sc12 101.8(11) . . ?
Sc6 Sc2 Sc12 117.8(5) . . ?
Sc21 Sc2 Sc12 103.6(6) . . ?
Sc10 Sc2 Sc12 106.1(6) . . ?
Sc5 Sc2 Sc12 14.6(5) . . ?
Sc11 Sc2 Sc12 20.5(6) . . ?
Sc22 Sc2 Sc12 19.3(8) . . ?
Sc24 Sc2 Sc20 39.7(11) . . ?
Sc19 Sc2 Sc20 89.0(14) . . ?
Sc23 Sc2 Sc20 121.5(7) . . ?
Sc8 Sc2 Sc20 79.9(12) . . ?
Sc6 Sc2 Sc20 110.1(7) . . ?
Sc21 Sc2 Sc20 86.8(7) . . ?
Sc10 Sc2 Sc20 103.4(6) . . ?
Sc5 Sc2 Sc20 34.7(8) . . ?
Sc11 Sc2 Sc20 11.7(5) . . ?
Sc22 Sc2 Sc20 42.6(9) . . ?
Sc12 Sc2 Sc20 23.9(4) . . ?
Sc16 Sc3 Sc7 95(3) . . ?
Sc16 Sc3 Sc12 141(2) . . ?
Sc7 Sc3 Sc12 100(3) . . ?
Sc16 Sc3 Sc22 101(3) . . ?
Sc7 Sc3 Sc22 133(3) . . ?
Sc12 Sc3 Sc22 44.7(19) . . ?
Sc16 Sc3 Sc17 69(2) . . ?
Sc7 Sc3 Sc17 26.1(12) . . ?
Sc12 Sc3 Sc17 118(2) . . ?
Sc22 Sc3 Sc17 132.0(14) . . ?
Sc16 Sc3 Sc20 135(2) . . ?
Sc7 Sc3 Sc20 53.6(18) . . ?
Sc12 Sc3 Sc20 46.1(15) . . ?
Sc22 Sc3 Sc20 85(2) . . ?
Sc17 Sc3 Sc20 74.2(14) . . ?
Sc16 Sc3 Sc11 138.2(17) . . ?
Sc7 Sc3 Sc11 76(2) . . ?
Sc12 Sc3 Sc11 24.7(13) . . ?
Sc22 Sc3 Sc11 63(2) . . ?
Sc17 Sc3 Sc11 93.1(15) . . ?
Sc20 Sc3 Sc11 22.7(8) . . ?
Sc16 Sc3 Sc5 125(2) . . ?
Sc7 Sc3 Sc5 106(2) . . ?
Sc12 Sc3 Sc5 16.2(9) . . ?
Sc22 Sc3 Sc5 32(2) . . ?
Sc17 Sc3 Sc5 117.2(15) . . ?
Sc20 Sc3 Sc5 54.3(12) . . ?
Sc11 Sc3 Sc5 31.7(10) . . ?
Sc16 Sc3 Sc4 20.7(13) . . ?
Sc7 Sc3 Sc4 94.9(16) . . ?
Sc12 Sc3 Sc4 121.6(12) . . ?
Sc22 Sc3 Sc4 85.6(17) . . ?
Sc17 Sc3 Sc4 69.4(11) . . ?
Sc20 Sc3 Sc4 120.3(9) . . ?
Sc11 Sc3 Sc4 118.2(8) . . ?
Sc5 Sc3 Sc4 105.7(9) . . ?
Sc16 Sc3 Sc25 116(2) . . ?
Sc7 Sc3 Sc25 37.1(16) . . ?
Sc12 Sc3 Sc25 64.0(16) . . ?
Sc22 Sc3 Sc25 97(2) . . ?
Sc17 Sc3 Sc25 54.4(12) . . ?
Sc20 Sc3 Sc25 20.3(8) . . ?
Sc11 Sc3 Sc25 39.3(12) . . ?
Sc5 Sc3 Sc25 68.5(13) . . ?
Sc4 Sc3 Sc25 104.4(9) . . ?
Sc16 Sc3 Sc15 62(2) . . ?
Sc7 Sc3 Sc15 38.7(11) . . ?
Sc12 Sc3 Sc15 111.7(14) . . ?
Sc22 Sc3 Sc15 115.6(12) . . ?
Sc17 Sc3 Sc15 17.5(6) . . ?
Sc20 Sc3 Sc15 75.0(10) . . ?
Sc11 Sc3 Sc15 89.2(10) . . ?
Sc5 Sc3 Sc15 106.7(9) . . ?
Sc4 Sc3 Sc15 56.9(8) . . ?
Sc25 Sc3 Sc15 54.9(8) . . ?
Sc16 Sc3 Sc1 29.9(14) . . ?
Sc7 Sc3 Sc1 81.0(13) . . ?
Sc12 Sc3 Sc1 118.3(9) . . ?
Sc22 Sc3 Sc1 90.7(14) . . ?
Sc17 Sc3 Sc1 56.5(8) . . ?
Sc20 Sc3 Sc1 106.7(8) . . ?
Sc11 Sc3 Sc1 108.7(7) . . ?
Sc5 Sc3 Sc1 103.8(7) . . ?
Sc4 Sc3 Sc1 15.0(6) . . ?
Sc25 Sc3 Sc1 89.8(7) . . ?
Sc15 Sc3 Sc1 42.5(5) . . ?
Sc1 Sc4 Sc16 133.0(19) . . ?
Sc1 Sc4 Sc9 20.0(7) . . ?
Sc16 Sc4 Sc9 113.2(14) . . ?
Sc1 Sc4 Sc13 24.4(8) . . ?
Sc16 Sc4 Sc13 129.9(13) . . ?
Sc9 Sc4 Sc13 30.0(7) . . ?
Sc1 Sc4 Sc3 129.3(15) . . ?
Sc16 Sc4 Sc3 11.3(8) . . ?
Sc9 Sc4 Sc3 109.4(10) . . ?
Sc13 Sc4 Sc3 121.3(9) . . ?
Sc1 Sc4 Sc17 91.0(14) . . ?
Sc16 Sc4 Sc17 42.1(11) . . ?
Sc9 Sc4 Sc17 71.5(9) . . ?
Sc13 Sc4 Sc17 94.4(10) . . ?
Sc3 Sc4 Sc17 41.9(8) . . ?
Sc1 Sc4 Sc15 58.1(11) . . ?
Sc16 Sc4 Sc15 74.9(12) . . ?
Sc9 Sc4 Sc15 38.6(6) . . ?
Sc13 Sc4 Sc15 63.8(9) . . ?
Sc3 Sc4 Sc15 72.9(9) . . ?
Sc17 Sc4 Sc15 33.0(7) . . ?
Sc1 Sc4 Sc7 108.3(13) . . ?
Sc16 Sc4 Sc7 25.0(10) . . ?
Sc9 Sc4 Sc7 88.4(8) . . ?
Sc13 Sc4 Sc7 106.1(9) . . ?
Sc3 Sc4 Sc7 22.3(5) . . ?
Sc17 Sc4 Sc7 19.8(5) . . ?
Sc15 Sc4 Sc7 50.8(7) . . ?
Sc1 Sc4 Sc22 132.1(13) . . ?
Sc16 Sc4 Sc22 42.9(11) . . ?
Sc9 Sc4 Sc22 118.2(11) . . ?
Sc13 Sc4 Sc22 111.0(9) . . ?
Sc3 Sc4 Sc22 34.0(11) . . ?
Sc17 Sc4 Sc22 70.3(12) . . ?
Sc15 Sc4 Sc22 93.4(12) . . ?
Sc7 Sc4 Sc22 51.4(11) . . ?
Sc1 Sc4 Sc18 39.9(8) . . ?
Sc16 Sc4 Sc18 125.5(11) . . ?
Sc9 Sc4 Sc18 43.5(6) . . ?
Sc13 Sc4 Sc18 15.6(5) . . ?
Sc3 Sc4 Sc18 115.1(8) . . ?
Sc17 Sc4 Sc18 98.1(8) . . ?
Sc15 Sc4 Sc18 71.7(7) . . ?
Sc7 Sc4 Sc18 105.1(7) . . ?
Sc22 Sc4 Sc18 97.9(8) . . ?
Sc1 Sc4 Sc14 28.0(7) . . ?
Sc16 Sc4 Sc14 110.7(13) . . ?
Sc9 Sc4 Sc14 16.3(4) . . ?
Sc13 Sc4 Sc14 21.8(6) . . ?
Sc3 Sc4 Sc14 104.1(9) . . ?
Sc17 Sc4 Sc14 72.7(8) . . ?
Sc15 Sc4 Sc14 42.1(7) . . ?
Sc7 Sc4 Sc14 85.9(7) . . ?
Sc22 Sc4 Sc14 104.8(10) . . ?
Sc18 Sc4 Sc14 31.0(6) . . ?
Sc1 Sc4 Sc12 124.5(11) . . ?
Sc16 Sc4 Sc12 29.5(7) . . ?
Sc9 Sc4 Sc12 106.6(7) . . ?
Sc13 Sc4 Sc12 109.4(6) . . ?
Sc3 Sc4 Sc12 18.4(5) . . ?
Sc17 Sc4 Sc12 50.8(6) . . ?
Sc15 Sc4 Sc12 75.9(6) . . ?
Sc7 Sc4 Sc12 32.1(5) . . ?
Sc22 Sc4 Sc12 19.5(9) . . ?
Sc18 Sc4 Sc12 100.1(5) . . ?
Sc14 Sc4 Sc12 96.7(6) . . ?
Sc12 Sc5 Sc22 55(2) . . ?
Sc12 Sc5 Sc11 62.7(17) . . ?
Sc22 Sc5 Sc11 114(3) . . ?
Sc12 Sc5 Sc24 139(2) . . ?
Sc22 Sc5 Sc24 128(2) . . ?
Sc11 Sc5 Sc24 87(2) . . ?
Sc12 Sc5 Sc20 45.4(13) . . ?
Sc22 Sc5 Sc20 95(2) . . ?
Sc11 Sc5 Sc20 18.8(13) . . ?
Sc24 Sc5 Sc20 99.3(17) . . ?
Sc12 Sc5 Sc19 135.0(14) . . ?
Sc22 Sc5 Sc19 94(2) . . ?
Sc11 Sc5 Sc19 116(2) . . ?
Sc24 Sc5 Sc19 36.1(13) . . ?
Sc20 Sc5 Sc19 120.3(14) . . ?
Sc12 Sc5 Sc3 16.9(10) . . ?
Sc22 Sc5 Sc3 42(2) . . ?
Sc11 Sc5 Sc3 72.6(17) . . ?
Sc24 Sc5 Sc3 133.0(12) . . ?
Sc20 Sc5 Sc3 53.9(11) . . ?
Sc19 Sc5 Sc3 119.2(11) . . ?
Sc12 Sc5 Sc2 132.9(14) . . ?
Sc22 Sc5 Sc2 116.2(18) . . ?
Sc11 Sc5 Sc2 89.9(18) . . ?
Sc24 Sc5 Sc2 12.1(7) . . ?
Sc20 Sc5 Sc2 98.9(12) . . ?
Sc19 Sc5 Sc2 28.0(11) . . ?
Sc3 Sc5 Sc2 123.4(8) . . ?
Sc12 Sc5 Sc7 22.3(9) . . ?
Sc22 Sc5 Sc7 62(2) . . ?
Sc11 Sc5 Sc7 52.3(15) . . ?
Sc24 Sc5 Sc7 117.3(13) . . ?
Sc20 Sc5 Sc7 33.6(7) . . ?
Sc19 Sc5 Sc7 117.5(9) . . ?
Sc3 Sc5 Sc7 21.6(7) . . ?
Sc2 Sc5 Sc7 110.7(8) . . ?
Sc12 Sc5 Sc25 58.6(16) . . ?
Sc22 Sc5 Sc25 101(2) . . ?
Sc11 Sc5 Sc25 20.0(10) . . ?
Sc24 Sc5 Sc25 83.4(14) . . ?
Sc20 Sc5 Sc25 16.8(7) . . ?
Sc19 Sc5 Sc25 103.9(13) . . ?
Sc3 Sc5 Sc25 63.0(12) . . ?
Sc2 Sc5 Sc25 82.3(10) . . ?
Sc7 Sc5 Sc25 41.4(9) . . ?
Sc12 Sc5 Sc16 31.9(11) . . ?
Sc22 Sc5 Sc16 33(2) . . ?
Sc11 Sc5 Sc16 81.8(16) . . ?
Sc24 Sc5 Sc16 124.0(10) . . ?
Sc20 Sc5 Sc16 63.1(10) . . ?
Sc19 Sc5 Sc16 104.7(11) . . ?
Sc3 Sc5 Sc16 15.0(6) . . ?
Sc2 Sc5 Sc16 112.9(7) . . ?
Sc7 Sc5 Sc16 29.6(7) . . ?
Sc25 Sc5 Sc16 68.4(10) . . ?
Sc12 Sc5 Sc23 123.9(10) . . ?
Sc22 Sc5 Sc23 97.4(17) . . ?
Sc11 Sc5 Sc23 99.1(15) . . ?
Sc24 Sc5 Sc23 30.6(8) . . ?
Sc20 Sc5 Sc23 102.6(10) . . ?
Sc19 Sc5 Sc23 17.7(10) . . ?
Sc3 Sc5 Sc23 110.5(7) . . ?
Sc2 Sc5 Sc23 18.8(5) . . ?
Sc7 Sc5 Sc23 103.5(6) . . ?
Sc25 Sc5 Sc23 86.2(8) . . ?
Sc16 Sc5 Sc23 97.9(7) . . ?
Sc10 Sc6 Sc23 99(4) . . ?
Sc10 Sc6 Sc21 97(3) . . ?
Sc23 Sc6 Sc21 142(2) . . ?
Sc10 Sc6 Sc8 137(2) . . ?
Sc23 Sc6 Sc8 96(2) . . ?
Sc21 Sc6 Sc8 50.7(17) . . ?
Sc10 Sc6 Sc2 132(3) . . ?
Sc23 Sc6 Sc2 44.6(16) . . ?
Sc21 Sc6 Sc2 100.5(17) . . ?
Sc8 Sc6 Sc2 51.5(15) . . ?
Sc10 Sc6 Sc19 104(3) . . ?
Sc23 Sc6 Sc19 19.9(15) . . ?
Sc21 Sc6 Sc19 121.7(17) . . ?
Sc8 Sc6 Sc19 79.2(19) . . ?
Sc2 Sc6 Sc19 30.5(11) . . ?
Sc10 Sc6 Sc18 17.0(13) . . ?
Sc23 Sc6 Sc18 95.4(19) . . ?
Sc21 Sc6 Sc18 89.8(14) . . ?
Sc8 Sc6 Sc18 122.2(10) . . ?
Sc2 Sc6 Sc18 119.2(9) . . ?
Sc19 Sc6 Sc18 95.3(11) . . ?
Sc10 Sc6 Sc24 123(2) . . ?
Sc23 Sc6 Sc24 47.5(16) . . ?
Sc21 Sc6 Sc24 94.9(15) . . ?
Sc8 Sc6 Sc24 49.7(16) . . ?
Sc2 Sc6 Sc24 12.1(4) . . ?
Sc19 Sc6 Sc24 29.5(10) . . ?
Sc18 Sc6 Sc24 108.9(6) . . ?
Sc10 Sc6 Sc14 41(2) . . ?
Sc23 Sc6 Sc14 113.0(15) . . ?
Sc21 Sc6 Sc14 61.7(13) . . ?
Sc8 Sc6 Sc14 96.4(11) . . ?
Sc2 Sc6 Sc14 115.4(5) . . ?
Sc19 Sc6 Sc14 104.1(7) . . ?
Sc18 Sc6 Sc14 28.8(6) . . ?
Sc24 Sc6 Sc14 103.3(5) . . ?
Sc10 Sc6 Sc13 27.9(14) . . ?
Sc23 Sc6 Sc13 96.0(17) . . ?
Sc21 Sc6 Sc13 82.4(13) . . ?
Sc8 Sc6 Sc13 111.1(10) . . ?
Sc2 Sc6 Sc13 112.2(7) . . ?
Sc19 Sc6 Sc13 92.0(9) . . ?
Sc18 Sc6 Sc13 11.2(4) . . ?
Sc24 Sc6 Sc13 101.1(6) . . ?
Sc14 Sc6 Sc13 20.8(5) . . ?
Sc10 Sc6 Sc5 106(2) . . ?
Sc23 Sc6 Sc5 49.1(13) . . ?
Sc21 Sc6 Sc5 92.9(13) . . ?
Sc8 Sc6 Sc5 57.6(15) . . ?
Sc2 Sc6 Sc5 29.4(5) . . ?
Sc19 Sc6 Sc5 29.2(9) . . ?
Sc18 Sc6 Sc5 91.1(6) . . ?
Sc24 Sc6 Sc5 17.9(5) . . ?
Sc14 Sc6 Sc5 86.6(5) . . ?
Sc13 Sc6 Sc5 83.1(5) . . ?
Sc10 Sc6 Sc11 109.8(16) . . ?
Sc23 Sc6 Sc11 67.0(15) . . ?
Sc21 Sc6 Sc11 74.8(13) . . ?
Sc8 Sc6 Sc11 42.8(13) . . ?
Sc2 Sc6 Sc11 36.8(6) . . ?
Sc19 Sc6 Sc11 47.1(10) . . ?
Sc18 Sc6 Sc11 93.1(5) . . ?
Sc24 Sc6 Sc11 25.4(6) . . ?
Sc14 Sc6 Sc11 80.1(5) . . ?
Sc13 Sc6 Sc11 83.0(5) . . ?
Sc5 Sc6 Sc11 18.3(5) . . ?
Sc17 Sc7 Sc3 124(3) . . ?
Sc17 Sc7 Sc16 86(2) . . ?
Sc3 Sc7 Sc16 38.9(14) . . ?
Sc17 Sc7 Sc20 125(2) . . ?
Sc3 Sc7 Sc20 93(2) . . ?
Sc16 Sc7 Sc20 124.1(16) . . ?
Sc17 Sc7 Sc12 144.9(14) . . ?
Sc3 Sc7 Sc12 43.5(17) . . ?
Sc16 Sc7 Sc12 77.5(14) . . ?
Sc20 Sc7 Sc12 49.9(11) . . ?
Sc17 Sc7 Sc25 92(2) . . ?
Sc3 Sc7 Sc25 124(2) . . ?
Sc16 Sc7 Sc25 139.3(12) . . ?
Sc20 Sc7 Sc25 34.4(11) . . ?
Sc12 Sc7 Sc25 81.8(13) . . ?
Sc17 Sc7 Sc11 130.5(16) . . ?
Sc3 Sc7 Sc11 77(2) . . ?
Sc16 Sc7 Sc11 106.6(14) . . ?
Sc20 Sc7 Sc11 17.5(10) . . ?
Sc12 Sc7 Sc11 33.9(9) . . ?
Sc25 Sc7 Sc11 48.0(14) . . ?
Sc17 Sc7 Sc15 19.0(12) . . ?
Sc3 Sc7 Sc15 124.9(16) . . ?
Sc16 Sc7 Sc15 90.4(12) . . ?
Sc20 Sc7 Sc15 107.3(11) . . ?
Sc12 Sc7 Sc15 129.3(6) . . ?
Sc25 Sc7 Sc15 76.3(11) . . ?
Sc11 Sc7 Sc15 111.5(8) . . ?
Sc17 Sc7 Sc22 124.9(18) . . ?
Sc3 Sc7 Sc22 28.8(16) . . ?
Sc16 Sc7 Sc22 54.4(15) . . ?
Sc20 Sc7 Sc22 70.3(15) . . ?
Sc12 Sc7 Sc22 24.7(10) . . ?
Sc25 Sc7 Sc22 96.5(15) . . ?
Sc11 Sc7 Sc22 52.8(14) . . ?
Sc15 Sc7 Sc22 114.8(9) . . ?
Sc17 Sc7 Sc5 132.5(12) . . ?
Sc3 Sc7 Sc5 52.7(18) . . ?
Sc16 Sc7 Sc5 80.7(13) . . ?
Sc20 Sc7 Sc5 43.6(11) . . ?
Sc12 Sc7 Sc5 14.7(5) . . ?
Sc25 Sc7 Sc5 71.4(13) . . ?
Sc11 Sc7 Sc5 26.0(9) . . ?
Sc15 Sc7 Sc5 115.5(6) . . ?
Sc22 Sc7 Sc5 26.8(12) . . ?
Sc17 Sc7 Sc4 62.8(17) . . ?
Sc3 Sc7 Sc4 62.8(15) . . ?
Sc16 Sc7 Sc4 28.6(10) . . ?
Sc20 Sc7 Sc4 121.9(8) . . ?
Sc12 Sc7 Sc4 90.2(9) . . ?
Sc25 Sc7 Sc4 118.6(8) . . ?
Sc11 Sc7 Sc4 107.7(9) . . ?
Sc15 Sc7 Sc4 63.0(8) . . ?
Sc22 Sc7 Sc4 65.7(11) . . ?
Sc5 Sc7 Sc4 86.5(8) . . ?
Sc17 Sc7 Sc1 47.4(15) . . ?
Sc3 Sc7 Sc1 80.4(14) . . ?
Sc16 Sc7 Sc1 47.0(9) . . ?
Sc20 Sc7 Sc1 118.7(6) . . ?
Sc12 Sc7 Sc1 101.1(7) . . ?
Sc25 Sc7 Sc1 105.0(8) . . ?
Sc11 Sc7 Sc1 108.9(6) . . ?
Sc15 Sc7 Sc1 44.7(7) . . ?
Sc22 Sc7 Sc1 78.1(10) . . ?
Sc5 Sc7 Sc1 93.5(6) . . ?
Sc4 Sc7 Sc1 18.5(5) . . ?
Sc21 Sc8 Sc2 130(3) . . ?
Sc21 Sc8 Sc6 56(2) . . ?
Sc2 Sc8 Sc6 77(2) . . ?
Sc21 Sc8 Sc23 88(3) . . ?
Sc2 Sc8 Sc23 43.7(14) . . ?
Sc6 Sc8 Sc23 33.3(11) . . ?
Sc21 Sc8 Sc24 141(3) . . ?
Sc2 Sc8 Sc24 27.0(10) . . ?
Sc6 Sc8 Sc24 99(2) . . ?
Sc23 Sc8 Sc24 66.6(15) . . ?
Sc21 Sc8 Sc10 47(2) . . ?
Sc2 Sc8 Sc10 83(2) . . ?
Sc6 Sc8 Sc10 15.4(7) . . ?
Sc23 Sc8 Sc10 40.9(14) . . ?
Sc24 Sc8 Sc10 100.9(18) . . ?
Sc21 Sc8 Sc19 115(3) . . ?
Sc2 Sc8 Sc19 16.8(9) . . ?
Sc6 Sc8 Sc19 66.8(18) . . ?
Sc23 Sc8 Sc19 34.5(12) . . ?
Sc24 Sc8 Sc19 32.3(9) . . ?
Sc10 Sc8 Sc19 70.1(15) . . ?
Sc21 Sc8 Sc25 98.3(17) . . ?
Sc2 Sc8 Sc25 95.9(15) . . ?
Sc6 Sc8 Sc25 125.6(12) . . ?
Sc23 Sc8 Sc25 116.3(14) . . ?
Sc24 Sc8 Sc25 70.4(12) . . ?
Sc10 Sc8 Sc25 111.5(10) . . ?
Sc19 Sc8 Sc25 91.0(12) . . ?
Sc21 Sc8 Sc11 123.6(15) . . ?
Sc2 Sc8 Sc11 64.2(13) . . ?
Sc6 Sc8 Sc11 119.7(18) . . ?
Sc23 Sc8 Sc11 94.8(15) . . ?
Sc24 Sc8 Sc11 38.0(9) . . ?
Sc10 Sc8 Sc11 112.0(13) . . ?
Sc19 Sc8 Sc11 62.9(11) . . ?
Sc25 Sc8 Sc11 32.5(10) . . ?
Sc21 Sc8 Sc5 126.9(18) . . ?
Sc2 Sc8 Sc5 43.3(11) . . ?
Sc6 Sc8 Sc5 101.9(18) . . ?
Sc23 Sc8 Sc5 73.6(14) . . ?
Sc24 Sc8 Sc5 20.0(6) . . ?
Sc10 Sc8 Sc5 98.3(14) . . ?
Sc19 Sc8 Sc5 40.8(10) . . ?
Sc25 Sc8 Sc5 52.6(10) . . ?
Sc11 Sc8 Sc5 22.0(6) . . ?
Sc21 Sc8 Sc20 111.1(15) . . ?
Sc2 Sc8 Sc20 76.9(13) . . ?
Sc6 Sc8 Sc20 120.3(14) . . ?
Sc23 Sc8 Sc20 101.8(13) . . ?
Sc24 Sc8 Sc20 51.6(9) . . ?
Sc10 Sc8 Sc20 109.3(10) . . ?
Sc19 Sc8 Sc20 73.0(10) . . ?
Sc25 Sc8 Sc20 18.9(7) . . ?
Sc11 Sc8 Sc20 14.2(5) . . ?
Sc5 Sc8 Sc20 33.7(6) . . ?
Sc21 Sc8 Sc18 45(2) . . ?
Sc2 Sc8 Sc18 88.1(15) . . ?
Sc6 Sc8 Sc18 38.6(8) . . ?
Sc23 Sc8 Sc18 53.7(9) . . ?
Sc24 Sc8 Sc18 96.0(11) . . ?
Sc10 Sc8 Sc18 23.5(7) . . ?
Sc19 Sc8 Sc18 71.7(10) . . ?
Sc25 Sc8 Sc18 88.1(7) . . ?
Sc11 Sc8 Sc18 93.9(7) . . ?
Sc5 Sc8 Sc18 86.2(8) . . ?
Sc20 Sc8 Sc18 88.1(6) . . ?
Sc1 Sc9 Sc14 134.2(15) . . ?
Sc1 Sc9 Sc13 77.2(15) . . ?
Sc14 Sc9 Sc13 61.2(13) . . ?
Sc1 Sc9 Sc15 110.6(11) . . ?
Sc14 Sc9 Sc15 91.1(15) . . ?
Sc13 Sc9 Sc15 139.1(10) . . ?
Sc1 Sc9 Sc18 84.3(11) . . ?
Sc14 Sc9 Sc18 51.2(13) . . ?
Sc13 Sc9 Sc18 13.5(9) . . ?
Sc15 Sc9 Sc18 125.9(8) . . ?
Sc1 Sc9 Sc4 19.9(6) . . ?
Sc14 Sc9 Sc4 133.5(9) . . ?
Sc13 Sc9 Sc4 88.3(14) . . ?
Sc15 Sc9 Sc4 91.4(9) . . ?
Sc18 Sc9 Sc4 91.6(9) . . ?
Sc1 Sc9 Sc17 80.9(9) . . ?
Sc14 Sc9 Sc17 110.2(12) . . ?
Sc13 Sc9 Sc17 129.5(8) . . ?
Sc15 Sc9 Sc17 29.9(9) . . ?
Sc18 Sc9 Sc17 120.8(5) . . ?
Sc4 Sc9 Sc17 61.5(8) . . ?
Sc1 Sc9 Sc16 49.0(8) . . ?
Sc14 Sc9 Sc16 124.6(8) . . ?
Sc13 Sc9 Sc16 107.0(11) . . ?
Sc15 Sc9 Sc16 62.5(9) . . ?
Sc18 Sc9 Sc16 104.6(6) . . ?
Sc4 Sc9 Sc16 29.1(7) . . ?
Sc17 Sc9 Sc16 32.7(8) . . ?
Sc1 Sc9 Sc7 74.2(7) . . ?
Sc14 Sc9 Sc7 107.9(10) . . ?
Sc13 Sc9 Sc7 118.2(8) . . ?
Sc15 Sc9 Sc7 38.7(7) . . ?
Sc18 Sc9 Sc7 110.2(5) . . ?
Sc4 Sc9 Sc7 54.3(6) . . ?
Sc17 Sc9 Sc7 11.5(5) . . ?
Sc16 Sc9 Sc7 25.3(6) . . ?
Sc1 Sc9 Sc10 93.9(8) . . ?
Sc14 Sc9 Sc10 41.5(10) . . ?
Sc13 Sc9 Sc10 39.4(9) . . ?
Sc15 Sc9 Sc10 99.9(8) . . ?
Sc18 Sc9 Sc10 26.1(7) . . ?
Sc4 Sc9 Sc10 92.5(6) . . ?
Sc17 Sc9 Sc10 98.7(6) . . ?
Sc16 Sc9 Sc10 93.0(5) . . ?
Sc7 Sc9 Sc10 89.7(5) . . ?
Sc1 Sc9 Sc3 58.7(7) . . ?
Sc14 Sc9 Sc3 113.8(8) . . ?
Sc13 Sc9 Sc3 106.6(10) . . ?
Sc15 Sc9 Sc3 55.1(8) . . ?
Sc18 Sc9 Sc3 101.4(6) . . ?
Sc4 Sc9 Sc3 38.9(6) . . ?
Sc17 Sc9 Sc3 26.4(6) . . ?
Sc16 Sc9 Sc3 11.6(6) . . ?
Sc7 Sc9 Sc3 16.4(4) . . ?
Sc10 Sc9 Sc3 85.8(5) . . ?
Sc1 Sc9 Sc21 110.5(7) . . ?
Sc14 Sc9 Sc21 33.5(7) . . ?
Sc13 Sc9 Sc21 62.0(10) . . ?
Sc15 Sc9 Sc21 78.3(8) . . ?
Sc18 Sc9 Sc21 48.5(7) . . ?
Sc4 Sc9 Sc21 102.5(6) . . ?
Sc17 Sc9 Sc21 84.7(6) . . ?
Sc16 Sc9 Sc21 91.5(6) . . ?
Sc7 Sc9 Sc21 78.8(4) . . ?
Sc10 Sc9 Sc21 23.7(7) . . ?
Sc3 Sc9 Sc21 81.3(5) . . ?
Sc6 Sc10 Sc23 45(2) . . ?
Sc6 Sc10 Sc21 51(3) . . ?
Sc23 Sc10 Sc21 91(2) . . ?
Sc6 Sc10 Sc18 155.8(19) . . ?
Sc23 Sc10 Sc18 126(2) . . ?
Sc21 Sc10 Sc18 116.0(17) . . ?
Sc6 Sc10 Sc8 27.1(18) . . ?
Sc23 Sc10 Sc8 58.6(19) . . ?
Sc21 Sc10 Sc8 32.3(13) . . ?
Sc18 Sc10 Sc8 130.5(11) . . ?
Sc6 Sc10 Sc2 33(2) . . ?
Sc23 Sc10 Sc2 24.3(12) . . ?
Sc21 Sc10 Sc2 68.2(14) . . ?
Sc18 Sc10 Sc2 127.4(10) . . ?
Sc8 Sc10 Sc2 35.9(11) . . ?
Sc6 Sc10 Sc19 58(3) . . ?
Sc23 Sc10 Sc19 20.0(9) . . ?
Sc21 Sc10 Sc19 93.1(17) . . ?
Sc18 Sc10 Sc19 107.7(13) . . ?
Sc8 Sc10 Sc19 61.8(15) . . ?
Sc2 Sc10 Sc19 27.0(9) . . ?
Sc6 Sc10 Sc13 143.9(19) . . ?
Sc23 Sc10 Sc13 122.7(16) . . ?
Sc21 Sc10 Sc13 105.5(14) . . ?
Sc18 Sc10 Sc13 12.3(6) . . ?
Sc8 Sc10 Sc13 118.2(10) . . ?
Sc2 Sc10 Sc13 118.7(8) . . ?
Sc19 Sc10 Sc13 103.0(10) . . ?
Sc6 Sc10 Sc14 128(3) . . ?
Sc23 Sc10 Sc14 131.8(11) . . ?
Sc21 Sc10 Sc14 81.1(14) . . ?
Sc18 Sc10 Sc14 34.9(9) . . ?
Sc8 Sc10 Sc14 100.5(11) . . ?
Sc2 Sc10 Sc14 116.3(8) . . ?
Sc19 Sc10 Sc14 112.6(8) . . ?
Sc13 Sc10 Sc14 25.7(6) . . ?
Sc6 Sc10 Sc24 44.4(19) . . ?
Sc23 Sc10 Sc24 30.9(10) . . ?
Sc21 Sc10 Sc24 69.7(13) . . ?
Sc18 Sc10 Sc24 114.6(9) . . ?
Sc8 Sc10 Sc24 39.4(11) . . ?
Sc2 Sc10 Sc24 13.0(3) . . ?
Sc19 Sc10 Sc24 23.6(9) . . ?
Sc13 Sc10 Sc24 105.7(7) . . ?
Sc14 Sc10 Sc24 104.5(6) . . ?
Sc6 Sc10 Sc9 128.4(19) . . ?
Sc23 Sc10 Sc9 118.5(11) . . ?
Sc21 Sc10 Sc9 90.2(12) . . ?
Sc18 Sc10 Sc9 28.6(6) . . ?
Sc8 Sc10 Sc9 102.0(9) . . ?
Sc2 Sc10 Sc9 108.0(6) . . ?
Sc19 Sc10 Sc9 98.6(7) . . ?
Sc13 Sc10 Sc9 16.4(5) . . ?
Sc14 Sc10 Sc9 16.5(5) . . ?
Sc24 Sc10 Sc9 95.2(5) . . ?
Sc6 Sc10 Sc1 129.0(16) . . ?
Sc23 Sc10 Sc1 105.6(13) . . ?
Sc21 Sc10 Sc1 102.6(11) . . ?
Sc18 Sc10 Sc1 27.1(5) . . ?
Sc8 Sc10 Sc1 106.1(8) . . ?
Sc2 Sc10 Sc1 101.1(6) . . ?
Sc19 Sc10 Sc1 85.7(8) . . ?
Sc13 Sc10 Sc1 17.8(4) . . ?
Sc14 Sc10 Sc1 33.6(6) . . ?
Sc24 Sc10 Sc1 88.1(5) . . ?
Sc9 Sc10 Sc1 17.4(2) . . ?
Sc20 Sc11 Sc5 134(3) . . ?
Sc20 Sc11 Sc12 81(2) . . ?
Sc5 Sc11 Sc12 55.8(18) . . ?
Sc20 Sc11 Sc25 35(2) . . ?
Sc5 Sc11 Sc25 145.8(16) . . ?
Sc12 Sc11 Sc25 109(2) . . ?
Sc20 Sc11 Sc24 142.4(18) . . ?
Sc5 Sc11 Sc24 53.4(16) . . ?
Sc12 Sc11 Sc24 105(2) . . ?
Sc25 Sc11 Sc24 114.0(15) . . ?
Sc20 Sc11 Sc22 101(3) . . ?
Sc5 Sc11 Sc22 33.0(15) . . ?
Sc12 Sc11 Sc22 27.0(11) . . ?
Sc25 Sc11 Sc22 120.2(18) . . ?
Sc24 Sc11 Sc22 77.6(16) . . ?
Sc20 Sc11 Sc7 32.6(18) . . ?
Sc5 Sc11 Sc7 101.6(19) . . ?
Sc12 Sc11 Sc7 51.0(12) . . ?
Sc25 Sc11 Sc7 58.4(15) . . ?
Sc24 Sc11 Sc7 127.4(10) . . ?
Sc22 Sc11 Sc7 68.6(14) . . ?
Sc20 Sc11 Sc3 59(2) . . ?
Sc5 Sc11 Sc3 75.7(18) . . ?
Sc12 Sc11 Sc3 24.0(11) . . ?
Sc25 Sc11 Sc3 85.2(17) . . ?
Sc24 Sc11 Sc3 114.9(14) . . ?
Sc22 Sc11 Sc3 42.9(13) . . ?
Sc7 Sc11 Sc3 27.3(7) . . ?
Sc20 Sc11 Sc2 128.5(17) . . ?
Sc5 Sc11 Sc2 63.6(15) . . ?
Sc12 Sc11 Sc2 108.6(16) . . ?
Sc25 Sc11 Sc2 99.9(12) . . ?
Sc24 Sc11 Sc2 14.3(6) . . ?
Sc22 Sc11 Sc2 82.1(13) . . ?
Sc7 Sc11 Sc2 118.9(7) . . ?
Sc3 Sc11 Sc2 113.1(9) . . ?
Sc20 Sc11 Sc17 32.3(15) . . ?
Sc5 Sc11 Sc17 105.2(17) . . ?
Sc12 Sc11 Sc17 61.0(13) . . ?
Sc25 Sc11 Sc17 48.8(14) . . ?
Sc24 Sc11 Sc17 118.3(8) . . ?
Sc22 Sc11 Sc17 73.4(13) . . ?
Sc7 Sc11 Sc17 14.2(5) . . ?
Sc3 Sc11 Sc17 37.1(9) . . ?
Sc2 Sc11 Sc17 107.6(6) . . ?
Sc20 Sc11 Sc19 132.1(15) . . ?
Sc5 Sc11 Sc19 41.7(14) . . ?
Sc12 Sc11 Sc19 86.0(16) . . ?
Sc25 Sc11 Sc19 114.2(12) . . ?
Sc24 Sc11 Sc19 20.2(8) . . ?
Sc22 Sc11 Sc19 59.1(14) . . ?
Sc7 Sc11 Sc19 109.2(9) . . ?
Sc3 Sc11 Sc19 94.8(12) . . ?
Sc2 Sc11 Sc19 23.5(7) . . ?
Sc17 Sc11 Sc19 102.4(8) . . ?
Sc20 Sc11 Sc16 60(2) . . ?
Sc5 Sc11 Sc16 74.0(16) . . ?
Sc12 Sc11 Sc16 30.3(9) . . ?
Sc25 Sc11 Sc16 81.5(15) . . ?
Sc24 Sc11 Sc16 106.1(11) . . ?
Sc22 Sc11 Sc16 41.2(12) . . ?
Sc7 Sc11 Sc16 27.8(7) . . ?
Sc3 Sc11 Sc16 11.8(4) . . ?
Sc2 Sc11 Sc16 102.5(7) . . ?
Sc17 Sc11 Sc16 32.9(7) . . ?
Sc19 Sc11 Sc16 86.1(10) . . ?
Sc22 Sc12 Sc5 66(2) . . ?
Sc22 Sc12 Sc3 86(3) . . ?
Sc5 Sc12 Sc3 146.9(19) . . ?
Sc22 Sc12 Sc11 123(2) . . ?
Sc5 Sc12 Sc11 61.5(18) . . ?
Sc3 Sc12 Sc11 131(2) . . ?
Sc22 Sc12 Sc20 144.7(17) . . ?
Sc5 Sc12 Sc20 98.4(19) . . ?
Sc3 Sc12 Sc20 95.4(19) . . ?
Sc11 Sc12 Sc20 38.0(12) . . ?
Sc22 Sc12 Sc7 115(2) . . ?
Sc5 Sc12 Sc7 143.0(13) . . ?
Sc3 Sc12 Sc7 36.8(14) . . ?
Sc11 Sc12 Sc7 95.1(18) . . ?
Sc20 Sc12 Sc7 58.6(12) . . ?
Sc22 Sc12 Sc16 72(2) . . ?
Sc5 Sc12 Sc16 130.4(16) . . ?
Sc3 Sc12 Sc16 16.5(11) . . ?
Sc11 Sc12 Sc16 131.5(14) . . ?
Sc20 Sc12 Sc16 101.2(13) . . ?
Sc7 Sc12 Sc16 44.9(10) . . ?
Sc22 Sc12 Sc25 132.6(16) . . ?
Sc5 Sc12 Sc25 97.3(19) . . ?
Sc3 Sc12 Sc25 89.4(17) . . ?
Sc11 Sc12 Sc25 41.9(17) . . ?
Sc20 Sc12 Sc25 13.1(6) . . ?
Sc7 Sc12 Sc25 53.4(10) . . ?
Sc16 Sc12 Sc25 92.3(11) . . ?
Sc22 Sc12 Sc24 75(2) . . ?
Sc5 Sc12 Sc24 23.4(13) . . ?
Sc3 Sc12 Sc24 135.9(8) . . ?
Sc11 Sc12 Sc24 47.2(14) . . ?
Sc20 Sc12 Sc24 79.6(10) . . ?
Sc7 Sc12 Sc24 119.9(8) . . ?
Sc16 Sc12 Sc24 121.3(7) . . ?
Sc25 Sc12 Sc24 75.9(9) . . ?
Sc22 Sc12 Sc17 105.9(19) . . ?
Sc5 Sc12 Sc17 132.8(11) . . ?
Sc3 Sc12 Sc17 37.7(14) . . ?
Sc11 Sc12 Sc17 93.9(15) . . ?
Sc20 Sc12 Sc17 60.5(11) . . ?
Sc7 Sc12 Sc17 12.2(4) . . ?
Sc16 Sc12 Sc17 40.7(9) . . ?
Sc25 Sc12 Sc17 52.4(9) . . ?
Sc24 Sc12 Sc17 110.5(6) . . ?
Sc22 Sc12 Sc19 53(2) . . ?
Sc5 Sc12 Sc19 29.5(10) . . ?
Sc3 Sc12 Sc19 118.7(11) . . ?
Sc11 Sc12 Sc19 70.3(15) . . ?
Sc20 Sc12 Sc19 97.8(11) . . ?
Sc7 Sc12 Sc19 118.8(6) . . ?
Sc16 Sc12 Sc19 102.4(9) . . ?
Sc25 Sc12 Sc19 90.4(10) . . ?
Sc24 Sc12 Sc19 24.0(8) . . ?
Sc17 Sc12 Sc19 106.9(6) . . ?
Sc22 Sc12 Sc4 57.5(18) . . ?
Sc5 Sc12 Sc4 107.3(13) . . ?
Sc3 Sc12 Sc4 40.0(9) . . ?
Sc11 Sc12 Sc4 120.1(9) . . ?
Sc20 Sc12 Sc4 102.6(9) . . ?
Sc7 Sc12 Sc4 57.7(7) . . ?
Sc16 Sc12 Sc4 23.7(6) . . ?
Sc25 Sc12 Sc4 90.5(8) . . ?
Sc24 Sc12 Sc4 97.9(5) . . ?
Sc17 Sc12 Sc4 48.5(6) . . ?
Sc19 Sc12 Sc4 78.7(7) . . ?
Sc18 Sc13 Sc9 149(2) . . ?
Sc18 Sc13 Sc14 96(2) . . ?
Sc9 Sc13 Sc14 58.4(15) . . ?
Sc18 Sc13 Sc1 139(2) . . ?
Sc9 Sc13 Sc1 49.1(11) . . ?
Sc14 Sc13 Sc1 105(2) . . ?
Sc18 Sc13 Sc4 121.1(19) . . ?
Sc9 Sc13 Sc4 61.7(12) . . ?
Sc14 Sc13 Sc4 110.6(17) . . ?
Sc1 Sc13 Sc4 18.6(6) . . ?
Sc18 Sc13 Sc10 25.5(12) . . ?
Sc9 Sc13 Sc10 124.2(12) . . ?
Sc14 Sc13 Sc10 79.5(13) . . ?
Sc1 Sc13 Sc10 127.5(9) . . ?
Sc4 Sc13 Sc10 110.0(8) . . ?
Sc18 Sc13 Sc15 125.3(16) . . ?
Sc9 Sc13 Sc15 24.2(7) . . ?
Sc14 Sc13 Sc15 46.5(13) . . ?
Sc1 Sc13 Sc15 59.5(10) . . ?
Sc4 Sc13 Sc15 64.4(8) . . ?
Sc10 Sc13 Sc15 100.1(8) . . ?
Sc18 Sc13 Sc6 33.5(11) . . ?
Sc9 Sc13 Sc6 116.6(10) . . ?
Sc14 Sc13 Sc6 75.8(12) . . ?
Sc1 Sc13 Sc6 121.0(7) . . ?
Sc4 Sc13 Sc6 104.3(6) . . ?
Sc10 Sc13 Sc6 8.2(5) . . ?
Sc15 Sc13 Sc6 92.4(6) . . ?
Sc18 Sc13 Sc21 49.1(15) . . ?
Sc9 Sc13 Sc21 100.1(12) . . ?
Sc14 Sc13 Sc21 55.5(11) . . ?
Sc1 Sc13 Sc21 120.4(7) . . ?
Sc4 Sc13 Sc21 108.0(6) . . ?
Sc10 Sc13 Sc21 25.5(8) . . ?
Sc15 Sc13 Sc21 76.6(7) . . ?
Sc6 Sc13 Sc21 20.4(5) . . ?
Sc18 Sc13 Sc17 121.4(11) . . ?
Sc9 Sc13 Sc17 35.7(6) . . ?
Sc14 Sc13 Sc17 66.6(13) . . ?
Sc1 Sc13 Sc17 45.0(7) . . ?
Sc4 Sc13 Sc17 44.3(7) . . ?
Sc10 Sc13 Sc17 96.9(7) . . ?
Sc15 Sc13 Sc17 22.6(6) . . ?
Sc6 Sc13 Sc17 88.8(5) . . ?
Sc21 Sc13 Sc17 79.2(6) . . ?
Sc18 Sc13 Sc23 35.9(9) . . ?
Sc9 Sc13 Sc23 119.1(8) . . ?
Sc14 Sc13 Sc23 89.0(11) . . ?
Sc1 Sc13 Sc23 109.7(8) . . ?
Sc4 Sc13 Sc23 91.7(6) . . ?
Sc10 Sc13 Sc23 18.6(7) . . ?
Sc15 Sc13 Sc23 95.7(5) . . ?
Sc6 Sc13 Sc23 15.8(4) . . ?
Sc21 Sc13 Sc23 34.1(7) . . ?
Sc17 Sc13 Sc23 86.1(5) . . ?
Sc18 Sc13 Sc16 115.4(13) . . ?
Sc9 Sc13 Sc16 55.0(10) . . ?
Sc14 Sc13 Sc16 93.1(14) . . ?
Sc1 Sc13 Sc16 31.3(5) . . ?
Sc4 Sc13 Sc16 20.4(6) . . ?
Sc10 Sc13 Sc16 97.4(6) . . ?
Sc15 Sc13 Sc16 49.3(7) . . ?
Sc6 Sc13 Sc16 90.3(5) . . ?
Sc21 Sc13 Sc16 89.7(6) . . ?
Sc17 Sc13 Sc16 27.0(6) . . ?
Sc23 Sc13 Sc16 80.9(5) . . ?
Sc9 Sc14 Sc13 60.4(16) . . ?
Sc9 Sc14 Sc18 94.2(17) . . ?
Sc13 Sc14 Sc18 35.3(11) . . ?
Sc9 Sc14 Sc15 54.9(11) . . ?
Sc13 Sc14 Sc15 108.8(17) . . ?
Sc18 Sc14 Sc15 130.0(11) . . ?
Sc9 Sc14 Sc1 22.4(8) . . ?
Sc13 Sc14 Sc1 41.4(13) . . ?
Sc18 Sc14 Sc1 72.7(11) . . ?
Sc15 Sc14 Sc1 68.1(9) . . ?
Sc9 Sc14 Sc10 122.1(13) . . ?
Sc13 Sc14 Sc10 74.8(14) . . ?
Sc18 Sc14 Sc10 42.2(11) . . ?
Sc15 Sc14 Sc10 118.0(8) . . ?
Sc1 Sc14 Sc10 100.5(9) . . ?
Sc9 Sc14 Sc21 133.8(9) . . ?
Sc13 Sc14 Sc21 104.7(14) . . ?
Sc18 Sc14 Sc21 73.5(11) . . ?
Sc15 Sc14 Sc21 99.3(9) . . ?
Sc1 Sc14 Sc21 118.6(8) . . ?
Sc10 Sc14 Sc21 31.3(10) . . ?
Sc9 Sc14 Sc4 30.3(7) . . ?
Sc13 Sc14 Sc4 47.5(13) . . ?
Sc18 Sc14 Sc4 72.8(10) . . ?
Sc15 Sc14 Sc4 61.6(8) . . ?
Sc1 Sc14 Sc4 14.4(3) . . ?
Sc10 Sc14 Sc4 92.2(8) . . ?
Sc21 Sc14 Sc4 105.8(7) . . ?
Sc9 Sc14 Sc6 123.2(10) . . ?
Sc13 Sc14 Sc6 83.5(13) . . ?
Sc18 Sc14 Sc6 52.6(9) . . ?
Sc15 Sc14 Sc6 108.6(7) . . ?
Sc1 Sc14 Sc6 103.4(7) . . ?
Sc10 Sc14 Sc6 11.3(7) . . ?
Sc21 Sc14 Sc6 21.3(7) . . ?
Sc4 Sc14 Sc6 93.0(6) . . ?
Sc9 Sc14 Sc17 50.5(9) . . ?
Sc13 Sc14 Sc17 94.0(14) . . ?
Sc18 Sc14 Sc17 111.0(9) . . ?
Sc15 Sc14 Sc17 19.2(6) . . ?
Sc1 Sc14 Sc17 56.5(6) . . ?
Sc10 Sc14 Sc17 103.0(6) . . ?
Sc21 Sc14 Sc17 91.8(6) . . ?
Sc4 Sc14 Sc17 46.7(6) . . ?
Sc6 Sc14 Sc17 95.4(5) . . ?
Sc9 Sc14 Sc8 120.0(8) . . ?
Sc13 Sc14 Sc8 99.3(12) . . ?
Sc18 Sc14 Sc8 72.9(10) . . ?
Sc15 Sc14 Sc8 89.2(8) . . ?
Sc1 Sc14 Sc8 106.0(7) . . ?
Sc10 Sc14 Sc8 33.1(8) . . ?
Sc21 Sc14 Sc8 13.9(6) . . ?
Sc4 Sc14 Sc8 92.6(6) . . ?
Sc6 Sc14 Sc8 21.9(5) . . ?
Sc17 Sc14 Sc8 79.3(6) . . ?
Sc9 Sc14 Sc23 109.6(10) . . ?
Sc13 Sc14 Sc23 72.5(11) . . ?
Sc18 Sc14 Sc23 45.9(8) . . ?
Sc15 Sc14 Sc23 103.6(6) . . ?
Sc1 Sc14 Sc23 89.5(6) . . ?
Sc10 Sc14 Sc23 15.7(5) . . ?
Sc21 Sc14 Sc23 32.9(8) . . ?
Sc4 Sc14 Sc23 79.3(6) . . ?
Sc6 Sc14 Sc23 13.9(4) . . ?
Sc17 Sc14 Sc23 87.6(5) . . ?
Sc8 Sc14 Sc23 27.6(7) . . ?
Sc17 Sc15 Sc9 115.6(17) . . ?
Sc17 Sc15 Sc14 133.6(14) . . ?
Sc9 Sc15 Sc14 34.0(8) . . ?
Sc17 Sc15 Sc1 89.4(14) . . ?
Sc9 Sc15 Sc1 26.5(6) . . ?
Sc14 Sc15 Sc1 56.3(9) . . ?
Sc17 Sc15 Sc7 12.0(8) . . ?
Sc9 Sc15 Sc7 114.6(12) . . ?
Sc14 Sc15 Sc7 125.6(9) . . ?
Sc1 Sc15 Sc7 89.7(9) . . ?
Sc17 Sc15 Sc25 55.6(13) . . ?
Sc9 Sc15 Sc25 127.7(10) . . ?
Sc14 Sc15 Sc25 109.1(9) . . ?
Sc1 Sc15 Sc25 116.3(10) . . ?
Sc7 Sc15 Sc25 45.7(10) . . ?
Sc17 Sc15 Sc13 113.5(14) . . ?
Sc9 Sc15 Sc13 16.6(4) . . ?
Sc14 Sc15 Sc13 24.7(7) . . ?
Sc1 Sc15 Sc13 32.0(6) . . ?
Sc7 Sc15 Sc13 108.9(9) . . ?
Sc25 Sc15 Sc13 112.1(8) . . ?
Sc17 Sc15 Sc4 65.6(12) . . ?
Sc9 Sc15 Sc4 50.0(8) . . ?
Sc14 Sc15 Sc4 76.3(10) . . ?
Sc1 Sc15 Sc4 23.8(5) . . ?
Sc7 Sc15 Sc4 66.2(8) . . ?
Sc25 Sc15 Sc4 99.3(10) . . ?
Sc13 Sc15 Sc4 51.7(8) . . ?
Sc17 Sc15 Sc16 30.9(11) . . ?
Sc9 Sc15 Sc16 84.8(11) . . ?
Sc14 Sc15 Sc16 106.0(11) . . ?
Sc1 Sc15 Sc16 58.8(8) . . ?
Sc7 Sc15 Sc16 31.7(8) . . ?
Sc25 Sc15 Sc16 72.4(11) . . ?
Sc13 Sc15 Sc16 83.5(9) . . ?
Sc4 Sc15 Sc16 35.0(8) . . ?
Sc17 Sc15 Sc3 21.0(9) . . ?
Sc9 Sc15 Sc3 98.3(10) . . ?
Sc14 Sc15 Sc3 112.6(9) . . ?
Sc1 Sc15 Sc3 73.4(8) . . ?
Sc7 Sc15 Sc3 16.3(6) . . ?
Sc25 Sc15 Sc3 55.7(11) . . ?
Sc13 Sc15 Sc3 93.4(8) . . ?
Sc4 Sc15 Sc3 50.2(7) . . ?
Sc16 Sc15 Sc3 17.0(6) . . ?
Sc17 Sc15 Sc20 39.3(9) . . ?
Sc9 Sc15 Sc20 118.3(8) . . ?
Sc14 Sc15 Sc20 111.4(7) . . ?
Sc1 Sc15 Sc20 100.5(7) . . ?
Sc7 Sc15 Sc20 28.0(5) . . ?
Sc25 Sc15 Sc20 19.8(9) . . ?
Sc13 Sc15 Sc20 105.5(7) . . ?
Sc4 Sc15 Sc20 80.9(7) . . ?
Sc16 Sc15 Sc20 52.7(7) . . ?
Sc3 Sc15 Sc20 36.0(7) . . ?
Sc17 Sc15 Sc18 112.3(12) . . ?
Sc9 Sc15 Sc18 29.7(5) . . ?
Sc14 Sc15 Sc18 21.5(6) . . ?
Sc1 Sc15 Sc18 41.7(5) . . ?
Sc7 Sc15 Sc18 105.2(7) . . ?
Sc25 Sc15 Sc18 100.2(7) . . ?
Sc13 Sc15 Sc18 13.1(3) . . ?
Sc4 Sc15 Sc18 57.4(7) . . ?
Sc16 Sc15 Sc18 84.8(8) . . ?
Sc3 Sc15 Sc18 91.3(7) . . ?
Sc20 Sc15 Sc18 96.3(6) . . ?
Sc3 Sc16 Sc7 46(2) . . ?
Sc3 Sc16 Sc4 148(2) . . ?
Sc7 Sc16 Sc4 126.4(17) . . ?
Sc3 Sc16 Sc17 80(3) . . ?
Sc7 Sc16 Sc17 34.3(10) . . ?
Sc4 Sc16 Sc17 96.7(15) . . ?
Sc3 Sc16 Sc22 52(2) . . ?
Sc7 Sc16 Sc22 89(2) . . ?
Sc4 Sc16 Sc22 102.6(16) . . ?
Sc17 Sc16 Sc22 114(2) . . ?
Sc3 Sc16 Sc12 22.2(15) . . ?
Sc7 Sc16 Sc12 57.5(13) . . ?
Sc4 Sc16 Sc12 126.8(11) . . ?
Sc17 Sc16 Sc12 87.9(15) . . ?
Sc22 Sc16 Sc12 32.6(14) . . ?
Sc3 Sc16 Sc1 140(2) . . ?
Sc7 Sc16 Sc1 108.2(13) . . ?
Sc4 Sc16 Sc1 18.6(9) . . ?
Sc17 Sc16 Sc1 78.3(10) . . ?
Sc22 Sc16 Sc1 108.2(12) . . ?
Sc12 Sc16 Sc1 123.3(8) . . ?
Sc3 Sc16 Sc20 30.9(18) . . ?
Sc7 Sc16 Sc20 29.1(9) . . ?
Sc4 Sc16 Sc20 123.7(11) . . ?
Sc17 Sc16 Sc20 56.8(12) . . ?
Sc22 Sc16 Sc20 60.3(17) . . ?
Sc12 Sc16 Sc20 31.1(8) . . ?
Sc1 Sc16 Sc20 110.3(8) . . ?
Sc3 Sc16 Sc15 101(3) . . ?
Sc7 Sc16 Sc15 57.9(11) . . ?
Sc4 Sc16 Sc15 70.0(12) . . ?
Sc17 Sc16 Sc15 27.0(8) . . ?
Sc22 Sc16 Sc15 115.1(15) . . ?
Sc12 Sc16 Sc15 100.3(12) . . ?
Sc1 Sc16 Sc15 51.5(7) . . ?
Sc20 Sc16 Sc15 71.7(9) . . ?
Sc3 Sc16 Sc5 39.9(17) . . ?
Sc7 Sc16 Sc5 69.6(13) . . ?
Sc4 Sc16 Sc5 109.5(10) . . ?
Sc17 Sc16 Sc5 94.6(14) . . ?
Sc22 Sc16 Sc5 19.9(16) . . ?
Sc12 Sc16 Sc5 17.8(6) . . ?
Sc1 Sc16 Sc5 108.7(7) . . ?
Sc20 Sc16 Sc5 40.7(8) . . ?
Sc15 Sc16 Sc5 99.2(10) . . ?
Sc3 Sc16 Sc11 30.0(15) . . ?
Sc7 Sc16 Sc11 45.6(11) . . ?
Sc4 Sc16 Sc11 118.8(10) . . ?
Sc17 Sc16 Sc11 71.7(13) . . ?
Sc22 Sc16 Sc11 43.9(17) . . ?
Sc12 Sc16 Sc11 18.2(6) . . ?
Sc1 Sc16 Sc11 110.1(7) . . ?
Sc20 Sc16 Sc11 16.6(6) . . ?
Sc15 Sc16 Sc11 82.1(9) . . ?
Sc5 Sc16 Sc11 24.2(7) . . ?
Sc3 Sc16 Sc9 125(2) . . ?
Sc7 Sc16 Sc9 89.0(12) . . ?
Sc4 Sc16 Sc9 37.7(10) . . ?
Sc17 Sc16 Sc9 59.6(9) . . ?
Sc22 Sc16 Sc9 110.3(10) . . ?
Sc12 Sc16 Sc9 114.3(9) . . ?
Sc1 Sc16 Sc9 19.2(3) . . ?
Sc20 Sc16 Sc9 94.4(8) . . ?
Sc15 Sc16 Sc9 32.6(6) . . ?
Sc5 Sc16 Sc9 104.0(7) . . ?
Sc11 Sc16 Sc9 98.0(7) . . ?
Sc7 Sc17 Sc15 148.9(19) . . ?
Sc7 Sc17 Sc16 59.9(19) . . ?
Sc15 Sc17 Sc16 122.1(17) . . ?
Sc7 Sc17 Sc3 29.4(17) . . ?
Sc15 Sc17 Sc3 141.5(14) . . ?
Sc16 Sc17 Sc3 30.6(10) . . ?
Sc7 Sc17 Sc20 35.0(14) . . ?
Sc15 Sc17 Sc20 115.9(13) . . ?
Sc16 Sc17 Sc20 84.4(13) . . ?
Sc3 Sc17 Sc20 56.3(13) . . ?
Sc7 Sc17 Sc25 63.1(19) . . ?
Sc15 Sc17 Sc25 90.9(15) . . ?
Sc16 Sc17 Sc25 111.0(16) . . ?
Sc3 Sc17 Sc25 85.0(16) . . ?
Sc20 Sc17 Sc25 29.1(10) . . ?
Sc7 Sc17 Sc4 97(2) . . ?
Sc15 Sc17 Sc4 81.4(13) . . ?
Sc16 Sc17 Sc4 41.2(11) . . ?
Sc3 Sc17 Sc4 68.7(12) . . ?
Sc20 Sc17 Sc4 108.3(10) . . ?
Sc25 Sc17 Sc4 121.4(10) . . ?
Sc7 Sc17 Sc12 22.9(10) . . ?
Sc15 Sc17 Sc12 129.8(10) . . ?
Sc16 Sc17 Sc12 51.4(11) . . ?
Sc3 Sc17 Sc12 24.7(10) . . ?
Sc20 Sc17 Sc12 33.0(7) . . ?
Sc25 Sc17 Sc12 60.7(12) . . ?
Sc4 Sc17 Sc12 80.7(8) . . ?
Sc7 Sc17 Sc9 134.1(16) . . ?
Sc15 Sc17 Sc9 34.4(10) . . ?
Sc16 Sc17 Sc9 87.8(12) . . ?
Sc3 Sc17 Sc9 111.2(11) . . ?
Sc20 Sc17 Sc9 119.0(7) . . ?
Sc25 Sc17 Sc9 107.0(9) . . ?
Sc4 Sc17 Sc9 47.0(7) . . ?
Sc12 Sc17 Sc9 111.5(7) . . ?
Sc7 Sc17 Sc1 117.9(19) . . ?
Sc15 Sc17 Sc1 57.7(11) . . ?
Sc16 Sc17 Sc1 64.8(11) . . ?
Sc3 Sc17 Sc1 90.8(11) . . ?
Sc20 Sc17 Sc1 117.5(8) . . ?
Sc25 Sc17 Sc1 118.0(8) . . ?
Sc4 Sc17 Sc1 23.7(5) . . ?
Sc12 Sc17 Sc1 97.8(7) . . ?
Sc9 Sc17 Sc1 23.4(3) . . ?
Sc7 Sc17 Sc11 35.3(12) . . ?
Sc15 Sc17 Sc11 113.7(11) . . ?
Sc16 Sc17 Sc11 75.4(12) . . ?
Sc3 Sc17 Sc11 49.8(12) . . ?
Sc20 Sc17 Sc11 12.0(6) . . ?
Sc25 Sc17 Sc11 35.8(12) . . ?
Sc4 Sc17 Sc11 96.3(9) . . ?
Sc12 Sc17 Sc11 25.1(6) . . ?
Sc9 Sc17 Sc11 110.0(6) . . ?
Sc1 Sc17 Sc11 106.0(7) . . ?
Sc7 Sc17 Sc22 40.4(15) . . ?
Sc15 Sc17 Sc22 120.0(11) . . ?
Sc16 Sc17 Sc22 35.9(13) . . ?
Sc3 Sc17 Sc22 22.6(8) . . ?
Sc20 Sc17 Sc22 50.9(11) . . ?
Sc25 Sc17 Sc22 75.3(14) . . ?
Sc4 Sc17 Sc22 60.2(11) . . ?
Sc12 Sc17 Sc22 20.5(8) . . ?
Sc9 Sc17 Sc22 94.2(9) . . ?
Sc1 Sc17 Sc22 77.9(9) . . ?
Sc11 Sc17 Sc22 40.4(11) . . ?
Sc13 Sc18 Sc14 48.2(17) . . ?
Sc13 Sc18 Sc10 142.2(18) . . ?
Sc14 Sc18 Sc10 102.9(15) . . ?
Sc13 Sc18 Sc9 17.4(14) . . ?
Sc14 Sc18 Sc9 34.6(8) . . ?
Sc10 Sc18 Sc9 125.3(11) . . ?
Sc13 Sc18 Sc1 24.8(15) . . ?
Sc14 Sc18 Sc1 64.1(10) . . ?
Sc10 Sc18 Sc1 130.3(8) . . ?
Sc9 Sc18 Sc1 29.9(4) . . ?
Sc13 Sc18 Sc6 135.3(15) . . ?
Sc14 Sc18 Sc6 98.6(12) . . ?
Sc10 Sc18 Sc6 7.2(7) . . ?
Sc9 Sc18 Sc6 118.7(8) . . ?
Sc1 Sc18 Sc6 123.2(5) . . ?
Sc13 Sc18 Sc21 116.9(18) . . ?
Sc14 Sc18 Sc21 74.6(11) . . ?
Sc10 Sc18 Sc21 28.4(11) . . ?
Sc9 Sc18 Sc21 99.5(9) . . ?
Sc1 Sc18 Sc21 114.6(6) . . ?
Sc6 Sc18 Sc21 24.5(6) . . ?
Sc13 Sc18 Sc23 133.2(12) . . ?
Sc14 Sc18 Sc23 110.8(10) . . ?
Sc10 Sc18 Sc23 22.4(10) . . ?
Sc9 Sc18 Sc23 120.2(6) . . ?
Sc1 Sc18 Sc23 113.5(6) . . ?
Sc6 Sc18 Sc23 19.7(6) . . ?
Sc21 Sc18 Sc23 41.8(8) . . ?
Sc13 Sc18 Sc4 43.4(16) . . ?
Sc14 Sc18 Sc4 76.2(10) . . ?
Sc10 Sc18 Sc4 115.7(8) . . ?
Sc9 Sc18 Sc4 44.9(6) . . ?
Sc1 Sc18 Sc4 18.7(4) . . ?
Sc6 Sc18 Sc4 109.2(6) . . ?
Sc21 Sc18 Sc4 107.5(6) . . ?
Sc23 Sc18 Sc4 96.4(6) . . ?
Sc13 Sc18 Sc15 41.6(14) . . ?
Sc14 Sc18 Sc15 28.5(7) . . ?
Sc10 Sc18 Sc15 100.9(10) . . ?
Sc9 Sc18 Sc15 24.4(5) . . ?
Sc1 Sc18 Sc15 44.4(5) . . ?
Sc6 Sc18 Sc15 94.3(6) . . ?
Sc21 Sc18 Sc15 75.7(7) . . ?
Sc23 Sc18 Sc15 98.0(5) . . ?
Sc4 Sc18 Sc15 50.9(6) . . ?
Sc13 Sc18 Sc8 116.2(15) . . ?
Sc14 Sc18 Sc8 81.8(10) . . ?
Sc10 Sc18 Sc8 26.0(8) . . ?
Sc9 Sc18 Sc8 99.5(7) . . ?
Sc1 Sc18 Sc8 107.0(6) . . ?
Sc6 Sc18 Sc8 19.2(5) . . ?
Sc21 Sc18 Sc8 15.9(7) . . ?
Sc23 Sc18 Sc8 29.7(7) . . ?
Sc4 Sc18 Sc8 96.1(6) . . ?
Sc15 Sc18 Sc8 75.2(6) . . ?
Sc13 Sc18 Sc19 115.6(13) . . ?
Sc14 Sc18 Sc19 109.1(9) . . ?
Sc10 Sc18 Sc19 42.9(9) . . ?
Sc9 Sc18 Sc19 106.3(6) . . ?
Sc1 Sc18 Sc19 93.5(6) . . ?
Sc6 Sc18 Sc19 38.6(8) . . ?
Sc21 Sc18 Sc19 55.0(9) . . ?
Sc23 Sc18 Sc19 21.0(6) . . ?
Sc4 Sc18 Sc19 75.8(6) . . ?
Sc15 Sc18 Sc19 88.2(6) . . ?
Sc8 Sc18 Sc19 39.5(9) . . ?
Sc2 Sc19 Sc24 48.5(19) . . ?
Sc2 Sc19 Sc23 56.4(18) . . ?
Sc24 Sc19 Sc23 103(3) . . ?
Sc2 Sc19 Sc5 92(2) . . ?
Sc24 Sc19 Sc5 45.7(15) . . ?
Sc23 Sc19 Sc5 134(2) . . ?
Sc2 Sc19 Sc6 47.7(14) . . ?
Sc24 Sc19 Sc6 91(2) . . ?
Sc23 Sc19 Sc6 13.9(12) . . ?
Sc5 Sc19 Sc6 120.1(18) . . ?
Sc2 Sc19 Sc8 19.8(9) . . ?
Sc24 Sc19 Sc8 57.0(19) . . ?
Sc23 Sc19 Sc8 46.1(18) . . ?
Sc5 Sc19 Sc8 92.3(18) . . ?
Sc6 Sc19 Sc8 34.0(10) . . ?
Sc2 Sc19 Sc10 64.3(16) . . ?
Sc24 Sc19 Sc10 103(2) . . ?
Sc23 Sc19 Sc10 19.6(9) . . ?
Sc5 Sc19 Sc10 120.8(14) . . ?
Sc6 Sc19 Sc10 17.6(7) . . ?
Sc8 Sc19 Sc10 48.1(11) . . ?
Sc2 Sc19 Sc22 114(2) . . ?
Sc24 Sc19 Sc22 73.3(18) . . ?
Sc23 Sc19 Sc22 132.1(14) . . ?
Sc5 Sc19 Sc22 28.8(12) . . ?
Sc6 Sc19 Sc22 122.0(13) . . ?
Sc8 Sc19 Sc22 107.4(16) . . ?
Sc10 Sc19 Sc22 113.1(11) . . ?
Sc2 Sc19 Sc11 71.3(18) . . ?
Sc24 Sc19 Sc11 31.4(11) . . ?
Sc23 Sc19 Sc11 112(2) . . ?
Sc5 Sc19 Sc11 22.4(9) . . ?
Sc6 Sc19 Sc11 98.5(14) . . ?
Sc8 Sc19 Sc11 69.9(13) . . ?
Sc10 Sc19 Sc11 102.3(13) . . ?
Sc22 Sc19 Sc11 44.0(14) . . ?
Sc2 Sc19 Sc21 37.9(12) . . ?
Sc24 Sc19 Sc21 73.8(19) . . ?
Sc23 Sc19 Sc21 33.2(14) . . ?
Sc5 Sc19 Sc21 101.1(15) . . ?
Sc6 Sc19 Sc21 19.3(7) . . ?
Sc8 Sc19 Sc21 19.2(8) . . ?
Sc10 Sc19 Sc21 29.6(9) . . ?
Sc22 Sc19 Sc21 107.3(13) . . ?
Sc11 Sc19 Sc21 79.3(11) . . ?
Sc2 Sc19 Sc12 94.3(19) . . ?
Sc24 Sc19 Sc12 54.0(12) . . ?
Sc23 Sc19 Sc12 124.4(16) . . ?
Sc5 Sc19 Sc12 15.4(6) . . ?
Sc6 Sc19 Sc12 111.5(12) . . ?
Sc8 Sc19 Sc12 89.6(12) . . ?
Sc10 Sc19 Sc12 108.4(9) . . ?
Sc22 Sc19 Sc12 20.3(12) . . ?
Sc11 Sc19 Sc12 23.8(5) . . ?
Sc21 Sc19 Sc12 93.7(10) . . ?
Sc2 Sc19 Sc20 71.9(16) . . ?
Sc24 Sc19 Sc20 38.8(10) . . ?
Sc23 Sc19 Sc20 105.7(18) . . ?
Sc5 Sc19 Sc20 28.2(9) . . ?
Sc6 Sc19 Sc20 92.0(12) . . ?
Sc8 Sc19 Sc20 66.8(10) . . ?
Sc10 Sc19 Sc20 93.6(10) . . ?
Sc22 Sc19 Sc20 42.5(13) . . ?
Sc11 Sc19 Sc20 10.5(4) . . ?
Sc21 Sc19 Sc20 73.1(9) . . ?
Sc12 Sc19 Sc20 23.0(5) . . ?
Sc11 Sc20 Sc25 119(3) . . ?
Sc11 Sc20 Sc12 61(2) . . ?
Sc25 Sc20 Sc12 150.3(16) . . ?
Sc11 Sc20 Sc7 130(3) . . ?
Sc25 Sc20 Sc7 93(2) . . ?
Sc12 Sc20 Sc7 71.5(13) . . ?
Sc11 Sc20 Sc3 99(3) . . ?
Sc25 Sc20 Sc3 123(2) . . ?
Sc12 Sc20 Sc3 38.5(9) . . ?
Sc7 Sc20 Sc3 32.9(9) . . ?
Sc11 Sc20 Sc5 27(2) . . ?
Sc25 Sc20 Sc5 133.0(19) . . ?
Sc12 Sc20 Sc5 36.2(10) . . ?
Sc7 Sc20 Sc5 102.9(15) . . ?
Sc3 Sc20 Sc5 71.7(13) . . ?
Sc11 Sc20 Sc17 136(2) . . ?
Sc25 Sc20 Sc17 74(2) . . ?
Sc12 Sc20 Sc17 86.5(12) . . ?
Sc7 Sc20 Sc17 20.3(8) . . ?
Sc3 Sc20 Sc17 49.5(10) . . ?
Sc5 Sc20 Sc17 111.5(12) . . ?
Sc11 Sc20 Sc22 58(2) . . ?
Sc25 Sc20 Sc22 135.9(15) . . ?
Sc12 Sc20 Sc22 15.6(6) . . ?
Sc7 Sc20 Sc22 72.0(14) . . ?
Sc3 Sc20 Sc22 41.2(12) . . ?
Sc5 Sc20 Sc22 30.9(10) . . ?
Sc17 Sc20 Sc22 82.7(12) . . ?
Sc11 Sc20 Sc16 103(2) . . ?
Sc25 Sc20 Sc16 110(2) . . ?
Sc12 Sc20 Sc16 47.7(9) . . ?
Sc7 Sc20 Sc16 26.9(9) . . ?
Sc3 Sc20 Sc16 14.0(6) . . ?
Sc5 Sc20 Sc16 76.2(11) . . ?
Sc17 Sc20 Sc16 38.8(8) . . ?
Sc22 Sc20 Sc16 45.5(11) . . ?
Sc11 Sc20 Sc24 26.1(13) . . ?
Sc25 Sc20 Sc24 99.4(18) . . ?
Sc12 Sc20 Sc24 69.4(10) . . ?
Sc7 Sc20 Sc24 121.0(10) . . ?
Sc3 Sc20 Sc24 98.2(11) . . ?
Sc5 Sc20 Sc24 34.9(9) . . ?
Sc17 Sc20 Sc24 117.2(7) . . ?
Sc22 Sc20 Sc24 59.0(11) . . ?
Sc16 Sc20 Sc24 96.4(8) . . ?
Sc11 Sc20 Sc15 127.7(14) . . ?
Sc25 Sc20 Sc15 54.2(17) . . ?
Sc12 Sc20 Sc15 100.3(9) . . ?
Sc7 Sc20 Sc15 44.7(8) . . ?
Sc3 Sc20 Sc15 69.0(9) . . ?
Sc5 Sc20 Sc15 112.4(8) . . ?
Sc17 Sc20 Sc15 24.8(6) . . ?
Sc22 Sc20 Sc15 91.0(9) . . ?
Sc16 Sc20 Sc15 55.6(7) . . ?
Sc24 Sc20 Sc15 103.0(5) . . ?
Sc11 Sc20 Sc2 39.8(14) . . ?
Sc25 Sc20 Sc2 86.8(17) . . ?
Sc12 Sc20 Sc2 77.9(9) . . ?
Sc7 Sc20 Sc2 116.3(7) . . ?
Sc3 Sc20 Sc2 100.4(8) . . ?
Sc5 Sc20 Sc2 46.4(8) . . ?
Sc17 Sc20 Sc2 108.1(5) . . ?
Sc22 Sc20 Sc2 65.2(9) . . ?
Sc16 Sc20 Sc2 95.2(6) . . ?
Sc24 Sc20 Sc2 13.9(4) . . ?
Sc15 Sc20 Sc2 90.8(5) . . ?
Sc8 Sc21 Sc6 73(2) . . ?
Sc8 Sc21 Sc10 101(3) . . ?
Sc6 Sc21 Sc10 31.7(11) . . ?
Sc8 Sc21 Sc23 60(2) . . ?
Sc6 Sc21 Sc23 17.2(10) . . ?
Sc10 Sc21 Sc23 41.5(15) . . ?
Sc8 Sc21 Sc2 28(2) . . ?
Sc6 Sc21 Sc2 48.2(13) . . ?
Sc10 Sc21 Sc2 73.2(16) . . ?
Sc23 Sc21 Sc2 32.6(7) . . ?
Sc8 Sc21 Sc18 119(3) . . ?
Sc6 Sc21 Sc18 65.6(16) . . ?
Sc10 Sc21 Sc18 35.7(12) . . ?
Sc23 Sc21 Sc18 69.3(11) . . ?
Sc2 Sc21 Sc18 93.6(12) . . ?
Sc8 Sc21 Sc14 127.6(17) . . ?
Sc6 Sc21 Sc14 97.0(17) . . ?
Sc10 Sc21 Sc14 67.6(13) . . ?
Sc23 Sc21 Sc14 97.3(12) . . ?
Sc2 Sc21 Sc14 111.9(10) . . ?
Sc18 Sc21 Sc14 32.0(7) . . ?
Sc8 Sc21 Sc24 25.6(18) . . ?
Sc6 Sc21 Sc24 61.6(14) . . ?
Sc10 Sc21 Sc24 81.8(15) . . ?
Sc23 Sc21 Sc24 44.7(8) . . ?
Sc2 Sc21 Sc24 16.0(4) . . ?
Sc18 Sc21 Sc24 93.7(9) . . ?
Sc14 Sc21 Sc24 104.3(8) . . ?
Sc8 Sc21 Sc19 46(2) . . ?
Sc6 Sc21 Sc19 38.9(13) . . ?
Sc10 Sc21 Sc19 57.3(15) . . ?
Sc23 Sc21 Sc19 21.7(8) . . ?
Sc2 Sc21 Sc19 18.6(7) . . ?
Sc18 Sc21 Sc19 74.9(10) . . ?
Sc14 Sc21 Sc19 95.2(10) . . ?
Sc24 Sc21 Sc19 24.7(7) . . ?
Sc8 Sc21 Sc13 118(2) . . ?
Sc6 Sc21 Sc13 77.2(16) . . ?
Sc10 Sc21 Sc13 48.9(12) . . ?
Sc23 Sc21 Sc13 77.8(11) . . ?
Sc2 Sc21 Sc13 96.7(10) . . ?
Sc18 Sc21 Sc13 14.1(5) . . ?
Sc14 Sc21 Sc13 19.9(5) . . ?
Sc24 Sc21 Sc13 93.0(8) . . ?
Sc19 Sc21 Sc13 78.6(10) . . ?
Sc8 Sc21 Sc25 63.1(17) . . ?
Sc6 Sc21 Sc25 113.0(16) . . ?
Sc10 Sc21 Sc25 114.1(13) . . ?
Sc23 Sc21 Sc25 96.4(11) . . ?
Sc2 Sc21 Sc25 73.0(9) . . ?
Sc18 Sc21 Sc25 93.9(8) . . ?
Sc14 Sc21 Sc25 75.5(7) . . ?
Sc24 Sc21 Sc25 56.9(8) . . ?
Sc19 Sc21 Sc25 74.9(10) . . ?
Sc13 Sc21 Sc25 81.8(7) . . ?
Sc8 Sc21 Sc9 114.9(17) . . ?
Sc6 Sc21 Sc9 92.2(15) . . ?
Sc10 Sc21 Sc9 66.2(11) . . ?
Sc23 Sc21 Sc9 89.2(9) . . ?
Sc2 Sc21 Sc9 100.0(8) . . ?
Sc18 Sc21 Sc9 32.0(5) . . ?
Sc14 Sc21 Sc9 12.8(3) . . ?
Sc24 Sc21 Sc9 91.6(6) . . ?
Sc19 Sc21 Sc9 84.1(8) . . ?
Sc13 Sc21 Sc9 17.9(4) . . ?
Sc25 Sc21 Sc9 66.4(6) . . ?
Sc12 Sc22 Sc5 59(3) . . ?
Sc12 Sc22 Sc3 50(2) . . ?
Sc5 Sc22 Sc3 107(4) . . ?
Sc12 Sc22 Sc16 75(2) . . ?
Sc5 Sc22 Sc16 127(4) . . ?
Sc3 Sc22 Sc16 27.1(11) . . ?
Sc12 Sc22 Sc11 30.4(17) . . ?
Sc5 Sc22 Sc11 32.9(19) . . ?
Sc3 Sc22 Sc11 74(2) . . ?
Sc16 Sc22 Sc11 95(2) . . ?
Sc12 Sc22 Sc20 19.7(12) . . ?
Sc5 Sc22 Sc20 54(2) . . ?
Sc3 Sc22 Sc20 53.4(19) . . ?
Sc16 Sc22 Sc20 74.3(18) . . ?
Sc11 Sc22 Sc20 20.9(8) . . ?
Sc12 Sc22 Sc7 40.5(15) . . ?
Sc5 Sc22 Sc7 91(3) . . ?
Sc3 Sc22 Sc7 18.7(12) . . ?
Sc16 Sc22 Sc7 36.8(12) . . ?
Sc11 Sc22 Sc7 58.6(15) . . ?
Sc20 Sc22 Sc7 37.7(10) . . ?
Sc12 Sc22 Sc24 79(3) . . ?
Sc5 Sc22 Sc24 29.2(13) . . ?
Sc3 Sc22 Sc24 117(3) . . ?
Sc16 Sc22 Sc24 124.7(19) . . ?
Sc11 Sc22 Sc24 48.7(13) . . ?
Sc20 Sc22 Sc24 66.0(14) . . ?
Sc7 Sc22 Sc24 98.1(18) . . ?
Sc12 Sc22 Sc19 107(3) . . ?
Sc5 Sc22 Sc19 56.8(19) . . ?
Sc3 Sc22 Sc19 132(2) . . ?
Sc16 Sc22 Sc19 124.5(14) . . ?
Sc11 Sc22 Sc19 76.9(18) . . ?
Sc20 Sc22 Sc19 91.4(18) . . ?
Sc7 Sc22 Sc19 114.8(17) . . ?
Sc24 Sc22 Sc19 29.2(10) . . ?
Sc12 Sc22 Sc4 103(2) . . ?
Sc5 Sc22 Sc4 133(2) . . ?
Sc3 Sc22 Sc4 60.4(14) . . ?
Sc16 Sc22 Sc4 34.5(10) . . ?
Sc11 Sc22 Sc4 110.0(16) . . ?
Sc20 Sc22 Sc4 93.7(13) . . ?
Sc7 Sc22 Sc4 62.9(9) . . ?
Sc24 Sc22 Sc4 111.3(11) . . ?
Sc19 Sc22 Sc4 96.6(11) . . ?
Sc12 Sc22 Sc17 53.6(17) . . ?
Sc5 Sc22 Sc17 98(3) . . ?
Sc3 Sc22 Sc17 25.4(9) . . ?
Sc16 Sc22 Sc17 29.9(11) . . ?
Sc11 Sc22 Sc17 66.2(15) . . ?
Sc20 Sc22 Sc17 46.4(10) . . ?
Sc7 Sc22 Sc17 14.6(4) . . ?
Sc24 Sc22 Sc17 97.3(15) . . ?
Sc19 Sc22 Sc17 107.5(14) . . ?
Sc4 Sc22 Sc17 49.5(8) . . ?
Sc12 Sc22 Sc2 88(2) . . ?
Sc5 Sc22 Sc2 43.6(14) . . ?
Sc3 Sc22 Sc2 117(2) . . ?
Sc16 Sc22 Sc2 117.5(14) . . ?
Sc11 Sc22 Sc2 58.2(12) . . ?
Sc20 Sc22 Sc2 72.2(12) . . ?
Sc7 Sc22 Sc2 98.3(14) . . ?
Sc24 Sc22 Sc2 14.5(5) . . ?
Sc19 Sc22 Sc2 19.2(10) . . ?
Sc4 Sc22 Sc2 98.3(9) . . ?
Sc17 Sc22 Sc2 93.9(11) . . ?
Sc6 Sc23 Sc2 101(3) . . ?
Sc6 Sc23 Sc10 35.8(18) . . ?
Sc2 Sc23 Sc10 129(2) . . ?
Sc6 Sc23 Sc19 146(3) . . ?
Sc2 Sc23 Sc19 52.9(18) . . ?
Sc10 Sc23 Sc19 140.4(16) . . ?
Sc6 Sc23 Sc8 51(2) . . ?
Sc2 Sc23 Sc8 50.8(14) . . ?
Sc10 Sc23 Sc8 80(2) . . ?
Sc19 Sc23 Sc8 99(2) . . ?
Sc6 Sc23 Sc21 21.2(14) . . ?
Sc2 Sc23 Sc21 83.1(16) . . ?
Sc10 Sc23 Sc21 47.8(17) . . ?
Sc19 Sc23 Sc21 125.1(19) . . ?
Sc8 Sc23 Sc21 32.9(11) . . ?
Sc6 Sc23 Sc24 112(2) . . ?
Sc2 Sc23 Sc24 19.0(9) . . ?
Sc10 Sc23 Sc24 129.7(15) . . ?
Sc19 Sc23 Sc24 37.0(18) . . ?
Sc8 Sc23 Sc24 62.7(13) . . ?
Sc21 Sc23 Sc24 91.8(12) . . ?
Sc6 Sc23 Sc18 64.9(16) . . ?
Sc2 Sc23 Sc18 128.3(10) . . ?
Sc10 Sc23 Sc18 31.6(14) . . ?
Sc19 Sc23 Sc18 111.0(13) . . ?
Sc8 Sc23 Sc18 96.6(11) . . ?
Sc21 Sc23 Sc18 69.0(9) . . ?
Sc24 Sc23 Sc18 117.3(6) . . ?
Sc6 Sc23 Sc5 118.0(17) . . ?
Sc2 Sc23 Sc5 41.1(10) . . ?
Sc10 Sc23 Sc5 120.1(10) . . ?
Sc19 Sc23 Sc5 28.4(15) . . ?
Sc8 Sc23 Sc5 75.3(13) . . ?
Sc21 Sc23 Sc5 97.0(9) . . ?
Sc24 Sc23 Sc5 22.4(7) . . ?
Sc18 Sc23 Sc5 98.9(6) . . ?
Sc6 Sc23 Sc13 68.2(15) . . ?
Sc2 Sc23 Sc13 118.0(9) . . ?
Sc10 Sc23 Sc13 38.7(12) . . ?
Sc19 Sc23 Sc13 102.3(12) . . ?
Sc8 Sc23 Sc13 92.0(10) . . ?
Sc21 Sc23 Sc13 68.1(8) . . ?
Sc24 Sc23 Sc13 106.4(6) . . ?
Sc18 Sc23 Sc13 10.9(4) . . ?
Sc5 Sc23 Sc13 88.2(6) . . ?
Sc6 Sc23 Sc22 120.6(14) . . ?
Sc2 Sc23 Sc22 60.9(12) . . ?
Sc10 Sc23 Sc22 109.5(11) . . ?
Sc19 Sc23 Sc22 31.6(10) . . ?
Sc8 Sc23 Sc22 88.8(13) . . ?
Sc21 Sc23 Sc22 102.2(10) . . ?
Sc24 Sc23 Sc22 42.1(9) . . ?
Sc18 Sc23 Sc22 83.0(7) . . ?
Sc5 Sc23 Sc22 19.8(8) . . ?
Sc13 Sc23 Sc22 73.0(7) . . ?
Sc6 Sc23 Sc11 98.9(17) . . ?
Sc2 Sc23 Sc11 35.5(7) . . ?
Sc10 Sc23 Sc11 107.6(12) . . ?
Sc19 Sc23 Sc11 47.3(17) . . ?
Sc8 Sc23 Sc11 56.7(11) . . ?
Sc21 Sc23 Sc11 77.8(9) . . ?
Sc24 Sc23 Sc11 23.2(6) . . ?
Sc18 Sc23 Sc11 94.7(6) . . ?
Sc5 Sc23 Sc11 19.4(6) . . ?
Sc13 Sc23 Sc11 84.0(6) . . ?
Sc22 Sc23 Sc11 33.1(9) . . ?
Sc2 Sc24 Sc19 59.6(17) . . ?
Sc2 Sc24 Sc5 149.2(16) . . ?
Sc19 Sc24 Sc5 98(2) . . ?
Sc2 Sc24 Sc11 137.6(17) . . ?
Sc19 Sc24 Sc11 128.4(16) . . ?
Sc5 Sc24 Sc11 39.6(13) . . ?
Sc2 Sc24 Sc8 37.8(15) . . ?
Sc19 Sc24 Sc8 91(2) . . ?
Sc5 Sc24 Sc8 133.8(13) . . ?
Sc11 Sc24 Sc8 102.2(14) . . ?
Sc2 Sc24 Sc23 23.1(11) . . ?
Sc19 Sc24 Sc23 40.2(16) . . ?
Sc5 Sc24 Sc23 127.0(13) . . ?
Sc11 Sc24 Sc23 131.8(9) . . ?
Sc8 Sc24 Sc23 50.7(13) . . ?
Sc2 Sc24 Sc22 126.8(16) . . ?
Sc19 Sc24 Sc22 77.5(18) . . ?
Sc5 Sc24 Sc22 22.9(12) . . ?
Sc11 Sc24 Sc22 53.7(14) . . ?
Sc8 Sc24 Sc22 123.8(10) . . ?
Sc23 Sc24 Sc22 104.2(12) . . ?
Sc2 Sc24 Sc12 138.8(9) . . ?
Sc19 Sc24 Sc12 102.0(15) . . ?
Sc5 Sc24 Sc12 17.3(9) . . ?
Sc11 Sc24 Sc12 28.2(8) . . ?
Sc8 Sc24 Sc12 116.6(8) . . ?
Sc23 Sc24 Sc12 120.5(7) . . ?
Sc22 Sc24 Sc12 25.5(10) . . ?
Sc2 Sc24 Sc6 20.6(7) . . ?
Sc19 Sc24 Sc6 59.5(17) . . ?
Sc5 Sc24 Sc6 131.0(9) . . ?
Sc11 Sc24 Sc6 119.3(9) . . ?
Sc8 Sc24 Sc6 31.2(11) . . ?
Sc23 Sc24 Sc6 20.1(8) . . ?
Sc22 Sc24 Sc6 110.6(9) . . ?
Sc12 Sc24 Sc6 118.5(5) . . ?
Sc2 Sc24 Sc20 126.4(14) . . ?
Sc19 Sc24 Sc20 123.7(12) . . ?
Sc5 Sc24 Sc20 45.7(13) . . ?
Sc11 Sc24 Sc20 11.5(7) . . ?
Sc8 Sc24 Sc20 92.3(10) . . ?
Sc23 Sc24 Sc20 120.7(7) . . ?
Sc22 Sc24 Sc20 55.0(12) . . ?
Sc12 Sc24 Sc20 30.9(5) . . ?
Sc6 Sc24 Sc20 107.8(7) . . ?
Sc2 Sc24 Sc21 37.7(12) . . ?
Sc19 Sc24 Sc21 81.5(17) . . ?
Sc5 Sc24 Sc21 124.9(10) . . ?
Sc11 Sc24 Sc21 99.9(11) . . ?
Sc8 Sc24 Sc21 13.7(8) . . ?
Sc23 Sc24 Sc21 43.5(10) . . ?
Sc22 Sc24 Sc21 111.4(8) . . ?
Sc12 Sc24 Sc21 108.4(6) . . ?
Sc6 Sc24 Sc21 23.5(7) . . ?
Sc20 Sc24 Sc21 88.9(8) . . ?
Sc2 Sc24 Sc25 107.0(15) . . ?
Sc19 Sc24 Sc25 124.8(12) . . ?
Sc5 Sc24 Sc25 66.3(14) . . ?
Sc11 Sc24 Sc25 30.9(10) . . ?
Sc8 Sc24 Sc25 71.4(11) . . ?
Sc23 Sc24 Sc25 106.7(9) . . ?
Sc22 Sc24 Sc25 71.6(13) . . ?
Sc12 Sc24 Sc25 50.3(8) . . ?
Sc6 Sc24 Sc25 90.4(8) . . ?
Sc20 Sc24 Sc25 21.1(7) . . ?
Sc21 Sc24 Sc25 69.4(8) . . ?
Sc20 Sc25 Sc11 26.3(14) . . ?
Sc20 Sc25 Sc7 52.1(19) . . ?
Sc11 Sc25 Sc7 73.7(19) . . ?
Sc20 Sc25 Sc17 77(2) . . ?
Sc11 Sc25 Sc17 95(2) . . ?
Sc7 Sc25 Sc17 25.3(7) . . ?
Sc20 Sc25 Sc12 16.5(10) . . ?
Sc11 Sc25 Sc12 28.9(11) . . ?
Sc7 Sc25 Sc12 44.8(11) . . ?
Sc17 Sc25 Sc12 66.8(13) . . ?
Sc20 Sc25 Sc15 106(2) . . ?
Sc11 Sc25 Sc15 116.4(18) . . ?
Sc7 Sc25 Sc15 58.1(10) . . ?
Sc17 Sc25 Sc15 33.5(8) . . ?
Sc12 Sc25 Sc15 92.3(12) . . ?
Sc20 Sc25 Sc3 36.9(17) . . ?
Sc11 Sc25 Sc3 55.5(15) . . ?
Sc7 Sc25 Sc3 18.8(8) . . ?
Sc17 Sc25 Sc3 40.6(10) . . ?
Sc12 Sc25 Sc3 26.5(7) . . ?
Sc15 Sc25 Sc3 69.4(10) . . ?
Sc20 Sc25 Sc5 30.2(14) . . ?
Sc11 Sc25 Sc5 14.2(8) . . ?
Sc7 Sc25 Sc5 67.2(14) . . ?
Sc17 Sc25 Sc5 85.8(15) . . ?
Sc12 Sc25 Sc5 24.0(6) . . ?
Sc15 Sc25 Sc5 103.0(12) . . ?
Sc3 Sc25 Sc5 48.4(10) . . ?
Sc20 Sc25 Sc24 59.5(18) . . ?
Sc11 Sc25 Sc24 35.2(10) . . ?
Sc7 Sc25 Sc24 92.9(14) . . ?
Sc17 Sc25 Sc24 104.4(14) . . ?
Sc12 Sc25 Sc24 53.7(8) . . ?
Sc15 Sc25 Sc24 105.9(10) . . ?
Sc3 Sc25 Sc24 74.9(11) . . ?
Sc5 Sc25 Sc24 30.2(7) . . ?
Sc20 Sc25 Sc8 97(2) . . ?
Sc11 Sc25 Sc8 73.3(13) . . ?
Sc7 Sc25 Sc8 115.7(14) . . ?
Sc17 Sc25 Sc8 111.7(11) . . ?
Sc12 Sc25 Sc8 88.8(11) . . ?
Sc15 Sc25 Sc8 91.9(8) . . ?
Sc3 Sc25 Sc8 102.5(12) . . ?
Sc5 Sc25 Sc8 67.3(10) . . ?
Sc24 Sc25 Sc8 38.2(8) . . ?
Sc20 Sc25 Sc16 51.1(18) . . ?
Sc11 Sc25 Sc16 66.5(15) . . ?
Sc7 Sc25 Sc16 17.1(6) . . ?
Sc17 Sc25 Sc16 29.1(9) . . ?
Sc12 Sc25 Sc16 38.6(7) . . ?
Sc15 Sc25 Sc16 55.0(9) . . ?
Sc3 Sc25 Sc16 14.8(4) . . ?
Sc5 Sc25 Sc16 56.8(10) . . ?
Sc24 Sc25 Sc16 78.6(10) . . ?
Sc8 Sc25 Sc16 98.6(11) . . ?
Sc20 Sc25 Sc22 30.5(13) . . ?
Sc11 Sc25 Sc22 33.0(13) . . ?
Sc7 Sc25 Sc22 47.0(12) . . ?
Sc17 Sc25 Sc22 64.2(13) . . ?
Sc12 Sc25 Sc22 14.4(5) . . ?
Sc15 Sc25 Sc22 83.8(12) . . ?
Sc3 Sc25 Sc22 28.5(9) . . ?
Sc5 Sc25 Sc22 21.7(7) . . ?
Sc24 Sc25 Sc22 46.4(9) . . ?
Sc8 Sc25 Sc22 77.5(11) . . ?
Sc16 Sc25 Sc22 35.2(9) . . ?
C45 C1 C5 126.7(11) . . ?
C45 C1 C2 118.7(8) . . ?
C5 C1 C2 102.5(11) . . ?
C42 C2 C3 116.4(15) . . ?
C42 C2 C1 122.3(8) . . ?
C3 C2 C1 113.0(14) . . ?
C2 C3 C80 128.9(16) . . ?
C2 C3 C4 106.3(15) . . ?
C80 C3 C4 115.1(14) . . ?
C9 C4 C5 120.3(8) . . ?
C9 C4 C3 122.0(12) . . ?
C5 C4 C3 106.3(13) . . ?
C6 C5 C4 120.0(8) . . ?
C6 C5 C1 122.3(13) . . ?
C4 C5 C1 111.8(13) . . ?
C5 C6 C7 121.5(8) . . ?
C5 C6 C67 107.5(12) . . ?
C7 C6 C67 121.6(12) . . ?
C6 C7 C66 118.3(9) . . ?
C6 C7 C8 120.1(7) . . ?
C66 C7 C8 110.0(6) . . ?
C13 C8 C9 127.8(9) . . ?
C13 C8 C7 106.8(7) . . ?
C9 C8 C7 117.5(7) . . ?
C10 C9 C4 115.2(14) . . ?
C10 C9 C8 115.3(14) . . ?
C4 C9 C8 120.3(8) . . ?
C9 C10 C68 126.2(13) . . ?
C9 C10 C11 120.0(13) . . ?
C68 C10 C11 106.7(7) . . ?
C12 C11 C70 119.1(8) . . ?
C12 C11 C10 121.1(10) . . ?
C70 C11 C10 109.0(7) . . ?
C11 C12 C13 122.8(14) . . ?
C11 C12 C17 120.6(8) . . ?
C13 C12 C17 109.8(13) . . ?
C12 C13 C8 112.6(12) . . ?
C12 C13 C14 128.3(12) . . ?
C8 C13 C14 110.2(7) . . ?
C15 C14 C13 123.5(9) . . ?
C15 C14 C66 118.7(7) . . ?
C13 C14 C66 106.3(6) . . ?
C14 C15 C59 123.1(8) . . ?
C14 C15 C16 112.8(10) . . ?
C59 C15 C16 118.9(8) . . ?
C20 C16 C17 107.4(13) . . ?
C20 C16 C15 121.5(8) . . ?
C17 C16 C15 118.1(12) . . ?
C18 C17 C12 120.5(9) . . ?
C18 C17 C16 105.3(13) . . ?
C12 C17 C16 125.9(13) . . ?
C17 C18 C19 110.6(10) . . ?
C17 C18 C71 120.2(8) . . ?
C19 C18 C71 119.6(7) . . ?
C20 C19 C18 105.7(10) . . ?
C20 C19 C24 122.8(8) . . ?
C18 C19 C24 120.9(7) . . ?
C19 C20 C16 110.9(11) . . ?
C19 C20 C21 117.9(8) . . ?
C16 C20 C21 119.7(7) . . ?
C22 C21 C58 116.0(11) . . ?
C22 C21 C20 120.9(8) . . ?
C58 C21 C20 116.1(7) . . ?
C21 C22 C55 130.0(15) . . ?
C21 C22 C23 121.8(9) . . ?
C55 C22 C23 99.5(13) . . ?
C24 C23 C28 122.3(7) . . ?
C24 C23 C22 117.8(7) . . ?
C28 C23 C22 105.5(9) . . ?
C23 C24 C25 118.8(7) . . ?
C23 C24 C19 117.8(7) . . ?
C25 C24 C19 118.9(7) . . ?
C24 C25 C26 118.7(7) . . ?
C24 C25 C72 120.5(7) . . ?
C26 C25 C72 110.1(8) . . ?
C78 C26 C27 121.5(7) . . ?
C78 C26 C25 106.8(9) . . ?
C27 C26 C25 122.5(7) . . ?
C26 C27 C28 117.2(8) . . ?
C26 C27 C32 118.6(8) . . ?
C28 C27 C32 115.8(11) . . ?
C29 C28 C23 119.3(15) . . ?
C29 C28 C27 112.3(14) . . ?
C23 C28 C27 119.7(8) . . ?
C30 C29 C28 137(2) . . ?
C30 C29 C55 117.9(17) . . ?
C28 C29 C55 96.5(14) . . ?
C54 C30 C29 126(2) . . ?
C54 C30 C31 111.4(18) . . ?
C29 C30 C31 113.9(18) . . ?
C35 C31 C32 108.6(7) . . ?
C35 C31 C30 129.5(13) . . ?
C32 C31 C30 112.9(12) . . ?
C33 C32 C31 106.8(7) . . ?
C33 C32 C27 115.9(7) . . ?
C31 C32 C27 127.5(9) . . ?
C77 C33 C32 123.5(8) . . ?
C77 C33 C34 118.5(10) . . ?
C32 C33 C34 109.4(6) . . ?
C39 C34 C35 118.3(7) . . ?
C39 C34 C33 126.5(9) . . ?
C35 C34 C33 104.6(6) . . ?
C36 C35 C31 118.9(10) . . ?
C36 C35 C34 120.4(7) . . ?
C31 C35 C34 110.6(7) . . ?
C37 C36 C35 121.1(9) . . ?
C37 C36 C50 123.1(14) . . ?
C35 C36 C50 109.3(14) . . ?
C49 C37 C36 120.5(15) . . ?
C49 C37 C38 109.2(14) . . ?
C36 C37 C38 120.9(8) . . ?
C43 C38 C39 122.6(8) . . ?
C43 C38 C37 105.1(11) . . ?
C39 C38 C37 117.3(7) . . ?
C40 C39 C34 115.0(11) . . ?
C40 C39 C38 119.5(8) . . ?
C34 C39 C38 121.1(7) . . ?
C39 C40 C41 120.8(7) . . ?
C39 C40 C76 119.0(9) . . ?
C41 C40 C76 110.2(7) . . ?
C79 C41 C40 106.7(7) . . ?
C79 C41 C42 121.4(9) . . ?
C40 C41 C42 121.1(7) . . ?
C2 C42 C41 121.0(10) . . ?
C2 C42 C43 117.9(8) . . ?
C41 C42 C43 114.5(6) . . ?
C38 C43 C44 109.2(11) . . ?
C38 C43 C42 120.2(7) . . ?
C44 C43 C42 120.9(8) . . ?
C43 C44 C49 108.2(10) . . ?
C43 C44 C45 121.0(8) . . ?
C49 C44 C45 120.2(8) . . ?
C46 C45 C1 115.5(11) . . ?
C46 C45 C44 121.6(8) . . ?
C1 C45 C44 118.6(7) . . ?
C45 C46 C67 115.7(12) . . ?
C45 C46 C47 119.4(8) . . ?
C67 C46 C47 112.5(11) . . ?
C48 C47 C63 129.3(13) . . ?
C48 C47 C46 118.7(8) . . ?
C63 C47 C46 102.1(11) . . ?
C47 C48 C51 118.7(15) . . ?
C47 C48 C49 121.4(8) . . ?
C51 C48 C49 112.8(14) . . ?
C37 C49 C44 108.2(15) . . ?
C37 C49 C48 124.4(15) . . ?
C44 C49 C48 118.0(8) . . ?
C51 C50 C36 112.9(13) . . ?
C51 C50 C54 109.0(7) . . ?
C36 C50 C54 127.8(13) . . ?
C48 C51 C50 126.0(14) . . ?
C48 C51 C52 116.3(14) . . ?
C50 C51 C52 108.7(7) . . ?
C62 C52 C51 125.4(10) . . ?
C62 C52 C53 118.3(8) . . ?
C51 C52 C53 106.6(7) . . ?
C56 C53 C54 121.9(11) . . ?
C56 C53 C52 120.5(8) . . ?
C54 C53 C52 107.6(7) . . ?
C30 C54 C50 122.3(16) . . ?
C30 C54 C53 121.1(16) . . ?
C50 C54 C53 108.1(7) . . ?
C22 C55 C56 116.9(15) . . ?
C22 C55 C29 118.8(16) . . ?
C56 C55 C29 113.5(13) . . ?
C53 C56 C57 121.5(8) . . ?
C53 C56 C55 119.1(13) . . ?
C57 C56 C55 112.1(12) . . ?
C61 C57 C58 111.0(13) . . ?
C61 C57 C56 119.6(8) . . ?
C58 C57 C56 120.2(12) . . ?
C57 C58 C21 124.4(12) . . ?
C57 C58 C59 103.4(12) . . ?
C21 C58 C59 122.3(8) . . ?
C15 C59 C58 121.0(7) . . ?
C15 C59 C60 116.5(7) . . ?
C58 C59 C60 113.1(9) . . ?
C65 C60 C61 136.0(11) . . ?
C65 C60 C59 117.8(8) . . ?
C61 C60 C59 96.9(10) . . ?
C57 C61 C60 115.4(12) . . ?
C57 C61 C62 118.5(8) . . ?
C60 C61 C62 117.1(12) . . ?
C52 C62 C61 121.5(8) . . ?
C52 C62 C63 115.8(13) . . ?
C61 C62 C63 113.5(13) . . ?
C47 C63 C62 114.0(15) . . ?
C47 C63 C64 111.7(12) . . ?
C62 C63 C64 124.4(13) . . ?
C67 C64 C65 126.3(14) . . ?
C67 C64 C63 107.1(12) . . ?
C65 C64 C63 116.3(12) . . ?
C66 C65 C60 124.2(8) . . ?
C66 C65 C64 113.7(12) . . ?
C60 C65 C64 112.2(12) . . ?
C65 C66 C7 127.5(9) . . ?
C65 C66 C14 119.5(7) . . ?
C7 C66 C14 106.6(6) . . ?
C64 C67 C6 112.3(13) . . ?
C64 C67 C46 106.5(13) . . ?
C6 C67 C46 130.7(14) . . ?
C80 C68 C10 123.1(10) . . ?
C80 C68 C69 120.2(8) . . ?
C10 C68 C69 108.5(7) . . ?
C74 C69 C70 125.4(9) . . ?
C74 C69 C68 117.5(7) . . ?
C70 C69 C68 106.9(7) . . ?
C71 C70 C11 121.2(7) . . ?
C71 C70 C69 121.2(10) . . ?
C11 C70 C69 108.8(7) . . ?
C70 C71 C72 113.0(10) . . ?
C70 C71 C18 118.3(7) . . ?
C72 C71 C18 120.9(7) . . ?
C73 C72 C71 129.2(12) . . ?
C73 C72 C25 102.2(11) . . ?
C71 C72 C25 118.8(7) . . ?
C72 C73 C74 115.5(15) . . ?
C72 C73 C78 111.2(13) . . ?
C74 C73 C78 124.4(14) . . ?
C75 C74 C69 123.3(8) . . ?
C75 C74 C73 113.3(13) . . ?
C69 C74 C73 115.2(13) . . ?
C74 C75 C79 117.7(8) . . ?
C74 C75 C76 125.0(10) . . ?
C79 C75 C76 108.6(7) . . ?
C75 C76 C77 123.4(11) . . ?
C75 C76 C40 103.8(6) . . ?
C77 C76 C40 122.2(11) . . ?
C33 C77 C78 120.9(9) . . ?
C33 C77 C76 118.1(12) . . ?
C78 C77 C76 112.8(12) . . ?
C26 C78 C77 119.6(9) . . ?
C26 C78 C73 109.5(11) . . ?
C77 C78 C73 120.7(12) . . ?
C41 C79 C80 120.7(9) . . ?
C41 C79 C75 110.6(7) . . ?
C80 C79 C75 118.9(7) . . ?
C68 C80 C79 122.4(8) . . ?
C68 C80 C3 118.3(13) . . ?
C79 C80 C3 111.0(13) . . ?
N2P Ni1P N4P 177.77(8) . . ?
N2P Ni1P N1P 90.17(9) . . ?
N4P Ni1P N1P 89.77(10) . . ?
N2P Ni1P N3P 89.80(9) . . ?
N4P Ni1P N3P 90.19(10) . . ?
N1P Ni1P N3P 177.95(8) . . ?
C1P N1P C4P 103.9(2) . . ?
C1P N1P Ni1P 128.16(19) . . ?
C4P N1P Ni1P 127.89(16) . . ?
C6P N2P C9P 104.1(2) . . ?
C6P N2P Ni1P 127.62(16) . . ?
C9P N2P Ni1P 128.30(17) . . ?
C14P N3P C11P 104.6(2) . . ?
C14P N3P Ni1P 127.71(18) . . ?
C11P N3P Ni1P 127.65(18) . . ?
C16P N4P C19P 104.2(2) . . ?
C16P N4P Ni1P 128.01(18) . . ?
C19P N4P Ni1P 127.78(19) . . ?
C20P C1P N1P 125.1(2) . . ?
C20P C1P C2P 123.2(2) . . ?
N1P C1P C2P 111.7(2) . . ?
C3P C2P C1P 106.5(2) . . ?
C3P C2P C21P 128.3(3) . . ?
C1P C2P C21P 125.1(3) . . ?
C2P C3P C4P 105.8(2) . . ?
C2P C3P C23P 128.7(3) . . ?
C4P C3P C23P 125.4(3) . . ?
C5P C4P N1P 125.0(2) . . ?
C5P C4P C3P 122.9(3) . . ?
N1P C4P C3P 112.1(2) . . ?
C4P C5P C6P 124.0(3) . . ?
N2P C6P C5P 125.3(2) . . ?
N2P C6P C7P 111.7(2) . . ?
C5P C6P C7P 122.9(3) . . ?
C8P C7P C6P 106.1(2) . . ?
C8P C7P C25P 129.4(3) . . ?
C6P C7P C25P 124.5(3) . . ?
C7P C8P C9P 106.5(2) . . ?
C7P C8P C27P 128.2(3) . . ?
C9P C8P C27P 125.3(3) . . ?
C10P C9P N2P 124.9(2) . . ?
C10P C9P C8P 123.5(2) . . ?
N2P C9P C8P 111.6(2) . . ?
C11P C10P C9P 123.9(2) . . ?
C10P C11P N3P 125.5(2) . . ?
C10P C11P C12P 123.1(3) . . ?
N3P C11P C12P 111.4(2) . . ?
C13P C12P C11P 105.9(2) . . ?
C13P C12P C29P 129.0(3) . . ?
C11P C12P C29P 125.0(3) . . ?
C12P C13P C14P 106.8(2) . . ?
C12P C13P C31P 128.2(3) . . ?
C14P C13P C31P 124.9(3) . . ?
N3P C14P C15P 124.6(3) . . ?
N3P C14P C13P 111.2(3) . . ?
C15P C14P C13P 124.1(3) . . ?
C16P C15P C14P 124.6(3) . . ?
C15P C16P N4P 124.9(2) . . ?
C15P C16P C17P 124.4(3) . . ?
N4P C16P C17P 110.8(3) . . ?
C18P C17P C16P 107.2(3) . . ?
C18P C17P C33P 127.8(3) . . ?
C16P C17P C33P 125.0(3) . . ?
C17P C18P C19P 106.2(2) . . ?
C17P C18P C35P 128.3(3) . . ?
C19P C18P C35P 125.5(3) . . ?
C20P C19P N4P 125.4(2) . . ?
C20P C19P C18P 123.0(2) . . ?
N4P C19P C18P 111.6(2) . . ?
C19P C20P C1P 123.7(2) . . ?
C2P C21P C22P 111.6(3) . . ?
C3P C23P C24P 112.5(3) . . ?
C7P C25P C26P 112.8(3) . . ?
C8P C27P C28P 112.7(3) . . ?
C12P C29P C30P 113.4(3) . . ?
C13P C31P C32P 112.6(4) . . ?
C17P C33P C34P 112.5(4) . . ?
C18P C35P C36P 113.7(3) . . ?
C6S C1S C2S 121.3(6) . . ?
C3S C2S C1S 121.8(7) . . ?
C2S C3S C4S 120.5(7) . . ?
C3S C4S C5S 119.9(7) . . ?
C4S C5S C6S 117.2(6) . . ?
C1S C6S C5S 119.2(6) . . ?
C8S C7S C12S 120.0 . . ?
C9S C8S C7S 120.0 . . ?
C8S C9S C10S 120.0 . . ?
C11S C10S C9S 120.0 . . ?
C10S C11S C12S 120.0 . . ?
C11S C12S C7S 120.0 . . ?

_refine_diff_density_max         1.057
_refine_diff_density_min         -0.707
_refine_diff_density_rms         0.126



####################################################################### 
# 
# 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_c60-100k
_database_code_depnum_ccdc_archive 'CCDC 2027151'
loop_
_audit_author_name
_audit_author_address
'Fupin Liu'
;Leibniz Institute for Solid State and Materials Research, Dresden
Germany
;
_audit_update_record             
;
2020-09-03 deposited with the CCDC.	2020-11-03 downloaded from the CCDC.
;
# start Validation Reply Form
_vrf_PLAT029_c60-100k            
;
PROBLEM: diffrn_measured_fraction_theta_full value low
RESPONSE: This is caused by the limited phi scan with synchrotron radiation 
X-ray diffraction facility
;

_audit_creation_method           SHELXL-2018/3
_shelx_SHELXL_version_number     2018/3
_chemical_name_systematic        ?
_chemical_name_common            ;C60/NiOEP/2C6H6;
_chemical_melting_point          ?
_chemical_formula_moiety         ;C60/NiOEP/2C6H6;
_chemical_formula_sum            'C108 H56 N4 Ni'
_chemical_formula_weight         1468.27

loop_
_atom_type_symbol
_atom_type_description
_atom_type_scat_dispersion_real
_atom_type_scat_dispersion_imag
_atom_type_scat_source
C C 0.0048 0.0021 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
H H 0.0000 0.0000 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
N N 0.0087 0.0042 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Ni Ni 0.3285 1.3900 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'

_space_group_crystal_system      triclinic
_space_group_IT_number           2
_space_group_name_H-M_alt        'P -1'
_space_group_name_Hall           '-P 1'

_shelx_space_group_comment       
;
The symmetry employed for this shelxl refinement is uniquely defined
by the following loop, which should always be used as a source of
symmetry information in preference to the above space-group names.
They are only intended as comments.
;

loop_
_space_group_symop_operation_xyz
'x, y, z'
'-x, -y, -z'

_cell_length_a                   14.130(3)
_cell_length_b                   14.380(3)
_cell_length_c                   17.200(3)
_cell_angle_alpha                87.54(3)
_cell_angle_beta                 75.78(3)
_cell_angle_gamma                75.61(3)
_cell_volume                     3280.9(13)
_cell_formula_units_Z            2
_cell_measurement_temperature    100(2)
_cell_measurement_reflns_used    59876
_cell_measurement_theta_min      2.072
_cell_measurement_theta_max      36.615

_exptl_crystal_description       block
_exptl_crystal_colour            black
_exptl_crystal_density_meas      ?
_exptl_crystal_density_method    ?
_exptl_crystal_density_diffrn    1.486
_exptl_crystal_F_000             1520
_exptl_transmission_factor_min   ?
_exptl_transmission_factor_max   ?
_exptl_crystal_size_max          0.200
_exptl_crystal_size_mid          0.100
_exptl_crystal_size_min          0.080
_exptl_absorpt_coefficient_mu    0.492
_shelx_estimated_absorpt_T_min   0.908
_shelx_estimated_absorpt_T_max   0.962
_exptl_absorpt_correction_type   ?
_exptl_absorpt_correction_T_min  ?
_exptl_absorpt_correction_T_max  ?
_exptl_absorpt_process_details   ?
_exptl_absorpt_special_details   ?
_diffrn_ambient_temperature      100(2)
_diffrn_radiation_wavelength     0.7999
_diffrn_radiation_type           synchrotron
_diffrn_source                   'BESSY BL MX-14.2'
_diffrn_measurement_device_type  PILATUS
_diffrn_measurement_method       'phi scan'
_diffrn_detector_area_resol_mean ?
_diffrn_reflns_number            59876
_diffrn_reflns_av_unetI/netI     0.0206
_diffrn_reflns_av_R_equivalents  0.0225
_diffrn_reflns_limit_h_min       -20
_diffrn_reflns_limit_h_max       20
_diffrn_reflns_limit_k_min       -21
_diffrn_reflns_limit_k_max       21
_diffrn_reflns_limit_l_min       -24
_diffrn_reflns_limit_l_max       24
_diffrn_reflns_theta_min         2.072
_diffrn_reflns_theta_max         36.615
_diffrn_reflns_theta_full        28.681
_diffrn_measured_fraction_theta_max 0.779
_diffrn_measured_fraction_theta_full 0.911
_diffrn_reflns_Laue_measured_fraction_max 0.779
_diffrn_reflns_Laue_measured_fraction_full 0.911
_diffrn_reflns_point_group_measured_fraction_max 0.779
_diffrn_reflns_point_group_measured_fraction_full 0.911
_reflns_number_total             17754
_reflns_number_gt                17546
_reflns_threshold_expression     'I > 2σ(I)'
_reflns_Friedel_coverage         0.000
_reflns_Friedel_fraction_max     .
_reflns_Friedel_fraction_full    .

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

_computing_data_collection       XDS
_computing_cell_refinement       XDS
_computing_data_reduction        XDS
_computing_structure_solution    'SHELXT 2018/2 (Sheldrick, 2018)'
_computing_structure_refinement  'SHELXL-2018/3 (Sheldrick, 2018)'
_computing_molecular_graphics    ?
_computing_publication_material  ?
_refine_special_details          ?
_refine_ls_structure_factor_coef Fsqd
_refine_ls_matrix_type           full
_refine_ls_weighting_scheme      calc
_refine_ls_weighting_details     
'w=1/[σ²(Fo²)+(0.0507P)²+2.0925P] where P=(Fo²+2Fc²)/3'
_atom_sites_solution_primary     ?
_atom_sites_solution_secondary   ?
_atom_sites_solution_hydrogens   geom
_refine_ls_hydrogen_treatment    constr
_refine_ls_extinction_method     none
_refine_ls_extinction_coef       .
_refine_ls_number_reflns         17754
_refine_ls_number_parameters     1026
_refine_ls_number_restraints     0
_refine_ls_R_factor_all          0.0385
_refine_ls_R_factor_gt           0.0383
_refine_ls_wR_factor_ref         0.1015
_refine_ls_wR_factor_gt          0.1013
_refine_ls_goodness_of_fit_ref   1.039
_refine_ls_restrained_S_all      1.039
_refine_ls_shift/su_max          0.003
_refine_ls_shift/su_mean         0.000

loop_
_atom_site_label
_atom_site_type_symbol
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_U_iso_or_equiv
_atom_site_adp_type
_atom_site_occupancy
_atom_site_site_symmetry_order
_atom_site_calc_flag
_atom_site_refinement_flags_posn
_atom_site_refinement_flags_adp
_atom_site_refinement_flags_occupancy
_atom_site_disorder_assembly
_atom_site_disorder_group
C1 C 0.42773(9) 0.29978(10) 0.23983(8) 0.0202(2) Uani 1 1 d . . . . .
C2 C 0.44161(9) 0.31045(10) 0.31970(8) 0.0212(3) Uani 1 1 d . . . . .
C3 C 0.35975(11) 0.38795(10) 0.36088(8) 0.0225(3) Uani 1 1 d . . . . .
C4 C 0.29543(11) 0.42459(9) 0.30705(9) 0.0224(3) Uani 1 1 d . . . . .
C5 C 0.33710(10) 0.37010(9) 0.23240(8) 0.0206(2) Uani 1 1 d . . . . .
C6 C 0.27379(10) 0.34649(10) 0.19007(8) 0.0213(2) Uani 1 1 d . . . . .
C7 C 0.16587(11) 0.37645(10) 0.22093(9) 0.0241(3) Uani 1 1 d . . . . .
C8 C 0.12533(11) 0.42895(9) 0.29247(10) 0.0265(3) Uani 1 1 d . . . . .
C9 C 0.19134(11) 0.45374(9) 0.33661(10) 0.0262(3) Uani 1 1 d . . . . .
C10 C 0.14767(12) 0.44671(9) 0.42150(10) 0.0289(3) Uani 1 1 d . . . . .
C11 C 0.05416(11) 0.41762(10) 0.42970(11) 0.0315(3) Uani 1 1 d . . . . .
C12 C 0.04056(10) 0.40665(10) 0.35029(11) 0.0296(3) Uani 1 1 d . . . . .
C13 C -0.00049(10) 0.33311(11) 0.33399(11) 0.0288(3) Uani 1 1 d . . . . .
C14 C -0.02934(9) 0.26810(12) 0.39682(10) 0.0299(3) Uani 1 1 d . . . . .
C15 C -0.01633(10) 0.27861(12) 0.47333(10) 0.0323(3) Uani 1 1 d . . . . .
C16 C 0.02622(11) 0.35542(12) 0.49005(10) 0.0333(4) Uani 1 1 d . . . . .
C17 C 0.08996(13) 0.31927(12) 0.54449(9) 0.0337(4) Uani 1 1 d . . . . .
C18 C 0.08766(13) 0.21973(13) 0.56107(8) 0.0328(4) Uani 1 1 d . . . . .
C19 C 0.02145(12) 0.19523(13) 0.51687(9) 0.0320(4) Uani 1 1 d . . . . .
C20 C 0.04462(12) 0.10384(12) 0.48292(9) 0.0287(3) Uani 1 1 d . . . . .
C21 C 0.13518(13) 0.03334(11) 0.49055(9) 0.0278(3) Uani 1 1 d . . . . .
C22 C 0.19872(14) 0.05701(12) 0.53251(9) 0.0304(3) Uani 1 1 d . . . . .
C23 C 0.17374(14) 0.15270(13) 0.56862(8) 0.0321(4) Uani 1 1 d . . . . .
C24 C 0.26736(14) 0.18097(13) 0.56005(8) 0.0307(3) Uani 1 1 d . . . . .
C25 C 0.34980(13) 0.10356(12) 0.51870(9) 0.0294(3) Uani 1 1 d . . . . .
C26 C 0.30681(13) 0.02685(12) 0.50159(10) 0.0295(3) Uani 1 1 d . . . . .
C27 C 0.34728(12) -0.02532(10) 0.42987(10) 0.0274(3) Uani 1 1 d . . . . .
C28 C 0.43206(11) -0.00322(10) 0.37203(11) 0.0270(3) Uani 1 1 d . . . . .
C29 C 0.47322(10) 0.07011(11) 0.38814(10) 0.0267(3) Uani 1 1 d . . . . .
C30 C 0.43089(11) 0.12446(12) 0.46326(10) 0.0278(3) Uani 1 1 d . . . . .
C31 C 0.43369(11) 0.22374(12) 0.44667(9) 0.0258(3) Uani 1 1 d . . . . .
C32 C 0.47737(9) 0.23061(11) 0.36148(9) 0.0235(3) Uani 1 1 d . . . . .
C33 C 0.50188(9) 0.13545(11) 0.32550(9) 0.0244(3) Uani 1 1 d . . . . .
C34 C 0.48859(9) 0.12546(10) 0.24899(9) 0.0230(3) Uani 1 1 d . . . . .
C35 C 0.45074(9) 0.20875(10) 0.20584(8) 0.0211(3) Uani 1 1 d . . . . .
C36 C 0.38440(10) 0.18416(10) 0.16196(7) 0.0205(2) Uani 1 1 d . . . . .
C37 C 0.38134(10) 0.08498(10) 0.17873(8) 0.0221(3) Uani 1 1 d . . . . .
C38 C 0.44560(10) 0.04869(10) 0.23242(9) 0.0238(3) Uani 1 1 d . . . . .
C39 C 0.41818(10) -0.01398(9) 0.29214(10) 0.0254(3) Uani 1 1 d . . . . .
C40 C 0.32478(11) -0.04308(9) 0.30083(9) 0.0245(3) Uani 1 1 d . . . . .
C41 C 0.26290(11) -0.00803(9) 0.24936(8) 0.0228(3) Uani 1 1 d . . . . .
C42 C 0.29202(10) 0.05716(10) 0.18669(8) 0.0215(3) Uani 1 1 d . . . . .
C43 C 0.20204(10) 0.12737(10) 0.17861(8) 0.0211(3) Uani 1 1 d . . . . .
C44 C 0.11690(10) 0.10554(10) 0.23670(8) 0.0225(3) Uani 1 1 d . . . . .
C45 C 0.15447(11) 0.02182(10) 0.28027(8) 0.0224(3) Uani 1 1 d . . . . .
C46 C 0.11251(11) 0.01546(10) 0.36208(9) 0.0238(3) Uani 1 1 d . . . . .
C47 C 0.03052(10) 0.09307(11) 0.40323(9) 0.0261(3) Uani 1 1 d . . . . .
C48 C -0.00521(9) 0.17301(11) 0.36117(9) 0.0263(3) Uani 1 1 d . . . . .
C49 C 0.03890(10) 0.17948(11) 0.27602(9) 0.0242(3) Uani 1 1 d . . . . .
C50 C 0.04164(10) 0.27872(11) 0.25926(10) 0.0256(3) Uani 1 1 d . . . . .
C51 C 0.12306(10) 0.29972(11) 0.20403(9) 0.0234(3) Uani 1 1 d . . . . .
C52 C 0.20509(10) 0.22221(11) 0.16314(8) 0.0215(2) Uani 1 1 d . . . . .
C53 C 0.29828(10) 0.25108(10) 0.15438(7) 0.0207(2) Uani 1 1 d . . . . .
C54 C 0.28076(12) -0.04986(9) 0.38591(10) 0.0257(3) Uani 1 1 d . . . . .
C55 C 0.17700(12) -0.02108(10) 0.41573(9) 0.0251(3) Uani 1 1 d . . . . .
C56 C 0.17992(13) 0.34653(12) 0.53622(9) 0.0314(3) Uani 1 1 d . . . . .
C57 C 0.20900(12) 0.41193(10) 0.47325(9) 0.0293(3) Uani 1 1 d . . . . .
C58 C 0.31775(11) 0.38126(10) 0.44252(9) 0.0254(3) Uani 1 1 d . . . . .
C59 C 0.35526(12) 0.29769(12) 0.48578(8) 0.0272(3) Uani 1 1 d . . . . .
C60 C 0.26968(13) 0.27605(13) 0.54416(8) 0.0298(3) Uani 1 1 d . . . . .
Ni1P Ni 0.53481(2) 0.41337(2) 0.11269(2) 0.00846(4) Uani 1 1 d . . . . .
N1P N 0.41672(7) 0.52140(7) 0.12628(6) 0.01024(16) Uani 1 1 d . . . . .
N2P N 0.48452(6) 0.35137(7) 0.03786(6) 0.00985(16) Uani 1 1 d . . . . .
N3P N 0.65193(7) 0.30494(7) 0.10034(6) 0.01069(17) Uani 1 1 d . . . . .
N4P N 0.58431(7) 0.47424(7) 0.18843(6) 0.01161(17) Uani 1 1 d . . . . .
C1P C 0.38616(8) 0.59601(8) 0.18178(7) 0.01165(19) Uani 1 1 d . . . . .
C2P C 0.29194(8) 0.66016(8) 0.17479(7) 0.0130(2) Uani 1 1 d . . . . .
C3P C 0.26532(8) 0.62458(8) 0.11324(7) 0.01183(19) Uani 1 1 d . . . . .
C4P C 0.34287(8) 0.53842(8) 0.08436(7) 0.01044(18) Uani 1 1 d . . . . .
C5P C 0.33839(8) 0.47890(8) 0.02544(7) 0.01108(19) Uani 1 1 d . . . . .
H5P H 0.288180 0.500706 -0.003659 0.013 Uiso 1 1 calc R U . . .
C6P C 0.40293(8) 0.38924(8) 0.00636(6) 0.01042(19) Uani 1 1 d . . . . .
C7P C 0.38820(8) 0.32127(8) -0.04632(7) 0.01160(19) Uani 1 1 d . . . . .
C8P C 0.46228(8) 0.23966(8) -0.04642(7) 0.01179(19) Uani 1 1 d . . . . .
C9P C 0.52181(8) 0.25942(8) 0.00562(6) 0.01086(19) Uani 1 1 d . . . . .
C10P C 0.60598(8) 0.19522(8) 0.01940(7) 0.0121(2) Uani 1 1 d . . . . .
H10P H 0.622293 0.131870 -0.002097 0.015 Uiso 1 1 calc R U . . .
C11P C 0.66817(8) 0.21763(8) 0.06273(7) 0.01120(19) Uani 1 1 d . . . . .
C12P C 0.76344(8) 0.15441(8) 0.06808(7) 0.0129(2) Uani 1 1 d . . . . .
C13P C 0.80786(8) 0.20558(8) 0.10696(7) 0.0129(2) Uani 1 1 d . . . . .
C14P C 0.73696(8) 0.29761(8) 0.12841(7) 0.01192(19) Uani 1 1 d . . . . .
C15P C 0.75107(8) 0.36607(8) 0.17527(7) 0.0141(2) Uani 1 1 d . . . . .
H15P H 0.814857 0.356524 0.187365 0.017 Uiso 1 1 calc R U . . .
C16P C 0.67776(8) 0.44762(8) 0.20556(7) 0.0128(2) Uani 1 1 d . . . . .
C17P C 0.68617(9) 0.51137(9) 0.26480(7) 0.0148(2) Uani 1 1 d . . . . .
C18P C 0.59492(9) 0.57614(9) 0.28631(7) 0.0143(2) Uani 1 1 d . . . . .
C19P C 0.53373(8) 0.55384(8) 0.23707(7) 0.0125(2) Uani 1 1 d . . . . .
C20P C 0.43940(8) 0.60968(8) 0.23577(7) 0.0137(2) Uani 1 1 d . . . . .
H20P H 0.409402 0.660483 0.274317 0.016 Uiso 1 1 calc R U . . .
C21P C 0.23614(9) 0.74734(9) 0.22637(8) 0.0183(2) Uani 1 1 d . . . . .
H21A H 0.204282 0.797578 0.193152 0.022 Uiso 1 1 calc R U . . .
H21B H 0.284780 0.772524 0.246789 0.022 Uiso 1 1 calc R U . . .
C22P C 0.15498(11) 0.72759(12) 0.29745(9) 0.0285(3) Uani 1 1 d . . . . .
H22A H 0.103527 0.707627 0.277677 0.043 Uiso 1 1 calc R U . . .
H22B H 0.123808 0.786089 0.330608 0.043 Uiso 1 1 calc R U . . .
H22C H 0.185551 0.676390 0.329678 0.043 Uiso 1 1 calc R U . . .
C23P C 0.17281(8) 0.66103(8) 0.08241(7) 0.0148(2) Uani 1 1 d . . . . .
H23A H 0.191850 0.656134 0.023092 0.018 Uiso 1 1 calc R U . . .
H23B H 0.144374 0.729746 0.097706 0.018 Uiso 1 1 calc R U . . .
C24P C 0.09156(9) 0.60588(9) 0.11461(8) 0.0197(2) Uani 1 1 d . . . . .
H24A H 0.033227 0.632487 0.092228 0.029 Uiso 1 1 calc R U . . .
H24B H 0.070801 0.612013 0.173247 0.029 Uiso 1 1 calc R U . . .
H24C H 0.118766 0.537928 0.098919 0.029 Uiso 1 1 calc R U . . .
C25P C 0.30389(8) 0.33930(9) -0.08783(7) 0.0145(2) Uani 1 1 d . . . . .
H25A H 0.322822 0.293421 -0.133602 0.017 Uiso 1 1 calc R U . . .
H25B H 0.294655 0.404894 -0.109646 0.017 Uiso 1 1 calc R U . . .
C26P C 0.20337(9) 0.32932(10) -0.03277(8) 0.0202(2) Uani 1 1 d . . . . .
H26A H 0.151418 0.342425 -0.063225 0.030 Uiso 1 1 calc R U . . .
H26B H 0.183422 0.375262 0.012273 0.030 Uiso 1 1 calc R U . . .
H26C H 0.211197 0.263899 -0.012279 0.030 Uiso 1 1 calc R U . . .
C27P C 0.47925(8) 0.14667(8) -0.09013(7) 0.0150(2) Uani 1 1 d . . . . .
H27A H 0.549517 0.109506 -0.094503 0.018 Uiso 1 1 calc R U . . .
H27B H 0.470670 0.160637 -0.145201 0.018 Uiso 1 1 calc R U . . .
C28P C 0.40818(12) 0.08564(10) -0.04938(10) 0.0314(4) Uani 1 1 d . . . . .
H28A H 0.422946 0.026111 -0.080604 0.047 Uiso 1 1 calc R U . . .
H28B H 0.338454 0.121286 -0.046024 0.047 Uiso 1 1 calc R U . . .
H28C H 0.417322 0.070174 0.004760 0.047 Uiso 1 1 calc R U . . .
C29P C 0.80454(9) 0.05424(8) 0.03380(8) 0.0173(2) Uani 1 1 d . . . . .
H29A H 0.748393 0.022627 0.040255 0.021 Uiso 1 1 calc R U . . .
H29B H 0.851788 0.017426 0.064575 0.021 Uiso 1 1 calc R U . . .
C30P C 0.85944(11) 0.05094(10) -0.05514(9) 0.0264(3) Uani 1 1 d . . . . .
H30A H 0.813212 0.087448 -0.086018 0.040 Uiso 1 1 calc R U . . .
H30B H 0.882943 -0.015913 -0.074568 0.040 Uiso 1 1 calc R U . . .
H30C H 0.917253 0.079156 -0.061699 0.040 Uiso 1 1 calc R U . . .
C31P C 0.91061(8) 0.17731(9) 0.12262(8) 0.0170(2) Uani 1 1 d . . . . .
H31A H 0.934082 0.106402 0.120604 0.020 Uiso 1 1 calc R U . . .
H31B H 0.906743 0.199471 0.177273 0.020 Uiso 1 1 calc R U . . .
C32P C 0.98726(9) 0.21938(10) 0.06195(9) 0.0237(3) Uani 1 1 d . . . . .
H32A H 0.992060 0.197021 0.007762 0.036 Uiso 1 1 calc R U . . .
H32B H 1.053285 0.198395 0.074420 0.036 Uiso 1 1 calc R U . . .
H32C H 0.965481 0.289644 0.064830 0.036 Uiso 1 1 calc R U . . .
C33P C 0.77814(9) 0.50447(10) 0.29587(8) 0.0192(2) Uani 1 1 d . . . . .
H33A H 0.809902 0.435964 0.302430 0.023 Uiso 1 1 calc R U . . .
H33B H 0.757456 0.536327 0.349388 0.023 Uiso 1 1 calc R U . . .
C34P C 0.85547(11) 0.55033(13) 0.24072(11) 0.0323(3) Uani 1 1 d . . . . .
H34A H 0.878319 0.517455 0.188234 0.048 Uiso 1 1 calc R U . . .
H34B H 0.913115 0.544717 0.264260 0.048 Uiso 1 1 calc R U . . .
H34C H 0.824686 0.618310 0.234224 0.048 Uiso 1 1 calc R U . . .
C35P C 0.56182(9) 0.65540(9) 0.34808(8) 0.0188(2) Uani 1 1 d . . . . .
H35A H 0.598863 0.636389 0.390484 0.023 Uiso 1 1 calc R U . . .
H35B H 0.489258 0.663259 0.373287 0.023 Uiso 1 1 calc R U . . .
C36P C 0.57825(13) 0.75156(10) 0.31549(9) 0.0291(3) Uani 1 1 d . . . . .
H36A H 0.540192 0.772163 0.274597 0.044 Uiso 1 1 calc R U . . .
H36B H 0.650120 0.745096 0.291532 0.044 Uiso 1 1 calc R U . . .
H36C H 0.555052 0.799420 0.359311 0.044 Uiso 1 1 calc R U . . .
C7S C 0.18893(14) 0.14316(13) 0.79807(11) 0.0374(4) Uani 1 1 d . . . . .
H7S H 0.207355 0.192795 0.821161 0.045 Uiso 1 1 calc R U . . .
C8S C 0.08830(14) 0.15193(13) 0.79602(12) 0.0415(4) Uani 1 1 d . . . . .
H8S H 0.037873 0.207826 0.817586 0.050 Uiso 1 1 calc R U . . .
C9S C 0.06332(12) 0.07880(14) 0.76248(11) 0.0359(4) Uani 1 1 d . . . . .
H9S H -0.004753 0.084565 0.761283 0.043 Uiso 1 1 calc R U . . .
C10S C 0.13523(13) -0.00205(12) 0.73084(10) 0.0311(3) Uani 1 1 d . . . . .
H10S H 0.117029 -0.051942 0.707903 0.037 Uiso 1 1 calc R U . . .
C11S C 0.23364(13) -0.01070(12) 0.73240(12) 0.0352(4) Uani 1 1 d . . . . .
H11S H 0.283544 -0.066644 0.710176 0.042 Uiso 1 1 calc R U . . .
C12S C 0.26078(12) 0.06103(13) 0.76592(12) 0.0358(4) Uani 1 1 d . . . . .
H12S H 0.329095 0.054072 0.766950 0.043 Uiso 1 1 calc R U . . .
C1S C 0.68730(11) 0.36895(11) 0.53439(11) 0.0294(3) Uani 1 1 d . . . . .
H1S H 0.690680 0.402338 0.579724 0.035 Uiso 1 1 calc R U . . .
C2S C 0.73716(11) 0.27270(11) 0.52096(11) 0.0293(3) Uani 1 1 d . . . . .
H2S H 0.773448 0.239668 0.557789 0.035 Uiso 1 1 calc R U . . .
C3S C 0.73393(11) 0.22483(12) 0.45369(12) 0.0327(3) Uani 1 1 d . . . . .
H3S H 0.768587 0.159137 0.444325 0.039 Uiso 1 1 calc R U . . .
C4S C 0.68061(13) 0.27217(13) 0.40027(11) 0.0350(4) Uani 1 1 d . . . . .
H4S H 0.679773 0.239554 0.353659 0.042 Uiso 1 1 calc R U . . .
C5S C 0.62798(14) 0.36803(13) 0.41498(12) 0.0365(4) Uani 1 1 d . . . . .
H5S H 0.589077 0.400263 0.379539 0.044 Uiso 1 1 calc R U . . .
C6S C 0.63272(13) 0.41601(11) 0.48153(13) 0.0356(4) Uani 1 1 d . . . . .
H6S H 0.598202 0.481731 0.490918 0.043 Uiso 1 1 calc R U . . .


_geom_special_details            
;
 All esds (except the esd in the dihedral angle between two l.s. planes)
 are estimated using the full covariance matrix.  The cell esds are taken
 into account individually in the estimation of esds in distances, angles
 and torsion angles; correlations between esds in cell parameters are only
 used when they are defined by crystal symmetry.  An approximate (isotropic)
 treatment of cell esds is used for estimating esds involving l.s. planes.
;

loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_site_symmetry_2
_geom_bond_publ_flag
C1 C35 1.3864(19) . ?
C1 C5 1.451(2) . ?
C1 C2 1.4541(19) . ?
C2 C32 1.382(2) . ?
C2 C3 1.451(2) . ?
C3 C58 1.393(2) . ?
C3 C4 1.447(2) . ?
C4 C9 1.394(2) . ?
C4 C5 1.4473(19) . ?
C5 C6 1.3922(19) . ?
C6 C7 1.445(2) . ?
C6 C53 1.4528(19) . ?
C7 C8 1.389(2) . ?
C7 C51 1.4538(19) . ?
C8 C12 1.451(2) . ?
C8 C9 1.452(2) . ?
C9 C10 1.449(2) . ?
C10 C57 1.385(3) . ?
C10 C11 1.456(2) . ?
C11 C16 1.388(3) . ?
C11 C12 1.446(3) . ?
C12 C13 1.394(2) . ?
C13 C14 1.447(2) . ?
C13 C50 1.448(2) . ?
C14 C15 1.392(2) . ?
C14 C48 1.449(2) . ?
C15 C19 1.444(3) . ?
C15 C16 1.451(2) . ?
C16 C17 1.448(3) . ?
C17 C56 1.394(2) . ?
C17 C18 1.454(2) . ?
C18 C23 1.382(3) . ?
C18 C19 1.454(2) . ?
C19 C20 1.390(2) . ?
C20 C21 1.452(3) . ?
C20 C47 1.453(2) . ?
C21 C22 1.391(2) . ?
C21 C55 1.449(2) . ?
C22 C26 1.447(3) . ?
C22 C23 1.459(2) . ?
C23 C24 1.450(2) . ?
C24 C60 1.390(2) . ?
C24 C25 1.455(3) . ?
C25 C30 1.386(2) . ?
C25 C26 1.457(2) . ?
C26 C27 1.390(2) . ?
C27 C28 1.450(2) . ?
C27 C54 1.455(2) . ?
C28 C29 1.391(2) . ?
C28 C39 1.455(2) . ?
C29 C33 1.448(2) . ?
C29 C30 1.454(2) . ?
C30 C31 1.452(2) . ?
C31 C59 1.386(2) . ?
C31 C32 1.453(2) . ?
C32 C33 1.452(2) . ?
C33 C34 1.392(2) . ?
C34 C35 1.439(2) . ?
C34 C38 1.4540(19) . ?
C35 C36 1.4521(19) . ?
C36 C53 1.382(2) . ?
C36 C37 1.452(2) . ?
C37 C42 1.3903(19) . ?
C37 C38 1.444(2) . ?
C38 C39 1.384(2) . ?
C39 C40 1.453(2) . ?
C40 C41 1.388(2) . ?
C40 C54 1.452(2) . ?
C41 C42 1.448(2) . ?
C41 C45 1.452(2) . ?
C42 C43 1.446(2) . ?
C43 C52 1.387(2) . ?
C43 C44 1.4541(19) . ?
C44 C49 1.384(2) . ?
C44 C45 1.447(2) . ?
C45 C46 1.395(2) . ?
C46 C55 1.446(2) . ?
C46 C47 1.453(2) . ?
C47 C48 1.385(2) . ?
C48 C49 1.453(2) . ?
C49 C50 1.452(2) . ?
C50 C51 1.389(2) . ?
C51 C52 1.451(2) . ?
C52 C53 1.4483(18) . ?
C54 C55 1.390(2) . ?
C56 C60 1.445(3) . ?
C56 C57 1.453(2) . ?
C57 C58 1.456(2) . ?
C58 C59 1.442(2) . ?
C59 C60 1.460(2) . ?
Ni1P N3P 1.9464(12) . ?
Ni1P N4P 1.9500(10) . ?
Ni1P N1P 1.9502(12) . ?
Ni1P N2P 1.9542(10) . ?
N1P C4P 1.3769(14) . ?
N1P C1P 1.3798(14) . ?
N2P C6P 1.3743(15) . ?
N2P C9P 1.3808(14) . ?
N3P C11P 1.3787(14) . ?
N3P C14P 1.3803(14) . ?
N4P C19P 1.3795(14) . ?
N4P C16P 1.3810(15) . ?
C1P C20P 1.3781(16) . ?
C1P C2P 1.4480(16) . ?
C2P C3P 1.3645(16) . ?
C2P C21P 1.4970(16) . ?
C3P C4P 1.4468(16) . ?
C3P C23P 1.4969(16) . ?
C4P C5P 1.3773(15) . ?
C5P C6P 1.3807(15) . ?
C6P C7P 1.4455(14) . ?
C7P C8P 1.3644(16) . ?
C7P C25P 1.4982(16) . ?
C8P C9P 1.4491(15) . ?
C8P C27P 1.4997(15) . ?
C9P C10P 1.3773(16) . ?
C10P C11P 1.3837(15) . ?
C11P C12P 1.4465(16) . ?
C12P C13P 1.3641(15) . ?
C12P C29P 1.4995(16) . ?
C13P C14P 1.4465(16) . ?
C13P C31P 1.4951(16) . ?
C14P C15P 1.3797(15) . ?
C15P C16P 1.3795(16) . ?
C16P C17P 1.4444(15) . ?
C17P C18P 1.3657(17) . ?
C17P C33P 1.5022(17) . ?
C18P C19P 1.4452(15) . ?
C18P C35P 1.4971(16) . ?
C19P C20P 1.3795(16) . ?
C21P C22P 1.528(2) . ?
C23P C24P 1.5350(17) . ?
C25P C26P 1.5374(17) . ?
C27P C28P 1.5196(18) . ?
C29P C30P 1.533(2) . ?
C31P C32P 1.5311(19) . ?
C33P C34P 1.525(2) . ?
C35P C36P 1.520(2) . ?
C7S C12S 1.384(2) . ?
C7S C8S 1.405(3) . ?
C8S C9S 1.378(3) . ?
C9S C10S 1.370(3) . ?
C10S C11S 1.372(2) . ?
C11S C12S 1.378(2) . ?
C1S C6S 1.383(3) . ?
C1S C2S 1.389(2) . ?
C2S C3S 1.387(3) . ?
C3S C4S 1.381(3) . ?
C4S C5S 1.395(3) . ?
C5S C6S 1.385(3) . ?

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
C35 C1 C5 120.20(12) . . ?
C35 C1 C2 119.45(13) . . ?
C5 C1 C2 107.96(12) . . ?
C32 C2 C3 119.97(13) . . ?
C32 C2 C1 120.36(12) . . ?
C3 C2 C1 107.70(13) . . ?
C58 C3 C4 120.08(13) . . ?
C58 C3 C2 119.61(14) . . ?
C4 C3 C2 108.20(12) . . ?
C9 C4 C3 120.23(14) . . ?
C9 C4 C5 119.80(13) . . ?
C3 C4 C5 108.07(12) . . ?
C6 C5 C4 120.37(13) . . ?
C6 C5 C1 119.87(12) . . ?
C4 C5 C1 108.06(13) . . ?
C5 C6 C7 119.78(13) . . ?
C5 C6 C53 119.76(13) . . ?
C7 C6 C53 108.19(12) . . ?
C8 C7 C6 120.16(13) . . ?
C8 C7 C51 120.01(14) . . ?
C6 C7 C51 107.90(12) . . ?
C7 C8 C12 119.80(13) . . ?
C7 C8 C9 120.09(13) . . ?
C12 C8 C9 107.90(15) . . ?
C4 C9 C10 119.68(15) . . ?
C4 C9 C8 119.80(13) . . ?
C10 C9 C8 108.21(13) . . ?
C57 C10 C9 120.26(14) . . ?
C57 C10 C11 120.19(15) . . ?
C9 C10 C11 107.63(15) . . ?
C16 C11 C12 120.34(15) . . ?
C16 C11 C10 119.73(17) . . ?
C12 C11 C10 108.25(14) . . ?
C13 C12 C11 119.94(16) . . ?
C13 C12 C8 120.14(15) . . ?
C11 C12 C8 108.01(14) . . ?
C12 C13 C14 119.73(16) . . ?
C12 C13 C50 119.96(14) . . ?
C14 C13 C50 108.28(14) . . ?
C15 C14 C13 120.38(14) . . ?
C15 C14 C48 119.70(16) . . ?
C13 C14 C48 108.03(14) . . ?
C14 C15 C19 120.20(15) . . ?
C14 C15 C16 119.69(16) . . ?
C19 C15 C16 108.12(15) . . ?
C11 C16 C17 120.21(15) . . ?
C11 C16 C15 119.92(16) . . ?
C17 C16 C15 107.89(15) . . ?
C56 C17 C16 120.04(16) . . ?
C56 C17 C18 119.38(17) . . ?
C16 C17 C18 108.19(14) . . ?
C23 C18 C19 120.08(15) . . ?
C23 C18 C17 120.39(15) . . ?
C19 C18 C17 107.52(17) . . ?
C20 C19 C15 120.29(15) . . ?
C20 C19 C18 119.73(17) . . ?
C15 C19 C18 108.27(15) . . ?
C19 C20 C21 120.32(15) . . ?
C19 C20 C47 119.38(16) . . ?
C21 C20 C47 108.10(14) . . ?
C22 C21 C55 120.11(15) . . ?
C22 C21 C20 119.90(15) . . ?
C55 C21 C20 107.97(14) . . ?
C21 C22 C26 119.93(15) . . ?
C21 C22 C23 119.64(17) . . ?
C26 C22 C23 108.49(14) . . ?
C18 C23 C24 120.28(16) . . ?
C18 C23 C22 120.33(15) . . ?
C24 C23 C22 107.45(16) . . ?
C60 C24 C23 119.38(18) . . ?
C60 C24 C25 120.13(14) . . ?
C23 C24 C25 108.41(14) . . ?
C30 C25 C24 120.10(15) . . ?
C30 C25 C26 119.87(15) . . ?
C24 C25 C26 107.79(14) . . ?
C27 C26 C22 120.18(14) . . ?
C27 C26 C25 119.94(15) . . ?
C22 C26 C25 107.86(15) . . ?
C26 C27 C28 120.02(14) . . ?
C26 C27 C54 119.86(15) . . ?
C28 C27 C54 108.04(14) . . ?
C29 C28 C27 120.18(15) . . ?
C29 C28 C39 119.78(15) . . ?
C27 C28 C39 108.02(13) . . ?
C28 C29 C33 119.96(14) . . ?
C28 C29 C30 119.70(15) . . ?
C33 C29 C30 108.23(13) . . ?
C25 C30 C31 119.92(15) . . ?
C25 C30 C29 120.28(14) . . ?
C31 C30 C29 107.73(14) . . ?
C59 C31 C30 120.19(14) . . ?
C59 C31 C32 119.50(15) . . ?
C30 C31 C32 108.09(13) . . ?
C2 C32 C33 120.01(13) . . ?
C2 C32 C31 120.40(14) . . ?
C33 C32 C31 107.92(13) . . ?
C34 C33 C29 120.43(13) . . ?
C34 C33 C32 119.49(14) . . ?
C29 C33 C32 108.03(13) . . ?
C33 C34 C35 120.34(13) . . ?
C33 C34 C38 119.42(14) . . ?
C35 C34 C38 108.14(12) . . ?
C1 C35 C34 120.34(13) . . ?
C1 C35 C36 119.83(13) . . ?
C34 C35 C36 108.07(12) . . ?
C53 C36 C37 119.95(12) . . ?
C53 C36 C35 120.16(12) . . ?
C37 C36 C35 107.85(13) . . ?
C42 C37 C38 120.28(13) . . ?
C42 C37 C36 120.08(13) . . ?
C38 C37 C36 107.97(12) . . ?
C39 C38 C37 119.90(13) . . ?
C39 C38 C34 120.33(14) . . ?
C37 C38 C34 107.96(13) . . ?
C38 C39 C40 120.03(14) . . ?
C38 C39 C28 120.09(13) . . ?
C40 C39 C28 107.95(14) . . ?
C41 C40 C54 119.79(14) . . ?
C41 C40 C39 120.07(14) . . ?
C54 C40 C39 108.03(13) . . ?
C40 C41 C42 119.78(13) . . ?
C40 C41 C45 120.24(13) . . ?
C42 C41 C45 108.11(13) . . ?
C37 C42 C43 119.82(12) . . ?
C37 C42 C41 119.94(13) . . ?
C43 C42 C41 108.09(12) . . ?
C52 C43 C42 119.92(12) . . ?
C52 C43 C44 119.90(13) . . ?
C42 C43 C44 107.87(13) . . ?
C49 C44 C45 120.08(13) . . ?
C49 C44 C43 119.86(13) . . ?
C45 C44 C43 108.11(13) . . ?
C46 C45 C44 120.16(13) . . ?
C46 C45 C41 119.78(14) . . ?
C44 C45 C41 107.82(12) . . ?
C45 C46 C55 119.98(13) . . ?
C45 C46 C47 119.69(14) . . ?
C55 C46 C47 108.33(13) . . ?
C48 C47 C20 120.43(14) . . ?
C48 C47 C46 119.89(13) . . ?
C20 C47 C46 107.59(14) . . ?
C47 C48 C14 120.00(14) . . ?
C47 C48 C49 120.24(14) . . ?
C14 C48 C49 107.88(14) . . ?
C44 C49 C50 120.23(13) . . ?
C44 C49 C48 119.94(15) . . ?
C50 C49 C48 108.01(13) . . ?
C51 C50 C13 119.95(13) . . ?
C51 C50 C49 120.00(14) . . ?
C13 C50 C49 107.79(14) . . ?
C50 C51 C52 119.77(13) . . ?
C50 C51 C7 120.14(14) . . ?
C52 C51 C7 108.00(12) . . ?
C43 C52 C53 120.26(14) . . ?
C43 C52 C51 120.23(13) . . ?
C53 C52 C51 107.98(12) . . ?
C36 C53 C52 119.96(13) . . ?
C36 C53 C6 120.17(12) . . ?
C52 C53 C6 107.94(12) . . ?
C55 C54 C40 120.12(15) . . ?
C55 C54 C27 119.93(14) . . ?
C40 C54 C27 107.96(13) . . ?
C54 C55 C46 120.09(14) . . ?
C54 C55 C21 119.99(14) . . ?
C46 C55 C21 108.01(14) . . ?
C17 C56 C60 119.93(15) . . ?
C17 C56 C57 119.76(17) . . ?
C60 C56 C57 108.26(14) . . ?
C10 C57 C56 120.06(14) . . ?
C10 C57 C58 120.19(14) . . ?
C56 C57 C58 107.61(15) . . ?
C3 C58 C59 120.17(14) . . ?
C3 C58 C57 119.56(15) . . ?
C59 C58 C57 108.31(13) . . ?
C31 C59 C58 120.34(14) . . ?
C31 C59 C60 120.09(15) . . ?
C58 C59 C60 107.94(15) . . ?
C24 C60 C56 120.62(15) . . ?
C24 C60 C59 119.58(16) . . ?
C56 C60 C59 107.88(15) . . ?
N3P Ni1P N4P 89.96(5) . . ?
N3P Ni1P N1P 179.31(4) . . ?
N4P Ni1P N1P 89.91(5) . . ?
N3P Ni1P N2P 89.93(5) . . ?
N4P Ni1P N2P 179.29(4) . . ?
N1P Ni1P N2P 90.19(5) . . ?
C4P N1P C1P 104.35(9) . . ?
C4P N1P Ni1P 127.60(7) . . ?
C1P N1P Ni1P 128.01(8) . . ?
C6P N2P C9P 104.41(9) . . ?
C6P N2P Ni1P 127.64(7) . . ?
C9P N2P Ni1P 127.95(8) . . ?
C11P N3P C14P 104.36(9) . . ?
C11P N3P Ni1P 127.92(8) . . ?
C14P N3P Ni1P 127.71(7) . . ?
C19P N4P C16P 104.33(9) . . ?
C19P N4P Ni1P 127.73(8) . . ?
C16P N4P Ni1P 127.95(8) . . ?
C20P C1P N1P 124.64(10) . . ?
C20P C1P C2P 123.95(10) . . ?
N1P C1P C2P 111.39(10) . . ?
C3P C2P C1P 106.38(10) . . ?
C3P C2P C21P 127.88(11) . . ?
C1P C2P C21P 125.73(10) . . ?
C2P C3P C4P 106.24(10) . . ?
C2P C3P C23P 128.77(10) . . ?
C4P C3P C23P 124.91(10) . . ?
N1P C4P C5P 125.17(10) . . ?
N1P C4P C3P 111.63(9) . . ?
C5P C4P C3P 123.09(11) . . ?
C4P C5P C6P 123.54(11) . . ?
N2P C6P C5P 125.03(10) . . ?
N2P C6P C7P 111.76(9) . . ?
C5P C6P C7P 123.12(10) . . ?
C8P C7P C6P 106.19(10) . . ?
C8P C7P C25P 128.85(10) . . ?
C6P C7P C25P 124.90(10) . . ?
C7P C8P C9P 106.41(9) . . ?
C7P C8P C27P 127.60(10) . . ?
C9P C8P C27P 125.98(11) . . ?
C10P C9P N2P 124.65(10) . . ?
C10P C9P C8P 124.11(10) . . ?
N2P C9P C8P 111.22(10) . . ?
C9P C10P C11P 123.82(10) . . ?
N3P C11P C10P 124.75(10) . . ?
N3P C11P C12P 111.49(10) . . ?
C10P C11P C12P 123.55(10) . . ?
C13P C12P C11P 106.30(10) . . ?
C13P C12P C29P 128.15(10) . . ?
C11P C12P C29P 125.50(10) . . ?
C12P C13P C14P 106.40(10) . . ?
C12P C13P C31P 128.56(10) . . ?
C14P C13P C31P 124.99(10) . . ?
C15P C14P N3P 124.99(10) . . ?
C15P C14P C13P 123.52(11) . . ?
N3P C14P C13P 111.37(10) . . ?
C16P C15P C14P 123.68(11) . . ?
C15P C16P N4P 124.52(10) . . ?
C15P C16P C17P 123.81(11) . . ?
N4P C16P C17P 111.46(10) . . ?
C18P C17P C16P 106.33(10) . . ?
C18P C17P C33P 128.21(10) . . ?
C16P C17P C33P 125.46(11) . . ?
C17P C18P C19P 106.37(10) . . ?
C17P C18P C35P 128.25(11) . . ?
C19P C18P C35P 125.38(11) . . ?
N4P C19P C20P 124.91(10) . . ?
N4P C19P C18P 111.44(10) . . ?
C20P C19P C18P 123.52(10) . . ?
C1P C20P C19P 123.78(10) . . ?
C2P C21P C22P 113.16(11) . . ?
C3P C23P C24P 113.11(10) . . ?
C7P C25P C26P 113.46(10) . . ?
C8P C27P C28P 113.31(10) . . ?
C12P C29P C30P 113.10(11) . . ?
C13P C31P C32P 112.58(11) . . ?
C17P C33P C34P 112.96(12) . . ?
C18P C35P C36P 114.33(11) . . ?
C12S C7S C8S 118.93(16) . . ?
C9S C8S C7S 119.48(16) . . ?
C10S C9S C8S 120.95(16) . . ?
C9S C10S C11S 119.75(15) . . ?
C10S C11S C12S 120.60(16) . . ?
C11S C12S C7S 120.29(16) . . ?
C6S C1S C2S 119.74(17) . . ?
C3S C2S C1S 119.93(16) . . ?
C4S C3S C2S 120.35(15) . . ?
C3S C4S C5S 119.77(17) . . ?
C6S C5S C4S 119.68(18) . . ?
C1S C6S C5S 120.49(16) . . ?

_refine_diff_density_max         0.638
_refine_diff_density_min         -0.562
_refine_diff_density_rms         0.058



####################################################################### 
# 
# 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_c60-220k
_database_code_depnum_ccdc_archive 'CCDC 2027153'
loop_
_audit_author_name
_audit_author_address
'Fupin Liu'
;Leibniz Institute for Solid State and Materials Research, Dresden
Germany
;
_audit_update_record             
;
2020-09-03 deposited with the CCDC.	2020-11-03 downloaded from the CCDC.
;
# start Validation Reply Form
_vrf_PLAT029_c60-220k            
;
PROBLEM: diffrn_measured_fraction_theta_full value low
RESPONSE: This is caused by the limited phi scan with synchrotron radiation 
X-ray diffraction facility
;

_audit_creation_method           SHELXL-2018/3
_shelx_SHELXL_version_number     2018/3
_chemical_name_systematic        ?
_chemical_name_common            ;C60/NiOEP/2C6H6;
_chemical_melting_point          ?
_chemical_formula_moiety         ;C60/NiOEP/2C6H6;
_chemical_formula_sum            'C108 H56 N4 Ni'
_chemical_formula_weight         1468.27

loop_
_atom_type_symbol
_atom_type_description
_atom_type_scat_dispersion_real
_atom_type_scat_dispersion_imag
_atom_type_scat_source
C C 0.0048 0.0021 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
H H 0.0000 0.0000 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
N N 0.0087 0.0042 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Ni Ni 0.3285 1.3900 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'

_space_group_crystal_system      triclinic
_space_group_IT_number           2
_space_group_name_H-M_alt        'P -1'
_space_group_name_Hall           '-P 1'

_shelx_space_group_comment       
;
The symmetry employed for this shelxl refinement is uniquely defined
by the following loop, which should always be used as a source of
symmetry information in preference to the above space-group names.
They are only intended as comments.
;

loop_
_space_group_symop_operation_xyz
'x, y, z'
'-x, -y, -z'

_cell_length_a                   14.130(3)
_cell_length_b                   14.440(3)
_cell_length_c                   17.410(4)
_cell_angle_alpha                87.96(3)
_cell_angle_beta                 75.78(3)
_cell_angle_gamma                75.92(3)
_cell_volume                     3338.9(13)
_cell_formula_units_Z            2
_cell_measurement_temperature    220(2)
_cell_measurement_reflns_used    59919
_cell_measurement_theta_min      2.071
_cell_measurement_theta_max      36.657

_exptl_crystal_description       block
_exptl_crystal_colour            black
_exptl_crystal_density_meas      ?
_exptl_crystal_density_method    ?
_exptl_crystal_density_diffrn    1.460
_exptl_crystal_F_000             1520
_exptl_transmission_factor_min   ?
_exptl_transmission_factor_max   ?
_exptl_crystal_size_max          0.200
_exptl_crystal_size_mid          0.100
_exptl_crystal_size_min          0.080
_exptl_absorpt_coefficient_mu    0.483
_shelx_estimated_absorpt_T_min   0.910
_shelx_estimated_absorpt_T_max   0.962
_exptl_absorpt_correction_type   ?
_exptl_absorpt_correction_T_min  ?
_exptl_absorpt_correction_T_max  ?
_exptl_absorpt_process_details   ?
_exptl_absorpt_special_details   ?
_diffrn_ambient_temperature      220(2)
_diffrn_radiation_wavelength     0.7999
_diffrn_radiation_type           synchrotron
_diffrn_source                   'BESSY BL MX-14.2'
_diffrn_measurement_device_type  PILATUS
_diffrn_measurement_method       'phi scan'
_diffrn_detector_area_resol_mean ?
_diffrn_reflns_number            59919
_diffrn_reflns_av_unetI/netI     0.0338
_diffrn_reflns_av_R_equivalents  0.0363
_diffrn_reflns_limit_h_min       -20
_diffrn_reflns_limit_h_max       20
_diffrn_reflns_limit_k_min       -21
_diffrn_reflns_limit_k_max       21
_diffrn_reflns_limit_l_min       -24
_diffrn_reflns_limit_l_max       24
_diffrn_reflns_theta_min         2.071
_diffrn_reflns_theta_max         36.657
_diffrn_reflns_theta_full        28.681
_diffrn_measured_fraction_theta_max 0.781
_diffrn_measured_fraction_theta_full 0.911
_diffrn_reflns_Laue_measured_fraction_max 0.781
_diffrn_reflns_Laue_measured_fraction_full 0.911
_diffrn_reflns_point_group_measured_fraction_max 0.781
_diffrn_reflns_point_group_measured_fraction_full 0.911
_reflns_number_total             18160
_reflns_number_gt                18041
_reflns_threshold_expression     'I > 2σ(I)'
_reflns_Friedel_coverage         0.000
_reflns_Friedel_fraction_max     .
_reflns_Friedel_fraction_full    .

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

_computing_data_collection       XDS
_computing_cell_refinement       XDS
_computing_data_reduction        XDS
_computing_structure_solution    'SHELXT 2018/2 (Sheldrick, 2018)'
_computing_structure_refinement  'SHELXL-2018/3 (Sheldrick, 2018)'
_computing_molecular_graphics    ?
_computing_publication_material  ?
_refine_special_details          ?
_refine_ls_structure_factor_coef Fsqd
_refine_ls_matrix_type           full
_refine_ls_weighting_scheme      calc
_refine_ls_weighting_details     
'w=1/[σ²(Fo²)+(0.0981P)²+1.9707P] where P=(Fo²+2Fc²)/3'
_atom_sites_solution_primary     ?
_atom_sites_solution_secondary   ?
_atom_sites_solution_hydrogens   geom
_refine_ls_hydrogen_treatment    constr
_refine_ls_extinction_method     'SHELXL-2018/3 (Sheldrick 2018)'
_refine_ls_extinction_coef       0.049(2)
_refine_ls_extinction_expression Fc^*^=kFc[1+0.001xFc²λ³/sin(2θ)]^-1/4^
_refine_ls_number_reflns         18160
_refine_ls_number_parameters     1027
_refine_ls_number_restraints     0
_refine_ls_R_factor_all          0.0592
_refine_ls_R_factor_gt           0.0589
_refine_ls_wR_factor_ref         0.1679
_refine_ls_wR_factor_gt          0.1675
_refine_ls_goodness_of_fit_ref   1.049
_refine_ls_restrained_S_all      1.049
_refine_ls_shift/su_max          0.002
_refine_ls_shift/su_mean         0.000

loop_
_atom_site_label
_atom_site_type_symbol
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_U_iso_or_equiv
_atom_site_adp_type
_atom_site_occupancy
_atom_site_site_symmetry_order
_atom_site_calc_flag
_atom_site_refinement_flags_posn
_atom_site_refinement_flags_adp
_atom_site_refinement_flags_occupancy
_atom_site_disorder_assembly
_atom_site_disorder_group
C1 C 0.4230(3) 0.3013(3) 0.2389(2) 0.0749(10) Uani 1 1 d . . . . .
C2 C 0.4393(3) 0.3128(3) 0.3194(2) 0.0750(10) Uani 1 1 d . . . . .
C3 C 0.3580(3) 0.3889(3) 0.3602(2) 0.0810(11) Uani 1 1 d . . . . .
C4 C 0.2931(3) 0.4242(2) 0.3087(3) 0.0790(11) Uani 1 1 d . . . . .
C5 C 0.3317(3) 0.3711(2) 0.2344(2) 0.0690(9) Uani 1 1 d . . . . .
C6 C 0.2687(3) 0.3470(3) 0.1943(2) 0.0816(11) Uani 1 1 d . . . . .
C7 C 0.1637(3) 0.3746(3) 0.2239(3) 0.0857(11) Uani 1 1 d . . . . .
C8 C 0.1236(3) 0.4263(2) 0.2956(3) 0.0843(12) Uani 1 1 d . . . . .
C9 C 0.1889(3) 0.45173(18) 0.3403(3) 0.0865(13) Uani 1 1 d . . . . .
C10 C 0.1461(4) 0.4448(2) 0.4218(3) 0.0955(14) Uani 1 1 d . . . . .
C11 C 0.0529(3) 0.4134(3) 0.4321(3) 0.1069(17) Uani 1 1 d . . . . .
C12 C 0.0383(3) 0.4010(3) 0.3531(3) 0.0954(14) Uani 1 1 d . . . . .
C13 C 0.0000(2) 0.3289(3) 0.3368(3) 0.0922(13) Uani 1 1 d . . . . .
C14 C -0.0281(2) 0.2641(4) 0.3976(3) 0.0930(13) Uani 1 1 d . . . . .
C15 C -0.0151(2) 0.2742(4) 0.4732(3) 0.0903(13) Uani 1 1 d . . . . .
C16 C 0.0261(3) 0.3531(4) 0.4893(3) 0.1081(17) Uani 1 1 d . . . . .
C17 C 0.0914(4) 0.3196(4) 0.5427(2) 0.0976(15) Uani 1 1 d . . . . .
C18 C 0.0906(4) 0.2191(5) 0.55949(18) 0.0982(16) Uani 1 1 d . . . . .
C19 C 0.0252(3) 0.1918(4) 0.5165(3) 0.1073(18) Uani 1 1 d . . . . .
C20 C 0.0482(3) 0.1047(3) 0.4849(3) 0.0959(15) Uani 1 1 d . . . . .
C21 C 0.1407(4) 0.0335(3) 0.4897(2) 0.0815(11) Uani 1 1 d . . . . .
C22 C 0.2045(5) 0.0564(4) 0.5286(2) 0.1037(16) Uani 1 1 d . . . . .
C23 C 0.1785(5) 0.1552(4) 0.56657(16) 0.0967(15) Uani 1 1 d . . . . .
C24 C 0.2670(4) 0.1860(5) 0.55760(19) 0.1060(18) Uani 1 1 d . . . . .
C25 C 0.3544(4) 0.1058(4) 0.5148(3) 0.0927(13) Uani 1 1 d . . . . .
C26 C 0.3111(4) 0.0277(4) 0.4980(3) 0.1043(16) Uani 1 1 d . . . . .
C27 C 0.3486(4) -0.0227(2) 0.4270(3) 0.0831(11) Uani 1 1 d . . . . .
C28 C 0.4347(3) 0.0023(3) 0.3686(3) 0.0904(13) Uani 1 1 d . . . . .
C29 C 0.4735(2) 0.0749(3) 0.3864(3) 0.0918(14) Uani 1 1 d . . . . .
C30 C 0.4301(3) 0.1301(4) 0.4608(3) 0.1006(15) Uani 1 1 d . . . . .
C31 C 0.4320(3) 0.2303(4) 0.4448(3) 0.0938(14) Uani 1 1 d . . . . .
C32 C 0.4755(2) 0.2352(3) 0.3607(3) 0.0847(12) Uani 1 1 d . . . . .
C33 C 0.5000(2) 0.1408(4) 0.3245(3) 0.0908(13) Uani 1 1 d . . . . .
C34 C 0.48695(19) 0.1321(3) 0.2497(2) 0.0754(10) Uani 1 1 d . . . . .
C35 C 0.4465(2) 0.2147(3) 0.20709(19) 0.0756(10) Uani 1 1 d . . . . .
C36 C 0.3813(3) 0.1870(3) 0.16521(15) 0.0700(9) Uani 1 1 d . . . . .
C37 C 0.3802(3) 0.0867(3) 0.18163(17) 0.0739(10) Uani 1 1 d . . . . .
C38 C 0.4444(3) 0.0536(3) 0.2326(2) 0.0848(12) Uani 1 1 d . . . . .
C39 C 0.4193(3) -0.0080(2) 0.2895(3) 0.0911(13) Uani 1 1 d . . . . .
C40 C 0.3252(3) -0.03929(18) 0.2997(3) 0.0800(11) Uani 1 1 d . . . . .
C41 C 0.2621(3) -0.0049(2) 0.2505(2) 0.0790(11) Uani 1 1 d . . . . .
C42 C 0.2906(3) 0.0593(2) 0.18945(17) 0.0700(9) Uani 1 1 d . . . . .
C43 C 0.2023(3) 0.1285(3) 0.18213(17) 0.0710(9) Uani 1 1 d . . . . .
C44 C 0.1153(3) 0.1064(3) 0.2406(2) 0.0800(11) Uani 1 1 d . . . . .
C45 C 0.1551(3) 0.0228(2) 0.2824(2) 0.0750(10) Uani 1 1 d . . . . .
C46 C 0.1145(3) 0.0160(3) 0.3637(2) 0.0806(11) Uani 1 1 d . . . . .
C47 C 0.0327(3) 0.0927(3) 0.4046(2) 0.0802(11) Uani 1 1 d . . . . .
C48 C -0.0029(2) 0.1701(4) 0.3626(3) 0.0877(12) Uani 1 1 d . . . . .
C49 C 0.0410(3) 0.1746(4) 0.2794(3) 0.0856(12) Uani 1 1 d . . . . .
C50 C 0.0425(3) 0.2753(4) 0.2620(3) 0.0876(12) Uani 1 1 d . . . . .
C51 C 0.1205(3) 0.2980(3) 0.2086(2) 0.0798(10) Uani 1 1 d . . . . .
C52 C 0.2052(3) 0.2190(3) 0.16688(17) 0.0776(10) Uani 1 1 d . . . . .
C53 C 0.2956(3) 0.2492(3) 0.15816(15) 0.0687(9) Uani 1 1 d . . . . .
C54 C 0.2829(3) -0.04722(18) 0.3823(3) 0.0797(11) Uani 1 1 d . . . . .
C55 C 0.1795(4) -0.0197(2) 0.4146(2) 0.0798(11) Uani 1 1 d . . . . .
C56 C 0.1808(4) 0.3466(3) 0.5344(2) 0.0988(15) Uani 1 1 d . . . . .
C57 C 0.2092(4) 0.4110(3) 0.4733(3) 0.1015(16) Uani 1 1 d . . . . .
C58 C 0.3171(4) 0.3821(3) 0.4416(2) 0.0876(13) Uani 1 1 d . . . . .
C59 C 0.3574(4) 0.2989(4) 0.4827(2) 0.0978(15) Uani 1 1 d . . . . .
C60 C 0.2704(4) 0.2756(4) 0.5427(2) 0.0937(14) Uani 1 1 d . . . . .
Ni1P Ni 0.53641(2) 0.41348(2) 0.11220(2) 0.01925(8) Uani 1 1 d . . . . .
N1P N 0.41840(9) 0.52062(9) 0.12701(8) 0.0214(2) Uani 1 1 d . . . . .
N2P N 0.48533(9) 0.35181(9) 0.03841(8) 0.0212(2) Uani 1 1 d . . . . .
N3P N 0.65319(9) 0.30566(9) 0.09891(8) 0.0228(2) Uani 1 1 d . . . . .
N4P N 0.58718(10) 0.47433(10) 0.18651(8) 0.0241(3) Uani 1 1 d . . . . .
C1P C 0.38858(11) 0.59467(11) 0.18232(10) 0.0243(3) Uani 1 1 d . . . . .
C2P C 0.29457(11) 0.65840(11) 0.17604(11) 0.0273(3) Uani 1 1 d . . . . .
C3P C 0.26745(11) 0.62337(11) 0.11532(10) 0.0249(3) Uani 1 1 d . . . . .
C4P C 0.34450(10) 0.53767(10) 0.08610(9) 0.0219(3) Uani 1 1 d . . . . .
C5P C 0.33952(11) 0.47857(11) 0.02755(9) 0.0238(3) Uani 1 1 d . . . . .
H5P H 0.289713 0.500145 -0.000562 0.029 Uiso 1 1 calc R U . . .
C6P C 0.40347(11) 0.38961(11) 0.00792(9) 0.0220(3) Uani 1 1 d . . . . .
C7P C 0.38799(11) 0.32189(12) -0.04398(9) 0.0249(3) Uani 1 1 d . . . . .
C8P C 0.46151(11) 0.24067(12) -0.04466(9) 0.0257(3) Uani 1 1 d . . . . .
C9P C 0.52173(11) 0.26036(11) 0.00636(9) 0.0234(3) Uani 1 1 d . . . . .
C10P C 0.60595(11) 0.19663(11) 0.01926(10) 0.0265(3) Uani 1 1 d . . . . .
H10P H 0.621490 0.134165 -0.001767 0.032 Uiso 1 1 calc R U . . .
C11P C 0.66884(11) 0.21900(11) 0.06120(10) 0.0244(3) Uani 1 1 d . . . . .
C12P C 0.76423(12) 0.15652(11) 0.06528(11) 0.0282(3) Uani 1 1 d . . . . .
C13P C 0.80889(12) 0.20705(12) 0.10385(11) 0.0284(3) Uani 1 1 d . . . . .
C14P C 0.73866(11) 0.29849(11) 0.12586(10) 0.0255(3) Uani 1 1 d . . . . .
C15P C 0.75340(12) 0.36671(12) 0.17206(11) 0.0287(3) Uani 1 1 d . . . . .
H15P H 0.816640 0.357272 0.183535 0.034 Uiso 1 1 calc R U . . .
C16P C 0.68073(12) 0.44809(12) 0.20246(10) 0.0268(3) Uani 1 1 d . . . . .
C17P C 0.69000(13) 0.51187(13) 0.26096(11) 0.0304(3) Uani 1 1 d . . . . .
C18P C 0.59948(13) 0.57615(13) 0.28270(10) 0.0297(3) Uani 1 1 d . . . . .
C19P C 0.53718(12) 0.55351(12) 0.23494(10) 0.0264(3) Uani 1 1 d . . . . .
C20P C 0.44285(12) 0.60840(12) 0.23489(10) 0.0285(3) Uani 1 1 d . . . . .
H20P H 0.413687 0.658252 0.273001 0.034 Uiso 1 1 calc R U . . .
C21P C 0.23959(14) 0.74500(13) 0.22794(13) 0.0375(4) Uani 1 1 d . . . . .
H21A H 0.205833 0.793751 0.196487 0.045 Uiso 1 1 calc R U . . .
H21B H 0.288591 0.771009 0.245958 0.045 Uiso 1 1 calc R U . . .
C22P C 0.1621(2) 0.7252(2) 0.29968(15) 0.0576(6) Uani 1 1 d . . . . .
H22A H 0.109344 0.705942 0.282459 0.086 Uiso 1 1 calc R U . . .
H22B H 0.133328 0.782583 0.332910 0.086 Uiso 1 1 calc R U . . .
H22C H 0.194167 0.674460 0.329618 0.086 Uiso 1 1 calc R U . . .
C23P C 0.17488(12) 0.65961(12) 0.08539(12) 0.0307(3) Uani 1 1 d . . . . .
H23A H 0.193302 0.654210 0.027377 0.037 Uiso 1 1 calc R U . . .
H23B H 0.147405 0.727419 0.100294 0.037 Uiso 1 1 calc R U . . .
C24P C 0.09350(14) 0.60546(16) 0.11777(15) 0.0419(4) Uani 1 1 d . . . . .
H24A H 0.036018 0.630990 0.095692 0.063 Uiso 1 1 calc R U . . .
H24B H 0.072781 0.612779 0.175068 0.063 Uiso 1 1 calc R U . . .
H24C H 0.120075 0.538270 0.103095 0.063 Uiso 1 1 calc R U . . .
C25P C 0.30342(13) 0.33960(14) -0.08442(10) 0.0311(3) Uani 1 1 d . . . . .
H25A H 0.321810 0.294451 -0.129420 0.037 Uiso 1 1 calc R U . . .
H25B H 0.294240 0.404202 -0.105392 0.037 Uiso 1 1 calc R U . . .
C26P C 0.20360(15) 0.32949(18) -0.03002(14) 0.0429(5) Uani 1 1 d . . . . .
H26A H 0.151803 0.343105 -0.059316 0.064 Uiso 1 1 calc R U . . .
H26B H 0.184626 0.374128 0.014638 0.064 Uiso 1 1 calc R U . . .
H26C H 0.211114 0.264835 -0.010888 0.064 Uiso 1 1 calc R U . . .
C27P C 0.47798(14) 0.14803(13) -0.08804(11) 0.0328(4) Uani 1 1 d . . . . .
H27A H 0.547756 0.112038 -0.093285 0.039 Uiso 1 1 calc R U . . .
H27B H 0.468484 0.161713 -0.141551 0.039 Uiso 1 1 calc R U . . .
C28P C 0.4087(2) 0.08661(17) -0.04800(18) 0.0594(7) Uani 1 1 d . . . . .
H28A H 0.423588 0.027976 -0.078910 0.089 Uiso 1 1 calc R U . . .
H28B H 0.339426 0.120847 -0.043997 0.089 Uiso 1 1 calc R U . . .
H28C H 0.418527 0.071508 0.004656 0.089 Uiso 1 1 calc R U . . .
C29P C 0.80498(14) 0.05702(12) 0.03002(14) 0.0377(4) Uani 1 1 d . . . . .
H29A H 0.749475 0.025465 0.037103 0.045 Uiso 1 1 calc R U . . .
H29B H 0.852853 0.020819 0.058921 0.045 Uiso 1 1 calc R U . . .
C30P C 0.8573(2) 0.05426(18) -0.05779(17) 0.0549(6) Uani 1 1 d . . . . .
H30A H 0.811164 0.091730 -0.086655 0.082 Uiso 1 1 calc R U . . .
H30B H 0.878431 -0.011301 -0.077731 0.082 Uiso 1 1 calc R U . . .
H30C H 0.915778 0.080602 -0.064915 0.082 Uiso 1 1 calc R U . . .
C31P C 0.91181(13) 0.17834(14) 0.11889(13) 0.0358(4) Uani 1 1 d . . . . .
H31A H 0.933880 0.108487 0.117566 0.043 Uiso 1 1 calc R U . . .
H31B H 0.908726 0.201176 0.172000 0.043 Uiso 1 1 calc R U . . .
C32P C 0.98881(16) 0.2181(2) 0.05820(17) 0.0522(6) Uani 1 1 d . . . . .
H32A H 0.995674 0.192178 0.005938 0.078 Uiso 1 1 calc R U . . .
H32B H 1.053289 0.200333 0.071859 0.078 Uiso 1 1 calc R U . . .
H32C H 0.966430 0.287187 0.058198 0.078 Uiso 1 1 calc R U . . .
C33P C 0.78224(15) 0.50472(16) 0.29130(13) 0.0395(4) Uani 1 1 d . . . . .
H33A H 0.814756 0.437155 0.295252 0.047 Uiso 1 1 calc R U . . .
H33B H 0.761882 0.533719 0.344713 0.047 Uiso 1 1 calc R U . . .
C34P C 0.8573(2) 0.5530(3) 0.2393(2) 0.0728(9) Uani 1 1 d . . . . .
H34A H 0.877594 0.524864 0.186260 0.109 Uiso 1 1 calc R U . . .
H34B H 0.915810 0.544487 0.260962 0.109 Uiso 1 1 calc R U . . .
H34C H 0.826748 0.620594 0.237369 0.109 Uiso 1 1 calc R U . . .
C35P C 0.56744(16) 0.65550(16) 0.34395(12) 0.0394(4) Uani 1 1 d . . . . .
H35A H 0.607704 0.638799 0.383168 0.047 Uiso 1 1 calc R U . . .
H35B H 0.496915 0.660683 0.371540 0.047 Uiso 1 1 calc R U . . .
C36P C 0.5780(3) 0.75177(17) 0.31096(17) 0.0585(7) Uani 1 1 d . . . . .
H36A H 0.537051 0.769894 0.273071 0.088 Uiso 1 1 calc R U . . .
H36B H 0.647953 0.748028 0.284807 0.088 Uiso 1 1 calc R U . . .
H36C H 0.555924 0.799139 0.353858 0.088 Uiso 1 1 calc R U . . .
C7S C 0.1850(4) 0.1424(3) 0.7997(3) 0.0869(12) Uani 1 1 d . . . . .
H7S H 0.201203 0.191940 0.823509 0.104 Uiso 1 1 calc R U . . .
C8S C 0.0868(3) 0.1502(3) 0.7917(3) 0.0891(12) Uani 1 1 d . . . . .
H8S H 0.035691 0.205409 0.809997 0.107 Uiso 1 1 calc R U . . .
C9S C 0.0669(2) 0.0762(3) 0.7570(2) 0.0758(9) Uani 1 1 d . . . . .
H9S H 0.001337 0.081255 0.751433 0.091 Uiso 1 1 calc R U . . .
C10S C 0.1377(3) -0.0029(3) 0.73079(19) 0.0662(8) Uani 1 1 d . . . . .
H10S H 0.122099 -0.053141 0.707491 0.079 Uiso 1 1 calc R U . . .
C11S C 0.2321(3) -0.0102(3) 0.7379(3) 0.0779(10) Uani 1 1 d . . . . .
H11S H 0.282315 -0.065833 0.718862 0.093 Uiso 1 1 calc R U . . .
C12S C 0.2560(3) 0.0607(3) 0.7719(3) 0.0823(11) Uani 1 1 d . . . . .
H12S H 0.322229 0.053631 0.776534 0.099 Uiso 1 1 calc R U . . .
C1S C 0.6836(2) 0.3648(2) 0.5310(2) 0.0654(7) Uani 1 1 d . . . . .
H1S H 0.684851 0.395454 0.577368 0.079 Uiso 1 1 calc R U . . .
C2S C 0.7322(2) 0.2703(2) 0.5149(2) 0.0641(7) Uani 1 1 d . . . . .
H2S H 0.766409 0.235970 0.550954 0.077 Uiso 1 1 calc R U . . .
C3S C 0.7317(2) 0.2260(2) 0.4479(2) 0.0695(9) Uani 1 1 d . . . . .
H3S H 0.765309 0.161269 0.438345 0.083 Uiso 1 1 calc R U . . .
C4S C 0.6832(3) 0.2736(3) 0.3938(2) 0.0733(9) Uani 1 1 d . . . . .
H4S H 0.684931 0.242973 0.346577 0.088 Uiso 1 1 calc R U . . .
C5S C 0.6311(3) 0.3690(3) 0.4104(3) 0.0837(12) Uani 1 1 d . . . . .
H5S H 0.594758 0.402450 0.375281 0.100 Uiso 1 1 calc R U . . .
C6S C 0.6328(3) 0.4139(2) 0.4780(3) 0.0843(12) Uani 1 1 d . . . . .
H6S H 0.599152 0.478552 0.488195 0.101 Uiso 1 1 calc R U . . .


_geom_special_details            
;
 All esds (except the esd in the dihedral angle between two l.s. planes)
 are estimated using the full covariance matrix.  The cell esds are taken
 into account individually in the estimation of esds in distances, angles
 and torsion angles; correlations between esds in cell parameters are only
 used when they are defined by crystal symmetry.  An approximate (isotropic)
 treatment of cell esds is used for estimating esds involving l.s. planes.
;

loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_site_symmetry_2
_geom_bond_publ_flag
C1 C35 1.319(5) . ?
C1 C5 1.449(6) . ?
C1 C2 1.495(5) . ?
C2 C32 1.371(6) . ?
C2 C3 1.440(6) . ?
C3 C58 1.402(5) . ?
C3 C4 1.432(6) . ?
C4 C9 1.400(6) . ?
C4 C5 1.442(5) . ?
C5 C6 1.369(6) . ?
C6 C7 1.407(6) . ?
C6 C53 1.490(6) . ?
C7 C8 1.396(6) . ?
C7 C51 1.448(6) . ?
C8 C9 1.461(7) . ?
C8 C12 1.479(7) . ?
C9 C10 1.409(6) . ?
C10 C57 1.409(7) . ?
C10 C11 1.463(7) . ?
C11 C16 1.344(7) . ?
C11 C12 1.463(7) . ?
C12 C13 1.351(6) . ?
C13 C14 1.435(7) . ?
C13 C50 1.454(7) . ?
C14 C15 1.390(7) . ?
C14 C48 1.435(6) . ?
C15 C19 1.459(7) . ?
C15 C16 1.463(7) . ?
C16 C17 1.456(7) . ?
C17 C56 1.384(6) . ?
C17 C18 1.473(7) . ?
C18 C23 1.385(7) . ?
C18 C19 1.451(7) . ?
C19 C20 1.324(6) . ?
C20 C21 1.471(7) . ?
C20 C47 1.490(6) . ?
C21 C22 1.358(7) . ?
C21 C55 1.453(6) . ?
C22 C26 1.428(8) . ?
C22 C23 1.517(7) . ?
C23 C24 1.397(7) . ?
C24 C60 1.321(7) . ?
C24 C25 1.527(8) . ?
C25 C30 1.348(7) . ?
C25 C26 1.476(7) . ?
C26 C27 1.376(7) . ?
C27 C54 1.458(6) . ?
C27 C28 1.490(7) . ?
C28 C29 1.372(6) . ?
C28 C39 1.464(7) . ?
C29 C33 1.453(7) . ?
C29 C30 1.461(7) . ?
C30 C31 1.469(8) . ?
C31 C59 1.313(7) . ?
C31 C32 1.448(6) . ?
C32 C33 1.450(6) . ?
C33 C34 1.374(6) . ?
C34 C35 1.453(6) . ?
C34 C38 1.476(6) . ?
C35 C36 1.439(5) . ?
C36 C53 1.351(5) . ?
C36 C37 1.469(5) . ?
C37 C42 1.391(5) . ?
C37 C38 1.412(6) . ?
C38 C39 1.348(6) . ?
C39 C40 1.475(6) . ?
C40 C41 1.380(6) . ?
C40 C54 1.428(6) . ?
C41 C42 1.432(5) . ?
C41 C45 1.437(6) . ?
C42 C43 1.427(5) . ?
C43 C52 1.332(6) . ?
C43 C44 1.483(5) . ?
C44 C49 1.312(6) . ?
C44 C45 1.453(6) . ?
C45 C46 1.400(5) . ?
C46 C55 1.426(6) . ?
C46 C47 1.449(6) . ?
C47 C48 1.373(6) . ?
C48 C49 1.435(6) . ?
C49 C50 1.480(7) . ?
C50 C51 1.356(6) . ?
C51 C52 1.493(6) . ?
C52 C53 1.420(5) . ?
C54 C55 1.393(6) . ?
C56 C57 1.435(7) . ?
C56 C60 1.457(7) . ?
C57 C58 1.448(7) . ?
C58 C59 1.444(7) . ?
C59 C60 1.504(7) . ?
Ni1P N3P 1.9464(15) . ?
Ni1P N1P 1.9500(15) . ?
Ni1P N4P 1.9503(14) . ?
Ni1P N2P 1.9530(13) . ?
N1P C4P 1.373(2) . ?
N1P C1P 1.3795(18) . ?
N2P C6P 1.375(2) . ?
N2P C9P 1.3787(19) . ?
N3P C11P 1.3778(19) . ?
N3P C14P 1.380(2) . ?
N4P C16P 1.377(2) . ?
N4P C19P 1.378(2) . ?
C1P C20P 1.377(2) . ?
C1P C2P 1.447(2) . ?
C2P C3P 1.361(2) . ?
C2P C21P 1.499(2) . ?
C3P C4P 1.447(2) . ?
C3P C23P 1.496(2) . ?
C4P C5P 1.378(2) . ?
C5P C6P 1.378(2) . ?
C6P C7P 1.444(2) . ?
C7P C8P 1.363(2) . ?
C7P C25P 1.497(2) . ?
C8P C9P 1.449(2) . ?
C8P C27P 1.499(2) . ?
C9P C10P 1.377(2) . ?
C10P C11P 1.379(2) . ?
C11P C12P 1.445(2) . ?
C12P C13P 1.360(2) . ?
C12P C29P 1.503(2) . ?
C13P C14P 1.445(2) . ?
C13P C31P 1.497(2) . ?
C14P C15P 1.378(2) . ?
C15P C16P 1.381(2) . ?
C16P C17P 1.447(2) . ?
C17P C18P 1.360(3) . ?
C17P C33P 1.502(2) . ?
C18P C19P 1.446(2) . ?
C18P C35P 1.501(2) . ?
C19P C20P 1.375(2) . ?
C21P C22P 1.515(3) . ?
C23P C24P 1.530(3) . ?
C25P C26P 1.530(3) . ?
C27P C28P 1.508(3) . ?
C29P C30P 1.523(4) . ?
C31P C32P 1.525(3) . ?
C33P C34P 1.507(4) . ?
C35P C36P 1.512(4) . ?
C7S C12S 1.363(6) . ?
C7S C8S 1.405(6) . ?
C8S C9S 1.364(6) . ?
C9S C10S 1.331(5) . ?
C10S C11S 1.348(5) . ?
C11S C12S 1.349(5) . ?
C1S C2S 1.375(5) . ?
C1S C6S 1.379(5) . ?
C2S C3S 1.352(5) . ?
C3S C4S 1.368(5) . ?
C4S C5S 1.398(6) . ?
C5S C6S 1.371(6) . ?

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
C35 C1 C5 122.2(4) . . ?
C35 C1 C2 118.6(4) . . ?
C5 C1 C2 107.0(3) . . ?
C32 C2 C3 119.4(4) . . ?
C32 C2 C1 121.3(4) . . ?
C3 C2 C1 107.1(4) . . ?
C58 C3 C4 120.0(4) . . ?
C58 C3 C2 119.3(4) . . ?
C4 C3 C2 108.6(3) . . ?
C9 C4 C3 119.4(4) . . ?
C9 C4 C5 119.2(4) . . ?
C3 C4 C5 109.2(4) . . ?
C6 C5 C4 121.4(4) . . ?
C6 C5 C1 118.9(3) . . ?
C4 C5 C1 108.0(3) . . ?
C5 C6 C7 120.8(4) . . ?
C5 C6 C53 118.8(4) . . ?
C7 C6 C53 108.4(4) . . ?
C8 C7 C6 119.3(4) . . ?
C8 C7 C51 118.9(4) . . ?
C6 C7 C51 109.0(4) . . ?
C7 C8 C9 121.0(4) . . ?
C7 C8 C12 118.8(4) . . ?
C9 C8 C12 107.7(4) . . ?
C4 C9 C10 121.6(5) . . ?
C4 C9 C8 118.1(4) . . ?
C10 C9 C8 108.6(4) . . ?
C57 C10 C9 119.6(4) . . ?
C57 C10 C11 119.0(5) . . ?
C9 C10 C11 109.4(5) . . ?
C16 C11 C10 121.7(6) . . ?
C16 C11 C12 119.2(5) . . ?
C10 C11 C12 107.5(4) . . ?
C13 C12 C11 120.9(5) . . ?
C13 C12 C8 120.6(5) . . ?
C11 C12 C8 106.8(4) . . ?
C12 C13 C14 120.0(5) . . ?
C12 C13 C50 120.2(5) . . ?
C14 C13 C50 108.3(4) . . ?
C15 C14 C48 118.9(5) . . ?
C15 C14 C13 120.3(5) . . ?
C48 C14 C13 108.5(4) . . ?
C14 C15 C19 121.4(4) . . ?
C14 C15 C16 118.5(5) . . ?
C19 C15 C16 107.9(4) . . ?
C11 C16 C17 118.7(5) . . ?
C11 C16 C15 121.0(5) . . ?
C17 C16 C15 108.1(5) . . ?
C56 C17 C16 121.5(5) . . ?
C56 C17 C18 118.3(5) . . ?
C16 C17 C18 107.7(4) . . ?
C23 C18 C19 120.5(5) . . ?
C23 C18 C17 119.3(4) . . ?
C19 C18 C17 108.0(5) . . ?
C20 C19 C18 120.2(6) . . ?
C20 C19 C15 120.2(5) . . ?
C18 C19 C15 108.3(5) . . ?
C19 C20 C21 122.2(5) . . ?
C19 C20 C47 118.9(5) . . ?
C21 C20 C47 106.6(4) . . ?
C22 C21 C55 120.5(5) . . ?
C22 C21 C20 119.5(5) . . ?
C55 C21 C20 107.8(4) . . ?
C21 C22 C26 121.3(5) . . ?
C21 C22 C23 119.0(5) . . ?
C26 C22 C23 108.3(5) . . ?
C18 C23 C24 120.2(5) . . ?
C18 C23 C22 118.5(4) . . ?
C24 C23 C22 108.9(5) . . ?
C60 C24 C23 122.1(6) . . ?
C60 C24 C25 119.1(5) . . ?
C23 C24 C25 107.6(5) . . ?
C30 C25 C26 120.9(5) . . ?
C30 C25 C24 118.1(5) . . ?
C26 C25 C24 107.2(5) . . ?
C27 C26 C22 118.7(5) . . ?
C27 C26 C25 120.4(5) . . ?
C22 C26 C25 108.0(5) . . ?
C26 C27 C54 122.0(5) . . ?
C26 C27 C28 118.5(4) . . ?
C54 C27 C28 107.4(4) . . ?
C29 C28 C39 120.9(5) . . ?
C29 C28 C27 119.6(4) . . ?
C39 C28 C27 107.3(4) . . ?
C28 C29 C33 118.3(4) . . ?
C28 C29 C30 121.1(5) . . ?
C33 C29 C30 107.6(5) . . ?
C25 C30 C29 119.5(5) . . ?
C25 C30 C31 121.9(5) . . ?
C29 C30 C31 108.3(5) . . ?
C59 C31 C32 121.1(5) . . ?
C59 C31 C30 119.7(5) . . ?
C32 C31 C30 106.9(5) . . ?
C2 C32 C31 120.0(4) . . ?
C2 C32 C33 118.8(4) . . ?
C31 C32 C33 109.2(4) . . ?
C34 C33 C32 119.0(4) . . ?
C34 C33 C29 121.8(4) . . ?
C32 C33 C29 108.0(4) . . ?
C33 C34 C35 121.7(4) . . ?
C33 C34 C38 118.5(4) . . ?
C35 C34 C38 107.3(3) . . ?
C1 C35 C36 120.1(4) . . ?
C1 C35 C34 120.6(4) . . ?
C36 C35 C34 107.5(3) . . ?
C53 C36 C35 120.5(4) . . ?
C53 C36 C37 119.0(3) . . ?
C35 C36 C37 108.8(4) . . ?
C42 C37 C38 121.9(4) . . ?
C42 C37 C36 118.6(3) . . ?
C38 C37 C36 107.6(3) . . ?
C39 C38 C37 119.2(4) . . ?
C39 C38 C34 120.3(4) . . ?
C37 C38 C34 108.9(4) . . ?
C38 C39 C28 120.1(4) . . ?
C38 C39 C40 120.7(4) . . ?
C28 C39 C40 107.4(4) . . ?
C41 C40 C54 119.3(4) . . ?
C41 C40 C39 119.6(4) . . ?
C54 C40 C39 108.9(4) . . ?
C40 C41 C42 119.1(4) . . ?
C40 C41 C45 120.1(4) . . ?
C42 C41 C45 109.2(4) . . ?
C37 C42 C43 119.7(3) . . ?
C37 C42 C41 119.6(4) . . ?
C43 C42 C41 108.5(3) . . ?
C52 C43 C42 120.5(3) . . ?
C52 C43 C44 120.1(4) . . ?
C42 C43 C44 107.8(3) . . ?
C49 C44 C45 119.6(4) . . ?
C49 C44 C43 121.3(4) . . ?
C45 C44 C43 106.8(4) . . ?
C46 C45 C41 120.1(4) . . ?
C46 C45 C44 119.8(4) . . ?
C41 C45 C44 107.8(3) . . ?
C45 C46 C55 119.8(4) . . ?
C45 C46 C47 119.1(4) . . ?
C55 C46 C47 109.2(4) . . ?
C48 C47 C46 119.1(4) . . ?
C48 C47 C20 121.3(4) . . ?
C46 C47 C20 107.4(4) . . ?
C47 C48 C14 119.3(4) . . ?
C47 C48 C49 120.1(4) . . ?
C14 C48 C49 108.9(4) . . ?
C44 C49 C48 122.3(5) . . ?
C44 C49 C50 119.1(4) . . ?
C48 C49 C50 107.4(4) . . ?
C51 C50 C13 119.8(4) . . ?
C51 C50 C49 121.0(4) . . ?
C13 C50 C49 106.8(4) . . ?
C50 C51 C7 121.7(4) . . ?
C50 C51 C52 118.6(4) . . ?
C7 C51 C52 107.3(4) . . ?
C43 C52 C53 121.1(4) . . ?
C43 C52 C51 119.8(4) . . ?
C53 C52 C51 107.4(4) . . ?
C36 C53 C52 120.9(4) . . ?
C36 C53 C6 119.5(3) . . ?
C52 C53 C6 107.9(4) . . ?
C55 C54 C40 121.5(4) . . ?
C55 C54 C27 117.8(4) . . ?
C40 C54 C27 108.9(4) . . ?
C54 C55 C46 119.1(4) . . ?
C54 C55 C21 119.8(4) . . ?
C46 C55 C21 109.0(4) . . ?
C17 C56 C57 119.6(5) . . ?
C17 C56 C60 119.4(5) . . ?
C57 C56 C60 109.1(5) . . ?
C10 C57 C56 119.4(5) . . ?
C10 C57 C58 119.6(4) . . ?
C56 C57 C58 108.5(5) . . ?
C3 C58 C59 119.3(4) . . ?
C3 C58 C57 119.8(5) . . ?
C59 C58 C57 108.8(4) . . ?
C31 C59 C58 120.8(4) . . ?
C31 C59 C60 120.5(5) . . ?
C58 C59 C60 107.2(5) . . ?
C24 C60 C56 120.6(5) . . ?
C24 C60 C59 120.7(5) . . ?
C56 C60 C59 106.3(5) . . ?
N3P Ni1P N1P 179.10(5) . . ?
N3P Ni1P N4P 89.97(6) . . ?
N1P Ni1P N4P 89.93(6) . . ?
N3P Ni1P N2P 89.89(6) . . ?
N1P Ni1P N2P 90.21(6) . . ?
N4P Ni1P N2P 179.55(6) . . ?
C4P N1P C1P 104.41(12) . . ?
C4P N1P Ni1P 127.61(10) . . ?
C1P N1P Ni1P 127.96(11) . . ?
C6P N2P C9P 104.48(12) . . ?
C6P N2P Ni1P 127.54(10) . . ?
C9P N2P Ni1P 127.97(11) . . ?
C11P N3P C14P 104.39(13) . . ?
C11P N3P Ni1P 127.89(11) . . ?
C14P N3P Ni1P 127.72(10) . . ?
C16P N4P C19P 104.47(13) . . ?
C16P N4P Ni1P 127.93(11) . . ?
C19P N4P Ni1P 127.59(11) . . ?
C20P C1P N1P 124.56(14) . . ?
C20P C1P C2P 124.16(14) . . ?
N1P C1P C2P 111.24(14) . . ?
C3P C2P C1P 106.51(13) . . ?
C3P C2P C21P 128.07(16) . . ?
C1P C2P C21P 125.41(16) . . ?
C2P C3P C4P 106.20(14) . . ?
C2P C3P C23P 128.88(14) . . ?
C4P C3P C23P 124.83(15) . . ?
N1P C4P C5P 125.11(14) . . ?
N1P C4P C3P 111.64(13) . . ?
C5P C4P C3P 123.15(15) . . ?
C6P C5P C4P 123.65(15) . . ?
N2P C6P C5P 124.99(13) . . ?
N2P C6P C7P 111.61(13) . . ?
C5P C6P C7P 123.28(15) . . ?
C8P C7P C6P 106.34(14) . . ?
C8P C7P C25P 128.66(14) . . ?
C6P C7P C25P 124.93(15) . . ?
C7P C8P C9P 106.35(13) . . ?
C7P C8P C27P 127.85(15) . . ?
C9P C8P C27P 125.79(15) . . ?
C10P C9P N2P 124.57(14) . . ?
C10P C9P C8P 124.20(14) . . ?
N2P C9P C8P 111.21(14) . . ?
C9P C10P C11P 123.91(14) . . ?
N3P C11P C10P 124.78(14) . . ?
N3P C11P C12P 111.39(14) . . ?
C10P C11P C12P 123.64(14) . . ?
C13P C12P C11P 106.39(14) . . ?
C13P C12P C29P 128.28(16) . . ?
C11P C12P C29P 125.29(15) . . ?
C12P C13P C14P 106.51(14) . . ?
C12P C13P C31P 128.35(15) . . ?
C14P C13P C31P 125.09(15) . . ?
C15P C14P N3P 124.88(14) . . ?
C15P C14P C13P 123.75(15) . . ?
N3P C14P C13P 111.26(14) . . ?
C14P C15P C16P 123.84(15) . . ?
N4P C16P C15P 124.49(14) . . ?
N4P C16P C17P 111.37(14) . . ?
C15P C16P C17P 123.91(15) . . ?
C18P C17P C16P 106.35(14) . . ?
C18P C17P C33P 128.24(16) . . ?
C16P C17P C33P 125.40(16) . . ?
C17P C18P C19P 106.48(14) . . ?
C17P C18P C35P 128.15(16) . . ?
C19P C18P C35P 125.37(16) . . ?
C20P C19P N4P 125.03(14) . . ?
C20P C19P C18P 123.58(15) . . ?
N4P C19P C18P 111.27(15) . . ?
C19P C20P C1P 123.89(14) . . ?
C2P C21P C22P 113.57(18) . . ?
C3P C23P C24P 113.01(16) . . ?
C7P C25P C26P 113.52(15) . . ?
C8P C27P C28P 113.81(15) . . ?
C12P C29P C30P 113.39(18) . . ?
C13P C31P C32P 112.52(18) . . ?
C17P C33P C34P 113.2(2) . . ?
C18P C35P C36P 114.29(18) . . ?
C12S C7S C8S 117.9(3) . . ?
C9S C8S C7S 118.9(3) . . ?
C10S C9S C8S 121.8(3) . . ?
C9S C10S C11S 119.4(3) . . ?
C10S C11S C12S 121.2(3) . . ?
C11S C12S C7S 120.7(3) . . ?
C2S C1S C6S 118.8(4) . . ?
C3S C2S C1S 121.0(3) . . ?
C2S C3S C4S 121.3(3) . . ?
C3S C4S C5S 118.4(4) . . ?
C6S C5S C4S 120.1(3) . . ?
C5S C6S C1S 120.4(3) . . ?

_refine_diff_density_max         0.819
_refine_diff_density_min         -0.398
_refine_diff_density_rms         0.072



####################################################################### 
# 
# 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_sc3n@c80-190k
_database_code_depnum_ccdc_archive 'CCDC 2027147'
loop_
_audit_author_name
_audit_author_address
'Fupin Liu'
;Leibniz Institute for Solid State and Materials Research, Dresden
Germany
;
_audit_update_record             
;
2020-09-03 deposited with the CCDC.	2020-11-03 downloaded from the CCDC.
;
# start Validation Reply Form
_vrf_PLAT308_sc3n@c80-190k       
;
PROBLEM: Single Bonded Metal Atom 
RESPONSE: This is disordered endohedral metal atom
;
_vrf_PLAT029_sc3n@c80-190k       
;
PROBLEM: diffrn_measured_fraction_theta_full value low
RESPONSE: This is caused by the limited phi scan with synchrotron radiation 
X-ray diffraction facility
;

_audit_creation_method           SHELXL-2018/3
_shelx_SHELXL_version_number     2018/3
_chemical_name_systematic        ?
_chemical_name_common            ;Sc3N@Ih(7)-C80/NiOEP/2C6H6;
_chemical_melting_point          ?
_chemical_formula_moiety         ;Sc3N@C80/NiOEP/2C6H6;
_chemical_formula_sum            'C128 H56 N5 Ni Sc2.47'
_chemical_formula_weight         1833.54

loop_
_atom_type_symbol
_atom_type_description
_atom_type_scat_dispersion_real
_atom_type_scat_dispersion_imag
_atom_type_scat_source
C C 0.0048 0.0021 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
H H 0.0000 0.0000 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
N N 0.0087 0.0042 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Ni Ni 0.3285 1.3900 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Sc Sc 0.3094 0.4822 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'

_space_group_crystal_system      triclinic
_space_group_IT_number           2
_space_group_name_H-M_alt        'P -1'
_space_group_name_Hall           '-P 1'

_shelx_space_group_comment       
;
The symmetry employed for this shelxl refinement is uniquely defined
by the following loop, which should always be used as a source of
symmetry information in preference to the above space-group names.
They are only intended as comments.
;

loop_
_space_group_symop_operation_xyz
'x, y, z'
'-x, -y, -z'

_cell_length_a                   14.770(3)
_cell_length_b                   15.460(3)
_cell_length_c                   17.770(4)
_cell_angle_alpha                81.21(3)
_cell_angle_beta                 74.99(3)
_cell_angle_gamma                86.28(3)
_cell_volume                     3871.8(15)
_cell_formula_units_Z            2
_cell_measurement_temperature    190(2)
_cell_measurement_reflns_used    70185
_cell_measurement_theta_min      2.345
_cell_measurement_theta_max      36.605

_exptl_crystal_description       block
_exptl_crystal_colour            black
_exptl_crystal_density_meas      ?
_exptl_crystal_density_method    ?
_exptl_crystal_density_diffrn    1.573
_exptl_crystal_F_000             1878
_exptl_transmission_factor_min   ?
_exptl_transmission_factor_max   ?
_exptl_crystal_size_max          0.100
_exptl_crystal_size_mid          0.080
_exptl_crystal_size_min          0.060
_exptl_absorpt_coefficient_mu    0.713
_shelx_estimated_absorpt_T_min   0.932
_shelx_estimated_absorpt_T_max   0.958
_exptl_absorpt_correction_type   ?
_exptl_absorpt_correction_T_min  ?
_exptl_absorpt_correction_T_max  ?
_exptl_absorpt_process_details   ?
_exptl_absorpt_special_details   ?
_diffrn_ambient_temperature      190(2)
_diffrn_radiation_wavelength     0.7999
_diffrn_radiation_type           synchrotron
_diffrn_source                   'BESSY BL MX-14.2'
_diffrn_measurement_device_type  PILATUS
_diffrn_measurement_method       'phi scan'
_diffrn_detector_area_resol_mean ?
_diffrn_reflns_number            70185
_diffrn_reflns_av_unetI/netI     0.0412
_diffrn_reflns_av_R_equivalents  0.0447
_diffrn_reflns_limit_h_min       -21
_diffrn_reflns_limit_h_max       21
_diffrn_reflns_limit_k_min       -20
_diffrn_reflns_limit_k_max       21
_diffrn_reflns_limit_l_min       -25
_diffrn_reflns_limit_l_max       25
_diffrn_reflns_theta_min         2.345
_diffrn_reflns_theta_max         36.605
_diffrn_reflns_theta_full        28.681
_diffrn_measured_fraction_theta_max 0.784
_diffrn_measured_fraction_theta_full 0.914
_diffrn_reflns_Laue_measured_fraction_max 0.784
_diffrn_reflns_Laue_measured_fraction_full 0.914
_diffrn_reflns_point_group_measured_fraction_max 0.784
_diffrn_reflns_point_group_measured_fraction_full 0.914
_reflns_number_total             21056
_reflns_number_gt                20690
_reflns_threshold_expression     'I > 2σ(I)'
_reflns_Friedel_coverage         0.000
_reflns_Friedel_fraction_max     .
_reflns_Friedel_fraction_full    .

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

_computing_data_collection       XDS
_computing_cell_refinement       XDS
_computing_data_reduction        XDS
_computing_structure_solution    'SHELXT 2018/2 (Sheldrick, 2018)'
_computing_structure_refinement  'SHELXL-2018/3 (Sheldrick, 2018)'
_computing_molecular_graphics    ?
_computing_publication_material  ?
_refine_special_details          ?
_refine_ls_structure_factor_coef Fsqd
_refine_ls_matrix_type           full
_refine_ls_weighting_scheme      calc
_refine_ls_weighting_details     
'w=1/[σ²(Fo²)+(0.1985P)²+3.6651P] where P=(Fo²+2Fc²)/3'
_atom_sites_solution_primary     ?
_atom_sites_solution_secondary   ?
_atom_sites_solution_hydrogens   geom
_refine_ls_hydrogen_treatment    constr
_refine_ls_extinction_method     none
_refine_ls_extinction_coef       .
_refine_ls_number_reflns         21056
_refine_ls_number_parameters     1413
_refine_ls_number_restraints     1134
_refine_ls_R_factor_all          0.0965
_refine_ls_R_factor_gt           0.0957
_refine_ls_wR_factor_ref         0.2893
_refine_ls_wR_factor_gt          0.2881
_refine_ls_goodness_of_fit_ref   1.058
_refine_ls_restrained_S_all      1.115
_refine_ls_shift/su_max          0.005
_refine_ls_shift/su_mean         0.001

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
N1 N 0.55844(14) 0.79209(14) 0.76290(11) 0.0259(4) Uani 1 1 d . . . A 1
Sc1 Sc 0.6031(4) 0.7087(5) 0.6834(4) 0.0625(15) Uani 0.223(6) 1 d . U . B 2
Sc2 Sc 0.4486(3) 0.8613(5) 0.8188(5) 0.0741(19) Uani 0.206(6) 1 d . U . B 2
Sc3 Sc 0.6261(8) 0.7079(8) 0.8309(7) 0.067(2) Uani 0.120(5) 1 d . U . B 2
Sc4 Sc 0.5938(9) 0.6780(9) 0.7280(10) 0.066(2) Uani 0.081(4) 1 d . U . B 2
Sc5 Sc 0.5309(13) 0.7599(13) 0.8793(6) 0.080(3) Uani 0.076(4) 1 d . U . B 2
Sc6 Sc 0.4339(5) 0.8564(7) 0.7711(7) 0.076(2) Uani 0.150(5) 1 d . U . B 2
Sc7 Sc 0.6673(6) 0.7459(7) 0.8063(5) 0.070(2) Uani 0.132(4) 1 d . U . B 2
Sc8 Sc 0.4887(9) 0.9095(9) 0.7634(11) 0.084(3) Uani 0.102(5) 1 d . U . B 2
Sc9 Sc 0.6225(6) 0.7547(6) 0.6576(3) 0.0742(18) Uani 0.235(7) 1 d . U . B 2
Sc10 Sc 0.4607(7) 0.8761(8) 0.7305(7) 0.081(2) Uani 0.148(5) 1 d . U . B 2
Sc11 Sc 0.5959(12) 0.7951(11) 0.8615(6) 0.072(2) Uani 0.110(5) 1 d . U . B 2
Sc12 Sc 0.5840(6) 0.7353(7) 0.8638(4) 0.074(2) Uani 0.164(5) 1 d . U . B 2
Sc13 Sc 0.5785(11) 0.7754(8) 0.6500(4) 0.066(2) Uani 0.126(6) 1 d . U . B 2
Sc14 Sc 0.6074(12) 0.8203(14) 0.6484(6) 0.074(3) Uani 0.076(4) 1 d . U . B 2
Sc15 Sc 0.6856(11) 0.7889(12) 0.6893(9) 0.084(3) Uani 0.070(3) 1 d . U . B 2
Sc16 Sc 0.6224(14) 0.6778(17) 0.8006(12) 0.073(3) Uani 0.055(4) 1 d . U . B 2
Sc17 Sc 0.6891(12) 0.7528(15) 0.7600(12) 0.069(3) Uani 0.052(3) 1 d . U . B 2
Sc18 Sc 0.5178(12) 0.7877(10) 0.6643(7) 0.070(2) Uani 0.074(3) 1 d . U . B 2
Sc19 Sc 0.4710(11) 0.8366(11) 0.8540(9) 0.086(3) Uani 0.093(5) 1 d . U . B 2
Sc20 Sc 0.6375(10) 0.8024(9) 0.8351(8) 0.068(2) Uani 0.101(5) 1 d . U . B 2
Sc21 Sc 0.5113(13) 0.9140(11) 0.7256(12) 0.078(3) Uani 0.080(5) 1 d . U . B 2
C1 C 0.7799(4) 0.6501(5) 0.6524(4) 0.0863(18) Uani 1 1 d . U . C 1
C2 C 0.8075(6) 0.6601(8) 0.7293(7) 0.148(4) Uani 1 1 d . U . C 1
C3 C 0.8393(4) 0.7430(7) 0.7237(6) 0.117(3) Uani 1 1 d . U . C 1
C4 C 0.8368(3) 0.7929(7) 0.6463(4) 0.100(2) Uani 1 1 d . U . C 1
C5 C 0.7995(6) 0.7380(9) 0.6046(5) 0.145(3) Uani 1 1 d . U . C 1
C6 C 0.7503(5) 0.7678(7) 0.5526(3) 0.117(3) Uani 1 1 d . U . C 1
C7 C 0.7343(5) 0.8616(6) 0.5431(3) 0.099(2) Uani 1 1 d . U . C 1
C8 C 0.7604(6) 0.9197(6) 0.5861(4) 0.114(3) Uani 1 1 d . U . C 1
C9 C 0.8164(4) 0.8839(7) 0.6425(5) 0.117(3) Uani 1 1 d . U . C 1
C10 C 0.8046(5) 0.9195(7) 0.7058(6) 0.125(3) Uani 1 1 d . U . C 1
C11 C 0.7348(7) 0.9960(5) 0.7190(6) 0.115(3) Uani 1 1 d . U . C 1
C12 C 0.6846(9) 1.0228(6) 0.6699(6) 0.132(3) Uani 1 1 d . U . C 1
C13 C 0.6924(8) 0.9883(6) 0.6013(5) 0.123(3) Uani 1 1 d . U . C 1
C14 C 0.6179(6) 0.9730(5) 0.5657(4) 0.108(2) Uani 1 1 d . U . C 1
C15 C 0.5254(10) 0.9945(8) 0.5993(6) 0.159(4) Uani 1 1 d . U . C 1
C16 C 0.5066(8) 1.0462(5) 0.6683(5) 0.120(3) Uani 1 1 d . U . C 1
C17 C 0.5890(9) 1.0569(4) 0.6974(7) 0.129(3) Uani 1 1 d . U . C 1
C18 C 0.5584(7) 1.0519(4) 0.7795(6) 0.109(2) Uani 1 1 d . U . C 1
C19 C 0.4608(8) 1.0387(4) 0.8035(7) 0.128(3) Uani 1 1 d . U . C 1
C20 C 0.4234(8) 1.0322(6) 0.7331(7) 0.132(3) Uani 1 1 d . U . C 1
C21 C 0.3488(6) 0.9682(8) 0.7279(5) 0.133(3) Uani 1 1 d . U . C 1
C22 C 0.3065(6) 0.9310(9) 0.7952(8) 0.164(4) Uani 1 1 d . U . C 1
C23 C 0.3320(4) 0.9389(5) 0.8756(4) 0.0907(18) Uani 1 1 d . U . C 1
C24 C 0.4075(9) 0.9878(7) 0.8736(8) 0.158(4) Uani 1 1 d . U . C 1
C25 C 0.4649(8) 0.9673(6) 0.9166(5) 0.128(3) Uani 1 1 d . U . C 1
C26 C 0.4346(6) 0.8775(5) 0.9740(3) 0.104(2) Uani 1 1 d . U . C 1
C27 C 0.3650(6) 0.8133(8) 0.9720(4) 0.135(3) Uani 1 1 d . U . C 1
C28 C 0.3133(6) 0.8533(9) 0.9216(6) 0.150(4) Uani 1 1 d . U . C 1
C29 C 0.2799(4) 0.7939(7) 0.8791(5) 0.114(2) Uani 1 1 d . U . C 1
C30 C 0.2991(5) 0.7010(8) 0.8825(6) 0.135(3) Uani 1 1 d . U . C 1
C31 C 0.3551(7) 0.6664(7) 0.9419(5) 0.138(3) Uani 1 1 d . U . C 1
C32 C 0.3838(5) 0.7232(6) 0.9822(3) 0.105(2) Uani 1 1 d . U . C 1
C33 C 0.4743(7) 0.6976(7) 0.9969(3) 0.120(3) Uani 1 1 d . U . C 1
C34 C 0.5006(7) 0.6108(6) 0.9606(4) 0.118(3) Uani 1 1 d . U . C 1
C35 C 0.4240(9) 0.5950(6) 0.9255(6) 0.142(3) Uani 1 1 d . U . C 1
C36 C 0.4305(10) 0.5616(6) 0.8562(7) 0.144(3) Uani 1 1 d . U . C 1
C37 C 0.5282(10) 0.5267(4) 0.8300(7) 0.136(3) Uani 1 1 d . U . C 1
C38 C 0.6123(8) 0.5397(5) 0.8578(6) 0.135(3) Uani 1 1 d D U . C 1
C39 C 0.5977(8) 0.5884(7) 0.9245(6) 0.167(4) Uani 1 1 d D U . C 1
C40 C 0.6669(7) 0.6410(6) 0.9290(4) 0.125(3) Uani 1 1 d D U . C 1
C41 C 0.7504(5) 0.6555(6) 0.8663(4) 0.113(3) Uani 1 1 d D U . C 1
C42 C 0.7652(5) 0.6176(7) 0.7973(4) 0.128(3) Uani 1 1 d D U . C 1
C43 C 0.6913(8) 0.5555(6) 0.7920(6) 0.139(3) Uani 1 1 d D U . C 1
C44 C 0.6566(8) 0.5461(5) 0.7232(7) 0.139(3) Uani 1 1 d . U . C 1
C45 C 0.7109(9) 0.6003(7) 0.6538(8) 0.155(4) Uani 1 1 d . U . C 1
C46 C 0.6527(7) 0.6176(6) 0.6048(5) 0.127(3) Uani 1 1 d . U . C 1
C47 C 0.5497(7) 0.6084(6) 0.6222(5) 0.123(3) Uani 1 1 d . U . C 1
C48 C 0.5002(9) 0.5688(5) 0.6940(7) 0.137(3) Uani 1 1 d . U . C 1
C49 C 0.5602(8) 0.5310(4) 0.7478(7) 0.122(3) Uani 1 1 d . U . C 1
C50 C 0.3822(9) 0.5868(7) 0.8070(7) 0.140(3) Uani 1 1 d . U . C 1
C51 C 0.4113(9) 0.5927(7) 0.7310(8) 0.148(3) Uani 1 1 d . U . C 1
C52 C 0.3750(7) 0.6669(7) 0.6830(7) 0.133(3) Uani 1 1 d . U . C 1
C53 C 0.3043(5) 0.7143(8) 0.7489(7) 0.139(3) Uani 1 1 d . U . C 1
C54 C 0.3104(6) 0.6629(8) 0.8214(8) 0.147(3) Uani 1 1 d . U . C 1
C55 C 0.2740(3) 0.8422(8) 0.8030(6) 0.126(3) Uani 1 1 d . U . C 1
C56 C 0.2937(4) 0.7977(8) 0.7336(6) 0.120(3) Uani 1 1 d . U . C 1
C57 C 0.3397(4) 0.8445(7) 0.6618(5) 0.110(2) Uani 1 1 d . U . C 1
C58 C 0.3692(5) 0.9337(6) 0.6597(4) 0.110(2) Uani 1 1 d . U . C 1
C59 C 0.4523(6) 0.9481(6) 0.5995(5) 0.115(3) Uani 1 1 d . U . C 1
C60 C 0.4822(6) 0.8622(7) 0.5576(3) 0.116(3) Uani 1 1 d . U . C 1
C61 C 0.4046(6) 0.8059(7) 0.6009(5) 0.117(2) Uani 1 1 d . U . C 1
C62 C 0.4185(7) 0.7176(7) 0.6153(6) 0.127(3) Uani 1 1 d . U . C 1
C63 C 0.5159(7) 0.6831(7) 0.5802(5) 0.120(3) Uani 1 1 d . U . C 1
C64 C 0.5955(7) 0.7460(6) 0.5350(3) 0.115(2) Uani 1 1 d . U . C 1
C65 C 0.5771(7) 0.8367(7) 0.5262(3) 0.121(3) Uani 1 1 d . U . C 1
C66 C 0.6425(6) 0.8880(6) 0.5295(2) 0.114(3) Uani 1 1 d . U . C 1
C67 C 0.6819(5) 0.7059(6) 0.5491(4) 0.102(2) Uani 1 1 d . U . C 1
C68 C 0.8091(5) 0.8740(8) 0.7766(6) 0.129(3) Uani 1 1 d . U . C 1
C69 C 0.7390(6) 0.9169(6) 0.8449(6) 0.119(3) Uani 1 1 d . U . C 1
C70 C 0.7036(7) 0.9916(6) 0.7964(7) 0.128(3) Uani 1 1 d . U . C 1
C71 C 0.6167(8) 1.0155(5) 0.8325(6) 0.131(3) Uani 1 1 d . U . C 1
C72 C 0.5641(7) 0.9742(5) 0.9040(5) 0.111(2) Uani 1 1 d . U . C 1
C73 C 0.5974(7) 0.9010(6) 0.9461(4) 0.115(2) Uani 1 1 d . U . C 1
C74 C 0.6938(8) 0.8682(7) 0.9123(6) 0.132(3) Uani 1 1 d . U . C 1
C75 C 0.7094(7) 0.7812(7) 0.9256(5) 0.128(3) Uani 1 1 d . U . C 1
C76 C 0.6345(6) 0.7212(7) 0.9690(3) 0.120(3) Uani 1 1 d . U . C 1
C77 C 0.5404(8) 0.7486(7) 0.9988(3) 0.125(3) Uani 1 1 d . U . C 1
C78 C 0.5192(7) 0.8380(5) 0.9893(3) 0.111(2) Uani 1 1 d . U . C 1
C79 C 0.7766(5) 0.7424(7) 0.8649(5) 0.110(2) Uani 1 1 d . U . C 1
C80 C 0.8234(4) 0.7882(7) 0.7909(6) 0.118(3) Uani 1 1 d . U . C 1
Ni1P Ni 0.92615(2) 0.54129(2) 0.58032(2) 0.02077(11) Uani 1 1 d . . . D 1
N1P N 0.88561(13) 0.56805(14) 0.48265(11) 0.0237(4) Uani 1 1 d . . . D 1
N2P N 1.00193(13) 0.64633(13) 0.55030(11) 0.0227(3) Uani 1 1 d . . . D 1
N3P N 0.96279(13) 0.51706(14) 0.67984(11) 0.0253(4) Uani 1 1 d . . . D 1
N4P N 0.84597(13) 0.43911(14) 0.61221(12) 0.0253(4) Uani 1 1 d . . . D 1
C1P C 0.82309(15) 0.52315(16) 0.45854(13) 0.0255(4) Uani 1 1 d . . . D 1
C2P C 0.80693(17) 0.56657(18) 0.38474(15) 0.0300(5) Uani 1 1 d . . . D 1
C3P C 0.85998(18) 0.63940(18) 0.36369(14) 0.0310(5) Uani 1 1 d . . . D 1
C4P C 0.90854(16) 0.63891(17) 0.42454(13) 0.0266(4) Uani 1 1 d . . . D 1
C5P C 0.96937(17) 0.70265(17) 0.42365(14) 0.0276(4) Uani 1 1 d . . . D 1
H5P H 0.982987 0.746803 0.379134 0.033 Uiso 1 1 calc R U . D 1
C6P C 1.01172(15) 0.70642(16) 0.48325(13) 0.0251(4) Uani 1 1 d . . . D 1
C7P C 1.07111(16) 0.77685(17) 0.48325(15) 0.0296(5) Uani 1 1 d . . . D 1
C8P C 1.09843(16) 0.75899(17) 0.55159(15) 0.0293(5) Uani 1 1 d . . . D 1
C9P C 1.05551(14) 0.67828(16) 0.59215(13) 0.0245(4) Uani 1 1 d . . . D 1
C10P C 1.06649(15) 0.63937(17) 0.66425(14) 0.0267(4) Uani 1 1 d . . . D 1
H10P H 1.107478 0.665537 0.687013 0.032 Uiso 1 1 calc R U . D 1
C11P C 1.02159(15) 0.56468(18) 0.70551(13) 0.0275(4) Uani 1 1 d . . . D 1
C12P C 1.02853(17) 0.5285(2) 0.78368(15) 0.0351(6) Uani 1 1 d . . . D 1
C13P C 0.97260(19) 0.4572(2) 0.80606(15) 0.0379(6) Uani 1 1 d . . . D 1
C14P C 0.93324(17) 0.45054(19) 0.74100(14) 0.0314(5) Uani 1 1 d . . . D 1
C15P C 0.87237(19) 0.38645(19) 0.74134(15) 0.0344(5) Uani 1 1 d . . . D 1
H15P H 0.858059 0.342668 0.786109 0.041 Uiso 1 1 calc R U . D 1
C16P C 0.83124(17) 0.38175(18) 0.68148(15) 0.0306(5) Uani 1 1 d . . . D 1
C17P C 0.76597(19) 0.31490(18) 0.68280(17) 0.0349(5) Uani 1 1 d . . . D 1
C18P C 0.74162(17) 0.33140(18) 0.61429(17) 0.0325(5) Uani 1 1 d . . . D 1
C19P C 0.79056(15) 0.40880(16) 0.57086(14) 0.0268(4) Uani 1 1 d . . . D 1
C20P C 0.77987(16) 0.44756(16) 0.49910(15) 0.0279(4) Uani 1 1 d . . . D 1
H20P H 0.740073 0.420599 0.475740 0.033 Uiso 1 1 calc R U . D 1
C21P C 0.7383(2) 0.5381(2) 0.34551(18) 0.0386(6) Uani 1 1 d . . . D 1
H21A H 0.740072 0.473418 0.350612 0.046 Uiso 1 1 calc R U . D 1
H21B H 0.756508 0.561360 0.288745 0.046 Uiso 1 1 calc R U . D 1
C22P C 0.6386(2) 0.5700(3) 0.3813(3) 0.0624(12) Uani 1 1 d . . . D 1
H22A H 0.596969 0.556778 0.349962 0.094 Uiso 1 1 calc R U . D 1
H22B H 0.637990 0.633419 0.381626 0.094 Uiso 1 1 calc R U . D 1
H22C H 0.616969 0.540414 0.435392 0.094 Uiso 1 1 calc R U . D 1
C23P C 0.8649(2) 0.7102(2) 0.29536(16) 0.0428(6) Uani 1 1 d . . . D 1
H23A H 0.845517 0.686817 0.253282 0.051 Uiso 1 1 calc R U . D 1
H23B H 0.930628 0.728893 0.274144 0.051 Uiso 1 1 calc R U . D 1
C24P C 0.8020(3) 0.7900(3) 0.3183(2) 0.0602(10) Uani 1 1 d . . . D 1
H24A H 0.807082 0.834555 0.271865 0.090 Uiso 1 1 calc R U . D 1
H24B H 0.822050 0.814421 0.358941 0.090 Uiso 1 1 calc R U . D 1
H24C H 0.736760 0.772064 0.338620 0.090 Uiso 1 1 calc R U . D 1
C25P C 1.0937(2) 0.8535(2) 0.41959(19) 0.0415(6) Uani 1 1 d . . . D 1
H25A H 1.111160 0.832139 0.367829 0.050 Uiso 1 1 calc R U . D 1
H25B H 1.148429 0.883244 0.425210 0.050 Uiso 1 1 calc R U . D 1
C26P C 1.0119(3) 0.9192(2) 0.4217(3) 0.0527(8) Uani 1 1 d . . . D 1
H26A H 1.032229 0.971007 0.382963 0.079 Uiso 1 1 calc R U . D 1
H26B H 0.990520 0.936583 0.474369 0.079 Uiso 1 1 calc R U . D 1
H26C H 0.960295 0.892395 0.409101 0.079 Uiso 1 1 calc R U . D 1
C27P C 1.1579(2) 0.8130(2) 0.5819(2) 0.0407(6) Uani 1 1 d . . . D 1
H27A H 1.194608 0.853425 0.537480 0.049 Uiso 1 1 calc R U . D 1
H27B H 1.202735 0.773900 0.604747 0.049 Uiso 1 1 calc R U . D 1
C28P C 1.0996(3) 0.8664(3) 0.6448(3) 0.0667(13) Uani 1 1 d . . . D 1
H28A H 1.057137 0.907223 0.621772 0.100 Uiso 1 1 calc R U . D 1
H28B H 1.141545 0.899352 0.663783 0.100 Uiso 1 1 calc R U . D 1
H28C H 1.062808 0.826691 0.688809 0.100 Uiso 1 1 calc R U . D 1
C29P C 1.0831(2) 0.5669(3) 0.82979(18) 0.0463(7) Uani 1 1 d . . . D 1
H29A H 1.144832 0.584568 0.794803 0.056 Uiso 1 1 calc R U . D 1
H29B H 1.094351 0.521387 0.872288 0.056 Uiso 1 1 calc R U . D 1
C30P C 1.0330(3) 0.6473(4) 0.8667(3) 0.0676(12) Uani 1 1 d . . . D 1
H30A H 1.024875 0.694006 0.824852 0.101 Uiso 1 1 calc R U . D 1
H30B H 1.071101 0.668348 0.897622 0.101 Uiso 1 1 calc R U . D 1
H30C H 0.971553 0.630516 0.901111 0.101 Uiso 1 1 calc R U . D 1
C31P C 0.9501(2) 0.3982(3) 0.8836(2) 0.0566(10) Uani 1 1 d . . . D 1
H31A H 1.002547 0.398479 0.908777 0.068 Uiso 1 1 calc R U . D 1
H31B H 0.944309 0.337601 0.874149 0.068 Uiso 1 1 calc R U . D 1
C32P C 0.8591(3) 0.4262(5) 0.9398(2) 0.097(2) Uani 1 1 d . . . D 1
H32A H 0.806224 0.422101 0.916794 0.146 Uiso 1 1 calc R U . D 1
H32B H 0.863742 0.486805 0.948223 0.146 Uiso 1 1 calc R U . D 1
H32C H 0.849127 0.387714 0.990258 0.146 Uiso 1 1 calc R U . D 1
C33P C 0.7320(3) 0.2437(2) 0.7502(2) 0.0501(8) Uani 1 1 d . . . D 1
H33A H 0.783341 0.225776 0.776273 0.060 Uiso 1 1 calc R U . D 1
H33B H 0.716661 0.192240 0.729367 0.060 Uiso 1 1 calc R U . D 1
C34P C 0.6471(5) 0.2707(4) 0.8106(3) 0.0871(18) Uani 1 1 d . . . D 1
H34A H 0.598931 0.296289 0.784241 0.131 Uiso 1 1 calc R U . D 1
H34B H 0.664739 0.314179 0.838687 0.131 Uiso 1 1 calc R U . D 1
H34C H 0.622239 0.219344 0.848184 0.131 Uiso 1 1 calc R U . D 1
C35P C 0.6757(2) 0.2816(2) 0.5864(2) 0.0421(6) Uani 1 1 d . . . D 1
H35A H 0.676065 0.219752 0.611176 0.051 Uiso 1 1 calc R U . D 1
H35B H 0.698433 0.282800 0.528775 0.051 Uiso 1 1 calc R U . D 1
C36P C 0.5756(2) 0.3183(4) 0.6055(3) 0.0674(12) Uani 1 1 d . . . D 1
H36A H 0.536788 0.285998 0.582785 0.101 Uiso 1 1 calc R U . D 1
H36B H 0.574996 0.380362 0.583348 0.101 Uiso 1 1 calc R U . D 1
H36C H 0.550474 0.312274 0.662753 0.101 Uiso 1 1 calc R U . D 1
C1S C 0.7314(3) 0.6230(3) 1.1156(3) 0.0621(10) Uani 1 1 d . . . E 1
H1S H 0.729090 0.562550 1.112115 0.075 Uiso 1 1 calc R U . E 1
C2S C 0.6570(4) 0.6632(4) 1.1621(3) 0.0701(11) Uani 1 1 d . . . E 1
H2S H 0.603979 0.629589 1.190050 0.084 Uiso 1 1 calc R U . E 1
C3S C 0.6564(4) 0.7483(4) 1.1695(3) 0.0767(13) Uani 1 1 d . . . E 1
H3S H 0.603469 0.774789 1.201542 0.092 Uiso 1 1 calc R U . E 1
C4S C 0.7345(5) 0.7971(4) 1.1295(4) 0.0814(15) Uani 1 1 d . . . E 1
H4S H 0.735950 0.857153 1.134936 0.098 Uiso 1 1 calc R U . E 1
C5S C 0.8111(4) 0.7576(4) 1.0811(4) 0.0845(17) Uani 1 1 d . . . E 1
H5S H 0.864609 0.790375 1.052770 0.101 Uiso 1 1 calc R U . E 1
C6S C 0.8072(3) 0.6678(4) 1.0751(3) 0.0669(12) Uani 1 1 d . . . E 1
H6S H 0.858172 0.639572 1.042552 0.080 Uiso 1 1 calc R U . E 1
C7S C 1.0086(7) 1.0340(9) 0.7987(5) 0.223(6) Uani 1 1 d G U . F 1
H7S H 1.050732 1.040078 0.747890 0.267 Uiso 1 1 calc R U . F 1
C8S C 0.9432(9) 1.1004(7) 0.8200(6) 0.227(6) Uani 1 1 d G U . F 1
H8S H 0.940500 1.151824 0.783751 0.273 Uiso 1 1 calc R U . F 1
C9S C 0.8816(7) 1.0915(8) 0.8944(7) 0.227(6) Uani 1 1 d G U . F 1
H9S H 0.836832 1.136840 0.909008 0.273 Uiso 1 1 calc R U . F 1
C10S C 0.8855(8) 1.0162(9) 0.9476(5) 0.241(7) Uani 1 1 d G U . F 1
H10S H 0.843395 1.010108 0.998405 0.290 Uiso 1 1 calc R U . F 1
C11S C 0.9510(9) 0.9498(7) 0.9263(6) 0.253(7) Uani 1 1 d G U . F 1
H11S H 0.953626 0.898361 0.962545 0.303 Uiso 1 1 calc R U . F 1
C12S C 1.0125(7) 0.9587(7) 0.8518(7) 0.217(6) Uani 1 1 d G U . F 1
H12S H 1.057296 0.913344 0.837288 0.260 Uiso 1 1 calc R U . F 1


_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
Sc1 Sc9 0.810(8) . ?
Sc1 Sc4 0.842(17) . ?
Sc1 Sc13 1.193(15) . ?
Sc1 Sc14 1.74(2) . ?
Sc1 Sc18 1.758(16) . ?
Sc1 Sc15 1.83(2) . ?
Sc1 Sc16 2.15(2) . ?
Sc1 Sc17 2.284(18) . ?
Sc1 Sc3 2.727(11) . ?
Sc1 Sc7 2.743(9) . ?
Sc1 Sc12 3.230(9) . ?
Sc1 Sc10 3.296(10) . ?
Sc2 Sc19 0.816(17) . ?
Sc2 Sc6 0.941(11) . ?
Sc2 Sc8 1.185(19) . ?
Sc2 Sc10 1.515(14) . ?
Sc2 Sc21 1.78(2) . ?
Sc2 Sc5 2.238(18) . ?
Sc2 Sc11 2.587(14) . ?
Sc2 Sc12 2.878(10) . ?
Sc2 Sc20 2.952(13) . ?
Sc2 Sc18 3.037(13) . ?
Sc2 Sc14 3.433(12) . ?
Sc2 Sc3 3.446(12) . ?
Sc3 Sc16 0.78(2) . ?
Sc3 Sc7 0.858(12) . ?
Sc3 Sc12 0.871(13) . ?
Sc3 Sc17 1.46(3) . ?
Sc3 Sc20 1.496(19) . ?
Sc3 Sc11 1.53(2) . ?
Sc3 Sc5 1.67(2) . ?
Sc3 Sc4 2.128(16) . ?
Sc3 Sc15 2.589(19) . ?
Sc3 Sc19 2.923(19) . ?
Sc3 Sc9 3.069(12) . ?
Sc4 Sc16 1.46(3) . ?
Sc4 Sc9 1.58(2) . ?
Sc4 Sc13 1.93(2) . ?
Sc4 Sc17 2.11(2) . ?
Sc4 Sc15 2.17(2) . ?
Sc4 Sc18 2.29(2) . ?
Sc4 Sc7 2.365(15) . ?
Sc4 Sc14 2.42(3) . ?
Sc4 Sc12 2.661(15) . ?
Sc4 Sc5 3.048(19) . ?
Sc5 Sc12 0.847(17) . ?
Sc5 Sc11 1.08(2) . ?
Sc5 Sc19 1.52(3) . ?
Sc5 Sc20 1.69(2) . ?
Sc5 Sc7 2.113(19) . ?
Sc5 Sc16 2.17(3) . ?
Sc5 Sc17 2.73(3) . ?
Sc5 Sc6 2.871(16) . ?
Sc5 Sc8 3.00(2) . ?
Sc6 Sc10 0.756(11) . ?
Sc6 Sc8 1.158(19) . ?
Sc6 Sc21 1.48(3) . ?
Sc6 Sc19 1.68(2) . ?
Sc6 Sc18 2.344(16) . ?
Sc6 Sc13 2.977(13) . ?
Sc6 Sc14 2.988(15) . ?
Sc6 Sc11 3.230(13) . ?
Sc6 Sc12 3.397(10) . ?
Sc6 Sc9 3.434(9) . ?
Sc7 Sc17 0.795(19) . ?
Sc7 Sc20 1.090(15) . ?
Sc7 Sc16 1.31(3) . ?
Sc7 Sc12 1.381(13) . ?
Sc7 Sc11 1.496(17) . ?
Sc7 Sc15 2.036(18) . ?
Sc7 Sc9 2.869(10) . ?
Sc7 Sc19 3.107(16) . ?
Sc8 Sc21 0.664(17) . ?
Sc8 Sc10 1.013(18) . ?
Sc8 Sc19 1.79(3) . ?
Sc8 Sc18 2.71(2) . ?
Sc8 Sc14 2.802(19) . ?
Sc8 Sc11 2.967(19) . ?
Sc8 Sc20 3.088(17) . ?
Sc8 Sc13 3.109(16) . ?
Sc8 Sc15 3.426(16) . ?
Sc9 Sc13 0.740(10) . ?
Sc9 Sc14 1.02(2) . ?
Sc9 Sc15 1.38(2) . ?
Sc9 Sc18 1.577(17) . ?
Sc9 Sc17 2.278(19) . ?
Sc9 Sc16 2.64(2) . ?
Sc9 Sc10 3.078(12) . ?
Sc9 Sc21 3.095(17) . ?
Sc10 Sc21 0.96(2) . ?
Sc10 Sc18 1.947(19) . ?
Sc10 Sc19 2.23(2) . ?
Sc10 Sc14 2.465(17) . ?
Sc10 Sc13 2.558(16) . ?
Sc10 Sc15 3.443(16) . ?
Sc11 Sc20 0.674(13) . ?
Sc11 Sc12 0.945(14) . ?
Sc11 Sc19 1.95(2) . ?
Sc11 Sc17 2.13(2) . ?
Sc11 Sc16 2.21(3) . ?
Sc11 Sc15 3.017(18) . ?
Sc12 Sc20 1.303(19) . ?
Sc12 Sc16 1.51(3) . ?
Sc12 Sc17 2.07(2) . ?
Sc12 Sc19 2.236(19) . ?
Sc12 Sc15 3.084(16) . ?
Sc13 Sc14 0.83(2) . ?
Sc13 Sc18 0.883(18) . ?
Sc13 Sc15 1.92(2) . ?
Sc13 Sc21 2.701(19) . ?
Sc13 Sc17 2.826(19) . ?
Sc13 Sc16 3.07(2) . ?
Sc14 Sc18 1.39(3) . ?
Sc14 Sc15 1.53(2) . ?
Sc14 Sc21 2.31(2) . ?
Sc14 Sc17 2.63(2) . ?
Sc15 Sc17 1.31(3) . ?
Sc15 Sc16 2.44(3) . ?
Sc15 Sc20 2.54(2) . ?
Sc15 Sc18 2.63(2) . ?
Sc16 Sc17 1.54(4) . ?
Sc16 Sc20 2.15(3) . ?
Sc17 Sc20 1.63(2) . ?
Sc18 Sc21 2.36(2) . ?
Sc19 Sc21 2.35(3) . ?
Sc19 Sc20 2.43(2) . ?
C1 C45 1.309(14) . ?
C1 C5 1.492(13) . ?
C1 C2 1.556(14) . ?
C2 C42 1.304(13) . ?
C2 C3 1.374(15) . ?
C3 C80 1.434(12) . ?
C3 C4 1.479(13) . ?
C4 C9 1.415(12) . ?
C4 C5 1.427(14) . ?
C5 C6 1.330(12) . ?
C6 C7 1.445(12) . ?
C6 C67 1.454(12) . ?
C7 C8 1.396(11) . ?
C7 C66 1.460(11) . ?
C8 C13 1.420(13) . ?
C8 C9 1.480(12) . ?
C9 C10 1.294(12) . ?
C10 C68 1.359(13) . ?
C10 C11 1.523(14) . ?
C11 C12 1.291(14) . ?
C11 C70 1.325(12) . ?
C12 C13 1.379(13) . ?
C12 C17 1.461(15) . ?
C13 C14 1.451(12) . ?
C14 C15 1.383(14) . ?
C14 C66 1.532(12) . ?
C15 C59 1.334(15) . ?
C15 C16 1.521(17) . ?
C16 C20 1.451(15) . ?
C16 C17 1.469(14) . ?
C17 C18 1.402(13) . ?
C18 C19 1.413(13) . ?
C18 C71 1.463(14) . ?
C19 C24 1.436(16) . ?
C19 C20 1.512(15) . ?
C20 C21 1.556(16) . ?
C21 C22 1.266(14) . ?
C21 C58 1.353(12) . ?
C22 C55 1.459(16) . ?
C22 C23 1.592(16) . ?
C23 C24 1.377(15) . ?
C23 C28 1.448(14) . ?
C24 C25 1.277(15) . ?
C25 C72 1.431(12) . ?
C25 C26 1.606(13) . ?
C26 C78 1.427(11) . ?
C26 C27 1.485(14) . ?
C27 C28 1.375(13) . ?
C27 C32 1.396(12) . ?
C28 C29 1.457(14) . ?
C29 C30 1.441(14) . ?
C29 C55 1.463(13) . ?
C30 C54 1.280(14) . ?
C30 C31 1.519(14) . ?
C31 C32 1.365(13) . ?
C31 C35 1.463(15) . ?
C32 C33 1.446(12) . ?
C33 C77 1.305(12) . ?
C33 C34 1.560(13) . ?
C34 C39 1.455(13) . ?
C34 C35 1.475(14) . ?
C35 C36 1.385(14) . ?
C36 C50 1.268(15) . ?
C36 C37 1.490(17) . ?
C37 C49 1.406(14) . ?
C37 C38 1.485(14) . ?
C38 C43 1.425(13) . ?
C38 C39 1.462(15) . ?
C39 C40 1.371(14) . ?
C40 C41 1.436(11) . ?
C40 C76 1.513(12) . ?
C41 C42 1.399(11) . ?
C41 C79 1.417(12) . ?
C42 C43 1.529(14) . ?
C43 C44 1.472(15) . ?
C44 C49 1.402(14) . ?
C44 C45 1.458(16) . ?
C45 C46 1.362(15) . ?
C46 C47 1.483(13) . ?
C46 C67 1.573(13) . ?
C47 C48 1.370(13) . ?
C47 C63 1.412(13) . ?
C48 C51 1.361(15) . ?
C48 C49 1.497(15) . ?
C50 C51 1.298(14) . ?
C50 C54 1.537(16) . ?
C51 C52 1.481(15) . ?
C52 C62 1.360(14) . ?
C52 C53 1.591(15) . ?
C53 C56 1.285(13) . ?
C53 C54 1.428(15) . ?
C55 C56 1.458(13) . ?
C56 C57 1.394(12) . ?
C57 C61 1.426(12) . ?
C57 C58 1.466(12) . ?
C58 C59 1.408(11) . ?
C59 C60 1.603(13) . ?
C60 C65 1.422(12) . ?
C60 C61 1.460(12) . ?
C61 C62 1.361(13) . ?
C62 C63 1.510(13) . ?
C63 C64 1.548(13) . ?
C64 C65 1.404(12) . ?
C64 C67 1.446(11) . ?
C65 C66 1.307(11) . ?
C68 C80 1.325(13) . ?
C68 C69 1.578(14) . ?
C69 C74 1.351(13) . ?
C69 C70 1.484(14) . ?
C70 C71 1.333(13) . ?
C71 C72 1.390(12) . ?
C72 C73 1.394(12) . ?
C73 C74 1.484(13) . ?
C73 C78 1.525(13) . ?
C74 C75 1.345(13) . ?
C75 C79 1.440(13) . ?
C75 C76 1.468(13) . ?
C76 C77 1.416(12) . ?
C77 C78 1.392(12) . ?
C79 C80 1.420(12) . ?
Ni1P N3P 1.957(2) . ?
Ni1P N1P 1.957(2) . ?
Ni1P N2P 1.959(2) . ?
Ni1P N4P 1.960(2) . ?
N1P C1P 1.377(3) . ?
N1P C4P 1.379(3) . ?
N2P C9P 1.375(3) . ?
N2P C6P 1.376(3) . ?
N3P C11P 1.377(3) . ?
N3P C14P 1.378(3) . ?
N4P C19P 1.377(3) . ?
N4P C16P 1.379(3) . ?
C1P C20P 1.376(3) . ?
C1P C2P 1.449(3) . ?
C2P C3P 1.362(4) . ?
C2P C21P 1.491(3) . ?
C3P C4P 1.443(3) . ?
C3P C23P 1.496(4) . ?
C4P C5P 1.372(3) . ?
C5P C6P 1.372(3) . ?
C6P C7P 1.442(3) . ?
C7P C8P 1.360(4) . ?
C7P C25P 1.497(4) . ?
C8P C9P 1.438(3) . ?
C8P C27P 1.495(3) . ?
C9P C10P 1.374(3) . ?
C10P C11P 1.378(4) . ?
C11P C12P 1.443(3) . ?
C12P C13P 1.368(4) . ?
C12P C29P 1.492(4) . ?
C13P C14P 1.441(3) . ?
C13P C31P 1.502(4) . ?
C14P C15P 1.379(4) . ?
C15P C16P 1.367(4) . ?
C16P C17P 1.452(3) . ?
C17P C18P 1.340(4) . ?
C17P C33P 1.502(4) . ?
C18P C19P 1.446(3) . ?
C18P C35P 1.500(4) . ?
C19P C20P 1.367(4) . ?
C21P C22P 1.527(5) . ?
C23P C24P 1.536(6) . ?
C25P C26P 1.524(5) . ?
C27P C28P 1.537(5) . ?
C29P C30P 1.550(6) . ?
C31P C32P 1.534(7) . ?
C33P C34P 1.508(6) . ?
C35P C36P 1.521(5) . ?
C1S C6S 1.334(7) . ?
C1S C2S 1.368(7) . ?
C2S C3S 1.342(8) . ?
C3S C4S 1.389(9) . ?
C4S C5S 1.400(9) . ?
C5S C6S 1.413(8) . ?
C7S C8S 1.3900 . ?
C7S C12S 1.3900 . ?
C8S C9S 1.3900 . ?
C9S C10S 1.3900 . ?
C10S C11S 1.3900 . ?
C11S C12S 1.3900 . ?

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
Sc9 Sc1 Sc4 145.5(11) . . ?
Sc9 Sc1 Sc13 37.6(8) . . ?
Sc4 Sc1 Sc13 142.3(10) . . ?
Sc9 Sc1 Sc14 20.4(7) . . ?
Sc4 Sc1 Sc14 135.8(9) . . ?
Sc13 Sc1 Sc14 25.1(8) . . ?
Sc9 Sc1 Sc18 63.7(10) . . ?
Sc4 Sc1 Sc18 119.3(10) . . ?
Sc13 Sc1 Sc18 27.1(8) . . ?
Sc14 Sc1 Sc18 46.8(8) . . ?
Sc9 Sc1 Sc15 45.0(9) . . ?
Sc4 Sc1 Sc15 102.5(10) . . ?
Sc13 Sc1 Sc15 75.9(10) . . ?
Sc14 Sc1 Sc15 50.9(9) . . ?
Sc18 Sc1 Sc15 94.4(8) . . ?
Sc9 Sc1 Sc16 118.5(10) . . ?
Sc4 Sc1 Sc16 27.5(11) . . ?
Sc13 Sc1 Sc16 130.7(8) . . ?
Sc14 Sc1 Sc16 113.4(9) . . ?
Sc18 Sc1 Sc16 119.8(7) . . ?
Sc15 Sc1 Sc16 75.1(9) . . ?
Sc9 Sc1 Sc17 79.4(9) . . ?
Sc4 Sc1 Sc17 67.7(11) . . ?
Sc13 Sc1 Sc17 104.3(8) . . ?
Sc14 Sc1 Sc17 80.4(9) . . ?
Sc18 Sc1 Sc17 112.3(6) . . ?
Sc15 Sc1 Sc17 34.9(8) . . ?
Sc16 Sc1 Sc17 40.4(9) . . ?
Sc9 Sc1 Sc3 107.5(6) . . ?
Sc4 Sc1 Sc3 38.0(8) . . ?
Sc13 Sc1 Sc3 118.6(4) . . ?
Sc14 Sc1 Sc3 101.1(6) . . ?
Sc18 Sc1 Sc3 110.8(5) . . ?
Sc15 Sc1 Sc3 65.9(6) . . ?
Sc16 Sc1 Sc3 12.4(7) . . ?
Sc17 Sc1 Sc3 32.5(6) . . ?
Sc9 Sc1 Sc7 90.7(7) . . ?
Sc4 Sc1 Sc7 55.2(9) . . ?
Sc13 Sc1 Sc7 108.9(5) . . ?
Sc14 Sc1 Sc7 87.5(6) . . ?
Sc18 Sc1 Sc7 109.7(4) . . ?
Sc15 Sc1 Sc7 47.9(6) . . ?
Sc16 Sc1 Sc7 27.8(8) . . ?
Sc17 Sc1 Sc7 14.9(6) . . ?
Sc3 Sc1 Sc7 18.1(3) . . ?
Sc9 Sc1 Sc12 105.0(5) . . ?
Sc4 Sc1 Sc12 41.7(8) . . ?
Sc13 Sc1 Sc12 108.2(4) . . ?
Sc14 Sc1 Sc12 94.4(5) . . ?
Sc18 Sc1 Sc12 97.4(4) . . ?
Sc15 Sc1 Sc12 68.9(5) . . ?
Sc16 Sc1 Sc12 23.1(6) . . ?
Sc17 Sc1 Sc12 39.7(6) . . ?
Sc3 Sc1 Sc12 13.8(2) . . ?
Sc7 Sc1 Sc12 25.1(3) . . ?
Sc9 Sc1 Sc10 67.4(7) . . ?
Sc4 Sc1 Sc10 99.3(8) . . ?
Sc13 Sc1 Sc10 43.1(5) . . ?
Sc14 Sc1 Sc10 47.0(5) . . ?
Sc18 Sc1 Sc10 28.7(4) . . ?
Sc15 Sc1 Sc10 78.8(5) . . ?
Sc16 Sc1 Sc10 92.4(6) . . ?
Sc17 Sc1 Sc10 86.1(5) . . ?
Sc3 Sc1 Sc10 82.4(3) . . ?
Sc7 Sc1 Sc10 81.4(3) . . ?
Sc12 Sc1 Sc10 69.4(3) . . ?
Sc19 Sc2 Sc6 145.7(14) . . ?
Sc19 Sc2 Sc8 125.6(15) . . ?
Sc6 Sc2 Sc8 64.8(12) . . ?
Sc19 Sc2 Sc10 144.2(9) . . ?
Sc6 Sc2 Sc10 23.8(8) . . ?
Sc8 Sc2 Sc10 41.9(9) . . ?
Sc19 Sc2 Sc21 126.6(13) . . ?
Sc6 Sc2 Sc21 56.3(10) . . ?
Sc8 Sc2 Sc21 12.0(8) . . ?
Sc10 Sc2 Sc21 32.6(6) . . ?
Sc19 Sc2 Sc5 22.4(9) . . ?
Sc6 Sc2 Sc5 123.9(7) . . ?
Sc8 Sc2 Sc5 119.2(8) . . ?
Sc10 Sc2 Sc5 123.3(5) . . ?
Sc21 Sc2 Sc5 115.2(6) . . ?
Sc19 Sc2 Sc11 32.1(10) . . ?
Sc6 Sc2 Sc11 125.9(5) . . ?
Sc8 Sc2 Sc11 96.6(8) . . ?
Sc10 Sc2 Sc11 114.0(5) . . ?
Sc21 Sc2 Sc11 95.3(6) . . ?
Sc5 Sc2 Sc11 24.6(6) . . ?
Sc19 Sc2 Sc12 32.7(8) . . ?
Sc6 Sc2 Sc12 115.9(5) . . ?
Sc8 Sc2 Sc12 107.7(6) . . ?
Sc10 Sc2 Sc12 111.8(4) . . ?
Sc21 Sc2 Sc12 102.9(5) . . ?
Sc5 Sc2 Sc12 12.5(4) . . ?
Sc11 Sc2 Sc12 19.0(3) . . ?
Sc19 Sc2 Sc20 43.8(10) . . ?
Sc6 Sc2 Sc20 117.8(5) . . ?
Sc8 Sc2 Sc20 85.2(7) . . ?
Sc10 Sc2 Sc20 103.3(5) . . ?
Sc21 Sc2 Sc20 83.5(6) . . ?
Sc5 Sc2 Sc20 34.7(5) . . ?
Sc11 Sc2 Sc20 11.8(3) . . ?
Sc12 Sc2 Sc20 25.8(4) . . ?
Sc19 Sc2 Sc18 114.1(9) . . ?
Sc6 Sc2 Sc18 36.1(4) . . ?
Sc8 Sc2 Sc18 62.9(8) . . ?
Sc10 Sc2 Sc18 32.9(5) . . ?
Sc21 Sc2 Sc18 50.9(7) . . ?
Sc5 Sc2 Sc18 91.9(5) . . ?
Sc11 Sc2 Sc18 89.8(4) . . ?
Sc12 Sc2 Sc18 81.7(3) . . ?
Sc20 Sc2 Sc18 82.0(4) . . ?
Sc19 Sc2 Sc14 104.7(8) . . ?
Sc6 Sc2 Sc14 54.6(6) . . ?
Sc8 Sc2 Sc14 49.0(6) . . ?
Sc10 Sc2 Sc14 39.7(4) . . ?
Sc21 Sc2 Sc14 38.0(6) . . ?
Sc5 Sc2 Sc14 85.3(5) . . ?
Sc11 Sc2 Sc14 74.5(4) . . ?
Sc12 Sc2 Sc14 73.1(3) . . ?
Sc20 Sc2 Sc14 64.4(4) . . ?
Sc18 Sc2 Sc14 23.8(5) . . ?
Sc19 Sc2 Sc3 44.7(8) . . ?
Sc6 Sc2 Sc3 104.9(5) . . ?
Sc8 Sc2 Sc3 99.1(5) . . ?
Sc10 Sc2 Sc3 99.7(4) . . ?
Sc21 Sc2 Sc3 92.9(5) . . ?
Sc5 Sc2 Sc3 24.1(4) . . ?
Sc11 Sc2 Sc3 24.4(4) . . ?
Sc12 Sc2 Sc3 12.04(19) . . ?
Sc20 Sc2 Sc3 25.6(3) . . ?
Sc18 Sc2 Sc3 70.0(3) . . ?
Sc14 Sc2 Sc3 61.3(3) . . ?
Sc16 Sc3 Sc7 106(2) . . ?
Sc16 Sc3 Sc12 132(2) . . ?
Sc7 Sc3 Sc12 106.0(18) . . ?
Sc16 Sc3 Sc17 80(2) . . ?
Sc7 Sc3 Sc17 26.6(11) . . ?
Sc12 Sc3 Sc17 123.3(16) . . ?
Sc16 Sc3 Sc20 139.9(19) . . ?
Sc7 Sc3 Sc20 45.9(11) . . ?
Sc12 Sc3 Sc20 60.1(13) . . ?
Sc17 Sc3 Sc20 66.9(12) . . ?
Sc16 Sc3 Sc11 145.8(15) . . ?
Sc7 Sc3 Sc11 71.6(13) . . ?
Sc12 Sc3 Sc11 34.4(10) . . ?
Sc17 Sc3 Sc11 90.8(12) . . ?
Sc20 Sc3 Sc11 25.7(6) . . ?
Sc16 Sc3 Sc5 120.7(18) . . ?
Sc7 Sc3 Sc5 108.9(15) . . ?
Sc12 Sc3 Sc5 13.0(7) . . ?
Sc17 Sc3 Sc5 120.6(12) . . ?
Sc20 Sc3 Sc5 64.3(10) . . ?
Sc11 Sc3 Sc5 39.3(9) . . ?
Sc16 Sc3 Sc4 24.7(14) . . ?
Sc7 Sc3 Sc4 95.2(11) . . ?
Sc12 Sc3 Sc4 119.0(9) . . ?
Sc17 Sc3 Sc4 69.3(9) . . ?
Sc20 Sc3 Sc4 117.0(7) . . ?
Sc11 Sc3 Sc4 121.7(6) . . ?
Sc5 Sc3 Sc4 106.0(7) . . ?
Sc16 Sc3 Sc15 70.2(18) . . ?
Sc7 Sc3 Sc15 42.1(9) . . ?
Sc12 Sc3 Sc15 117.0(10) . . ?
Sc17 Sc3 Sc15 19.6(7) . . ?
Sc20 Sc3 Sc15 71.2(8) . . ?
Sc11 Sc3 Sc15 90.5(8) . . ?
Sc5 Sc3 Sc15 110.2(7) . . ?
Sc4 Sc3 Sc15 53.7(7) . . ?
Sc16 Sc3 Sc1 36.5(15) . . ?
Sc7 Sc3 Sc1 82.0(9) . . ?
Sc12 Sc3 Sc1 118.2(6) . . ?
Sc17 Sc3 Sc1 56.9(8) . . ?
Sc20 Sc3 Sc1 103.8(6) . . ?
Sc11 Sc3 Sc1 112.2(5) . . ?
Sc5 Sc3 Sc1 105.6(5) . . ?
Sc4 Sc3 Sc1 14.1(5) . . ?
Sc15 Sc3 Sc1 40.1(5) . . ?
Sc16 Sc3 Sc19 111.6(15) . . ?
Sc7 Sc3 Sc19 94.3(11) . . ?
Sc12 Sc3 Sc19 32.3(6) . . ?
Sc17 Sc3 Sc19 100.0(9) . . ?
Sc20 Sc3 Sc19 56.1(7) . . ?
Sc11 Sc3 Sc19 37.4(7) . . ?
Sc5 Sc3 Sc19 22.4(5) . . ?
Sc4 Sc3 Sc19 91.1(5) . . ?
Sc15 Sc3 Sc19 88.0(5) . . ?
Sc1 Sc3 Sc19 87.1(4) . . ?
Sc16 Sc3 Sc9 50.0(16) . . ?
Sc7 Sc3 Sc9 68.6(8) . . ?
Sc12 Sc3 Sc9 115.2(7) . . ?
Sc17 Sc3 Sc9 44.9(7) . . ?
Sc20 Sc3 Sc9 89.9(6) . . ?
Sc11 Sc3 Sc9 101.5(5) . . ?
Sc5 Sc3 Sc9 103.9(5) . . ?
Sc4 Sc3 Sc9 28.7(5) . . ?
Sc15 Sc3 Sc9 26.5(5) . . ?
Sc1 Sc3 Sc9 14.59(16) . . ?
Sc19 Sc3 Sc9 82.9(4) . . ?
Sc1 Sc4 Sc16 137.1(17) . . ?
Sc1 Sc4 Sc9 16.9(6) . . ?
Sc16 Sc4 Sc9 120.5(13) . . ?
Sc1 Sc4 Sc13 22.2(7) . . ?
Sc16 Sc4 Sc13 129.2(13) . . ?
Sc9 Sc4 Sc13 21.5(5) . . ?
Sc1 Sc4 Sc17 90.7(13) . . ?
Sc16 Sc4 Sc17 46.6(12) . . ?
Sc9 Sc4 Sc17 74.7(9) . . ?
Sc13 Sc4 Sc17 88.6(9) . . ?
Sc1 Sc4 Sc3 127.9(12) . . ?
Sc16 Sc4 Sc3 12.9(9) . . ?
Sc9 Sc4 Sc3 111.0(8) . . ?
Sc13 Sc4 Sc3 117.0(7) . . ?
Sc17 Sc4 Sc3 40.4(7) . . ?
Sc1 Sc4 Sc15 55.2(10) . . ?
Sc16 Sc4 Sc15 81.9(12) . . ?
Sc9 Sc4 Sc15 39.3(7) . . ?
Sc13 Sc4 Sc15 55.6(8) . . ?
Sc17 Sc4 Sc15 35.5(8) . . ?
Sc3 Sc4 Sc15 74.1(7) . . ?
Sc1 Sc4 Sc18 42.0(8) . . ?
Sc16 Sc4 Sc18 128.0(11) . . ?
Sc9 Sc4 Sc18 43.4(6) . . ?
Sc13 Sc4 Sc18 22.1(5) . . ?
Sc17 Sc4 Sc18 99.8(9) . . ?
Sc3 Sc4 Sc18 115.2(6) . . ?
Sc15 Sc4 Sc18 72.2(8) . . ?
Sc1 Sc4 Sc7 107.8(11) . . ?
Sc16 Sc4 Sc7 29.5(11) . . ?
Sc9 Sc4 Sc7 91.1(7) . . ?
Sc13 Sc4 Sc7 101.1(7) . . ?
Sc17 Sc4 Sc7 19.4(6) . . ?
Sc3 Sc4 Sc7 21.2(3) . . ?
Sc15 Sc4 Sc7 53.1(6) . . ?
Sc18 Sc4 Sc7 106.2(6) . . ?
Sc1 Sc4 Sc14 30.2(8) . . ?
Sc16 Sc4 Sc14 112.3(13) . . ?
Sc9 Sc4 Sc14 17.2(4) . . ?
Sc13 Sc4 Sc14 18.0(5) . . ?
Sc17 Sc4 Sc14 70.6(9) . . ?
Sc3 Sc4 Sc14 100.8(7) . . ?
Sc15 Sc4 Sc14 38.6(7) . . ?
Sc18 Sc4 Sc14 34.2(7) . . ?
Sc7 Sc4 Sc14 83.5(6) . . ?
Sc1 Sc4 Sc12 126.1(10) . . ?
Sc16 Sc4 Sc12 26.7(8) . . ?
Sc9 Sc4 Sc12 110.0(6) . . ?
Sc13 Sc4 Sc12 109.7(5) . . ?
Sc17 Sc4 Sc12 49.9(6) . . ?
Sc3 Sc4 Sc12 16.6(3) . . ?
Sc15 Sc4 Sc12 78.6(6) . . ?
Sc18 Sc4 Sc12 102.6(5) . . ?
Sc7 Sc4 Sc12 31.2(3) . . ?
Sc14 Sc4 Sc12 96.3(5) . . ?
Sc1 Sc4 Sc5 121.5(10) . . ?
Sc16 Sc4 Sc5 41.2(9) . . ?
Sc9 Sc4 Sc5 107.6(6) . . ?
Sc13 Sc4 Sc5 101.7(5) . . ?
Sc17 Sc4 Sc5 60.6(7) . . ?
Sc3 Sc4 Sc5 31.8(5) . . ?
Sc15 Sc4 Sc5 83.5(6) . . ?
Sc18 Sc4 Sc5 90.6(5) . . ?
Sc7 Sc4 Sc5 43.7(4) . . ?
Sc14 Sc4 Sc5 91.6(5) . . ?
Sc12 Sc4 Sc5 15.2(3) . . ?
Sc12 Sc5 Sc11 57.0(13) . . ?
Sc12 Sc5 Sc19 140.5(15) . . ?
Sc11 Sc5 Sc19 95.4(16) . . ?
Sc12 Sc5 Sc3 13.3(8) . . ?
Sc11 Sc5 Sc3 63.0(12) . . ?
Sc19 Sc5 Sc3 132.8(9) . . ?
Sc12 Sc5 Sc20 48.9(13) . . ?
Sc11 Sc5 Sc20 12.3(8) . . ?
Sc19 Sc5 Sc20 98.2(12) . . ?
Sc3 Sc5 Sc20 52.8(8) . . ?
Sc12 Sc5 Sc7 23.8(9) . . ?
Sc11 Sc5 Sc7 42.1(10) . . ?
Sc19 Sc5 Sc7 116.8(9) . . ?
Sc3 Sc5 Sc7 22.6(5) . . ?
Sc20 Sc5 Sc7 30.8(6) . . ?
Sc12 Sc5 Sc16 30.7(11) . . ?
Sc11 Sc5 Sc16 77.6(14) . . ?
Sc19 Sc5 Sc16 125.1(9) . . ?
Sc3 Sc5 Sc16 17.9(7) . . ?
Sc20 Sc5 Sc16 66.2(10) . . ?
Sc7 Sc5 Sc16 35.5(8) . . ?
Sc12 Sc5 Sc2 132.4(11) . . ?
Sc11 Sc5 Sc2 96.0(12) . . ?
Sc19 Sc5 Sc2 11.8(5) . . ?
Sc3 Sc5 Sc2 122.9(6) . . ?
Sc20 Sc5 Sc2 96.3(8) . . ?
Sc7 Sc5 Sc2 109.8(6) . . ?
Sc16 Sc5 Sc2 113.7(6) . . ?
Sc12 Sc5 Sc17 33.5(9) . . ?
Sc11 Sc5 Sc17 46.4(10) . . ?
Sc19 Sc5 Sc17 107.2(9) . . ?
Sc3 Sc5 Sc17 27.5(7) . . ?
Sc20 Sc5 Sc17 34.1(7) . . ?
Sc7 Sc5 Sc17 12.1(3) . . ?
Sc16 Sc5 Sc17 34.2(9) . . ?
Sc2 Sc5 Sc17 99.0(6) . . ?
Sc12 Sc5 Sc6 122.0(9) . . ?
Sc11 Sc5 Sc6 99.4(10) . . ?
Sc19 Sc5 Sc6 27.5(6) . . ?
Sc3 Sc5 Sc6 110.6(5) . . ?
Sc20 Sc5 Sc6 96.4(6) . . ?
Sc7 Sc5 Sc6 101.9(5) . . ?
Sc16 Sc5 Sc6 99.1(6) . . ?
Sc2 Sc5 Sc6 15.8(2) . . ?
Sc17 Sc5 Sc6 90.2(5) . . ?
Sc12 Sc5 Sc8 113.6(11) . . ?
Sc11 Sc5 Sc8 77.8(11) . . ?
Sc19 Sc5 Sc8 27.0(6) . . ?
Sc3 Sc5 Sc8 106.0(6) . . ?
Sc20 Sc5 Sc8 76.7(7) . . ?
Sc7 Sc5 Sc8 90.3(5) . . ?
Sc16 Sc5 Sc8 100.9(7) . . ?
Sc2 Sc5 Sc8 20.2(3) . . ?
Sc17 Sc5 Sc8 80.2(6) . . ?
Sc6 Sc5 Sc8 22.6(4) . . ?
Sc12 Sc5 Sc4 55.5(10) . . ?
Sc11 Sc5 Sc4 88.3(10) . . ?
Sc19 Sc5 Sc4 100.8(7) . . ?
Sc3 Sc5 Sc4 42.1(5) . . ?
Sc20 Sc5 Sc4 76.0(7) . . ?
Sc7 Sc5 Sc4 50.7(5) . . ?
Sc16 Sc5 Sc4 26.2(6) . . ?
Sc2 Sc5 Sc4 89.0(5) . . ?
Sc17 Sc5 Sc4 42.5(5) . . ?
Sc6 Sc5 Sc4 73.8(4) . . ?
Sc8 Sc5 Sc4 79.9(5) . . ?
Sc10 Sc6 Sc2 126.1(17) . . ?
Sc10 Sc6 Sc8 59.6(15) . . ?
Sc2 Sc6 Sc8 67.8(12) . . ?
Sc10 Sc6 Sc21 34.6(12) . . ?
Sc2 Sc6 Sc21 91.7(11) . . ?
Sc8 Sc6 Sc21 25.7(8) . . ?
Sc10 Sc6 Sc19 128.3(13) . . ?
Sc2 Sc6 Sc19 15.9(7) . . ?
Sc8 Sc6 Sc19 75.6(12) . . ?
Sc21 Sc6 Sc19 96.3(10) . . ?
Sc10 Sc6 Sc18 50.1(11) . . ?
Sc2 Sc6 Sc18 130.2(6) . . ?
Sc8 Sc6 Sc18 95.5(10) . . ?
Sc21 Sc6 Sc18 72.3(9) . . ?
Sc19 Sc6 Sc18 117.2(6) . . ?
Sc10 Sc6 Sc5 120.6(9) . . ?
Sc2 Sc6 Sc5 40.3(6) . . ?
Sc8 Sc6 Sc5 85.0(10) . . ?
Sc21 Sc6 Sc5 97.6(8) . . ?
Sc19 Sc6 Sc5 24.6(6) . . ?
Sc18 Sc6 Sc5 94.1(5) . . ?
Sc10 Sc6 Sc13 50.0(9) . . ?
Sc2 Sc6 Sc13 117.7(5) . . ?
Sc8 Sc6 Sc13 85.5(8) . . ?
Sc21 Sc6 Sc13 64.8(7) . . ?
Sc19 Sc6 Sc13 106.0(5) . . ?
Sc18 Sc6 Sc13 13.4(4) . . ?
Sc5 Sc6 Sc13 84.3(4) . . ?
Sc10 Sc6 Sc14 40.8(8) . . ?
Sc2 Sc6 Sc14 110.5(6) . . ?
Sc8 Sc6 Sc14 69.6(8) . . ?
Sc21 Sc6 Sc14 49.1(8) . . ?
Sc19 Sc6 Sc14 102.2(6) . . ?
Sc18 Sc6 Sc14 26.9(6) . . ?
Sc5 Sc6 Sc14 84.6(4) . . ?
Sc13 Sc6 Sc14 16.0(4) . . ?
Sc10 Sc6 Sc11 103.9(9) . . ?
Sc2 Sc6 Sc11 40.4(4) . . ?
Sc8 Sc6 Sc11 66.6(9) . . ?
Sc21 Sc6 Sc11 78.3(7) . . ?
Sc19 Sc6 Sc11 29.2(5) . . ?
Sc18 Sc6 Sc11 89.7(4) . . ?
Sc5 Sc6 Sc11 19.3(4) . . ?
Sc13 Sc6 Sc11 77.6(3) . . ?
Sc14 Sc6 Sc11 73.1(4) . . ?
Sc10 Sc6 Sc12 109.4(8) . . ?
Sc2 Sc6 Sc12 49.7(5) . . ?
Sc8 Sc6 Sc12 81.8(8) . . ?
Sc21 Sc6 Sc12 90.0(6) . . ?
Sc19 Sc6 Sc12 34.9(5) . . ?
Sc18 Sc6 Sc12 82.6(4) . . ?
Sc5 Sc6 Sc12 12.2(3) . . ?
Sc13 Sc6 Sc12 72.3(3) . . ?
Sc14 Sc6 Sc12 72.4(3) . . ?
Sc11 Sc6 Sc12 16.1(3) . . ?
Sc10 Sc6 Sc9 56.2(8) . . ?
Sc2 Sc6 Sc9 107.3(4) . . ?
Sc8 Sc6 Sc9 81.9(6) . . ?
Sc21 Sc6 Sc9 64.3(7) . . ?
Sc19 Sc6 Sc9 95.6(5) . . ?
Sc18 Sc6 Sc9 23.2(3) . . ?
Sc5 Sc6 Sc9 74.3(4) . . ?
Sc13 Sc6 Sc9 10.44(18) . . ?
Sc14 Sc6 Sc9 16.5(4) . . ?
Sc11 Sc6 Sc9 67.1(3) . . ?
Sc12 Sc6 Sc9 62.2(2) . . ?
Sc17 Sc7 Sc3 125(2) . . ?
Sc17 Sc7 Sc20 119(2) . . ?
Sc3 Sc7 Sc20 99.7(15) . . ?
Sc17 Sc7 Sc16 90(2) . . ?
Sc3 Sc7 Sc16 34.7(11) . . ?
Sc20 Sc7 Sc16 127.0(14) . . ?
Sc17 Sc7 Sc12 143.3(14) . . ?
Sc3 Sc7 Sc12 37.3(10) . . ?
Sc20 Sc7 Sc12 62.3(11) . . ?
Sc16 Sc7 Sc12 68.2(11) . . ?
Sc17 Sc7 Sc11 134.3(16) . . ?
Sc3 Sc7 Sc11 75.4(13) . . ?
Sc20 Sc7 Sc11 24.3(9) . . ?
Sc16 Sc7 Sc11 103.9(13) . . ?
Sc12 Sc7 Sc11 38.1(6) . . ?
Sc17 Sc7 Sc15 18.5(12) . . ?
Sc3 Sc7 Sc15 121.4(11) . . ?
Sc20 Sc7 Sc15 104.6(10) . . ?
Sc16 Sc7 Sc15 90.9(11) . . ?
Sc12 Sc7 Sc15 128.0(6) . . ?
Sc11 Sc7 Sc15 116.5(7) . . ?
Sc17 Sc7 Sc5 134.2(12) . . ?
Sc3 Sc7 Sc5 48.5(12) . . ?
Sc20 Sc7 Sc5 52.8(10) . . ?
Sc16 Sc7 Sc5 74.8(11) . . ?
Sc12 Sc7 Sc5 14.4(6) . . ?
Sc11 Sc7 Sc5 29.1(8) . . ?
Sc15 Sc7 Sc5 116.9(6) . . ?
Sc17 Sc7 Sc4 62.1(17) . . ?
Sc3 Sc7 Sc4 63.6(10) . . ?
Sc20 Sc7 Sc4 123.9(7) . . ?
Sc16 Sc7 Sc4 33.2(9) . . ?
Sc12 Sc7 Sc4 86.3(7) . . ?
Sc11 Sc7 Sc4 110.1(7) . . ?
Sc15 Sc7 Sc4 58.5(7) . . ?
Sc5 Sc7 Sc4 85.6(6) . . ?
Sc17 Sc7 Sc1 47.6(16) . . ?
Sc3 Sc7 Sc1 79.9(9) . . ?
Sc20 Sc7 Sc1 119.1(5) . . ?
Sc16 Sc7 Sc1 50.1(9) . . ?
Sc12 Sc7 Sc1 97.6(6) . . ?
Sc11 Sc7 Sc1 112.5(5) . . ?
Sc15 Sc7 Sc1 41.7(6) . . ?
Sc5 Sc7 Sc1 93.5(5) . . ?
Sc4 Sc7 Sc1 17.0(4) . . ?
Sc17 Sc7 Sc9 36.4(13) . . ?
Sc3 Sc7 Sc9 95.2(9) . . ?
Sc20 Sc7 Sc9 110.9(6) . . ?
Sc16 Sc7 Sc9 66.5(9) . . ?
Sc12 Sc7 Sc9 107.0(5) . . ?
Sc11 Sc7 Sc9 111.4(4) . . ?
Sc15 Sc7 Sc9 26.2(6) . . ?
Sc5 Sc7 Sc9 99.5(4) . . ?
Sc4 Sc7 Sc9 33.4(5) . . ?
Sc1 Sc7 Sc9 16.41(16) . . ?
Sc17 Sc7 Sc19 112.5(12) . . ?
Sc3 Sc7 Sc19 69.7(10) . . ?
Sc20 Sc7 Sc19 43.2(8) . . ?
Sc16 Sc7 Sc19 86.2(9) . . ?
Sc12 Sc7 Sc19 40.1(5) . . ?
Sc11 Sc7 Sc19 29.3(5) . . ?
Sc15 Sc7 Sc19 94.1(5) . . ?
Sc5 Sc7 Sc19 25.8(5) . . ?
Sc4 Sc7 Sc19 82.5(5) . . ?
Sc1 Sc7 Sc19 83.2(4) . . ?
Sc9 Sc7 Sc19 83.1(4) . . ?
Sc21 Sc8 Sc10 66(2) . . ?
Sc21 Sc8 Sc6 105(3) . . ?
Sc10 Sc8 Sc6 40.1(9) . . ?
Sc21 Sc8 Sc2 146(3) . . ?
Sc10 Sc8 Sc2 86.8(15) . . ?
Sc6 Sc8 Sc2 47.4(9) . . ?
Sc21 Sc8 Sc19 143.6(18) . . ?
Sc10 Sc8 Sc19 101.9(15) . . ?
Sc6 Sc8 Sc19 65.5(12) . . ?
Sc2 Sc8 Sc19 21.8(7) . . ?
Sc21 Sc8 Sc18 52(2) . . ?
Sc10 Sc8 Sc18 33.4(7) . . ?
Sc6 Sc8 Sc18 59.4(8) . . ?
Sc2 Sc8 Sc18 94.2(9) . . ?
Sc19 Sc8 Sc18 98.1(8) . . ?
Sc21 Sc8 Sc14 37.2(16) . . ?
Sc10 Sc8 Sc14 60.4(9) . . ?
Sc6 Sc8 Sc14 87.7(9) . . ?
Sc2 Sc8 Sc14 112.4(8) . . ?
Sc19 Sc8 Sc14 106.4(7) . . ?
Sc18 Sc8 Sc14 29.2(6) . . ?
Sc21 Sc8 Sc11 111.5(16) . . ?
Sc10 Sc8 Sc11 113.0(10) . . ?
Sc6 Sc8 Sc11 92.4(10) . . ?
Sc2 Sc8 Sc11 60.0(8) . . ?
Sc19 Sc8 Sc11 39.2(7) . . ?
Sc18 Sc8 Sc11 89.0(5) . . ?
Sc14 Sc8 Sc11 79.9(5) . . ?
Sc21 Sc8 Sc5 121.9(16) . . ?
Sc10 Sc8 Sc5 99.4(12) . . ?
Sc6 Sc8 Sc5 72.4(10) . . ?
Sc2 Sc8 Sc5 40.6(6) . . ?
Sc19 Sc8 Sc5 22.6(5) . . ?
Sc18 Sc8 Sc5 84.1(5) . . ?
Sc14 Sc8 Sc5 85.5(5) . . ?
Sc11 Sc8 Sc5 20.9(5) . . ?
Sc21 Sc8 Sc20 99.9(16) . . ?
Sc10 Sc8 Sc20 113.6(9) . . ?
Sc6 Sc8 Sc20 100.6(9) . . ?
Sc2 Sc8 Sc20 72.3(8) . . ?
Sc19 Sc8 Sc20 51.8(7) . . ?
Sc18 Sc8 Sc20 85.0(4) . . ?
Sc14 Sc8 Sc20 71.0(5) . . ?
Sc11 Sc8 Sc20 12.6(3) . . ?
Sc5 Sc8 Sc20 32.2(5) . . ?
Sc21 Sc8 Sc13 47.1(18) . . ?
Sc10 Sc8 Sc13 48.8(7) . . ?
Sc6 Sc8 Sc13 72.7(8) . . ?
Sc2 Sc8 Sc13 100.0(8) . . ?
Sc19 Sc8 Sc13 98.2(6) . . ?
Sc18 Sc8 Sc13 15.6(4) . . ?
Sc14 Sc8 Sc13 15.0(4) . . ?
Sc11 Sc8 Sc13 79.7(4) . . ?
Sc5 Sc8 Sc13 79.9(4) . . ?
Sc20 Sc8 Sc13 73.4(4) . . ?
Sc21 Sc8 Sc15 56.4(15) . . ?
Sc10 Sc8 Sc15 82.5(8) . . ?
Sc6 Sc8 Sc15 98.0(7) . . ?
Sc2 Sc8 Sc15 102.6(7) . . ?
Sc19 Sc8 Sc15 88.9(6) . . ?
Sc18 Sc8 Sc15 49.1(5) . . ?
Sc14 Sc8 Sc15 26.1(5) . . ?
Sc11 Sc8 Sc15 55.7(4) . . ?
Sc5 Sc8 Sc15 66.3(5) . . ?
Sc20 Sc8 Sc15 45.5(4) . . ?
Sc13 Sc8 Sc15 33.8(4) . . ?
Sc13 Sc9 Sc1 100.5(16) . . ?
Sc13 Sc9 Sc14 53.5(13) . . ?
Sc1 Sc9 Sc14 143.5(11) . . ?
Sc13 Sc9 Sc15 128.0(14) . . ?
Sc1 Sc9 Sc15 110.5(12) . . ?
Sc14 Sc9 Sc15 77.9(14) . . ?
Sc13 Sc9 Sc18 15.0(10) . . ?
Sc1 Sc9 Sc18 88.8(10) . . ?
Sc14 Sc9 Sc18 60.3(13) . . ?
Sc15 Sc9 Sc18 125.8(8) . . ?
Sc13 Sc9 Sc4 107.0(14) . . ?
Sc1 Sc9 Sc4 17.6(5) . . ?
Sc14 Sc9 Sc4 135.7(8) . . ?
Sc15 Sc9 Sc4 94.3(10) . . ?
Sc18 Sc9 Sc4 93.1(8) . . ?
Sc13 Sc9 Sc17 131.8(8) . . ?
Sc1 Sc9 Sc17 80.2(9) . . ?
Sc14 Sc9 Sc17 98.5(12) . . ?
Sc15 Sc9 Sc17 31.0(10) . . ?
Sc18 Sc9 Sc17 120.8(6) . . ?
Sc4 Sc9 Sc17 63.4(8) . . ?
Sc13 Sc9 Sc16 119.2(11) . . ?
Sc1 Sc9 Sc16 45.8(8) . . ?
Sc14 Sc9 Sc16 119.4(9) . . ?
Sc15 Sc9 Sc16 66.4(10) . . ?
Sc18 Sc9 Sc16 104.2(7) . . ?
Sc4 Sc9 Sc16 28.4(7) . . ?
Sc17 Sc9 Sc16 35.5(9) . . ?
Sc13 Sc9 Sc7 122.7(7) . . ?
Sc1 Sc9 Sc7 72.9(6) . . ?
Sc14 Sc9 Sc7 98.5(9) . . ?
Sc15 Sc9 Sc7 40.8(7) . . ?
Sc18 Sc9 Sc7 110.4(4) . . ?
Sc4 Sc9 Sc7 55.5(5) . . ?
Sc17 Sc9 Sc7 12.0(5) . . ?
Sc16 Sc9 Sc7 27.1(7) . . ?
Sc13 Sc9 Sc3 116.2(8) . . ?
Sc1 Sc9 Sc3 57.9(6) . . ?
Sc14 Sc9 Sc3 107.0(8) . . ?
Sc15 Sc9 Sc3 57.0(7) . . ?
Sc18 Sc9 Sc3 102.1(5) . . ?
Sc4 Sc9 Sc3 40.4(5) . . ?
Sc17 Sc9 Sc3 26.9(6) . . ?
Sc16 Sc9 Sc3 13.0(6) . . ?
Sc7 Sc9 Sc3 16.2(3) . . ?
Sc13 Sc9 Sc10 40.2(6) . . ?
Sc1 Sc9 Sc10 98.5(7) . . ?
Sc14 Sc9 Sc10 45.0(8) . . ?
Sc15 Sc9 Sc10 93.3(6) . . ?
Sc18 Sc9 Sc10 32.7(5) . . ?
Sc4 Sc9 Sc10 93.0(5) . . ?
Sc17 Sc9 Sc10 91.7(5) . . ?
Sc16 Sc9 Sc10 88.8(5) . . ?
Sc7 Sc9 Sc10 83.4(3) . . ?
Sc3 Sc9 Sc10 81.0(3) . . ?
Sc13 Sc9 Sc21 51.8(9) . . ?
Sc1 Sc9 Sc21 111.9(7) . . ?
Sc14 Sc9 Sc21 33.1(8) . . ?
Sc15 Sc9 Sc21 77.7(7) . . ?
Sc18 Sc9 Sc21 48.3(6) . . ?
Sc4 Sc9 Sc21 102.6(6) . . ?
Sc17 Sc9 Sc21 82.8(6) . . ?
Sc16 Sc9 Sc21 90.5(6) . . ?
Sc7 Sc9 Sc21 77.3(4) . . ?
Sc3 Sc9 Sc21 79.8(4) . . ?
Sc10 Sc9 Sc21 17.8(4) . . ?
Sc6 Sc10 Sc21 119(2) . . ?
Sc6 Sc10 Sc8 80.4(16) . . ?
Sc21 Sc10 Sc8 39.3(11) . . ?
Sc6 Sc10 Sc2 30.1(9) . . ?
Sc21 Sc10 Sc2 88.8(15) . . ?
Sc8 Sc10 Sc2 51.3(12) . . ?
Sc6 Sc10 Sc18 112.6(14) . . ?
Sc21 Sc10 Sc18 103.5(14) . . ?
Sc8 Sc10 Sc18 130.0(9) . . ?
Sc2 Sc10 Sc18 122.1(7) . . ?
Sc6 Sc10 Sc19 36.2(10) . . ?
Sc21 Sc10 Sc19 85.5(14) . . ?
Sc8 Sc10 Sc19 51.7(12) . . ?
Sc2 Sc10 Sc19 12.4(3) . . ?
Sc18 Sc10 Sc19 111.4(6) . . ?
Sc6 Sc10 Sc14 127.7(10) . . ?
Sc21 Sc10 Sc14 69.4(13) . . ?
Sc8 Sc10 Sc14 98.6(10) . . ?
Sc2 Sc10 Sc14 117.2(5) . . ?
Sc18 Sc10 Sc14 34.3(7) . . ?
Sc19 Sc10 Sc14 104.9(5) . . ?
Sc6 Sc10 Sc13 116.9(11) . . ?
Sc21 Sc10 Sc13 88.1(12) . . ?
Sc8 Sc10 Sc13 113.9(8) . . ?
Sc2 Sc10 Sc13 117.0(4) . . ?
Sc18 Sc10 Sc13 16.4(5) . . ?
Sc19 Sc10 Sc13 104.9(5) . . ?
Sc14 Sc10 Sc13 18.9(5) . . ?
Sc6 Sc10 Sc9 112.1(10) . . ?
Sc21 Sc10 Sc9 82.1(11) . . ?
Sc8 Sc10 Sc9 104.1(7) . . ?
Sc2 Sc10 Sc9 107.7(4) . . ?
Sc18 Sc10 Sc9 25.9(4) . . ?
Sc19 Sc10 Sc9 95.4(4) . . ?
Sc14 Sc10 Sc9 17.0(5) . . ?
Sc13 Sc10 Sc9 10.8(2) . . ?
Sc6 Sc10 Sc1 99.0(10) . . ?
Sc21 Sc10 Sc1 93.0(10) . . ?
Sc8 Sc10 Sc1 107.8(7) . . ?
Sc2 Sc10 Sc1 99.1(4) . . ?
Sc18 Sc10 Sc1 25.7(4) . . ?
Sc19 Sc10 Sc1 87.4(4) . . ?
Sc14 Sc10 Sc1 31.1(5) . . ?
Sc13 Sc10 Sc1 18.6(3) . . ?
Sc9 Sc10 Sc1 14.07(14) . . ?
Sc6 Sc10 Sc5 48.1(7) . . ?
Sc21 Sc10 Sc5 86.5(12) . . ?
Sc8 Sc10 Sc5 63.0(11) . . ?
Sc2 Sc10 Sc5 34.3(4) . . ?
Sc18 Sc10 Sc5 89.4(5) . . ?
Sc19 Sc10 Sc5 22.3(5) . . ?
Sc14 Sc10 Sc5 84.5(5) . . ?
Sc13 Sc10 Sc5 82.7(4) . . ?
Sc9 Sc10 Sc5 73.5(4) . . ?
Sc1 Sc10 Sc5 65.1(4) . . ?
Sc6 Sc10 Sc15 109.7(8) . . ?
Sc21 Sc10 Sc15 61.8(10) . . ?
Sc8 Sc10 Sc15 80.6(8) . . ?
Sc2 Sc10 Sc15 94.2(4) . . ?
Sc18 Sc10 Sc15 49.4(6) . . ?
Sc19 Sc10 Sc15 82.1(5) . . ?
Sc14 Sc10 Sc15 23.4(4) . . ?
Sc13 Sc10 Sc15 33.4(4) . . ?
Sc9 Sc10 Sc15 23.5(4) . . ?
Sc1 Sc10 Sc15 31.3(4) . . ?
Sc5 Sc10 Sc15 63.0(4) . . ?
Sc20 Sc11 Sc12 106(2) . . ?
Sc20 Sc11 Sc5 148(2) . . ?
Sc12 Sc11 Sc5 48.7(13) . . ?
Sc20 Sc11 Sc7 41.7(17) . . ?
Sc12 Sc11 Sc7 64.3(11) . . ?
Sc5 Sc11 Sc7 108.8(15) . . ?
Sc20 Sc11 Sc3 74.7(19) . . ?
Sc12 Sc11 Sc3 31.3(8) . . ?
Sc5 Sc11 Sc3 77.7(15) . . ?
Sc7 Sc11 Sc3 33.0(6) . . ?
Sc20 Sc11 Sc19 129.4(16) . . ?
Sc12 Sc11 Sc19 95.0(13) . . ?
Sc5 Sc11 Sc19 50.9(12) . . ?
Sc7 Sc11 Sc19 128.6(7) . . ?
Sc3 Sc11 Sc19 114.2(10) . . ?
Sc20 Sc11 Sc17 35.8(16) . . ?
Sc12 Sc11 Sc17 73.8(12) . . ?
Sc5 Sc11 Sc17 112.0(14) . . ?
Sc7 Sc11 Sc17 15.5(6) . . ?
Sc3 Sc11 Sc17 43.4(9) . . ?
Sc19 Sc11 Sc17 117.8(7) . . ?
Sc20 Sc11 Sc16 75.9(19) . . ?
Sc12 Sc11 Sc16 32.9(9) . . ?
Sc5 Sc11 Sc16 73.7(14) . . ?
Sc7 Sc11 Sc16 35.1(8) . . ?
Sc3 Sc11 Sc16 11.4(5) . . ?
Sc19 Sc11 Sc16 104.4(9) . . ?
Sc17 Sc11 Sc16 41.4(9) . . ?
Sc20 Sc11 Sc2 116.7(14) . . ?
Sc12 Sc11 Sc2 98.2(10) . . ?
Sc5 Sc11 Sc2 59.4(10) . . ?
Sc7 Sc11 Sc2 118.9(5) . . ?
Sc3 Sc11 Sc2 111.2(6) . . ?
Sc19 Sc11 Sc2 12.9(4) . . ?
Sc17 Sc11 Sc2 106.6(5) . . ?
Sc16 Sc11 Sc2 100.3(6) . . ?
Sc20 Sc11 Sc8 93.9(14) . . ?
Sc12 Sc11 Sc8 111.6(9) . . ?
Sc5 Sc11 Sc8 81.3(10) . . ?
Sc7 Sc11 Sc8 106.2(5) . . ?
Sc3 Sc11 Sc8 112.3(5) . . ?
Sc19 Sc11 Sc8 35.5(6) . . ?
Sc17 Sc11 Sc8 91.5(6) . . ?
Sc16 Sc11 Sc8 101.0(6) . . ?
Sc2 Sc11 Sc8 23.4(4) . . ?
Sc20 Sc11 Sc15 40.3(11) . . ?
Sc12 Sc11 Sc15 85.2(9) . . ?
Sc5 Sc11 Sc15 109.8(9) . . ?
Sc7 Sc11 Sc15 37.2(5) . . ?
Sc3 Sc11 Sc15 59.1(7) . . ?
Sc19 Sc11 Sc15 98.9(6) . . ?
Sc17 Sc11 Sc15 21.8(6) . . ?
Sc16 Sc11 Sc15 52.9(7) . . ?
Sc2 Sc11 Sc15 86.8(4) . . ?
Sc8 Sc11 Sc15 69.9(5) . . ?
Sc20 Sc11 Sc4 75.7(15) . . ?
Sc12 Sc11 Sc4 47.7(7) . . ?
Sc5 Sc11 Sc4 72.0(10) . . ?
Sc7 Sc11 Sc4 43.9(5) . . ?
Sc3 Sc11 Sc4 34.4(4) . . ?
Sc19 Sc11 Sc4 86.6(6) . . ?
Sc17 Sc11 Sc4 40.8(6) . . ?
Sc16 Sc11 Sc4 23.1(5) . . ?
Sc2 Sc11 Sc4 79.9(3) . . ?
Sc8 Sc11 Sc4 77.9(4) . . ?
Sc15 Sc11 Sc4 40.7(5) . . ?
Sc5 Sc12 Sc3 153.7(14) . . ?
Sc5 Sc12 Sc11 74.3(17) . . ?
Sc3 Sc12 Sc11 114.3(17) . . ?
Sc5 Sc12 Sc20 101.8(17) . . ?
Sc3 Sc12 Sc20 84.5(13) . . ?
Sc11 Sc12 Sc20 29.8(9) . . ?
Sc5 Sc12 Sc7 141.8(14) . . ?
Sc3 Sc12 Sc7 36.7(10) . . ?
Sc11 Sc12 Sc7 77.6(12) . . ?
Sc20 Sc12 Sc7 47.8(8) . . ?
Sc5 Sc12 Sc16 132.7(15) . . ?
Sc3 Sc12 Sc16 22.3(11) . . ?
Sc11 Sc12 Sc16 127.2(15) . . ?
Sc20 Sc12 Sc16 99.5(13) . . ?
Sc7 Sc12 Sc16 53.7(11) . . ?
Sc5 Sc12 Sc17 133.5(11) . . ?
Sc3 Sc12 Sc17 36.2(11) . . ?
Sc11 Sc12 Sc17 80.3(12) . . ?
Sc20 Sc12 Sc17 51.9(9) . . ?
Sc7 Sc12 Sc17 13.2(5) . . ?
Sc16 Sc12 Sc17 47.6(12) . . ?
Sc5 Sc12 Sc19 25.6(10) . . ?
Sc3 Sc12 Sc19 135.7(7) . . ?
Sc11 Sc12 Sc19 60.1(11) . . ?
Sc20 Sc12 Sc19 82.1(8) . . ?
Sc7 Sc12 Sc19 116.4(7) . . ?
Sc16 Sc12 Sc19 121.7(8) . . ?
Sc17 Sc12 Sc19 108.1(7) . . ?
Sc5 Sc12 Sc4 109.3(11) . . ?
Sc3 Sc12 Sc4 44.4(7) . . ?
Sc11 Sc12 Sc4 117.1(8) . . ?
Sc20 Sc12 Sc4 97.3(7) . . ?
Sc7 Sc12 Sc4 62.5(6) . . ?
Sc16 Sc12 Sc4 25.7(7) . . ?
Sc17 Sc12 Sc4 51.2(7) . . ?
Sc19 Sc12 Sc4 96.0(5) . . ?
Sc5 Sc12 Sc2 35.0(9) . . ?
Sc3 Sc12 Sc2 124.4(6) . . ?
Sc11 Sc12 Sc2 62.8(9) . . ?
Sc20 Sc12 Sc2 80.2(6) . . ?
Sc7 Sc12 Sc2 108.2(5) . . ?
Sc16 Sc12 Sc2 110.8(7) . . ?
Sc17 Sc12 Sc2 98.6(5) . . ?
Sc19 Sc12 Sc2 11.4(3) . . ?
Sc4 Sc12 Sc2 85.1(3) . . ?
Sc5 Sc12 Sc15 115.7(9) . . ?
Sc3 Sc12 Sc15 48.4(8) . . ?
Sc11 Sc12 Sc15 77.1(9) . . ?
Sc20 Sc12 Sc15 53.7(7) . . ?
Sc7 Sc12 Sc15 31.3(4) . . ?
Sc16 Sc12 Sc15 51.1(9) . . ?
Sc17 Sc12 Sc15 18.8(5) . . ?
Sc19 Sc12 Sc15 90.8(5) . . ?
Sc4 Sc12 Sc15 43.6(5) . . ?
Sc2 Sc12 Sc15 80.6(3) . . ?
Sc5 Sc12 Sc1 106.3(9) . . ?
Sc3 Sc12 Sc1 48.1(5) . . ?
Sc11 Sc12 Sc1 105.0(7) . . ?
Sc20 Sc12 Sc1 86.5(6) . . ?
Sc7 Sc12 Sc1 57.3(4) . . ?
Sc16 Sc12 Sc1 34.0(6) . . ?
Sc17 Sc12 Sc1 44.7(5) . . ?
Sc19 Sc12 Sc1 88.9(4) . . ?
Sc4 Sc12 Sc1 12.1(4) . . ?
Sc2 Sc12 Sc1 77.68(19) . . ?
Sc15 Sc12 Sc1 33.5(4) . . ?
Sc9 Sc13 Sc14 81(2) . . ?
Sc9 Sc13 Sc18 152.5(18) . . ?
Sc14 Sc13 Sc18 108.4(19) . . ?
Sc9 Sc13 Sc1 41.9(9) . . ?
Sc14 Sc13 Sc1 117.4(18) . . ?
Sc18 Sc13 Sc1 114.9(17) . . ?
Sc9 Sc13 Sc15 34.4(11) . . ?
Sc14 Sc13 Sc15 50.4(15) . . ?
Sc18 Sc13 Sc15 136.0(9) . . ?
Sc1 Sc13 Sc15 67.1(9) . . ?
Sc9 Sc13 Sc4 51.4(12) . . ?
Sc14 Sc13 Sc4 116.3(15) . . ?
Sc18 Sc13 Sc4 102.6(14) . . ?
Sc1 Sc13 Sc4 15.5(4) . . ?
Sc15 Sc13 Sc4 68.6(8) . . ?
Sc9 Sc13 Sc10 129.0(7) . . ?
Sc14 Sc13 Sc10 74.2(13) . . ?
Sc18 Sc13 Sc10 38.6(10) . . ?
Sc1 Sc13 Sc10 118.4(7) . . ?
Sc15 Sc13 Sc10 99.4(5) . . ?
Sc4 Sc13 Sc10 102.9(5) . . ?
Sc9 Sc13 Sc21 115.7(10) . . ?
Sc14 Sc13 Sc21 53.7(12) . . ?
Sc18 Sc13 Sc21 58.4(11) . . ?
Sc1 Sc13 Sc21 121.7(6) . . ?
Sc15 Sc13 Sc21 82.6(6) . . ?
Sc4 Sc13 Sc21 107.8(6) . . ?
Sc10 Sc13 Sc21 20.7(4) . . ?
Sc9 Sc13 Sc17 37.0(7) . . ?
Sc14 Sc13 Sc17 68.0(14) . . ?
Sc18 Sc13 Sc17 121.3(9) . . ?
Sc1 Sc13 Sc17 51.6(7) . . ?
Sc15 Sc13 Sc17 23.4(7) . . ?
Sc4 Sc13 Sc17 48.4(7) . . ?
Sc10 Sc13 Sc17 92.1(5) . . ?
Sc21 Sc13 Sc17 81.4(6) . . ?
Sc9 Sc13 Sc6 122.7(7) . . ?
Sc14 Sc13 Sc6 82.7(12) . . ?
Sc18 Sc13 Sc6 37.9(8) . . ?
Sc1 Sc13 Sc6 105.8(7) . . ?
Sc15 Sc13 Sc6 98.1(5) . . ?
Sc4 Sc13 Sc6 90.3(5) . . ?
Sc10 Sc13 Sc6 13.1(3) . . ?
Sc21 Sc13 Sc6 29.7(5) . . ?
Sc17 Sc13 Sc6 86.2(4) . . ?
Sc9 Sc13 Sc16 48.7(9) . . ?
Sc14 Sc13 Sc16 96.1(13) . . ?
Sc18 Sc13 Sc16 103.9(11) . . ?
Sc1 Sc13 Sc16 32.2(6) . . ?
Sc15 Sc13 Sc16 52.7(7) . . ?
Sc4 Sc13 Sc16 21.6(6) . . ?
Sc10 Sc13 Sc16 90.5(5) . . ?
Sc21 Sc13 Sc16 89.9(6) . . ?
Sc17 Sc13 Sc16 29.9(7) . . ?
Sc6 Sc13 Sc16 79.6(5) . . ?
Sc9 Sc13 Sc8 113.1(8) . . ?
Sc14 Sc13 Sc8 61.0(11) . . ?
Sc18 Sc13 Sc8 55.7(10) . . ?
Sc1 Sc13 Sc8 112.6(5) . . ?
Sc15 Sc13 Sc8 82.2(5) . . ?
Sc4 Sc13 Sc8 98.2(5) . . ?
Sc10 Sc13 Sc8 17.3(3) . . ?
Sc21 Sc13 Sc8 10.4(5) . . ?
Sc17 Sc13 Sc8 76.9(5) . . ?
Sc6 Sc13 Sc8 21.8(4) . . ?
Sc16 Sc13 Sc8 81.4(6) . . ?
Sc13 Sc14 Sc9 45.7(13) . . ?
Sc13 Sc14 Sc18 37.0(13) . . ?
Sc9 Sc14 Sc18 80.1(16) . . ?
Sc13 Sc14 Sc15 104.9(19) . . ?
Sc9 Sc14 Sc15 61.4(12) . . ?
Sc18 Sc14 Sc15 128.2(15) . . ?
Sc13 Sc14 Sc1 37.5(12) . . ?
Sc9 Sc14 Sc1 16.1(5) . . ?
Sc18 Sc14 Sc1 67.2(11) . . ?
Sc15 Sc14 Sc1 67.4(10) . . ?
Sc13 Sc14 Sc21 109.4(15) . . ?
Sc9 Sc14 Sc21 132.9(11) . . ?
Sc18 Sc14 Sc21 74.8(10) . . ?
Sc15 Sc14 Sc21 106.3(10) . . ?
Sc1 Sc14 Sc21 117.8(8) . . ?
Sc13 Sc14 Sc4 45.7(12) . . ?
Sc9 Sc14 Sc4 27.1(5) . . ?
Sc18 Sc14 Sc4 67.9(10) . . ?
Sc15 Sc14 Sc4 62.0(10) . . ?
Sc1 Sc14 Sc4 14.1(3) . . ?
Sc21 Sc14 Sc4 105.8(7) . . ?
Sc13 Sc14 Sc10 86.9(14) . . ?
Sc9 Sc14 Sc10 117.9(12) . . ?
Sc18 Sc14 Sc10 52.0(8) . . ?
Sc15 Sc14 Sc10 117.0(8) . . ?
Sc1 Sc14 Sc10 101.8(8) . . ?
Sc21 Sc14 Sc10 22.8(5) . . ?
Sc4 Sc14 Sc10 92.7(6) . . ?
Sc13 Sc14 Sc17 94.9(15) . . ?
Sc9 Sc14 Sc17 59.0(10) . . ?
Sc18 Sc14 Sc17 110.0(10) . . ?
Sc15 Sc14 Sc17 20.4(7) . . ?
Sc1 Sc14 Sc17 58.9(7) . . ?
Sc21 Sc14 Sc17 93.6(7) . . ?
Sc4 Sc14 Sc17 49.3(7) . . ?
Sc10 Sc14 Sc17 99.2(6) . . ?
Sc13 Sc14 Sc8 103.9(14) . . ?
Sc9 Sc14 Sc8 123.1(9) . . ?
Sc18 Sc14 Sc8 71.8(8) . . ?
Sc15 Sc14 Sc8 100.3(9) . . ?
Sc1 Sc14 Sc8 108.3(7) . . ?
Sc21 Sc14 Sc8 10.0(5) . . ?
Sc4 Sc14 Sc8 95.9(6) . . ?
Sc10 Sc14 Sc8 20.9(4) . . ?
Sc17 Sc14 Sc8 85.7(6) . . ?
Sc13 Sc14 Sc6 81.2(13) . . ?
Sc9 Sc14 Sc6 107.4(10) . . ?
Sc18 Sc14 Sc6 49.8(7) . . ?
Sc15 Sc14 Sc6 108.5(7) . . ?
Sc1 Sc14 Sc6 91.4(6) . . ?
Sc21 Sc14 Sc6 29.0(6) . . ?
Sc4 Sc14 Sc6 81.5(5) . . ?
Sc10 Sc14 Sc6 11.6(3) . . ?
Sc17 Sc14 Sc6 89.6(5) . . ?
Sc8 Sc14 Sc6 22.8(4) . . ?
Sc13 Sc14 Sc7 92.6(13) . . ?
Sc9 Sc14 Sc7 63.0(8) . . ?
Sc18 Sc14 Sc7 101.7(8) . . ?
Sc15 Sc14 Sc7 31.3(6) . . ?
Sc1 Sc14 Sc7 59.4(5) . . ?
Sc21 Sc14 Sc7 83.9(6) . . ?
Sc4 Sc14 Sc7 47.6(4) . . ?
Sc10 Sc14 Sc7 88.1(4) . . ?
Sc17 Sc14 Sc7 11.3(4) . . ?
Sc8 Sc14 Sc7 75.5(5) . . ?
Sc6 Sc14 Sc7 78.3(3) . . ?
Sc17 Sc15 Sc9 116.2(17) . . ?
Sc17 Sc15 Sc14 135.5(14) . . ?
Sc9 Sc15 Sc14 40.6(11) . . ?
Sc17 Sc15 Sc1 92.1(15) . . ?
Sc9 Sc15 Sc1 24.6(5) . . ?
Sc14 Sc15 Sc1 61.7(11) . . ?
Sc17 Sc15 Sc13 120.9(15) . . ?
Sc9 Sc15 Sc13 17.7(5) . . ?
Sc14 Sc15 Sc13 24.7(9) . . ?
Sc1 Sc15 Sc13 37.0(6) . . ?
Sc17 Sc15 Sc7 11.1(8) . . ?
Sc9 Sc15 Sc7 113.0(11) . . ?
Sc14 Sc15 Sc7 125.7(9) . . ?
Sc1 Sc15 Sc7 90.3(8) . . ?
Sc13 Sc15 Sc7 114.3(9) . . ?
Sc17 Sc15 Sc4 69.9(13) . . ?
Sc9 Sc15 Sc4 46.5(8) . . ?
Sc14 Sc15 Sc4 79.4(12) . . ?
Sc1 Sc15 Sc4 22.2(4) . . ?
Sc13 Sc15 Sc4 55.8(8) . . ?
Sc7 Sc15 Sc4 68.4(7) . . ?
Sc17 Sc15 Sc16 33.8(13) . . ?
Sc9 Sc15 Sc16 82.4(11) . . ?
Sc14 Sc15 Sc16 108.2(12) . . ?
Sc1 Sc15 Sc16 58.5(8) . . ?
Sc13 Sc15 Sc16 88.5(9) . . ?
Sc7 Sc15 Sc16 32.5(8) . . ?
Sc4 Sc15 Sc16 36.3(8) . . ?
Sc17 Sc15 Sc20 34.1(10) . . ?
Sc9 Sc15 Sc20 118.1(9) . . ?
Sc14 Sc15 Sc20 112.2(8) . . ?
Sc1 Sc15 Sc20 101.4(7) . . ?
Sc13 Sc15 Sc20 111.4(7) . . ?
Sc7 Sc15 Sc20 24.5(4) . . ?
Sc4 Sc15 Sc20 82.2(7) . . ?
Sc16 Sc15 Sc20 51.1(8) . . ?
Sc17 Sc15 Sc3 22.1(10) . . ?
Sc9 Sc15 Sc3 96.6(9) . . ?
Sc14 Sc15 Sc3 114.0(10) . . ?
Sc1 Sc15 Sc3 74.0(7) . . ?
Sc13 Sc15 Sc3 99.1(8) . . ?
Sc7 Sc15 Sc3 16.4(4) . . ?
Sc4 Sc15 Sc3 52.2(6) . . ?
Sc16 Sc15 Sc3 17.5(6) . . ?
Sc20 Sc15 Sc3 33.9(5) . . ?
Sc17 Sc15 Sc18 113.4(13) . . ?
Sc9 Sc15 Sc18 29.1(5) . . ?
Sc14 Sc15 Sc18 24.6(9) . . ?
Sc1 Sc15 Sc18 41.8(6) . . ?
Sc13 Sc15 Sc18 13.5(4) . . ?
Sc7 Sc15 Sc18 105.1(7) . . ?
Sc4 Sc15 Sc18 56.0(7) . . ?
Sc16 Sc15 Sc18 83.8(8) . . ?
Sc20 Sc15 Sc18 98.9(6) . . ?
Sc3 Sc15 Sc18 91.3(6) . . ?
Sc17 Sc15 Sc11 37.3(9) . . ?
Sc9 Sc15 Sc11 108.3(8) . . ?
Sc14 Sc15 Sc11 104.3(7) . . ?
Sc1 Sc15 Sc11 92.5(7) . . ?
Sc13 Sc15 Sc11 101.7(7) . . ?
Sc7 Sc15 Sc11 26.4(4) . . ?
Sc4 Sc15 Sc11 74.3(6) . . ?
Sc16 Sc15 Sc11 46.4(7) . . ?
Sc20 Sc15 Sc11 9.9(3) . . ?
Sc3 Sc15 Sc11 30.4(4) . . ?
Sc18 Sc15 Sc11 89.4(5) . . ?
Sc3 Sc16 Sc7 39.0(17) . . ?
Sc3 Sc16 Sc4 142(2) . . ?
Sc7 Sc16 Sc4 117.3(16) . . ?
Sc3 Sc16 Sc12 25.2(12) . . ?
Sc7 Sc16 Sc12 58.1(13) . . ?
Sc4 Sc16 Sc12 127.5(12) . . ?
Sc3 Sc16 Sc17 70(2) . . ?
Sc7 Sc16 Sc17 31.2(9) . . ?
Sc4 Sc16 Sc17 89.8(14) . . ?
Sc12 Sc16 Sc17 85.9(17) . . ?
Sc3 Sc16 Sc20 26.7(14) . . ?
Sc7 Sc16 Sc20 23.9(7) . . ?
Sc4 Sc16 Sc20 117.7(13) . . ?
Sc12 Sc16 Sc20 36.7(9) . . ?
Sc17 Sc16 Sc20 49.1(12) . . ?
Sc3 Sc16 Sc1 131(2) . . ?
Sc7 Sc16 Sc1 102.0(12) . . ?
Sc4 Sc16 Sc1 15.4(7) . . ?
Sc12 Sc16 Sc1 122.9(10) . . ?
Sc17 Sc16 Sc1 74.4(10) . . ?
Sc20 Sc16 Sc1 104.8(9) . . ?
Sc3 Sc16 Sc5 41.4(14) . . ?
Sc7 Sc16 Sc5 69.6(12) . . ?
Sc4 Sc16 Sc5 112.6(10) . . ?
Sc12 Sc16 Sc5 16.6(5) . . ?
Sc17 Sc16 Sc5 93.0(15) . . ?
Sc20 Sc16 Sc5 46.1(8) . . ?
Sc1 Sc16 Sc5 110.8(8) . . ?
Sc3 Sc16 Sc11 22.8(11) . . ?
Sc7 Sc16 Sc11 41.0(9) . . ?
Sc4 Sc16 Sc11 120.2(12) . . ?
Sc12 Sc16 Sc11 19.9(7) . . ?
Sc17 Sc16 Sc11 66.4(13) . . ?
Sc20 Sc16 Sc11 17.7(4) . . ?
Sc1 Sc16 Sc11 110.8(9) . . ?
Sc5 Sc16 Sc11 28.6(7) . . ?
Sc3 Sc16 Sc15 92(2) . . ?
Sc7 Sc16 Sc15 56.6(10) . . ?
Sc4 Sc16 Sc15 61.8(11) . . ?
Sc12 Sc16 Sc15 100.1(13) . . ?
Sc17 Sc16 Sc15 28.2(9) . . ?
Sc20 Sc16 Sc15 66.9(9) . . ?
Sc1 Sc16 Sc15 46.4(6) . . ?
Sc5 Sc16 Sc15 99.9(11) . . ?
Sc11 Sc16 Sc15 80.7(10) . . ?
Sc3 Sc16 Sc9 117(2) . . ?
Sc7 Sc16 Sc9 86.4(10) . . ?
Sc4 Sc16 Sc9 31.0(8) . . ?
Sc12 Sc16 Sc9 113.9(11) . . ?
Sc17 Sc16 Sc9 59.4(9) . . ?
Sc20 Sc16 Sc9 90.4(8) . . ?
Sc1 Sc16 Sc9 15.7(3) . . ?
Sc5 Sc16 Sc9 105.2(8) . . ?
Sc11 Sc16 Sc9 98.7(8) . . ?
Sc15 Sc16 Sc9 31.2(6) . . ?
Sc3 Sc16 Sc13 114.4(18) . . ?
Sc7 Sc16 Sc13 89.7(10) . . ?
Sc4 Sc16 Sc13 29.2(8) . . ?
Sc12 Sc16 Sc13 106.2(9) . . ?
Sc17 Sc16 Sc13 66.4(9) . . ?
Sc20 Sc16 Sc13 88.7(7) . . ?
Sc1 Sc16 Sc13 17.2(3) . . ?
Sc5 Sc16 Sc13 95.5(7) . . ?
Sc11 Sc16 Sc13 93.6(7) . . ?
Sc15 Sc16 Sc13 38.8(6) . . ?
Sc9 Sc16 Sc13 12.2(2) . . ?
Sc7 Sc17 Sc15 150.4(19) . . ?
Sc7 Sc17 Sc3 28.9(14) . . ?
Sc15 Sc17 Sc3 138.3(15) . . ?
Sc7 Sc17 Sc16 59(2) . . ?
Sc15 Sc17 Sc16 118.0(18) . . ?
Sc3 Sc17 Sc16 29.9(9) . . ?
Sc7 Sc17 Sc20 35.8(13) . . ?
Sc15 Sc17 Sc20 119.3(15) . . ?
Sc3 Sc17 Sc20 57.5(10) . . ?
Sc16 Sc17 Sc20 85.5(15) . . ?
Sc7 Sc17 Sc12 23.5(10) . . ?
Sc15 Sc17 Sc12 130.3(12) . . ?
Sc3 Sc17 Sc12 20.6(6) . . ?
Sc16 Sc17 Sc12 46.5(11) . . ?
Sc20 Sc17 Sc12 38.9(8) . . ?
Sc7 Sc17 Sc4 99(2) . . ?
Sc15 Sc17 Sc4 74.6(13) . . ?
Sc3 Sc17 Sc4 70.3(11) . . ?
Sc16 Sc17 Sc4 43.6(11) . . ?
Sc20 Sc17 Sc4 111.6(11) . . ?
Sc12 Sc17 Sc4 78.9(9) . . ?
Sc7 Sc17 Sc11 30.2(11) . . ?
Sc15 Sc17 Sc11 120.9(12) . . ?
Sc3 Sc17 Sc11 45.8(9) . . ?
Sc16 Sc17 Sc11 72.2(13) . . ?
Sc20 Sc17 Sc11 14.0(6) . . ?
Sc12 Sc17 Sc11 25.9(5) . . ?
Sc4 Sc17 Sc11 98.1(10) . . ?
Sc7 Sc17 Sc9 131.6(17) . . ?
Sc15 Sc17 Sc9 32.9(10) . . ?
Sc3 Sc17 Sc9 108.2(11) . . ?
Sc16 Sc17 Sc9 85.1(12) . . ?
Sc20 Sc17 Sc9 120.7(8) . . ?
Sc12 Sc17 Sc9 108.2(8) . . ?
Sc4 Sc17 Sc9 41.9(6) . . ?
Sc11 Sc17 Sc9 113.6(7) . . ?
Sc7 Sc17 Sc1 117(2) . . ?
Sc15 Sc17 Sc1 53.0(11) . . ?
Sc3 Sc17 Sc1 90.6(11) . . ?
Sc16 Sc17 Sc1 65.2(11) . . ?
Sc20 Sc17 Sc1 120.1(9) . . ?
Sc12 Sc17 Sc1 95.6(8) . . ?
Sc4 Sc17 Sc1 21.6(5) . . ?
Sc11 Sc17 Sc1 108.9(8) . . ?
Sc9 Sc17 Sc1 20.5(2) . . ?
Sc7 Sc17 Sc14 128.3(14) . . ?
Sc15 Sc17 Sc14 24.1(9) . . ?
Sc3 Sc17 Sc14 114.8(9) . . ?
Sc16 Sc17 Sc14 99.7(11) . . ?
Sc20 Sc17 Sc14 104.6(8) . . ?
Sc12 Sc17 Sc14 106.6(7) . . ?
Sc4 Sc17 Sc14 60.1(8) . . ?
Sc11 Sc17 Sc14 101.8(7) . . ?
Sc9 Sc17 Sc14 22.6(5) . . ?
Sc1 Sc17 Sc14 40.7(6) . . ?
Sc7 Sc17 Sc5 33.8(10) . . ?
Sc15 Sc17 Sc5 118.1(11) . . ?
Sc3 Sc17 Sc5 31.9(8) . . ?
Sc16 Sc17 Sc5 52.8(11) . . ?
Sc20 Sc17 Sc5 35.6(8) . . ?
Sc12 Sc17 Sc5 13.0(4) . . ?
Sc4 Sc17 Sc5 76.9(8) . . ?
Sc11 Sc17 Sc5 21.6(6) . . ?
Sc9 Sc17 Sc5 99.5(7) . . ?
Sc1 Sc17 Sc5 90.2(7) . . ?
Sc14 Sc17 Sc5 94.8(6) . . ?
Sc13 Sc18 Sc14 34.6(11) . . ?
Sc13 Sc18 Sc9 12.5(8) . . ?
Sc14 Sc18 Sc9 39.6(9) . . ?
Sc13 Sc18 Sc1 38.0(11) . . ?
Sc14 Sc18 Sc1 65.9(10) . . ?
Sc9 Sc18 Sc1 27.4(4) . . ?
Sc13 Sc18 Sc10 125.0(13) . . ?
Sc14 Sc18 Sc10 93.7(11) . . ?
Sc9 Sc18 Sc10 121.4(8) . . ?
Sc1 Sc18 Sc10 125.6(6) . . ?
Sc13 Sc18 Sc4 55.3(11) . . ?
Sc14 Sc18 Sc4 77.8(10) . . ?
Sc9 Sc18 Sc4 43.5(6) . . ?
Sc1 Sc18 Sc4 18.7(4) . . ?
Sc10 Sc18 Sc4 112.6(6) . . ?
Sc13 Sc18 Sc6 128.7(10) . . ?
Sc14 Sc18 Sc6 103.3(9) . . ?
Sc9 Sc18 Sc6 121.1(6) . . ?
Sc1 Sc18 Sc6 116.1(5) . . ?
Sc10 Sc18 Sc6 17.3(4) . . ?
Sc4 Sc18 Sc6 100.2(5) . . ?
Sc13 Sc18 Sc21 103.1(13) . . ?
Sc14 Sc18 Sc21 70.6(10) . . ?
Sc9 Sc18 Sc21 101.8(8) . . ?
Sc1 Sc18 Sc21 114.5(6) . . ?
Sc10 Sc18 Sc21 23.2(6) . . ?
Sc4 Sc18 Sc21 108.2(6) . . ?
Sc6 Sc18 Sc21 36.6(7) . . ?
Sc13 Sc18 Sc15 30.5(7) . . ?
Sc14 Sc18 Sc15 27.3(8) . . ?
Sc9 Sc18 Sc15 25.1(5) . . ?
Sc1 Sc18 Sc15 43.8(6) . . ?
Sc10 Sc18 Sc15 96.4(6) . . ?
Sc4 Sc18 Sc15 51.8(6) . . ?
Sc6 Sc18 Sc15 98.2(5) . . ?
Sc21 Sc18 Sc15 76.8(6) . . ?
Sc13 Sc18 Sc8 108.7(11) . . ?
Sc14 Sc18 Sc8 79.0(9) . . ?
Sc9 Sc18 Sc8 104.8(7) . . ?
Sc1 Sc18 Sc8 111.5(5) . . ?
Sc10 Sc18 Sc8 16.6(4) . . ?
Sc4 Sc18 Sc8 101.6(5) . . ?
Sc6 Sc18 Sc8 25.2(4) . . ?
Sc21 Sc18 Sc8 12.8(5) . . ?
Sc15 Sc18 Sc8 79.8(5) . . ?
Sc13 Sc18 Sc2 116.0(9) . . ?
Sc14 Sc18 Sc2 94.2(8) . . ?
Sc9 Sc18 Sc2 107.6(5) . . ?
Sc1 Sc18 Sc2 103.2(4) . . ?
Sc10 Sc18 Sc2 25.0(3) . . ?
Sc4 Sc18 Sc2 88.3(4) . . ?
Sc6 Sc18 Sc2 13.7(2) . . ?
Sc21 Sc18 Sc2 35.7(6) . . ?
Sc15 Sc18 Sc2 85.6(4) . . ?
Sc8 Sc18 Sc2 22.9(4) . . ?
Sc13 Sc18 Sc17 45.8(7) . . ?
Sc14 Sc18 Sc17 47.2(8) . . ?
Sc9 Sc18 Sc17 35.5(4) . . ?
Sc1 Sc18 Sc17 38.8(5) . . ?
Sc10 Sc18 Sc17 89.7(5) . . ?
Sc4 Sc18 Sc17 38.2(5) . . ?
Sc6 Sc18 Sc17 86.0(5) . . ?
Sc21 Sc18 Sc17 75.7(6) . . ?
Sc15 Sc18 Sc17 20.9(5) . . ?
Sc8 Sc18 Sc17 74.0(5) . . ?
Sc2 Sc18 Sc17 72.3(4) . . ?
Sc2 Sc19 Sc5 145.8(14) . . ?
Sc2 Sc19 Sc6 18.4(8) . . ?
Sc5 Sc19 Sc6 127.9(10) . . ?
Sc2 Sc19 Sc8 32.6(10) . . ?
Sc5 Sc19 Sc8 130.4(9) . . ?
Sc6 Sc19 Sc8 38.9(8) . . ?
Sc2 Sc19 Sc11 135.0(12) . . ?
Sc5 Sc19 Sc11 33.7(9) . . ?
Sc6 Sc19 Sc11 125.9(7) . . ?
Sc8 Sc19 Sc11 105.2(9) . . ?
Sc2 Sc19 Sc10 23.5(6) . . ?
Sc5 Sc19 Sc10 123.8(8) . . ?
Sc6 Sc19 Sc10 15.4(4) . . ?
Sc8 Sc19 Sc10 26.4(6) . . ?
Sc11 Sc19 Sc10 113.3(6) . . ?
Sc2 Sc19 Sc12 135.9(10) . . ?
Sc5 Sc19 Sc12 13.9(6) . . ?
Sc6 Sc19 Sc12 119.7(6) . . ?
Sc8 Sc19 Sc12 116.5(6) . . ?
Sc11 Sc19 Sc12 24.9(5) . . ?
Sc10 Sc19 Sc12 112.7(5) . . ?
Sc2 Sc19 Sc21 37.2(10) . . ?
Sc5 Sc19 Sc21 121.3(8) . . ?
Sc6 Sc19 Sc21 38.6(7) . . ?
Sc8 Sc19 Sc21 9.6(4) . . ?
Sc11 Sc19 Sc21 98.5(8) . . ?
Sc10 Sc19 Sc21 23.9(5) . . ?
Sc12 Sc19 Sc21 107.6(6) . . ?
Sc2 Sc19 Sc20 122.8(12) . . ?
Sc5 Sc19 Sc20 43.6(8) . . ?
Sc6 Sc19 Sc20 115.2(6) . . ?
Sc8 Sc19 Sc20 92.9(7) . . ?
Sc11 Sc19 Sc20 12.4(4) . . ?
Sc10 Sc19 Sc20 101.7(6) . . ?
Sc12 Sc19 Sc20 32.1(5) . . ?
Sc21 Sc19 Sc20 86.1(6) . . ?
Sc2 Sc19 Sc3 124.0(9) . . ?
Sc5 Sc19 Sc3 24.8(6) . . ?
Sc6 Sc19 Sc3 108.2(5) . . ?
Sc8 Sc19 Sc3 105.7(6) . . ?
Sc11 Sc19 Sc3 28.4(5) . . ?
Sc10 Sc19 Sc3 100.7(5) . . ?
Sc12 Sc19 Sc3 12.0(2) . . ?
Sc21 Sc19 Sc3 96.5(5) . . ?
Sc20 Sc19 Sc3 30.7(4) . . ?
Sc2 Sc19 Sc7 117.7(9) . . ?
Sc5 Sc19 Sc7 37.4(7) . . ?
Sc6 Sc19 Sc7 105.2(5) . . ?
Sc8 Sc19 Sc7 93.5(6) . . ?
Sc11 Sc19 Sc7 22.1(4) . . ?
Sc10 Sc19 Sc7 94.4(4) . . ?
Sc12 Sc19 Sc7 23.5(3) . . ?
Sc21 Sc19 Sc7 85.0(5) . . ?
Sc20 Sc19 Sc7 17.9(3) . . ?
Sc3 Sc19 Sc7 16.0(3) . . ?
Sc2 Sc19 Sc16 113.7(10) . . ?
Sc5 Sc19 Sc16 32.7(6) . . ?
Sc6 Sc19 Sc16 96.8(6) . . ?
Sc8 Sc19 Sc16 100.7(6) . . ?
Sc11 Sc19 Sc16 40.6(6) . . ?
Sc10 Sc19 Sc16 91.1(5) . . ?
Sc12 Sc19 Sc16 23.0(4) . . ?
Sc21 Sc19 Sc16 91.1(6) . . ?
Sc20 Sc19 Sc16 40.8(6) . . ?
Sc3 Sc19 Sc16 12.7(4) . . ?
Sc7 Sc19 Sc16 23.4(5) . . ?
Sc11 Sc20 Sc7 114(2) . . ?
Sc11 Sc20 Sc12 44.2(17) . . ?
Sc7 Sc20 Sc12 69.8(11) . . ?
Sc11 Sc20 Sc3 80(2) . . ?
Sc7 Sc20 Sc3 34.4(7) . . ?
Sc12 Sc20 Sc3 35.4(6) . . ?
Sc11 Sc20 Sc17 130(2) . . ?
Sc7 Sc20 Sc17 25.2(9) . . ?
Sc12 Sc20 Sc17 89.2(12) . . ?
Sc3 Sc20 Sc17 55.6(11) . . ?
Sc11 Sc20 Sc5 20.1(15) . . ?
Sc7 Sc20 Sc5 96.4(13) . . ?
Sc12 Sc20 Sc5 29.3(7) . . ?
Sc3 Sc20 Sc5 62.9(10) . . ?
Sc17 Sc20 Sc5 110.2(12) . . ?
Sc11 Sc20 Sc16 86(2) . . ?
Sc7 Sc20 Sc16 29.1(9) . . ?
Sc12 Sc20 Sc16 43.8(8) . . ?
Sc3 Sc20 Sc16 13.5(5) . . ?
Sc17 Sc20 Sc16 45.4(11) . . ?
Sc5 Sc20 Sc16 67.7(9) . . ?
Sc11 Sc20 Sc19 38.3(13) . . ?
Sc7 Sc20 Sc19 119.0(9) . . ?
Sc12 Sc20 Sc19 65.8(8) . . ?
Sc3 Sc20 Sc19 93.2(8) . . ?
Sc17 Sc20 Sc19 117.1(8) . . ?
Sc5 Sc20 Sc19 38.2(8) . . ?
Sc16 Sc20 Sc19 91.7(8) . . ?
Sc11 Sc20 Sc15 129.9(13) . . ?
Sc7 Sc20 Sc15 50.9(8) . . ?
Sc12 Sc20 Sc15 101.9(8) . . ?
Sc3 Sc20 Sc15 74.9(8) . . ?
Sc17 Sc20 Sc15 26.7(8) . . ?
Sc5 Sc20 Sc15 111.7(7) . . ?
Sc16 Sc20 Sc15 62.0(7) . . ?
Sc19 Sc20 Sc15 101.0(6) . . ?
Sc11 Sc20 Sc2 51.6(12) . . ?
Sc7 Sc20 Sc2 115.5(7) . . ?
Sc12 Sc20 Sc2 74.0(6) . . ?
Sc3 Sc20 Sc2 96.0(6) . . ?
Sc17 Sc20 Sc2 108.1(6) . . ?
Sc5 Sc20 Sc2 48.9(6) . . ?
Sc16 Sc20 Sc2 91.4(6) . . ?
Sc19 Sc20 Sc2 13.4(4) . . ?
Sc15 Sc20 Sc2 89.0(5) . . ?
Sc11 Sc20 Sc8 73.5(14) . . ?
Sc7 Sc20 Sc8 114.6(6) . . ?
Sc12 Sc20 Sc8 93.8(7) . . ?
Sc3 Sc20 Sc8 107.6(6) . . ?
Sc17 Sc20 Sc8 98.4(7) . . ?
Sc5 Sc20 Sc8 71.0(7) . . ?
Sc16 Sc20 Sc8 98.9(6) . . ?
Sc19 Sc20 Sc8 35.3(5) . . ?
Sc15 Sc20 Sc8 74.3(5) . . ?
Sc2 Sc20 Sc8 22.5(4) . . ?
Sc11 Sc20 Sc4 92.1(16) . . ?
Sc7 Sc20 Sc4 39.2(5) . . ?
Sc12 Sc20 Sc4 58.2(6) . . ?
Sc3 Sc20 Sc4 37.6(5) . . ?
Sc17 Sc20 Sc4 39.2(8) . . ?
Sc5 Sc20 Sc4 72.1(7) . . ?
Sc16 Sc20 Sc4 24.5(6) . . ?
Sc19 Sc20 Sc4 81.5(5) . . ?
Sc15 Sc20 Sc4 43.8(6) . . ?
Sc2 Sc20 Sc4 76.4(3) . . ?
Sc8 Sc20 Sc4 77.7(4) . . ?
Sc8 Sc21 Sc10 75(3) . . ?
Sc8 Sc21 Sc6 49(2) . . ?
Sc10 Sc21 Sc6 26.6(9) . . ?
Sc8 Sc21 Sc2 21.8(18) . . ?
Sc10 Sc21 Sc2 58.6(13) . . ?
Sc6 Sc21 Sc2 32.0(6) . . ?
Sc8 Sc21 Sc14 133(2) . . ?
Sc10 Sc21 Sc14 87.8(14) . . ?
Sc6 Sc21 Sc14 101.9(10) . . ?
Sc2 Sc21 Sc14 113.8(9) . . ?
Sc8 Sc21 Sc19 26.8(15) . . ?
Sc10 Sc21 Sc19 70.6(15) . . ?
Sc6 Sc21 Sc19 45.1(8) . . ?
Sc2 Sc21 Sc19 16.1(4) . . ?
Sc14 Sc21 Sc19 106.0(8) . . ?
Sc8 Sc21 Sc18 115(2) . . ?
Sc10 Sc21 Sc18 53.3(12) . . ?
Sc6 Sc21 Sc18 71.0(9) . . ?
Sc2 Sc21 Sc18 93.4(9) . . ?
Sc14 Sc21 Sc18 34.6(7) . . ?
Sc19 Sc21 Sc18 94.1(8) . . ?
Sc8 Sc21 Sc13 122(2) . . ?
Sc10 Sc21 Sc13 71.1(12) . . ?
Sc6 Sc21 Sc13 85.5(9) . . ?
Sc2 Sc21 Sc13 101.4(8) . . ?
Sc14 Sc21 Sc13 16.9(5) . . ?
Sc19 Sc21 Sc13 97.2(7) . . ?
Sc18 Sc21 Sc13 18.6(4) . . ?
Sc8 Sc21 Sc9 119.0(19) . . ?
Sc10 Sc21 Sc9 80.1(11) . . ?
Sc6 Sc21 Sc9 90.2(8) . . ?
Sc2 Sc21 Sc9 99.8(7) . . ?
Sc14 Sc21 Sc9 14.0(4) . . ?
Sc19 Sc21 Sc9 92.4(6) . . ?
Sc18 Sc21 Sc9 29.9(4) . . ?
Sc13 Sc21 Sc9 12.4(2) . . ?
Sc8 Sc21 Sc15 113.3(18) . . ?
Sc10 Sc21 Sc15 102.4(12) . . ?
Sc6 Sc21 Sc15 104.7(8) . . ?
Sc2 Sc21 Sc15 100.9(7) . . ?
Sc14 Sc21 Sc15 28.3(6) . . ?
Sc19 Sc21 Sc15 88.0(6) . . ?
Sc18 Sc21 Sc15 55.5(6) . . ?
Sc13 Sc21 Sc15 37.9(5) . . ?
Sc9 Sc21 Sc15 25.7(4) . . ?
Sc8 Sc21 Sc20 68.6(17) . . ?
Sc10 Sc21 Sc20 103.6(13) . . ?
Sc6 Sc21 Sc20 86.0(8) . . ?
Sc2 Sc21 Sc20 63.8(6) . . ?
Sc14 Sc21 Sc20 73.6(6) . . ?
Sc19 Sc21 Sc20 47.9(6) . . ?
Sc18 Sc21 Sc20 87.0(5) . . ?
Sc13 Sc21 Sc20 76.0(4) . . ?
Sc9 Sc21 Sc20 64.8(4) . . ?
Sc15 Sc21 Sc20 46.9(5) . . ?
Sc8 Sc21 Sc11 57.6(16) . . ?
Sc10 Sc21 Sc11 95.3(13) . . ?
Sc6 Sc21 Sc11 75.4(8) . . ?
Sc2 Sc21 Sc11 52.0(5) . . ?
Sc14 Sc21 Sc11 81.3(6) . . ?
Sc19 Sc21 Sc11 36.0(6) . . ?
Sc18 Sc21 Sc11 88.5(6) . . ?
Sc13 Sc21 Sc11 80.8(5) . . ?
Sc9 Sc21 Sc11 70.8(4) . . ?
Sc15 Sc21 Sc11 56.4(5) . . ?
Sc20 Sc21 Sc11 11.8(2) . . ?
C45 C1 C5 125.6(9) . . ?
C45 C1 C2 121.0(10) . . ?
C5 C1 C2 102.9(8) . . ?
C42 C2 C3 120.8(13) . . ?
C42 C2 C1 121.8(12) . . ?
C3 C2 C1 109.5(9) . . ?
C2 C3 C80 122.0(10) . . ?
C2 C3 C4 109.5(9) . . ?
C80 C3 C4 119.4(9) . . ?
C9 C4 C5 122.8(8) . . ?
C9 C4 C3 117.8(8) . . ?
C5 C4 C3 108.1(9) . . ?
C6 C5 C4 123.9(11) . . ?
C6 C5 C1 119.7(11) . . ?
C4 C5 C1 109.9(8) . . ?
C5 C6 C7 114.3(10) . . ?
C5 C6 C67 112.8(10) . . ?
C7 C6 C67 123.5(7) . . ?
C8 C7 C6 126.0(8) . . ?
C8 C7 C66 109.8(8) . . ?
C6 C7 C66 113.2(7) . . ?
C7 C8 C13 111.5(8) . . ?
C7 C8 C9 117.7(9) . . ?
C13 C8 C9 122.1(9) . . ?
C10 C9 C4 118.6(9) . . ?
C10 C9 C8 118.0(10) . . ?
C4 C9 C8 114.9(8) . . ?
C9 C10 C68 123.7(12) . . ?
C9 C10 C11 119.0(10) . . ?
C68 C10 C11 109.2(10) . . ?
C12 C11 C70 124.1(11) . . ?
C12 C11 C10 120.9(10) . . ?
C70 C11 C10 105.5(10) . . ?
C11 C12 C13 123.7(13) . . ?
C11 C12 C17 120.6(10) . . ?
C13 C12 C17 109.3(11) . . ?
C12 C13 C8 116.1(10) . . ?
C12 C13 C14 127.9(11) . . ?
C8 C13 C14 106.9(8) . . ?
C15 C14 C13 121.4(10) . . ?
C15 C14 C66 120.0(9) . . ?
C13 C14 C66 107.8(8) . . ?
C59 C15 C14 124.6(14) . . ?
C59 C15 C16 112.9(11) . . ?
C14 C15 C16 117.1(12) . . ?
C20 C16 C17 110.7(9) . . ?
C20 C16 C15 121.3(10) . . ?
C17 C16 C15 114.7(10) . . ?
C18 C17 C12 113.7(10) . . ?
C18 C17 C16 107.3(10) . . ?
C12 C17 C16 128.4(10) . . ?
C17 C18 C19 109.4(10) . . ?
C17 C18 C71 123.1(10) . . ?
C19 C18 C71 119.1(9) . . ?
C18 C19 C24 128.7(12) . . ?
C18 C19 C20 110.2(9) . . ?
C24 C19 C20 111.7(11) . . ?
C16 C20 C19 102.4(9) . . ?
C16 C20 C21 118.7(9) . . ?
C19 C20 C21 127.3(10) . . ?
C22 C21 C58 126.6(15) . . ?
C22 C21 C20 111.8(12) . . ?
C58 C21 C20 114.0(10) . . ?
C21 C22 C55 119.0(14) . . ?
C21 C22 C23 125.3(13) . . ?
C55 C22 C23 106.3(9) . . ?
C24 C23 C28 123.6(10) . . ?
C24 C23 C22 119.0(10) . . ?
C28 C23 C22 104.3(9) . . ?
C25 C24 C23 124.8(14) . . ?
C25 C24 C19 104.9(13) . . ?
C23 C24 C19 123.7(13) . . ?
C24 C25 C72 134.3(12) . . ?
C24 C25 C26 109.8(11) . . ?
C72 C25 C26 107.5(8) . . ?
C78 C26 C27 113.6(8) . . ?
C78 C26 C25 105.6(7) . . ?
C27 C26 C25 129.3(8) . . ?
C28 C27 C32 123.1(12) . . ?
C28 C27 C26 106.7(10) . . ?
C32 C27 C26 121.9(8) . . ?
C27 C28 C23 124.4(12) . . ?
C27 C28 C29 114.4(12) . . ?
C23 C28 C29 111.8(10) . . ?
C30 C29 C28 126.9(10) . . ?
C30 C29 C55 116.9(9) . . ?
C28 C29 C55 107.8(10) . . ?
C54 C30 C29 121.3(12) . . ?
C54 C30 C31 118.3(12) . . ?
C29 C30 C31 112.3(10) . . ?
C32 C31 C35 111.2(11) . . ?
C32 C31 C30 119.6(11) . . ?
C35 C31 C30 119.5(11) . . ?
C31 C32 C27 123.6(10) . . ?
C31 C32 C33 111.9(10) . . ?
C27 C32 C33 115.2(9) . . ?
C77 C33 C32 127.6(10) . . ?
C77 C33 C34 119.8(10) . . ?
C32 C33 C34 104.0(8) . . ?
C39 C34 C35 121.5(10) . . ?
C39 C34 C33 120.8(9) . . ?
C35 C34 C33 106.7(9) . . ?
C36 C35 C31 115.8(12) . . ?
C36 C35 C34 128.2(12) . . ?
C31 C35 C34 106.1(10) . . ?
C50 C36 C35 126.2(15) . . ?
C50 C36 C37 120.8(12) . . ?
C35 C36 C37 107.0(12) . . ?
C49 C37 C38 105.5(11) . . ?
C49 C37 C36 113.3(11) . . ?
C38 C37 C36 129.6(10) . . ?
C43 C38 C39 120.7(7) . . ?
C43 C38 C37 109.7(9) . . ?
C39 C38 C37 116.6(9) . . ?
C40 C39 C34 118.8(11) . . ?
C40 C39 C38 119.7(7) . . ?
C34 C39 C38 115.5(10) . . ?
C39 C40 C41 121.5(7) . . ?
C39 C40 C76 116.2(9) . . ?
C41 C40 C76 112.5(8) . . ?
C42 C41 C79 121.6(7) . . ?
C42 C41 C40 122.0(7) . . ?
C79 C41 C40 106.3(7) . . ?
C2 C42 C41 120.9(11) . . ?
C2 C42 C43 113.4(10) . . ?
C41 C42 C43 117.7(6) . . ?
C38 C43 C44 104.9(9) . . ?
C38 C43 C42 117.9(6) . . ?
C44 C43 C42 128.3(10) . . ?
C49 C44 C45 130.3(12) . . ?
C49 C44 C43 109.2(10) . . ?
C45 C44 C43 109.6(12) . . ?
C1 C45 C46 124.2(13) . . ?
C1 C45 C44 125.5(13) . . ?
C46 C45 C44 104.8(13) . . ?
C45 C46 C47 129.6(11) . . ?
C45 C46 C67 108.7(10) . . ?
C47 C46 C67 109.6(8) . . ?
C48 C47 C63 123.1(11) . . ?
C48 C47 C46 120.9(11) . . ?
C63 C47 C46 106.1(9) . . ?
C51 C48 C47 124.6(13) . . ?
C51 C48 C49 114.9(11) . . ?
C47 C48 C49 113.9(11) . . ?
C44 C49 C37 110.5(11) . . ?
C44 C49 C48 118.3(10) . . ?
C37 C49 C48 121.8(10) . . ?
C36 C50 C51 126.3(15) . . ?
C36 C50 C54 119.5(13) . . ?
C51 C50 C54 104.8(12) . . ?
C50 C51 C48 122.6(14) . . ?
C50 C51 C52 117.9(13) . . ?
C48 C51 C52 111.0(11) . . ?
C62 C52 C51 130.8(11) . . ?
C62 C52 C53 117.6(10) . . ?
C51 C52 C53 101.7(10) . . ?
C56 C53 C54 128.7(12) . . ?
C56 C53 C52 116.7(10) . . ?
C54 C53 C52 104.6(11) . . ?
C30 C54 C53 118.8(13) . . ?
C30 C54 C50 120.7(12) . . ?
C53 C54 C50 111.0(11) . . ?
C56 C55 C22 119.2(10) . . ?
C56 C55 C29 120.3(10) . . ?
C22 C55 C29 109.8(10) . . ?
C53 C56 C57 121.9(11) . . ?
C53 C56 C55 113.6(11) . . ?
C57 C56 C55 117.6(10) . . ?
C56 C57 C61 123.9(10) . . ?
C56 C57 C58 119.3(8) . . ?
C61 C57 C58 108.2(8) . . ?
C21 C58 C59 124.8(10) . . ?
C21 C58 C57 118.3(9) . . ?
C59 C58 C57 108.0(8) . . ?
C15 C59 C58 127.5(11) . . ?
C15 C59 C60 113.0(10) . . ?
C58 C59 C60 110.2(8) . . ?
C65 C60 C61 127.7(9) . . ?
C65 C60 C59 123.3(8) . . ?
C61 C60 C59 99.9(7) . . ?
C62 C61 C57 116.0(9) . . ?
C62 C61 C60 120.6(9) . . ?
C57 C61 C60 113.7(9) . . ?
C52 C62 C61 123.9(11) . . ?
C52 C62 C63 112.2(10) . . ?
C61 C62 C63 116.0(10) . . ?
C47 C63 C62 117.7(10) . . ?
C47 C63 C64 111.9(8) . . ?
C62 C63 C64 121.1(9) . . ?
C65 C64 C67 123.7(9) . . ?
C65 C64 C63 119.6(8) . . ?
C67 C64 C63 107.0(7) . . ?
C66 C65 C64 118.2(10) . . ?
C66 C65 C60 117.8(10) . . ?
C64 C65 C60 114.9(9) . . ?
C65 C66 C7 127.0(10) . . ?
C65 C66 C14 121.3(9) . . ?
C7 C66 C14 103.9(6) . . ?
C64 C67 C6 114.4(8) . . ?
C64 C67 C46 105.3(7) . . ?
C6 C67 C46 128.2(8) . . ?
C80 C68 C10 125.3(11) . . ?
C80 C68 C69 115.9(9) . . ?
C10 C68 C69 109.7(10) . . ?
C74 C69 C70 129.7(10) . . ?
C74 C69 C68 121.7(9) . . ?
C70 C69 C68 98.8(8) . . ?
C11 C70 C71 123.7(12) . . ?
C11 C70 C69 116.7(10) . . ?
C71 C70 C69 110.8(10) . . ?
C70 C71 C72 125.2(12) . . ?
C70 C71 C18 114.6(9) . . ?
C72 C71 C18 112.3(10) . . ?
C71 C72 C73 122.8(10) . . ?
C71 C72 C25 119.8(10) . . ?
C73 C72 C25 108.5(8) . . ?
C72 C73 C74 117.3(9) . . ?
C72 C73 C78 111.9(8) . . ?
C74 C73 C78 121.2(9) . . ?
C75 C74 C69 121.3(11) . . ?
C75 C74 C73 116.6(11) . . ?
C69 C74 C73 114.0(10) . . ?
C74 C75 C79 117.2(11) . . ?
C74 C75 C76 121.9(11) . . ?
C79 C75 C76 112.2(9) . . ?
C77 C76 C75 123.7(10) . . ?
C77 C76 C40 126.2(10) . . ?
C75 C76 C40 100.1(8) . . ?
C33 C77 C78 115.9(10) . . ?
C33 C77 C76 117.8(11) . . ?
C78 C77 C76 117.7(10) . . ?
C77 C78 C26 125.8(9) . . ?
C77 C78 C73 118.8(9) . . ?
C26 C78 C73 106.5(7) . . ?
C41 C79 C80 117.3(8) . . ?
C41 C79 C75 108.8(8) . . ?
C80 C79 C75 124.8(10) . . ?
C68 C80 C79 119.0(10) . . ?
C68 C80 C3 115.2(10) . . ?
C79 C80 C3 117.3(10) . . ?
N3P Ni1P N1P 177.92(8) . . ?
N3P Ni1P N2P 90.13(9) . . ?
N1P Ni1P N2P 89.86(9) . . ?
N3P Ni1P N4P 89.93(9) . . ?
N1P Ni1P N4P 89.99(9) . . ?
N2P Ni1P N4P 177.69(8) . . ?
C1P N1P C4P 104.15(19) . . ?
C1P N1P Ni1P 127.75(17) . . ?
C4P N1P Ni1P 127.99(15) . . ?
C9P N2P C6P 104.10(18) . . ?
C9P N2P Ni1P 128.08(16) . . ?
C6P N2P Ni1P 127.80(15) . . ?
C11P N3P C14P 104.5(2) . . ?
C11P N3P Ni1P 127.51(17) . . ?
C14P N3P Ni1P 127.93(16) . . ?
C19P N4P C16P 104.18(19) . . ?
C19P N4P Ni1P 127.83(17) . . ?
C16P N4P Ni1P 127.99(16) . . ?
C20P C1P N1P 125.1(2) . . ?
C20P C1P C2P 123.7(2) . . ?
N1P C1P C2P 111.2(2) . . ?
C3P C2P C1P 106.8(2) . . ?
C3P C2P C21P 128.4(3) . . ?
C1P C2P C21P 124.6(3) . . ?
C2P C3P C4P 105.9(2) . . ?
C2P C3P C23P 129.0(2) . . ?
C4P C3P C23P 125.1(2) . . ?
C5P C4P N1P 125.0(2) . . ?
C5P C4P C3P 123.0(2) . . ?
N1P C4P C3P 112.0(2) . . ?
C4P C5P C6P 123.9(2) . . ?
C5P C6P N2P 125.4(2) . . ?
C5P C6P C7P 123.0(2) . . ?
N2P C6P C7P 111.7(2) . . ?
C8P C7P C6P 106.1(2) . . ?
C8P C7P C25P 129.2(2) . . ?
C6P C7P C25P 124.7(2) . . ?
C7P C8P C9P 106.5(2) . . ?
C7P C8P C27P 127.9(3) . . ?
C9P C8P C27P 125.5(2) . . ?
C10P C9P N2P 124.9(2) . . ?
C10P C9P C8P 123.5(2) . . ?
N2P C9P C8P 111.6(2) . . ?
C9P C10P C11P 123.9(2) . . ?
N3P C11P C10P 125.4(2) . . ?
N3P C11P C12P 111.4(2) . . ?
C10P C11P C12P 123.1(2) . . ?
C13P C12P C11P 106.3(2) . . ?
C13P C12P C29P 128.8(3) . . ?
C11P C12P C29P 124.9(3) . . ?
C12P C13P C14P 106.4(2) . . ?
C12P C13P C31P 128.6(3) . . ?
C14P C13P C31P 124.9(3) . . ?
N3P C14P C15P 124.9(2) . . ?
N3P C14P C13P 111.4(2) . . ?
C15P C14P C13P 123.7(2) . . ?
C16P C15P C14P 124.3(2) . . ?
C15P C16P N4P 124.9(2) . . ?
C15P C16P C17P 124.0(3) . . ?
N4P C16P C17P 111.1(2) . . ?
C18P C17P C16P 106.7(2) . . ?
C18P C17P C33P 128.2(3) . . ?
C16P C17P C33P 125.1(3) . . ?
C17P C18P C19P 106.8(2) . . ?
C17P C18P C35P 127.9(3) . . ?
C19P C18P C35P 125.3(3) . . ?
C20P C19P N4P 125.1(2) . . ?
C20P C19P C18P 123.5(2) . . ?
N4P C19P C18P 111.3(2) . . ?
C19P C20P C1P 124.2(2) . . ?
C2P C21P C22P 111.8(2) . . ?
C3P C23P C24P 112.2(3) . . ?
C7P C25P C26P 112.6(3) . . ?
C8P C27P C28P 112.5(2) . . ?
C12P C29P C30P 113.2(3) . . ?
C13P C31P C32P 112.6(4) . . ?
C17P C33P C34P 113.4(4) . . ?
C18P C35P C36P 113.1(3) . . ?
C6S C1S C2S 120.8(5) . . ?
C3S C2S C1S 122.3(5) . . ?
C2S C3S C4S 118.9(5) . . ?
C3S C4S C5S 119.8(5) . . ?
C4S C5S C6S 118.6(5) . . ?
C1S C6S C5S 119.6(5) . . ?
C8S C7S C12S 120.0 . . ?
C9S C8S C7S 120.0 . . ?
C8S C9S C10S 120.0 . . ?
C11S C10S C9S 120.0 . . ?
C10S C11S C12S 120.0 . . ?
C11S C12S C7S 120.0 . . ?

_refine_diff_density_max         1.291
_refine_diff_density_min         -0.589
_refine_diff_density_rms         0.109



####################################################################### 
# 
# 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_sc3n@c80-130k
_database_code_depnum_ccdc_archive 'CCDC 2027145'
loop_
_audit_author_name
_audit_author_address
'Fupin Liu'
;Leibniz Institute for Solid State and Materials Research, Dresden
Germany
;
_audit_update_record             
;
2020-09-03 deposited with the CCDC.	2020-11-03 downloaded from the CCDC.
;
# start Validation Reply Form
_vrf_PLAT308_sc3n@c80-130k       
;
PROBLEM: Single Bonded Metal Atom 
RESPONSE: This is disordered endohedral metal atom
;
_vrf_PLAT029_sc3n@c80-130k       
;
PROBLEM: diffrn_measured_fraction_theta_full value low
RESPONSE: This is caused by the limited phi scan with synchrotron radiation 
X-ray diffraction facility
;

_audit_creation_method           SHELXL-2018/3
_shelx_SHELXL_version_number     2018/3
_chemical_name_systematic        ?
_chemical_name_common            ;Sc3N@Ih(7)-C80/NiOEP/2C6H6;
_chemical_melting_point          ?
_chemical_formula_moiety         ;Sc3N@C80/NiOEP/2C6H6;
_chemical_formula_sum            'C128 H56 N5 Ni Sc3'
_chemical_formula_weight         1857.36

loop_
_atom_type_symbol
_atom_type_description
_atom_type_scat_dispersion_real
_atom_type_scat_dispersion_imag
_atom_type_scat_source
C C 0.0048 0.0021 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
H H 0.0000 0.0000 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
N N 0.0087 0.0042 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Sc Sc 0.3094 0.4822 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Ni Ni 0.3285 1.3900 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'

_space_group_crystal_system      triclinic
_space_group_IT_number           2
_space_group_name_H-M_alt        'P -1'
_space_group_name_Hall           '-P 1'

_shelx_space_group_comment       
;
The symmetry employed for this shelxl refinement is uniquely defined
by the following loop, which should always be used as a source of
symmetry information in preference to the above space-group names.
They are only intended as comments.
;

loop_
_space_group_symop_operation_xyz
'x, y, z'
'-x, -y, -z'

_cell_length_a                   14.740(3)
_cell_length_b                   15.410(3)
_cell_length_c                   17.700(4)
_cell_angle_alpha                81.20(3)
_cell_angle_beta                 74.54(3)
_cell_angle_gamma                86.28(3)
_cell_volume                     3828.1(15)
_cell_formula_units_Z            2
_cell_measurement_temperature    130(2)
_cell_measurement_reflns_used    71830
_cell_measurement_theta_min      2.235
_cell_measurement_theta_max      36.638

_exptl_crystal_description       block
_exptl_crystal_colour            black
_exptl_crystal_density_meas      ?
_exptl_crystal_density_method    ?
_exptl_crystal_density_diffrn    1.611
_exptl_crystal_F_000             1900
_exptl_transmission_factor_min   ?
_exptl_transmission_factor_max   ?
_exptl_crystal_size_max          0.100
_exptl_crystal_size_mid          0.080
_exptl_crystal_size_min          0.060
_exptl_absorpt_coefficient_mu    0.782
_shelx_estimated_absorpt_T_min   0.926
_shelx_estimated_absorpt_T_max   0.955
_exptl_absorpt_correction_type   ?
_exptl_absorpt_correction_T_min  ?
_exptl_absorpt_correction_T_max  ?
_exptl_absorpt_process_details   ?
_exptl_absorpt_special_details   ?
_diffrn_ambient_temperature      130(2)
_diffrn_radiation_wavelength     0.7999
_diffrn_radiation_type           synchrotron
_diffrn_source                   'BESSY BL MX-14.2'
_diffrn_measurement_device_type  PILATUS
_diffrn_measurement_method       'phi scan'
_diffrn_detector_area_resol_mean ?
_diffrn_reflns_number            71830
_diffrn_reflns_av_unetI/netI     0.0377
_diffrn_reflns_av_R_equivalents  0.0407
_diffrn_reflns_limit_h_min       -20
_diffrn_reflns_limit_h_max       20
_diffrn_reflns_limit_k_min       -20
_diffrn_reflns_limit_k_max       20
_diffrn_reflns_limit_l_min       -25
_diffrn_reflns_limit_l_max       25
_diffrn_reflns_theta_min         2.235
_diffrn_reflns_theta_max         36.638
_diffrn_reflns_theta_full        28.681
_diffrn_measured_fraction_theta_max 0.783
_diffrn_measured_fraction_theta_full 0.914
_diffrn_reflns_Laue_measured_fraction_max 0.783
_diffrn_reflns_Laue_measured_fraction_full 0.914
_diffrn_reflns_point_group_measured_fraction_max 0.783
_diffrn_reflns_point_group_measured_fraction_full 0.914
_reflns_number_total             20850
_reflns_number_gt                20656
_reflns_threshold_expression     'I > 2σ(I)'
_reflns_Friedel_coverage         0.000
_reflns_Friedel_fraction_max     .
_reflns_Friedel_fraction_full    .

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

_computing_data_collection       XDS
_computing_cell_refinement       XDS
_computing_data_reduction        XDS
_computing_structure_solution    'SHELXT 2018/2 (Sheldrick, 2018)'
_computing_structure_refinement  'SHELXL-2018/3 (Sheldrick, 2018)'
_computing_molecular_graphics    ?
_computing_publication_material  ?
_refine_special_details          ?
_refine_ls_structure_factor_coef Fsqd
_refine_ls_matrix_type           full
_refine_ls_weighting_scheme      calc
_refine_ls_weighting_details     
'w=1/[σ²(Fo²)+(0.1586P)²+7.7646P] where P=(Fo²+2Fc²)/3'
_atom_sites_solution_primary     ?
_atom_sites_solution_secondary   ?
_atom_sites_solution_hydrogens   geom
_refine_ls_hydrogen_treatment    constr
_refine_ls_extinction_method     none
_refine_ls_extinction_coef       .
_refine_ls_number_reflns         20850
_refine_ls_number_parameters     1353
_refine_ls_number_restraints     175
_refine_ls_R_factor_all          0.0927
_refine_ls_R_factor_gt           0.0922
_refine_ls_wR_factor_ref         0.2615
_refine_ls_wR_factor_gt          0.2609
_refine_ls_goodness_of_fit_ref   1.031
_refine_ls_restrained_S_all      1.045
_refine_ls_shift/su_max          0.008
_refine_ls_shift/su_mean         0.000

loop_
_atom_site_label
_atom_site_type_symbol
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_U_iso_or_equiv
_atom_site_adp_type
_atom_site_occupancy
_atom_site_site_symmetry_order
_atom_site_calc_flag
_atom_site_refinement_flags_posn
_atom_site_refinement_flags_adp
_atom_site_refinement_flags_occupancy
_atom_site_disorder_assembly
_atom_site_disorder_group
N1 N 0.55970(14) 0.79189(14) 0.76247(12) 0.0183(4) Uani 1 1 d . . . A 1
Sc1 Sc 0.6163(4) 0.7277(6) 0.6695(3) 0.0456(13) Uani 0.246(3) 1 d . U P B 2
Sc2 Sc 0.44935(14) 0.86393(18) 0.8148(2) 0.0624(9) Uani 0.395(3) 1 d . U P B 2
Sc3 Sc 0.6258(4) 0.7103(3) 0.8330(3) 0.0433(9) Uani 0.239(3) 1 d . U P B 2
Sc4 Sc 0.5945(6) 0.6955(5) 0.6971(6) 0.0652(19) Uani 0.175(3) 1 d . U P B 2
Sc5 Sc 0.6118(6) 0.7878(6) 0.8563(4) 0.0623(15) Uani 0.197(3) 1 d . U P B 2
Sc6 Sc 0.4337(4) 0.8563(5) 0.7712(5) 0.0629(15) Uani 0.196(3) 1 d . U P B 2
Sc7 Sc 0.6694(3) 0.7461(4) 0.8082(3) 0.0494(11) Uani 0.205(3) 1 d . U P B 2
Sc8 Sc 0.4926(4) 0.9107(3) 0.7591(5) 0.0753(16) Uani 0.226(3) 1 d . U P B 2
Sc9 Sc 0.6045(3) 0.7679(3) 0.64916(14) 0.0475(8) Uani 0.378(3) 1 d . U P B 2
Sc10 Sc 0.4650(7) 0.8813(8) 0.7305(8) 0.077(2) Uani 0.153(3) 1 d . U P B 2
Sc11 Sc 0.6474(11) 0.7992(10) 0.8300(8) 0.054(2) Uani 0.095(3) 1 d . U P B 2
Sc12 Sc 0.5864(5) 0.7338(5) 0.8638(3) 0.0627(13) Uani 0.233(3) 1 d . U P B 2
Sc13 Sc 0.5500(11) 0.7696(8) 0.6578(6) 0.061(2) Uani 0.107(3) 1 d . U P B 2
Sc14 Sc 0.6195(11) 0.8223(12) 0.6472(7) 0.070(3) Uani 0.080(3) 1 d . U P B 2
Sc15 Sc 0.6955(11) 0.7906(11) 0.7026(9) 0.073(3) Uani 0.075(3) 1 d . U P B 2
C1 C 0.7825(3) 0.6485(3) 0.6541(2) 0.0490(10) Uani 1 1 d . . . C 1
C2 C 0.8097(3) 0.6568(4) 0.7268(3) 0.0642(14) Uani 1 1 d . . . C 1
C3 C 0.8424(3) 0.7416(4) 0.7227(3) 0.0585(13) Uani 1 1 d . . . C 1
C4 C 0.8393(2) 0.7926(4) 0.6466(3) 0.0533(11) Uani 1 1 d . . . C 1
C5 C 0.8035(3) 0.7354(5) 0.6060(3) 0.0721(17) Uani 1 1 d . . . C 1
C6 C 0.7510(3) 0.7673(4) 0.5500(2) 0.0599(13) Uani 1 1 d . . . C 1
C7 C 0.7346(3) 0.8606(3) 0.54134(19) 0.0498(10) Uani 1 1 d . . . C 1
C8 C 0.7648(3) 0.9179(4) 0.5839(2) 0.0554(12) Uani 1 1 d . . . C 1
C9 C 0.8194(3) 0.8817(4) 0.6406(3) 0.0604(13) Uani 1 1 d . . . C 1
C10 C 0.8065(3) 0.9238(4) 0.7068(3) 0.0607(13) Uani 1 1 d . . . C 1
C11 C 0.7397(3) 0.9954(3) 0.7197(3) 0.0580(12) Uani 1 1 d . . . C 1
C12 C 0.6844(4) 1.0259(3) 0.6682(3) 0.0580(12) Uani 1 1 d . . . C 1
C13 C 0.6992(4) 0.9867(3) 0.5981(3) 0.0570(12) Uani 1 1 d . . . C 1
C14 C 0.6234(3) 0.9744(3) 0.5635(2) 0.0497(10) Uani 1 1 d . . . C 1
C15 C 0.5296(4) 1.0007(3) 0.5989(3) 0.0574(11) Uani 1 1 d . . . C 1
C16 C 0.5133(4) 1.0473(3) 0.6663(3) 0.0590(12) Uani 1 1 d . . . C 1
C17 C 0.5911(4) 1.0577(3) 0.6986(3) 0.0600(12) Uani 1 1 d . . . C 1
C18 C 0.5556(4) 1.0540(3) 0.7811(3) 0.0564(11) Uani 1 1 d . . . C 1
C19 C 0.4565(4) 1.0407(3) 0.8011(3) 0.0617(13) Uani 1 1 d . . . C 1
C20 C 0.4289(4) 1.0351(4) 0.7279(4) 0.0655(14) Uani 1 1 d . . . C 1
C21 C 0.3567(3) 0.9790(4) 0.7265(3) 0.0625(14) Uani 1 1 d . . . C 1
C22 C 0.3053(3) 0.9330(4) 0.8001(3) 0.0715(17) Uani 1 1 d . . . C 1
C23 C 0.3299(3) 0.9407(3) 0.8746(3) 0.0505(10) Uani 1 1 d . . . C 1
C24 C 0.4059(4) 0.9909(4) 0.8739(3) 0.0692(15) Uani 1 1 d . . . C 1
C25 C 0.4618(4) 0.9606(4) 0.9246(3) 0.0671(15) Uani 1 1 d . . . C 1
C26 C 0.4386(4) 0.8747(3) 0.9767(2) 0.0570(12) Uani 1 1 d . . . C 1
C27 C 0.3695(4) 0.8185(4) 0.9736(2) 0.0699(17) Uani 1 1 d . . . C 1
C28 C 0.3120(3) 0.8539(5) 0.9211(3) 0.0782(19) Uani 1 1 d . . . C 1
C29 C 0.2805(3) 0.7946(4) 0.8783(3) 0.0630(13) Uani 1 1 d . . . C 1
C30 C 0.2994(3) 0.7036(4) 0.8849(3) 0.0688(15) Uani 1 1 d . . . C 1
C31 C 0.3536(4) 0.6679(4) 0.9424(3) 0.0671(15) Uani 1 1 d . . . C 1
C32 C 0.3850(3) 0.7248(4) 0.9837(2) 0.0575(12) Uani 1 1 d . . . C 1
C33 C 0.4747(4) 0.6915(4) 0.9972(2) 0.0562(12) Uani 1 1 d . . . C 1
C34 C 0.4962(4) 0.6105(3) 0.9621(2) 0.0559(11) Uani 1 1 d . . . C 1
C35 C 0.4202(5) 0.5973(4) 0.9285(3) 0.0707(16) Uani 1 1 d . . . C 1
C36 C 0.4332(5) 0.5592(4) 0.8581(3) 0.0724(17) Uani 1 1 d . . . C 1
C37 C 0.5264(5) 0.5270(3) 0.8292(4) 0.0720(16) Uani 1 1 d . . . C 1
C38 C 0.6058(5) 0.5394(3) 0.8605(3) 0.0711(16) Uani 1 1 d . . . C 1
C39 C 0.5910(5) 0.5844(4) 0.9283(3) 0.0675(14) Uani 1 1 d . . . C 1
C40 C 0.6647(4) 0.6359(4) 0.9330(3) 0.0568(12) Uani 1 1 d . . . C 1
C41 C 0.7499(4) 0.6488(4) 0.8698(3) 0.0608(13) Uani 1 1 d . . . C 1
C42 C 0.7617(4) 0.6097(4) 0.7991(3) 0.0690(18) Uani 1 1 d . . . C 1
C43 C 0.6889(5) 0.5531(4) 0.7976(4) 0.0673(14) Uani 1 1 d . . . C 1
C44 C 0.6613(5) 0.5457(3) 0.7250(3) 0.0697(16) Uani 1 1 d . . . C 1
C45 C 0.7112(4) 0.5966(4) 0.6537(3) 0.0643(14) Uani 1 1 d . . . C 1
C46 C 0.6603(5) 0.6235(4) 0.5976(3) 0.0744(17) Uani 1 1 d . . . C 1
C47 C 0.5561(4) 0.6115(3) 0.6173(3) 0.0626(13) Uani 1 1 d . . . C 1
C48 C 0.5062(5) 0.5672(3) 0.6917(4) 0.0718(17) Uani 1 1 d . . . C 1
C49 C 0.5639(4) 0.5301(3) 0.7451(4) 0.0639(14) Uani 1 1 d . . . C 1
C50 C 0.3786(5) 0.5883(4) 0.8064(4) 0.0735(18) Uani 1 1 d . . . C 1
C51 C 0.4145(5) 0.5927(4) 0.7245(4) 0.0765(18) Uani 1 1 d . . . C 1
C52 C 0.3736(4) 0.6667(4) 0.6834(4) 0.0723(16) Uani 1 1 d . . . C 1
C53 C 0.3066(3) 0.7111(4) 0.7450(4) 0.0710(16) Uani 1 1 d . . . C 1
C54 C 0.3111(4) 0.6621(5) 0.8200(4) 0.0790(19) Uani 1 1 d . . . C 1
C55 C 0.2757(2) 0.8456(4) 0.8024(3) 0.0606(13) Uani 1 1 d . . . C 1
C56 C 0.2934(3) 0.8005(4) 0.7343(3) 0.0616(13) Uani 1 1 d . . . C 1
C57 C 0.3403(3) 0.8488(4) 0.6605(3) 0.0591(13) Uani 1 1 d . . . C 1
C58 C 0.3713(3) 0.9364(4) 0.6572(3) 0.0588(13) Uani 1 1 d . . . C 1
C59 C 0.4566(3) 0.9488(3) 0.5953(2) 0.0524(11) Uani 1 1 d . . . C 1
C60 C 0.4805(3) 0.8673(4) 0.5576(2) 0.0573(12) Uani 1 1 d . . . C 1
C61 C 0.4047(3) 0.8074(4) 0.5996(3) 0.0611(13) Uani 1 1 d . . . C 1
C62 C 0.4229(4) 0.7173(4) 0.6115(3) 0.0661(14) Uani 1 1 d . . . C 1
C63 C 0.5176(4) 0.6848(4) 0.5774(3) 0.0638(14) Uani 1 1 d . . . C 1
C64 C 0.5927(5) 0.7458(3) 0.5320(2) 0.0631(14) Uani 1 1 d . . . C 1
C65 C 0.5731(3) 0.8398(4) 0.5251(2) 0.0542(11) Uani 1 1 d . . . C 1
C66 C 0.6436(3) 0.8950(3) 0.52824(19) 0.0503(10) Uani 1 1 d . . . C 1
C67 C 0.6821(4) 0.7083(4) 0.5439(2) 0.0585(12) Uani 1 1 d . . . C 1
C68 C 0.8095(3) 0.8756(4) 0.7811(3) 0.0650(14) Uani 1 1 d . . . C 1
C69 C 0.7440(4) 0.9183(4) 0.8425(3) 0.0627(13) Uani 1 1 d . . . C 1
C70 C 0.7036(4) 0.9925(3) 0.8020(3) 0.0618(13) Uani 1 1 d . . . C 1
C71 C 0.6116(4) 1.0186(3) 0.8342(3) 0.0604(13) Uani 1 1 d . . . C 1
C72 C 0.5612(4) 0.9739(3) 0.9076(3) 0.0539(11) Uani 1 1 d . . . C 1
C73 C 0.6000(4) 0.9003(4) 0.9478(3) 0.0606(13) Uani 1 1 d . . . C 1
C74 C 0.6942(4) 0.8698(4) 0.9140(3) 0.0636(14) Uani 1 1 d . . . C 1
C75 C 0.7145(4) 0.7787(4) 0.9256(3) 0.0645(14) Uani 1 1 d . . . C 1
C76 C 0.6403(4) 0.7175(4) 0.9690(2) 0.0618(14) Uani 1 1 d . . . C 1
C77 C 0.5443(4) 0.7461(4) 0.9996(2) 0.0559(11) Uani 1 1 d . . . C 1
C78 C 0.5246(4) 0.8380(3) 0.9906(2) 0.0607(13) Uani 1 1 d . . . C 1
C79 C 0.7790(3) 0.7363(4) 0.8657(3) 0.0631(14) Uani 1 1 d . . . C 1
C80 C 0.8265(3) 0.7855(4) 0.7901(3) 0.0563(12) Uani 1 1 d . . . C 1
Ni1P Ni 0.92661(2) 0.54071(2) 0.58047(2) 0.01408(10) Uani 1 1 d . . . D 1
N1P N 0.88573(13) 0.56874(14) 0.48251(12) 0.0167(4) Uani 1 1 d . . . D 1
N2P N 1.00264(13) 0.64608(14) 0.55099(12) 0.0158(4) Uani 1 1 d . . . D 1
N3P N 0.96331(14) 0.51542(15) 0.68045(12) 0.0181(4) Uani 1 1 d . . . D 1
N4P N 0.84624(14) 0.43824(15) 0.61187(12) 0.0179(4) Uani 1 1 d . . . D 1
C1P C 0.82325(16) 0.52400(17) 0.45770(14) 0.0180(4) Uani 1 1 d . . . D 1
C2P C 0.80741(17) 0.56835(18) 0.38367(15) 0.0214(5) Uani 1 1 d . . . D 1
C3P C 0.86071(18) 0.64109(19) 0.36303(15) 0.0216(5) Uani 1 1 d . . . D 1
C4P C 0.90940(17) 0.64002(17) 0.42424(14) 0.0185(4) Uani 1 1 d . . . D 1
C5P C 0.97042(17) 0.70386(17) 0.42394(14) 0.0196(4) Uani 1 1 d . . . D 1
H5P H 0.984453 0.748630 0.379533 0.023 Uiso 1 1 calc R U . D 1
C6P C 1.01243(16) 0.70673(17) 0.48432(14) 0.0179(4) Uani 1 1 d . . . D 1
C7P C 1.07177(17) 0.77765(18) 0.48482(16) 0.0216(5) Uani 1 1 d . . . D 1
C8P C 1.09892(16) 0.75938(18) 0.55334(16) 0.0216(5) Uani 1 1 d . . . D 1
C9P C 1.05627(15) 0.67756(17) 0.59333(14) 0.0177(4) Uani 1 1 d . . . D 1
C10P C 1.06718(16) 0.63784(18) 0.66572(14) 0.0192(4) Uani 1 1 d . . . D 1
H10P H 1.108205 0.663851 0.688631 0.023 Uiso 1 1 calc R U . D 1
C11P C 1.02225(16) 0.56288(18) 0.70669(14) 0.0191(4) Uani 1 1 d . . . D 1
C12P C 1.02869(18) 0.5257(2) 0.78524(15) 0.0258(5) Uani 1 1 d . . . D 1
C13P C 0.97253(19) 0.4548(2) 0.80710(16) 0.0289(6) Uani 1 1 d . . . D 1
C14P C 0.93295(17) 0.4485(2) 0.74179(15) 0.0234(5) Uani 1 1 d . . . D 1
C15P C 0.87163(19) 0.3850(2) 0.74185(16) 0.0258(5) Uani 1 1 d . . . D 1
H15P H 0.856197 0.341240 0.786970 0.031 Uiso 1 1 calc R U . D 1
C16P C 0.83111(17) 0.38048(18) 0.68112(15) 0.0217(5) Uani 1 1 d . . . D 1
C17P C 0.76556(18) 0.31354(18) 0.68230(17) 0.0241(5) Uani 1 1 d . . . D 1
C18P C 0.74142(17) 0.33069(18) 0.61280(17) 0.0231(5) Uani 1 1 d . . . D 1
C19P C 0.79075(16) 0.40829(17) 0.57006(15) 0.0188(4) Uani 1 1 d . . . D 1
C20P C 0.78003(16) 0.44818(17) 0.49778(15) 0.0197(4) Uani 1 1 d . . . D 1
H20P H 0.740197 0.421465 0.474217 0.024 Uiso 1 1 calc R U . D 1
C21P C 0.73862(19) 0.5403(2) 0.34396(17) 0.0270(5) Uani 1 1 d . . . D 1
H21A H 0.740340 0.475373 0.348630 0.032 Uiso 1 1 calc R U . D 1
H21B H 0.757251 0.564050 0.286950 0.032 Uiso 1 1 calc R U . D 1
C22P C 0.6384(2) 0.5721(3) 0.3805(3) 0.0427(9) Uani 1 1 d . . . D 1
H22A H 0.595489 0.552889 0.352891 0.064 Uiso 1 1 calc R U . D 1
H22B H 0.636327 0.636409 0.375333 0.064 Uiso 1 1 calc R U . D 1
H22C H 0.619213 0.547525 0.436630 0.064 Uiso 1 1 calc R U . D 1
C23P C 0.8664(2) 0.7125(2) 0.29437(17) 0.0307(6) Uani 1 1 d . . . D 1
H23A H 0.847132 0.689248 0.251992 0.037 Uiso 1 1 calc R U . D 1
H23B H 0.932418 0.731103 0.272978 0.037 Uiso 1 1 calc R U . D 1
C24P C 0.8034(3) 0.7925(3) 0.3176(2) 0.0440(8) Uani 1 1 d . . . D 1
H24A H 0.809754 0.837646 0.271169 0.066 Uiso 1 1 calc R U . D 1
H24B H 0.822645 0.816192 0.359123 0.066 Uiso 1 1 calc R U . D 1
H24C H 0.737682 0.774790 0.337319 0.066 Uiso 1 1 calc R U . D 1
C25P C 1.0932(2) 0.8559(2) 0.42213(19) 0.0302(6) Uani 1 1 d . . . D 1
H25A H 1.113845 0.835640 0.369615 0.036 Uiso 1 1 calc R U . D 1
H25B H 1.146043 0.887414 0.429426 0.036 Uiso 1 1 calc R U . D 1
C26P C 1.0098(3) 0.9193(2) 0.4233(2) 0.0379(7) Uani 1 1 d . . . D 1
H26A H 1.028895 0.970523 0.383019 0.057 Uiso 1 1 calc R U . D 1
H26B H 0.987733 0.938368 0.475633 0.057 Uiso 1 1 calc R U . D 1
H26C H 0.958851 0.889918 0.412007 0.057 Uiso 1 1 calc R U . D 1
C27P C 1.1579(2) 0.8124(2) 0.5853(2) 0.0298(6) Uani 1 1 d . . . D 1
H27A H 1.195127 0.853788 0.541253 0.036 Uiso 1 1 calc R U . D 1
H27B H 1.202623 0.772575 0.607616 0.036 Uiso 1 1 calc R U . D 1
C28P C 1.0991(3) 0.8645(3) 0.6495(3) 0.0498(11) Uani 1 1 d . . . D 1
H28A H 1.056419 0.905792 0.627149 0.075 Uiso 1 1 calc R U . D 1
H28B H 1.140976 0.897049 0.669022 0.075 Uiso 1 1 calc R U . D 1
H28C H 1.062184 0.823858 0.693355 0.075 Uiso 1 1 calc R U . D 1
C29P C 1.0833(2) 0.5643(3) 0.83183(17) 0.0332(7) Uani 1 1 d . . . D 1
H29A H 1.145597 0.581830 0.796674 0.040 Uiso 1 1 calc R U . D 1
H29B H 1.093898 0.518789 0.874754 0.040 Uiso 1 1 calc R U . D 1
C30P C 1.0335(3) 0.6442(3) 0.8681(2) 0.0513(10) Uani 1 1 d . . . D 1
H30A H 1.018026 0.687580 0.826536 0.077 Uiso 1 1 calc R U . D 1
H30B H 1.075176 0.670367 0.892861 0.077 Uiso 1 1 calc R U . D 1
H30C H 0.975585 0.625821 0.908209 0.077 Uiso 1 1 calc R U . D 1
C31P C 0.9492(2) 0.3955(3) 0.8850(2) 0.0461(10) Uani 1 1 d . . . D 1
H31A H 1.001690 0.395175 0.910236 0.055 Uiso 1 1 calc R U . D 1
H31B H 0.942653 0.334842 0.875555 0.055 Uiso 1 1 calc R U . D 1
C32P C 0.8580(3) 0.4248(5) 0.9412(2) 0.081(2) Uani 1 1 d . . . D 1
H32A H 0.805900 0.425158 0.916503 0.122 Uiso 1 1 calc R U . D 1
H32B H 0.865116 0.484026 0.952338 0.122 Uiso 1 1 calc R U . D 1
H32C H 0.844760 0.383975 0.990837 0.122 Uiso 1 1 calc R U . D 1
C33P C 0.7304(2) 0.2424(2) 0.74980(19) 0.0350(7) Uani 1 1 d . . . D 1
H33A H 0.781514 0.223386 0.775775 0.042 Uiso 1 1 calc R U . D 1
H33B H 0.713851 0.191310 0.728871 0.042 Uiso 1 1 calc R U . D 1
C34P C 0.6453(4) 0.2712(3) 0.8108(2) 0.0573(12) Uani 1 1 d . . . D 1
H34A H 0.591533 0.281663 0.787530 0.086 Uiso 1 1 calc R U . D 1
H34B H 0.659038 0.325506 0.827637 0.086 Uiso 1 1 calc R U . D 1
H34C H 0.630231 0.225159 0.856630 0.086 Uiso 1 1 calc R U . D 1
C35P C 0.6761(2) 0.2805(2) 0.58403(19) 0.0296(6) Uani 1 1 d . . . D 1
H35A H 0.676940 0.218216 0.608305 0.036 Uiso 1 1 calc R U . D 1
H35B H 0.699642 0.282433 0.525937 0.036 Uiso 1 1 calc R U . D 1
C36P C 0.5753(2) 0.3163(3) 0.6035(2) 0.0471(9) Uani 1 1 d . . . D 1
H36A H 0.536005 0.280584 0.584128 0.071 Uiso 1 1 calc R U . D 1
H36B H 0.573585 0.377213 0.577958 0.071 Uiso 1 1 calc R U . D 1
H36C H 0.551318 0.314059 0.660982 0.071 Uiso 1 1 calc R U . D 1
C1S C 0.7327(3) 0.6217(3) 1.1154(2) 0.0434(8) Uani 1 1 d . . . E 1
H1S H 0.731690 0.561202 1.110625 0.052 Uiso 1 1 calc R U . E 1
C2S C 0.6557(3) 0.6613(3) 1.1632(2) 0.0467(8) Uani 1 1 d . . . E 1
H2S H 0.602732 0.626978 1.191135 0.056 Uiso 1 1 calc R U . E 1
C3S C 0.6540(4) 0.7473(3) 1.1713(3) 0.0526(10) Uani 1 1 d . . . E 1
H3S H 0.600357 0.773410 1.203590 0.063 Uiso 1 1 calc R U . E 1
C4S C 0.7329(4) 0.7970(3) 1.1310(4) 0.0601(12) Uani 1 1 d . . . E 1
H4S H 0.733695 0.857287 1.136507 0.072 Uiso 1 1 calc R U . E 1
C5S C 0.8099(3) 0.7584(3) 1.0832(3) 0.0578(12) Uani 1 1 d . . . E 1
H5S H 0.863461 0.792133 1.055559 0.069 Uiso 1 1 calc R U . E 1
C6S C 0.8088(3) 0.6694(3) 1.0757(2) 0.0460(9) Uani 1 1 d . . . E 1
H6S H 0.861390 0.642699 1.042706 0.055 Uiso 1 1 calc R U . E 1
C7S C 1.0039(6) 1.0332(6) 0.7957(4) 0.140(5) Uani 1 1 d G . . F 1
H7S H 1.043879 1.038631 0.743404 0.168 Uiso 1 1 calc R U . F 1
C8S C 0.9358(6) 1.0979(5) 0.8175(5) 0.160(5) Uani 1 1 d G . . F 1
H8S H 0.929247 1.147558 0.780143 0.192 Uiso 1 1 calc R U . F 1
C9S C 0.8773(5) 1.0899(7) 0.8940(5) 0.173(6) Uani 1 1 d G . . F 1
H9S H 0.830759 1.134094 0.908909 0.208 Uiso 1 1 calc R U . F 1
C10S C 0.8869(6) 1.0172(8) 0.9487(4) 0.268(13) Uani 1 1 d G . . F 1
H10S H 0.846902 1.011702 1.000939 0.321 Uiso 1 1 calc R U . F 1
C11S C 0.9550(7) 0.9525(7) 0.9268(5) 0.283(14) Uani 1 1 d G . . F 1
H11S H 0.961533 0.902775 0.964202 0.339 Uiso 1 1 calc R U . F 1
C12S C 1.0135(6) 0.9605(5) 0.8503(6) 0.191(7) Uani 1 1 d G . . F 1
H12S H 1.060022 0.916238 0.835435 0.229 Uiso 1 1 calc R U . F 1


_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
Sc1 Sc4 0.672(8) . ?
Sc1 Sc9 0.704(6) . ?
Sc1 Sc13 1.184(14) . ?
Sc1 Sc14 1.452(19) . ?
Sc1 Sc15 1.83(2) . ?
Sc1 Sc7 2.826(5) . ?
Sc1 Sc3 2.906(6) . ?
Sc1 Sc10 3.250(11) . ?
Sc1 Sc11 3.350(13) . ?
Sc1 Sc12 3.364(7) . ?
Sc1 Sc6 3.498(7) . ?
Sc1 Sc5 3.550(6) . ?
Sc2 Sc6 0.888(7) . ?
Sc2 Sc8 1.185(7) . ?
Sc2 Sc10 1.434(13) . ?
Sc2 Sc5 2.820(8) . ?
Sc2 Sc12 2.954(7) . ?
Sc2 Sc11 3.090(14) . ?
Sc2 Sc13 3.286(10) . ?
Sc2 Sc3 3.447(5) . ?
Sc2 Sc14 3.452(13) . ?
Sc2 Sc7 3.595(5) . ?
Sc2 Sc9 3.651(4) . ?
Sc3 Sc12 0.793(6) . ?
Sc3 Sc7 0.855(6) . ?
Sc3 Sc5 1.308(9) . ?
Sc3 Sc11 1.416(15) . ?
Sc3 Sc15 2.438(16) . ?
Sc3 Sc4 2.613(10) . ?
Sc3 Sc9 3.332(6) . ?
Sc3 Sc14 3.494(15) . ?
Sc3 Sc13 3.543(10) . ?
Sc4 Sc9 1.286(10) . ?
Sc4 Sc13 1.458(15) . ?
Sc4 Sc14 2.03(2) . ?
Sc4 Sc15 2.19(2) . ?
Sc4 Sc7 2.726(9) . ?
Sc4 Sc12 3.066(10) . ?
Sc4 Sc11 3.315(15) . ?
Sc4 Sc10 3.377(13) . ?
Sc4 Sc5 3.418(9) . ?
Sc4 Sc6 3.472(9) . ?
Sc5 Sc11 0.616(13) . ?
Sc5 Sc12 0.912(9) . ?
Sc5 Sc7 1.252(9) . ?
Sc5 Sc15 2.666(17) . ?
Sc5 Sc8 3.131(9) . ?
Sc5 Sc6 3.395(9) . ?
Sc5 Sc10 3.591(11) . ?
Sc5 Sc14 3.629(15) . ?
Sc6 Sc10 0.802(11) . ?
Sc6 Sc8 1.201(10) . ?
Sc6 Sc13 2.728(13) . ?
Sc6 Sc14 3.091(15) . ?
Sc6 Sc9 3.227(7) . ?
Sc6 Sc12 3.432(8) . ?
Sc6 Sc11 3.590(13) . ?
Sc7 Sc11 0.959(16) . ?
Sc7 Sc12 1.353(8) . ?
Sc7 Sc15 1.836(17) . ?
Sc7 Sc14 3.166(16) . ?
Sc7 Sc9 3.171(6) . ?
Sc7 Sc13 3.527(11) . ?
Sc7 Sc8 3.694(7) . ?
Sc8 Sc10 0.913(12) . ?
Sc8 Sc14 2.792(16) . ?
Sc8 Sc13 2.967(12) . ?
Sc8 Sc11 3.176(14) . ?
Sc8 Sc9 3.236(7) . ?
Sc8 Sc15 3.409(16) . ?
Sc8 Sc12 3.479(9) . ?
Sc9 Sc13 0.777(13) . ?
Sc9 Sc14 0.874(18) . ?
Sc9 Sc15 1.912(19) . ?
Sc9 Sc10 2.842(12) . ?
Sc9 Sc11 3.532(12) . ?
Sc10 Sc13 2.393(16) . ?
Sc10 Sc14 2.557(18) . ?
Sc10 Sc15 3.528(18) . ?
Sc10 Sc11 3.653(14) . ?
Sc11 Sc12 1.353(15) . ?
Sc11 Sc15 2.20(2) . ?
Sc11 Sc14 3.332(19) . ?
Sc12 Sc15 2.910(16) . ?
Sc13 Sc14 1.31(2) . ?
Sc13 Sc15 2.53(2) . ?
Sc14 Sc15 1.68(2) . ?
C1 C45 1.364(8) . ?
C1 C2 1.471(7) . ?
C1 C5 1.477(8) . ?
C2 C42 1.403(8) . ?
C2 C3 1.406(8) . ?
C3 C80 1.420(7) . ?
C3 C4 1.462(7) . ?
C4 C9 1.379(8) . ?
C4 C5 1.423(8) . ?
C5 C6 1.426(7) . ?
C6 C7 1.434(8) . ?
C6 C67 1.441(8) . ?
C7 C8 1.406(7) . ?
C7 C66 1.474(7) . ?
C8 C13 1.393(8) . ?
C8 C9 1.473(7) . ?
C9 C10 1.388(7) . ?
C10 C68 1.419(7) . ?
C10 C11 1.434(8) . ?
C11 C12 1.390(8) . ?
C11 C70 1.407(7) . ?
C12 C13 1.419(7) . ?
C12 C17 1.421(8) . ?
C13 C14 1.444(7) . ?
C14 C15 1.419(7) . ?
C14 C66 1.437(7) . ?
C15 C59 1.402(7) . ?
C15 C16 1.444(7) . ?
C16 C20 1.421(8) . ?
C16 C17 1.438(8) . ?
C17 C18 1.406(7) . ?
C18 C19 1.428(8) . ?
C18 C71 1.437(8) . ?
C19 C24 1.438(8) . ?
C19 C20 1.473(8) . ?
C20 C21 1.423(9) . ?
C21 C22 1.426(8) . ?
C21 C58 1.437(7) . ?
C22 C55 1.433(9) . ?
C22 C23 1.482(8) . ?
C23 C24 1.397(8) . ?
C23 C28 1.460(9) . ?
C24 C25 1.385(8) . ?
C25 C72 1.437(8) . ?
C25 C26 1.495(8) . ?
C26 C27 1.396(8) . ?
C26 C78 1.420(8) . ?
C27 C32 1.439(8) . ?
C27 C28 1.442(8) . ?
C28 C29 1.442(9) . ?
C29 C30 1.406(9) . ?
C29 C55 1.465(8) . ?
C30 C54 1.365(9) . ?
C30 C31 1.477(9) . ?
C31 C32 1.395(8) . ?
C31 C35 1.423(9) . ?
C32 C33 1.453(7) . ?
C33 C77 1.381(7) . ?
C33 C34 1.458(8) . ?
C34 C39 1.424(8) . ?
C34 C35 1.439(8) . ?
C35 C36 1.419(8) . ?
C36 C50 1.381(10) . ?
C36 C37 1.418(10) . ?
C37 C49 1.437(9) . ?
C37 C38 1.456(9) . ?
C38 C43 1.421(9) . ?
C38 C39 1.436(8) . ?
C39 C40 1.413(9) . ?
C40 C41 1.443(8) . ?
C40 C76 1.477(8) . ?
C41 C79 1.427(9) . ?
C41 C42 1.436(7) . ?
C42 C43 1.434(10) . ?
C43 C44 1.470(9) . ?
C44 C49 1.411(9) . ?
C44 C45 1.423(8) . ?
C45 C46 1.398(8) . ?
C46 C67 1.491(9) . ?
C46 C47 1.499(9) . ?
C47 C63 1.408(8) . ?
C47 C48 1.419(8) . ?
C48 C51 1.379(9) . ?
C48 C49 1.464(9) . ?
C50 C51 1.397(9) . ?
C50 C54 1.466(10) . ?
C51 C52 1.443(10) . ?
C52 C62 1.426(9) . ?
C52 C53 1.484(9) . ?
C53 C56 1.370(9) . ?
C53 C54 1.438(9) . ?
C55 C56 1.439(8) . ?
C56 C57 1.424(7) . ?
C57 C61 1.434(7) . ?
C57 C58 1.441(8) . ?
C58 C59 1.433(7) . ?
C59 C60 1.489(8) . ?
C60 C65 1.398(7) . ?
C60 C61 1.461(8) . ?
C61 C62 1.391(8) . ?
C62 C63 1.454(8) . ?
C63 C64 1.480(8) . ?
C64 C65 1.451(7) . ?
C64 C67 1.459(8) . ?
C65 C66 1.402(7) . ?
C68 C80 1.388(8) . ?
C68 C69 1.456(8) . ?
C69 C74 1.408(8) . ?
C69 C70 1.437(8) . ?
C70 C71 1.383(8) . ?
C71 C72 1.411(7) . ?
C72 C73 1.416(8) . ?
C73 C74 1.437(8) . ?
C73 C78 1.482(8) . ?
C74 C75 1.412(8) . ?
C75 C79 1.431(8) . ?
C75 C76 1.463(8) . ?
C76 C77 1.440(7) . ?
C77 C78 1.420(7) . ?
C79 C80 1.454(7) . ?
Ni1P N4P 1.957(2) . ?
Ni1P N2P 1.957(2) . ?
Ni1P N3P 1.962(2) . ?
Ni1P N1P 1.962(2) . ?
N1P C4P 1.380(3) . ?
N1P C1P 1.381(3) . ?
N2P C6P 1.370(3) . ?
N2P C9P 1.378(3) . ?
N3P C14P 1.379(3) . ?
N3P C11P 1.381(3) . ?
N4P C16P 1.375(3) . ?
N4P C19P 1.380(3) . ?
C1P C20P 1.370(4) . ?
C1P C2P 1.452(4) . ?
C2P C3P 1.358(4) . ?
C2P C21P 1.496(3) . ?
C3P C4P 1.448(3) . ?
C3P C23P 1.498(4) . ?
C4P C5P 1.374(3) . ?
C5P C6P 1.378(3) . ?
C6P C7P 1.446(3) . ?
C7P C8P 1.360(4) . ?
C7P C25P 1.497(4) . ?
C8P C9P 1.442(4) . ?
C8P C27P 1.496(3) . ?
C9P C10P 1.378(3) . ?
C10P C11P 1.373(4) . ?
C11P C12P 1.446(3) . ?
C12P C13P 1.358(4) . ?
C12P C29P 1.499(4) . ?
C13P C14P 1.445(4) . ?
C13P C31P 1.502(4) . ?
C14P C15P 1.374(4) . ?
C15P C16P 1.374(4) . ?
C16P C17P 1.453(4) . ?
C17P C18P 1.353(4) . ?
C17P C33P 1.496(4) . ?
C18P C19P 1.440(3) . ?
C18P C35P 1.504(4) . ?
C19P C20P 1.376(4) . ?
C21P C22P 1.528(4) . ?
C23P C24P 1.534(5) . ?
C25P C26P 1.518(5) . ?
C27P C28P 1.534(5) . ?
C29P C30P 1.529(6) . ?
C31P C32P 1.532(7) . ?
C33P C34P 1.512(5) . ?
C35P C36P 1.520(5) . ?
C1S C6S 1.350(6) . ?
C1S C2S 1.391(6) . ?
C2S C3S 1.352(6) . ?
C3S C4S 1.398(8) . ?
C4S C5S 1.383(8) . ?
C5S C6S 1.399(7) . ?
C7S C8S 1.3900 . ?
C7S C12S 1.3900 . ?
C8S C9S 1.3900 . ?
C9S C10S 1.3900 . ?
C10S C11S 1.3900 . ?
C11S C12S 1.3900 . ?

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
Sc4 Sc1 Sc9 138.3(13) . . ?
Sc4 Sc1 Sc13 99.8(13) . . ?
Sc9 Sc1 Sc13 39.1(7) . . ?
Sc4 Sc1 Sc14 143.5(10) . . ?
Sc9 Sc1 Sc14 25.8(9) . . ?
Sc13 Sc1 Sc14 58.3(10) . . ?
Sc4 Sc1 Sc15 113.9(10) . . ?
Sc9 Sc1 Sc15 86.1(11) . . ?
Sc13 Sc1 Sc15 112.8(10) . . ?
Sc14 Sc1 Sc15 60.4(9) . . ?
Sc4 Sc1 Sc7 74.6(8) . . ?
Sc9 Sc1 Sc7 113.2(6) . . ?
Sc13 Sc1 Sc7 117.1(5) . . ?
Sc14 Sc1 Sc7 89.5(6) . . ?
Sc15 Sc1 Sc7 39.6(5) . . ?
Sc4 Sc1 Sc3 58.0(8) . . ?
Sc9 Sc1 Sc3 121.9(5) . . ?
Sc13 Sc1 Sc3 113.2(5) . . ?
Sc14 Sc1 Sc3 101.3(6) . . ?
Sc15 Sc1 Sc3 56.6(5) . . ?
Sc7 Sc1 Sc3 17.08(13) . . ?
Sc4 Sc1 Sc10 95.1(8) . . ?
Sc9 Sc1 Sc10 49.4(4) . . ?
Sc13 Sc1 Sc10 35.9(5) . . ?
Sc14 Sc1 Sc10 49.5(6) . . ?
Sc15 Sc1 Sc10 83.0(6) . . ?
Sc7 Sc1 Sc10 81.5(2) . . ?
Sc3 Sc1 Sc10 80.5(2) . . ?
Sc4 Sc1 Sc11 81.3(8) . . ?
Sc9 Sc1 Sc11 99.2(6) . . ?
Sc13 Sc1 Sc11 103.0(5) . . ?
Sc14 Sc1 Sc11 76.8(6) . . ?
Sc15 Sc1 Sc11 37.4(5) . . ?
Sc7 Sc1 Sc11 15.0(3) . . ?
Sc3 Sc1 Sc11 24.9(3) . . ?
Sc10 Sc1 Sc11 67.2(3) . . ?
Sc4 Sc1 Sc12 58.4(7) . . ?
Sc9 Sc1 Sc12 112.7(4) . . ?
Sc13 Sc1 Sc12 101.3(5) . . ?
Sc14 Sc1 Sc12 95.0(6) . . ?
Sc15 Sc1 Sc12 59.8(5) . . ?
Sc7 Sc1 Sc12 23.23(14) . . ?
Sc3 Sc1 Sc12 11.89(12) . . ?
Sc10 Sc1 Sc12 68.9(3) . . ?
Sc11 Sc1 Sc12 23.3(3) . . ?
Sc4 Sc1 Sc6 82.3(8) . . ?
Sc9 Sc1 Sc6 62.0(4) . . ?
Sc13 Sc1 Sc6 41.6(5) . . ?
Sc14 Sc1 Sc6 61.9(6) . . ?
Sc15 Sc1 Sc6 86.4(5) . . ?
Sc7 Sc1 Sc6 76.13(17) . . ?
Sc3 Sc1 Sc6 71.84(18) . . ?
Sc10 Sc1 Sc6 13.0(2) . . ?
Sc11 Sc1 Sc6 63.2(3) . . ?
Sc12 Sc1 Sc6 59.98(19) . . ?
Sc4 Sc1 Sc5 73.2(7) . . ?
Sc9 Sc1 Sc5 101.5(5) . . ?
Sc13 Sc1 Sc5 98.8(5) . . ?
Sc14 Sc1 Sc5 81.4(6) . . ?
Sc15 Sc1 Sc5 47.1(5) . . ?
Sc7 Sc1 Sc5 18.57(16) . . ?
Sc3 Sc1 Sc5 20.41(15) . . ?
Sc10 Sc1 Sc5 63.6(3) . . ?
Sc11 Sc1 Sc5 9.7(2) . . ?
Sc12 Sc1 Sc5 14.84(15) . . ?
Sc6 Sc1 Sc5 57.58(19) . . ?
Sc6 Sc2 Sc8 69.1(7) . . ?
Sc6 Sc2 Sc10 30.1(7) . . ?
Sc8 Sc2 Sc10 39.4(5) . . ?
Sc6 Sc2 Sc5 123.8(4) . . ?
Sc8 Sc2 Sc5 93.8(4) . . ?
Sc10 Sc2 Sc5 110.9(4) . . ?
Sc6 Sc2 Sc12 115.5(4) . . ?
Sc8 Sc2 Sc12 106.3(3) . . ?
Sc10 Sc2 Sc12 112.5(4) . . ?
Sc5 Sc2 Sc12 17.97(17) . . ?
Sc6 Sc2 Sc11 117.7(4) . . ?
Sc8 Sc2 Sc11 83.2(4) . . ?
Sc10 Sc2 Sc11 101.3(5) . . ?
Sc5 Sc2 Sc11 10.8(2) . . ?
Sc12 Sc2 Sc11 25.7(3) . . ?
Sc6 Sc2 Sc13 44.8(4) . . ?
Sc8 Sc2 Sc13 64.1(4) . . ?
Sc10 Sc2 Sc13 40.9(5) . . ?
Sc5 Sc2 Sc13 79.2(3) . . ?
Sc12 Sc2 Sc13 74.3(3) . . ?
Sc11 Sc2 Sc13 73.0(4) . . ?
Sc6 Sc2 Sc3 105.8(4) . . ?
Sc8 Sc2 Sc3 98.1(3) . . ?
Sc10 Sc2 Sc3 101.3(4) . . ?
Sc5 Sc2 Sc3 21.21(16) . . ?
Sc12 Sc2 Sc3 11.18(10) . . ?
Sc11 Sc2 Sc3 24.2(3) . . ?
Sc13 Sc2 Sc3 63.4(2) . . ?
Sc6 Sc2 Sc14 59.1(5) . . ?
Sc8 Sc2 Sc14 47.6(4) . . ?
Sc10 Sc2 Sc14 41.4(4) . . ?
Sc5 Sc2 Sc14 69.9(3) . . ?
Sc12 Sc2 Sc14 71.8(3) . . ?
Sc11 Sc2 Sc14 61.0(4) . . ?
Sc13 Sc2 Sc14 22.2(4) . . ?
Sc3 Sc2 Sc14 60.9(3) . . ?
Sc6 Sc2 Sc7 106.1(3) . . ?
Sc8 Sc2 Sc7 85.4(3) . . ?
Sc10 Sc2 Sc7 94.7(4) . . ?
Sc5 Sc2 Sc7 17.77(15) . . ?
Sc12 Sc2 Sc7 21.08(13) . . ?
Sc11 Sc2 Sc7 14.0(3) . . ?
Sc13 Sc2 Sc7 61.5(2) . . ?
Sc3 Sc2 Sc7 13.73(11) . . ?
Sc14 Sc2 Sc7 53.3(3) . . ?
Sc6 Sc2 Sc9 55.2(3) . . ?
Sc8 Sc2 Sc9 60.5(3) . . ?
Sc10 Sc2 Sc9 45.7(4) . . ?
Sc5 Sc2 Sc9 69.58(17) . . ?
Sc12 Sc2 Sc9 67.05(16) . . ?
Sc11 Sc2 Sc9 62.5(3) . . ?
Sc13 Sc2 Sc9 11.4(2) . . ?
Sc3 Sc2 Sc9 55.90(13) . . ?
Sc14 Sc2 Sc9 13.8(3) . . ?
Sc7 Sc2 Sc9 51.90(11) . . ?
Sc12 Sc3 Sc7 110.4(8) . . ?
Sc12 Sc3 Sc5 43.3(6) . . ?
Sc7 Sc3 Sc5 67.0(6) . . ?
Sc12 Sc3 Sc11 69.0(8) . . ?
Sc7 Sc3 Sc11 41.3(7) . . ?
Sc5 Sc3 Sc11 25.8(6) . . ?
Sc12 Sc3 Sc15 119.4(7) . . ?
Sc7 Sc3 Sc15 37.6(6) . . ?
Sc5 Sc3 Sc15 85.1(6) . . ?
Sc11 Sc3 Sc15 63.2(8) . . ?
Sc12 Sc3 Sc4 118.0(5) . . ?
Sc7 Sc3 Sc4 88.4(5) . . ?
Sc5 Sc3 Sc4 117.4(4) . . ?
Sc11 Sc3 Sc4 107.0(6) . . ?
Sc15 Sc3 Sc4 51.2(5) . . ?
Sc12 Sc3 Sc1 119.1(5) . . ?
Sc7 Sc3 Sc1 76.2(5) . . ?
Sc5 Sc3 Sc1 108.8(4) . . ?
Sc11 Sc3 Sc1 95.4(6) . . ?
Sc15 Sc3 Sc1 38.7(5) . . ?
Sc4 Sc3 Sc1 12.59(18) . . ?
Sc12 Sc3 Sc9 111.2(4) . . ?
Sc7 Sc3 Sc9 71.8(4) . . ?
Sc5 Sc3 Sc9 98.5(3) . . ?
Sc11 Sc3 Sc9 86.1(5) . . ?
Sc15 Sc3 Sc9 34.5(4) . . ?
Sc4 Sc3 Sc9 20.8(2) . . ?
Sc1 Sc3 Sc9 10.34(13) . . ?
Sc12 Sc3 Sc2 46.2(4) . . ?
Sc7 Sc3 Sc2 93.0(4) . . ?
Sc5 Sc3 Sc2 51.3(3) . . ?
Sc11 Sc3 Sc2 63.6(6) . . ?
Sc15 Sc3 Sc2 79.3(4) . . ?
Sc4 Sc3 Sc2 75.6(2) . . ?
Sc1 Sc3 Sc2 73.66(13) . . ?
Sc9 Sc3 Sc2 65.14(12) . . ?
Sc12 Sc3 Sc14 105.1(5) . . ?
Sc7 Sc3 Sc14 60.7(4) . . ?
Sc5 Sc3 Sc14 85.3(4) . . ?
Sc11 Sc3 Sc14 71.7(6) . . ?
Sc15 Sc3 Sc14 25.9(5) . . ?
Sc4 Sc3 Sc14 35.3(4) . . ?
Sc1 Sc3 Sc14 24.1(3) . . ?
Sc9 Sc3 Sc14 14.5(3) . . ?
Sc2 Sc3 Sc14 59.6(3) . . ?
Sc12 Sc3 Sc13 101.2(5) . . ?
Sc7 Sc3 Sc13 82.0(4) . . ?
Sc5 Sc3 Sc13 96.4(3) . . ?
Sc11 Sc3 Sc13 89.2(5) . . ?
Sc15 Sc3 Sc13 45.6(5) . . ?
Sc4 Sc3 Sc13 21.2(2) . . ?
Sc1 Sc3 Sc13 17.9(2) . . ?
Sc9 Sc3 Sc13 12.5(2) . . ?
Sc2 Sc3 Sc13 56.1(2) . . ?
Sc14 Sc3 Sc13 21.4(4) . . ?
Sc1 Sc4 Sc9 21.4(7) . . ?
Sc1 Sc4 Sc13 53.2(11) . . ?
Sc9 Sc4 Sc13 32.1(5) . . ?
Sc1 Sc4 Sc14 25.1(7) . . ?
Sc9 Sc4 Sc14 16.2(5) . . ?
Sc13 Sc4 Sc14 39.8(8) . . ?
Sc1 Sc4 Sc15 49.8(8) . . ?
Sc9 Sc4 Sc15 60.4(6) . . ?
Sc13 Sc4 Sc15 85.6(8) . . ?
Sc14 Sc4 Sc15 46.8(7) . . ?
Sc1 Sc4 Sc3 109.4(8) . . ?
Sc9 Sc4 Sc3 113.0(4) . . ?
Sc13 Sc4 Sc3 118.3(5) . . ?
Sc14 Sc4 Sc3 96.8(5) . . ?
Sc15 Sc4 Sc3 60.3(5) . . ?
Sc1 Sc4 Sc7 91.7(8) . . ?
Sc9 Sc4 Sc7 98.0(4) . . ?
Sc13 Sc4 Sc7 111.3(5) . . ?
Sc14 Sc4 Sc7 82.0(5) . . ?
Sc15 Sc4 Sc7 42.1(5) . . ?
Sc3 Sc4 Sc7 18.27(14) . . ?
Sc1 Sc4 Sc12 110.8(8) . . ?
Sc9 Sc4 Sc12 109.2(4) . . ?
Sc13 Sc4 Sc12 107.9(5) . . ?
Sc14 Sc4 Sc12 93.5(5) . . ?
Sc15 Sc4 Sc12 64.8(5) . . ?
Sc3 Sc4 Sc12 13.20(14) . . ?
Sc7 Sc4 Sc12 26.19(17) . . ?
Sc1 Sc4 Sc11 87.2(8) . . ?
Sc9 Sc4 Sc11 88.8(4) . . ?
Sc13 Sc4 Sc11 97.7(5) . . ?
Sc14 Sc4 Sc11 72.7(5) . . ?
Sc15 Sc4 Sc11 41.0(5) . . ?
Sc3 Sc4 Sc11 24.1(3) . . ?
Sc7 Sc4 Sc11 14.5(3) . . ?
Sc12 Sc4 Sc11 24.1(3) . . ?
Sc1 Sc4 Sc10 73.4(8) . . ?
Sc9 Sc4 Sc10 55.0(4) . . ?
Sc13 Sc4 Sc10 37.6(5) . . ?
Sc14 Sc4 Sc10 49.1(5) . . ?
Sc15 Sc4 Sc10 75.3(5) . . ?
Sc3 Sc4 Sc10 82.3(3) . . ?
Sc7 Sc4 Sc10 80.6(3) . . ?
Sc12 Sc4 Sc10 70.9(3) . . ?
Sc11 Sc4 Sc10 66.2(3) . . ?
Sc1 Sc4 Sc5 95.9(8) . . ?
Sc9 Sc4 Sc5 95.0(4) . . ?
Sc13 Sc4 Sc5 98.6(5) . . ?
Sc14 Sc4 Sc5 79.0(5) . . ?
Sc15 Sc4 Sc5 51.2(4) . . ?
Sc3 Sc4 Sc5 19.87(16) . . ?
Sc7 Sc4 Sc5 19.70(17) . . ?
Sc12 Sc4 Sc5 14.93(15) . . ?
Sc11 Sc4 Sc5 10.4(2) . . ?
Sc10 Sc4 Sc5 63.8(3) . . ?
Sc1 Sc4 Sc6 86.6(8) . . ?
Sc9 Sc4 Sc6 68.4(4) . . ?
Sc13 Sc4 Sc6 48.3(5) . . ?
Sc14 Sc4 Sc6 62.0(5) . . ?
Sc15 Sc4 Sc6 82.2(4) . . ?
Sc3 Sc4 Sc6 75.5(2) . . ?
Sc7 Sc4 Sc6 77.8(2) . . ?
Sc12 Sc4 Sc6 63.0(2) . . ?
Sc11 Sc4 Sc6 63.8(3) . . ?
Sc10 Sc4 Sc6 13.35(19) . . ?
Sc5 Sc4 Sc6 59.0(2) . . ?
Sc11 Sc5 Sc12 123(2) . . ?
Sc11 Sc5 Sc7 48.2(18) . . ?
Sc12 Sc5 Sc7 75.6(7) . . ?
Sc11 Sc5 Sc3 87.0(19) . . ?
Sc12 Sc5 Sc3 36.7(5) . . ?
Sc7 Sc5 Sc3 38.9(4) . . ?
Sc11 Sc5 Sc15 36.2(14) . . ?
Sc12 Sc5 Sc15 96.3(7) . . ?
Sc7 Sc5 Sc15 37.4(5) . . ?
Sc3 Sc5 Sc15 65.7(5) . . ?
Sc11 Sc5 Sc2 110.5(15) . . ?
Sc12 Sc5 Sc2 89.4(7) . . ?
Sc7 Sc5 Sc2 118.8(3) . . ?
Sc3 Sc5 Sc2 107.5(4) . . ?
Sc15 Sc5 Sc2 88.7(4) . . ?
Sc11 Sc5 Sc8 88.6(15) . . ?
Sc12 Sc5 Sc8 104.9(6) . . ?
Sc7 Sc5 Sc8 106.8(4) . . ?
Sc3 Sc5 Sc8 110.9(3) . . ?
Sc15 Sc5 Sc8 71.5(4) . . ?
Sc2 Sc5 Sc8 22.19(13) . . ?
Sc11 Sc5 Sc6 103.6(14) . . ?
Sc12 Sc5 Sc6 84.7(6) . . ?
Sc7 Sc5 Sc6 106.3(3) . . ?
Sc3 Sc5 Sc6 97.2(4) . . ?
Sc15 Sc5 Sc6 77.7(4) . . ?
Sc2 Sc5 Sc6 12.56(11) . . ?
Sc8 Sc5 Sc6 20.71(19) . . ?
Sc11 Sc5 Sc4 75.3(15) . . ?
Sc12 Sc5 Sc4 60.1(5) . . ?
Sc7 Sc5 Sc4 47.2(3) . . ?
Sc3 Sc5 Sc4 42.7(3) . . ?
Sc15 Sc5 Sc4 39.8(4) . . ?
Sc2 Sc5 Sc4 73.7(2) . . ?
Sc8 Sc5 Sc4 69.7(2) . . ?
Sc6 Sc5 Sc4 61.3(2) . . ?
Sc11 Sc5 Sc1 66.2(14) . . ?
Sc12 Sc5 Sc1 70.9(5) . . ?
Sc7 Sc5 Sc1 45.9(3) . . ?
Sc3 Sc5 Sc1 50.8(3) . . ?
Sc15 Sc5 Sc1 30.1(4) . . ?
Sc2 Sc5 Sc1 72.97(14) . . ?
Sc8 Sc5 Sc1 64.84(19) . . ?
Sc6 Sc5 Sc1 60.43(16) . . ?
Sc4 Sc5 Sc1 10.85(14) . . ?
Sc11 Sc5 Sc10 90.8(14) . . ?
Sc12 Sc5 Sc10 92.6(5) . . ?
Sc7 Sc5 Sc10 98.7(4) . . ?
Sc3 Sc5 Sc10 97.8(4) . . ?
Sc15 Sc5 Sc10 66.8(4) . . ?
Sc2 Sc5 Sc10 21.9(2) . . ?
Sc8 Sc5 Sc10 13.5(2) . . ?
Sc6 Sc5 Sc10 12.78(17) . . ?
Sc4 Sc5 Sc10 57.5(3) . . ?
Sc1 Sc5 Sc10 54.1(2) . . ?
Sc11 Sc5 Sc14 56.9(12) . . ?
Sc12 Sc5 Sc14 92.5(5) . . ?
Sc7 Sc5 Sc14 58.8(4) . . ?
Sc3 Sc5 Sc14 73.7(4) . . ?
Sc15 Sc5 Sc14 25.6(4) . . ?
Sc2 Sc5 Sc14 63.3(3) . . ?
Sc8 Sc5 Sc14 48.1(3) . . ?
Sc6 Sc5 Sc14 52.1(3) . . ?
Sc4 Sc5 Sc14 33.4(3) . . ?
Sc1 Sc5 Sc14 23.3(3) . . ?
Sc10 Sc5 Sc14 41.5(3) . . ?
Sc10 Sc6 Sc2 116.1(14) . . ?
Sc10 Sc6 Sc8 49.4(11) . . ?
Sc2 Sc6 Sc8 67.2(7) . . ?
Sc10 Sc6 Sc13 57.3(10) . . ?
Sc2 Sc6 Sc13 122.0(5) . . ?
Sc8 Sc6 Sc13 89.3(6) . . ?
Sc10 Sc6 Sc14 42.4(8) . . ?
Sc2 Sc6 Sc14 106.6(5) . . ?
Sc8 Sc6 Sc14 64.5(5) . . ?
Sc13 Sc6 Sc14 25.0(4) . . ?
Sc10 Sc6 Sc9 54.8(9) . . ?
Sc2 Sc6 Sc9 111.8(4) . . ?
Sc8 Sc6 Sc9 79.7(4) . . ?
Sc13 Sc6 Sc9 11.5(3) . . ?
Sc14 Sc6 Sc9 15.7(3) . . ?
Sc10 Sc6 Sc5 97.7(9) . . ?
Sc2 Sc6 Sc5 43.7(3) . . ?
Sc8 Sc6 Sc5 67.2(5) . . ?
Sc13 Sc6 Sc5 78.6(3) . . ?
Sc14 Sc6 Sc5 67.9(3) . . ?
Sc9 Sc6 Sc5 69.03(18) . . ?
Sc10 Sc6 Sc12 106.9(8) . . ?
Sc2 Sc6 Sc12 51.0(4) . . ?
Sc8 Sc6 Sc12 82.2(4) . . ?
Sc13 Sc6 Sc12 74.7(3) . . ?
Sc14 Sc6 Sc12 70.6(3) . . ?
Sc9 Sc6 Sc12 67.30(17) . . ?
Sc5 Sc6 Sc12 15.33(15) . . ?
Sc10 Sc6 Sc4 76.5(9) . . ?
Sc2 Sc6 Sc4 102.9(4) . . ?
Sc8 Sc6 Sc4 93.8(4) . . ?
Sc13 Sc6 Sc4 23.5(3) . . ?
Sc14 Sc6 Sc4 35.5(4) . . ?
Sc9 Sc6 Sc4 21.74(17) . . ?
Sc5 Sc6 Sc4 59.7(2) . . ?
Sc12 Sc6 Sc4 52.7(2) . . ?
Sc10 Sc6 Sc1 65.6(9) . . ?
Sc2 Sc6 Sc1 105.6(4) . . ?
Sc8 Sc6 Sc1 85.1(4) . . ?
Sc13 Sc6 Sc1 16.8(2) . . ?
Sc14 Sc6 Sc1 24.5(4) . . ?
Sc9 Sc6 Sc1 11.11(10) . . ?
Sc5 Sc6 Sc1 61.99(15) . . ?
Sc12 Sc6 Sc1 58.08(16) . . ?
Sc4 Sc6 Sc1 11.06(14) . . ?
Sc10 Sc6 Sc11 88.1(9) . . ?
Sc2 Sc6 Sc11 49.7(4) . . ?
Sc8 Sc6 Sc11 60.5(5) . . ?
Sc13 Sc6 Sc11 72.4(4) . . ?
Sc14 Sc6 Sc11 59.3(4) . . ?
Sc9 Sc6 Sc11 62.1(3) . . ?
Sc5 Sc6 Sc11 9.61(19) . . ?
Sc12 Sc6 Sc11 22.1(2) . . ?
Sc4 Sc6 Sc11 56.0(3) . . ?
Sc1 Sc6 Sc11 56.4(3) . . ?
Sc3 Sc7 Sc11 102.6(11) . . ?
Sc3 Sc7 Sc5 74.0(6) . . ?
Sc11 Sc7 Sc5 28.6(8) . . ?
Sc3 Sc7 Sc12 33.3(4) . . ?
Sc11 Sc7 Sc12 69.2(10) . . ?
Sc5 Sc7 Sc12 40.7(4) . . ?
Sc3 Sc7 Sc15 125.9(8) . . ?
Sc11 Sc7 Sc15 98.9(11) . . ?
Sc5 Sc7 Sc15 118.1(7) . . ?
Sc12 Sc7 Sc15 131.1(6) . . ?
Sc3 Sc7 Sc4 73.3(5) . . ?
Sc11 Sc7 Sc4 120.3(7) . . ?
Sc5 Sc7 Sc4 113.1(4) . . ?
Sc12 Sc7 Sc4 91.1(4) . . ?
Sc15 Sc7 Sc4 53.0(6) . . ?
Sc3 Sc7 Sc1 86.7(5) . . ?
Sc11 Sc7 Sc1 115.3(7) . . ?
Sc5 Sc7 Sc1 115.5(3) . . ?
Sc12 Sc7 Sc1 101.3(3) . . ?
Sc15 Sc7 Sc1 39.4(6) . . ?
Sc4 Sc7 Sc1 13.75(18) . . ?
Sc3 Sc7 Sc14 105.6(5) . . ?
Sc11 Sc7 Sc14 91.5(8) . . ?
Sc5 Sc7 Sc14 101.5(5) . . ?
Sc12 Sc7 Sc14 106.5(4) . . ?
Sc15 Sc7 Sc14 24.6(6) . . ?
Sc4 Sc7 Sc14 39.5(4) . . ?
Sc1 Sc7 Sc14 27.3(4) . . ?
Sc3 Sc7 Sc9 93.3(4) . . ?
Sc11 Sc7 Sc9 104.2(7) . . ?
Sc5 Sc7 Sc9 108.1(3) . . ?
Sc12 Sc7 Sc9 101.8(3) . . ?
Sc15 Sc7 Sc9 33.0(6) . . ?
Sc4 Sc7 Sc9 23.7(2) . . ?
Sc1 Sc7 Sc9 11.78(15) . . ?
Sc14 Sc7 Sc9 15.9(3) . . ?
Sc3 Sc7 Sc13 84.1(4) . . ?
Sc11 Sc7 Sc13 99.0(7) . . ?
Sc5 Sc7 Sc13 98.3(4) . . ?
Sc12 Sc7 Sc13 90.0(3) . . ?
Sc15 Sc7 Sc13 43.5(6) . . ?
Sc4 Sc7 Sc13 22.6(3) . . ?
Sc1 Sc7 Sc13 17.4(2) . . ?
Sc14 Sc7 Sc13 21.7(4) . . ?
Sc9 Sc7 Sc13 11.85(19) . . ?
Sc3 Sc7 Sc2 73.3(4) . . ?
Sc11 Sc7 Sc2 51.5(7) . . ?
Sc5 Sc7 Sc2 43.4(3) . . ?
Sc12 Sc7 Sc2 51.7(3) . . ?
Sc15 Sc7 Sc2 83.1(5) . . ?
Sc4 Sc7 Sc2 71.74(19) . . ?
Sc1 Sc7 Sc2 72.18(12) . . ?
Sc14 Sc7 Sc2 61.0(3) . . ?
Sc9 Sc7 Sc2 64.96(13) . . ?
Sc13 Sc7 Sc2 54.9(2) . . ?
Sc3 Sc7 Sc8 90.6(4) . . ?
Sc11 Sc7 Sc8 50.8(6) . . ?
Sc5 Sc7 Sc8 54.2(3) . . ?
Sc12 Sc7 Sc8 70.3(3) . . ?
Sc15 Sc7 Sc8 66.6(5) . . ?
Sc4 Sc7 Sc8 69.6(2) . . ?
Sc1 Sc7 Sc8 65.44(18) . . ?
Sc14 Sc7 Sc8 47.3(3) . . ?
Sc9 Sc7 Sc8 55.62(17) . . ?
Sc13 Sc7 Sc8 48.5(2) . . ?
Sc2 Sc7 Sc8 18.66(11) . . ?
Sc10 Sc8 Sc2 85.2(9) . . ?
Sc10 Sc8 Sc6 41.8(7) . . ?
Sc2 Sc8 Sc6 43.7(4) . . ?
Sc10 Sc8 Sc14 65.8(9) . . ?
Sc2 Sc8 Sc14 114.2(5) . . ?
Sc6 Sc8 Sc14 92.7(6) . . ?
Sc10 Sc8 Sc13 43.8(7) . . ?
Sc2 Sc8 Sc13 94.8(4) . . ?
Sc6 Sc8 Sc13 66.8(5) . . ?
Sc14 Sc8 Sc13 26.0(5) . . ?
Sc10 Sc8 Sc5 113.3(7) . . ?
Sc2 Sc8 Sc5 64.0(4) . . ?
Sc6 Sc8 Sc5 92.1(5) . . ?
Sc14 Sc8 Sc5 75.3(4) . . ?
Sc13 Sc8 Sc5 79.7(3) . . ?
Sc10 Sc8 Sc11 114.7(7) . . ?
Sc2 Sc8 Sc11 75.0(4) . . ?
Sc6 Sc8 Sc11 100.2(5) . . ?
Sc14 Sc8 Sc11 67.5(5) . . ?
Sc13 Sc8 Sc11 76.3(4) . . ?
Sc5 Sc8 Sc11 11.2(2) . . ?
Sc10 Sc8 Sc9 56.9(7) . . ?
Sc2 Sc8 Sc9 100.9(3) . . ?
Sc6 Sc8 Sc9 78.9(4) . . ?
Sc14 Sc8 Sc9 14.4(4) . . ?
Sc13 Sc8 Sc9 13.5(2) . . ?
Sc5 Sc8 Sc9 72.25(18) . . ?
Sc11 Sc8 Sc9 66.8(3) . . ?
Sc10 Sc8 Sc15 89.9(8) . . ?
Sc2 Sc8 Sc15 102.0(4) . . ?
Sc6 Sc8 Sc15 102.0(5) . . ?
Sc14 Sc8 Sc15 29.3(5) . . ?
Sc13 Sc8 Sc15 46.2(4) . . ?
Sc5 Sc8 Sc15 47.9(3) . . ?
Sc11 Sc8 Sc15 38.8(4) . . ?
Sc9 Sc8 Sc15 33.3(3) . . ?
Sc10 Sc8 Sc12 99.8(7) . . ?
Sc2 Sc8 Sc12 54.6(3) . . ?
Sc6 Sc8 Sc12 77.8(5) . . ?
Sc14 Sc8 Sc12 73.2(4) . . ?
Sc13 Sc8 Sc12 71.3(3) . . ?
Sc5 Sc8 Sc12 14.67(15) . . ?
Sc11 Sc8 Sc12 22.9(3) . . ?
Sc9 Sc8 Sc12 66.64(17) . . ?
Sc15 Sc8 Sc12 50.0(3) . . ?
Sc10 Sc8 Sc1 60.6(6) . . ?
Sc2 Sc8 Sc1 92.2(3) . . ?
Sc6 Sc8 Sc1 75.5(4) . . ?
Sc14 Sc8 Sc1 22.0(4) . . ?
Sc13 Sc8 Sc1 17.6(3) . . ?
Sc5 Sc8 Sc1 63.22(16) . . ?
Sc11 Sc8 Sc1 58.9(3) . . ?
Sc9 Sc8 Sc1 10.14(8) . . ?
Sc15 Sc8 Sc1 30.1(3) . . ?
Sc12 Sc8 Sc1 56.73(17) . . ?
Sc10 Sc8 Sc7 101.5(6) . . ?
Sc2 Sc8 Sc7 75.9(3) . . ?
Sc6 Sc8 Sc7 92.5(4) . . ?
Sc14 Sc8 Sc7 56.4(4) . . ?
Sc13 Sc8 Sc7 62.8(3) . . ?
Sc5 Sc8 Sc7 18.93(15) . . ?
Sc11 Sc8 Sc7 13.5(3) . . ?
Sc9 Sc8 Sc7 53.97(13) . . ?
Sc15 Sc8 Sc7 29.6(3) . . ?
Sc12 Sc8 Sc7 21.48(13) . . ?
Sc1 Sc8 Sc7 45.58(11) . . ?
Sc1 Sc9 Sc13 106.1(12) . . ?
Sc1 Sc9 Sc14 133.6(15) . . ?
Sc13 Sc9 Sc14 104.5(15) . . ?
Sc1 Sc9 Sc4 20.3(7) . . ?
Sc13 Sc9 Sc4 86.2(10) . . ?
Sc14 Sc9 Sc4 139.6(11) . . ?
Sc1 Sc9 Sc15 72.3(9) . . ?
Sc13 Sc9 Sc15 136.5(8) . . ?
Sc14 Sc9 Sc15 61.5(13) . . ?
Sc4 Sc9 Sc15 83.8(6) . . ?
Sc1 Sc9 Sc10 119.8(5) . . ?
Sc13 Sc9 Sc10 48.0(8) . . ?
Sc14 Sc9 Sc10 62.4(10) . . ?
Sc4 Sc9 Sc10 103.2(4) . . ?
Sc15 Sc9 Sc10 93.8(5) . . ?
Sc1 Sc9 Sc7 55.0(5) . . ?
Sc13 Sc9 Sc7 111.2(7) . . ?
Sc14 Sc9 Sc7 81.7(10) . . ?
Sc4 Sc9 Sc7 58.4(4) . . ?
Sc15 Sc9 Sc7 31.5(5) . . ?
Sc10 Sc9 Sc7 82.7(2) . . ?
Sc1 Sc9 Sc6 106.9(5) . . ?
Sc13 Sc9 Sc6 44.5(7) . . ?
Sc14 Sc9 Sc6 73.3(9) . . ?
Sc4 Sc9 Sc6 89.9(4) . . ?
Sc15 Sc9 Sc6 93.2(4) . . ?
Sc10 Sc9 Sc6 13.3(2) . . ?
Sc7 Sc9 Sc6 75.89(16) . . ?
Sc1 Sc9 Sc8 115.8(4) . . ?
Sc13 Sc9 Sc8 63.1(8) . . ?
Sc14 Sc9 Sc8 52.5(9) . . ?
Sc4 Sc9 Sc8 103.3(4) . . ?
Sc15 Sc9 Sc8 78.3(5) . . ?
Sc10 Sc9 Sc8 15.6(2) . . ?
Sc7 Sc9 Sc8 70.41(17) . . ?
Sc6 Sc9 Sc8 21.42(18) . . ?
Sc1 Sc9 Sc3 47.8(4) . . ?
Sc13 Sc9 Sc3 99.5(7) . . ?
Sc14 Sc9 Sc3 93.4(10) . . ?
Sc4 Sc9 Sc3 46.2(3) . . ?
Sc15 Sc9 Sc3 46.2(5) . . ?
Sc10 Sc9 Sc3 80.0(2) . . ?
Sc7 Sc9 Sc3 14.84(11) . . ?
Sc6 Sc9 Sc3 70.52(17) . . ?
Sc8 Sc9 Sc3 70.69(17) . . ?
Sc1 Sc9 Sc11 69.4(5) . . ?
Sc13 Sc9 Sc11 104.1(7) . . ?
Sc14 Sc9 Sc11 69.8(10) . . ?
Sc4 Sc9 Sc11 69.8(4) . . ?
Sc15 Sc9 Sc11 33.3(5) . . ?
Sc10 Sc9 Sc11 69.0(3) . . ?
Sc7 Sc9 Sc11 15.3(2) . . ?
Sc6 Sc9 Sc11 64.0(3) . . ?
Sc8 Sc9 Sc11 55.8(3) . . ?
Sc3 Sc9 Sc11 23.6(3) . . ?
Sc1 Sc9 Sc2 99.7(4) . . ?
Sc13 Sc9 Sc2 56.5(7) . . ?
Sc14 Sc9 Sc2 70.0(8) . . ?
Sc4 Sc9 Sc2 85.3(3) . . ?
Sc15 Sc9 Sc2 80.6(4) . . ?
Sc10 Sc9 Sc2 21.2(2) . . ?
Sc7 Sc9 Sc2 63.14(10) . . ?
Sc6 Sc9 Sc2 13.05(11) . . ?
Sc8 Sc9 Sc2 18.59(12) . . ?
Sc3 Sc9 Sc2 58.96(12) . . ?
Sc11 Sc9 Sc2 50.9(3) . . ?
Sc6 Sc10 Sc8 88.7(15) . . ?
Sc6 Sc10 Sc2 33.8(8) . . ?
Sc8 Sc10 Sc2 55.4(8) . . ?
Sc6 Sc10 Sc13 106.3(12) . . ?
Sc8 Sc10 Sc13 120.9(8) . . ?
Sc2 Sc10 Sc13 116.1(6) . . ?
Sc6 Sc10 Sc14 125.4(10) . . ?
Sc8 Sc10 Sc14 95.2(9) . . ?
Sc2 Sc10 Sc14 116.9(6) . . ?
Sc13 Sc10 Sc14 30.4(5) . . ?
Sc6 Sc10 Sc9 111.9(10) . . ?
Sc8 Sc10 Sc9 107.5(7) . . ?
Sc2 Sc10 Sc9 113.1(4) . . ?
Sc13 Sc10 Sc9 14.0(3) . . ?
Sc14 Sc10 Sc9 17.6(4) . . ?
Sc6 Sc10 Sc1 101.4(10) . . ?
Sc8 Sc10 Sc1 105.3(7) . . ?
Sc2 Sc10 Sc1 102.9(4) . . ?
Sc13 Sc10 Sc1 16.9(3) . . ?
Sc14 Sc10 Sc1 25.6(4) . . ?
Sc9 Sc10 Sc1 10.84(11) . . ?
Sc6 Sc10 Sc4 90.1(10) . . ?
Sc8 Sc10 Sc4 107.1(6) . . ?
Sc2 Sc10 Sc4 94.5(5) . . ?
Sc13 Sc10 Sc4 21.8(3) . . ?
Sc14 Sc10 Sc4 36.9(4) . . ?
Sc9 Sc10 Sc4 21.77(18) . . ?
Sc1 Sc10 Sc4 11.43(14) . . ?
Sc6 Sc10 Sc15 107.2(9) . . ?
Sc8 Sc10 Sc15 75.1(7) . . ?
Sc2 Sc10 Sc15 91.1(4) . . ?
Sc13 Sc10 Sc15 45.9(5) . . ?
Sc14 Sc10 Sc15 26.4(5) . . ?
Sc9 Sc10 Sc15 32.7(3) . . ?
Sc1 Sc10 Sc15 30.9(3) . . ?
Sc4 Sc10 Sc15 36.8(3) . . ?
Sc6 Sc10 Sc5 69.5(8) . . ?
Sc8 Sc10 Sc5 53.2(6) . . ?
Sc2 Sc10 Sc5 47.2(3) . . ?
Sc13 Sc10 Sc5 78.8(3) . . ?
Sc14 Sc10 Sc5 70.0(4) . . ?
Sc9 Sc10 Sc5 70.3(2) . . ?
Sc1 Sc10 Sc5 62.29(19) . . ?
Sc4 Sc10 Sc5 58.6(2) . . ?
Sc15 Sc10 Sc5 44.0(3) . . ?
Sc6 Sc10 Sc11 79.2(9) . . ?
Sc8 Sc10 Sc11 52.2(6) . . ?
Sc2 Sc10 Sc11 56.1(4) . . ?
Sc13 Sc10 Sc11 74.6(4) . . ?
Sc14 Sc10 Sc11 62.0(5) . . ?
Sc9 Sc10 Sc11 64.5(3) . . ?
Sc1 Sc10 Sc11 57.7(3) . . ?
Sc4 Sc10 Sc11 56.1(3) . . ?
Sc15 Sc10 Sc11 35.6(4) . . ?
Sc5 Sc10 Sc11 9.7(2) . . ?
Sc5 Sc11 Sc7 103(2) . . ?
Sc5 Sc11 Sc12 34.2(14) . . ?
Sc7 Sc11 Sc12 69.3(10) . . ?
Sc5 Sc11 Sc3 67.2(17) . . ?
Sc7 Sc11 Sc3 36.1(6) . . ?
Sc12 Sc11 Sc3 33.2(4) . . ?
Sc5 Sc11 Sc15 134.2(17) . . ?
Sc7 Sc11 Sc15 55.6(9) . . ?
Sc12 Sc11 Sc15 107.6(9) . . ?
Sc3 Sc11 Sc15 81.7(9) . . ?
Sc5 Sc11 Sc2 58.7(14) . . ?
Sc7 Sc11 Sc2 114.5(8) . . ?
Sc12 Sc11 Sc2 71.5(6) . . ?
Sc3 Sc11 Sc2 92.2(6) . . ?
Sc15 Sc11 Sc2 91.3(5) . . ?
Sc5 Sc11 Sc8 80.2(15) . . ?
Sc7 Sc11 Sc8 115.7(7) . . ?
Sc12 Sc11 Sc8 91.2(7) . . ?
Sc3 Sc11 Sc8 105.1(6) . . ?
Sc15 Sc11 Sc8 76.3(5) . . ?
Sc2 Sc11 Sc8 21.75(16) . . ?
Sc5 Sc11 Sc4 94.3(15) . . ?
Sc7 Sc11 Sc4 45.2(6) . . ?
Sc12 Sc11 Sc4 67.6(6) . . ?
Sc3 Sc11 Sc4 48.9(5) . . ?
Sc15 Sc11 Sc4 40.8(5) . . ?
Sc2 Sc11 Sc4 72.0(3) . . ?
Sc8 Sc11 Sc4 70.5(3) . . ?
Sc5 Sc11 Sc14 114.2(13) . . ?
Sc7 Sc11 Sc14 71.7(8) . . ?
Sc12 Sc11 Sc14 98.6(6) . . ?
Sc3 Sc11 Sc14 84.5(6) . . ?
Sc15 Sc11 Sc14 26.5(5) . . ?
Sc2 Sc11 Sc14 64.9(3) . . ?
Sc8 Sc11 Sc14 50.7(4) . . ?
Sc4 Sc11 Sc14 35.6(4) . . ?
Sc5 Sc11 Sc1 104.1(15) . . ?
Sc7 Sc11 Sc1 49.7(6) . . ?
Sc12 Sc11 Sc1 79.0(6) . . ?
Sc3 Sc11 Sc1 59.7(5) . . ?
Sc15 Sc11 Sc1 30.3(5) . . ?
Sc2 Sc11 Sc1 72.9(2) . . ?
Sc8 Sc11 Sc1 66.9(3) . . ?
Sc4 Sc11 Sc1 11.56(15) . . ?
Sc14 Sc11 Sc1 25.1(3) . . ?
Sc5 Sc11 Sc9 106.6(14) . . ?
Sc7 Sc11 Sc9 60.5(6) . . ?
Sc12 Sc11 Sc9 86.1(6) . . ?
Sc3 Sc11 Sc9 70.3(5) . . ?
Sc15 Sc11 Sc9 28.5(5) . . ?
Sc2 Sc11 Sc9 66.5(2) . . ?
Sc8 Sc11 Sc9 57.4(2) . . ?
Sc4 Sc11 Sc9 21.36(19) . . ?
Sc14 Sc11 Sc9 14.3(3) . . ?
Sc1 Sc11 Sc9 11.35(12) . . ?
Sc5 Sc11 Sc6 66.8(13) . . ?
Sc7 Sc11 Sc6 104.1(7) . . ?
Sc12 Sc11 Sc6 72.4(6) . . ?
Sc3 Sc11 Sc6 86.9(5) . . ?
Sc15 Sc11 Sc6 79.2(5) . . ?
Sc2 Sc11 Sc6 12.65(11) . . ?
Sc8 Sc11 Sc6 19.23(19) . . ?
Sc4 Sc11 Sc6 60.2(2) . . ?
Sc14 Sc11 Sc6 52.9(3) . . ?
Sc1 Sc11 Sc6 60.4(2) . . ?
Sc9 Sc11 Sc6 53.9(2) . . ?
Sc3 Sc12 Sc5 100.0(9) . . ?
Sc3 Sc12 Sc11 77.8(9) . . ?
Sc5 Sc12 Sc11 22.3(9) . . ?
Sc3 Sc12 Sc7 36.3(5) . . ?
Sc5 Sc12 Sc7 63.7(7) . . ?
Sc11 Sc12 Sc7 41.5(7) . . ?
Sc3 Sc12 Sc15 46.9(5) . . ?
Sc5 Sc12 Sc15 65.6(7) . . ?
Sc11 Sc12 Sc15 46.0(7) . . ?
Sc7 Sc12 Sc15 28.4(4) . . ?
Sc3 Sc12 Sc2 122.6(4) . . ?
Sc5 Sc12 Sc2 72.6(6) . . ?
Sc11 Sc12 Sc2 82.7(7) . . ?
Sc7 Sc12 Sc2 107.2(3) . . ?
Sc15 Sc12 Sc2 81.7(3) . . ?
Sc3 Sc12 Sc4 48.8(4) . . ?
Sc5 Sc12 Sc4 105.0(5) . . ?
Sc11 Sc12 Sc4 88.3(6) . . ?
Sc7 Sc12 Sc4 62.7(3) . . ?
Sc15 Sc12 Sc4 42.8(4) . . ?
Sc2 Sc12 Sc4 77.5(2) . . ?
Sc3 Sc12 Sc1 49.0(4) . . ?
Sc5 Sc12 Sc1 94.3(5) . . ?
Sc11 Sc12 Sc1 77.8(6) . . ?
Sc7 Sc12 Sc1 55.5(3) . . ?
Sc15 Sc12 Sc1 32.8(4) . . ?
Sc2 Sc12 Sc1 74.38(14) . . ?
Sc4 Sc12 Sc1 10.76(16) . . ?
Sc3 Sc12 Sc6 110.8(4) . . ?
Sc5 Sc12 Sc6 80.0(6) . . ?
Sc11 Sc12 Sc6 85.5(6) . . ?
Sc7 Sc12 Sc6 101.6(3) . . ?
Sc15 Sc12 Sc6 74.1(4) . . ?
Sc2 Sc12 Sc6 13.50(11) . . ?
Sc4 Sc12 Sc6 64.3(2) . . ?
Sc1 Sc12 Sc6 61.94(16) . . ?
Sc3 Sc12 Sc8 108.0(5) . . ?
Sc5 Sc12 Sc8 60.4(5) . . ?
Sc11 Sc12 Sc8 65.9(6) . . ?
Sc7 Sc12 Sc8 88.2(3) . . ?
Sc15 Sc12 Sc8 63.8(4) . . ?
Sc2 Sc12 Sc8 19.09(11) . . ?
Sc4 Sc12 Sc8 69.5(2) . . ?
Sc1 Sc12 Sc8 63.44(18) . . ?
Sc6 Sc12 Sc8 20.00(17) . . ?
Sc3 Sc12 Sc9 57.2(4) . . ?
Sc5 Sc12 Sc9 86.8(5) . . ?
Sc11 Sc12 Sc9 72.5(5) . . ?
Sc7 Sc12 Sc9 57.2(2) . . ?
Sc15 Sc12 Sc9 30.8(4) . . ?
Sc2 Sc12 Sc9 65.52(13) . . ?
Sc4 Sc12 Sc9 19.20(17) . . ?
Sc1 Sc12 Sc9 10.13(10) . . ?
Sc6 Sc12 Sc9 53.70(16) . . ?
Sc8 Sc12 Sc9 53.54(16) . . ?
Sc9 Sc13 Sc1 34.9(7) . . ?
Sc9 Sc13 Sc14 40.4(11) . . ?
Sc1 Sc13 Sc14 71.2(13) . . ?
Sc9 Sc13 Sc4 61.7(9) . . ?
Sc1 Sc13 Sc4 27.0(5) . . ?
Sc14 Sc13 Sc4 94.5(12) . . ?
Sc9 Sc13 Sc10 118.0(10) . . ?
Sc1 Sc13 Sc10 127.3(7) . . ?
Sc14 Sc13 Sc10 81.8(9) . . ?
Sc4 Sc13 Sc10 120.6(6) . . ?
Sc9 Sc13 Sc15 31.3(6) . . ?
Sc1 Sc13 Sc15 41.6(7) . . ?
Sc14 Sc13 Sc15 36.8(9) . . ?
Sc4 Sc13 Sc15 59.4(7) . . ?
Sc10 Sc13 Sc15 91.4(5) . . ?
Sc9 Sc13 Sc6 124.0(8) . . ?
Sc1 Sc13 Sc6 121.6(5) . . ?
Sc14 Sc13 Sc6 93.3(8) . . ?
Sc4 Sc13 Sc6 108.2(6) . . ?
Sc10 Sc13 Sc6 16.4(3) . . ?
Sc15 Sc13 Sc6 93.8(5) . . ?
Sc9 Sc13 Sc8 103.4(8) . . ?
Sc1 Sc13 Sc8 113.0(6) . . ?
Sc14 Sc13 Sc8 69.5(8) . . ?
Sc4 Sc13 Sc8 111.1(5) . . ?
Sc10 Sc13 Sc8 15.3(2) . . ?
Sc15 Sc13 Sc8 76.1(4) . . ?
Sc6 Sc13 Sc8 23.9(2) . . ?
Sc9 Sc13 Sc2 112.2(7) . . ?
Sc1 Sc13 Sc2 108.7(5) . . ?
Sc14 Sc13 Sc2 86.0(7) . . ?
Sc4 Sc13 Sc2 97.8(5) . . ?
Sc10 Sc13 Sc2 23.1(3) . . ?
Sc15 Sc13 Sc2 81.3(4) . . ?
Sc6 Sc13 Sc2 13.25(14) . . ?
Sc8 Sc13 Sc2 21.07(15) . . ?
Sc9 Sc13 Sc7 57.0(6) . . ?
Sc1 Sc13 Sc7 45.5(4) . . ?
Sc14 Sc13 Sc7 63.4(8) . . ?
Sc4 Sc13 Sc7 46.1(4) . . ?
Sc10 Sc13 Sc7 82.0(3) . . ?
Sc15 Sc13 Sc7 29.9(4) . . ?
Sc6 Sc13 Sc7 76.8(2) . . ?
Sc8 Sc13 Sc7 68.7(2) . . ?
Sc2 Sc13 Sc7 63.58(17) . . ?
Sc9 Sc13 Sc3 68.1(7) . . ?
Sc1 Sc13 Sc3 48.9(4) . . ?
Sc14 Sc13 Sc3 77.2(8) . . ?
Sc4 Sc13 Sc3 40.5(4) . . ?
Sc10 Sc13 Sc3 81.9(3) . . ?
Sc15 Sc13 Sc3 43.5(4) . . ?
Sc6 Sc13 Sc3 73.0(3) . . ?
Sc8 Sc13 Sc3 70.8(2) . . ?
Sc2 Sc13 Sc3 60.50(18) . . ?
Sc7 Sc13 Sc3 13.88(11) . . ?
Sc9 Sc14 Sc13 35.2(9) . . ?
Sc9 Sc14 Sc1 20.6(7) . . ?
Sc13 Sc14 Sc1 50.5(9) . . ?
Sc9 Sc14 Sc15 91.3(15) . . ?
Sc13 Sc14 Sc15 115.4(14) . . ?
Sc1 Sc14 Sc15 70.9(10) . . ?
Sc9 Sc14 Sc4 24.2(7) . . ?
Sc13 Sc14 Sc4 45.6(8) . . ?
Sc1 Sc14 Sc4 11.3(3) . . ?
Sc15 Sc14 Sc4 71.5(9) . . ?
Sc9 Sc14 Sc10 100.0(11) . . ?
Sc13 Sc14 Sc10 67.8(8) . . ?
Sc1 Sc14 Sc10 104.9(8) . . ?
Sc15 Sc14 Sc10 111.0(8) . . ?
Sc4 Sc14 Sc10 94.0(6) . . ?
Sc9 Sc14 Sc8 113.1(10) . . ?
Sc13 Sc14 Sc8 84.5(8) . . ?
Sc1 Sc14 Sc8 112.1(7) . . ?
Sc15 Sc14 Sc8 96.1(8) . . ?
Sc4 Sc14 Sc8 100.8(5) . . ?
Sc10 Sc14 Sc8 19.0(3) . . ?
Sc9 Sc14 Sc6 91.0(10) . . ?
Sc13 Sc14 Sc6 61.8(7) . . ?
Sc1 Sc14 Sc6 93.6(6) . . ?
Sc15 Sc14 Sc6 103.3(7) . . ?
Sc4 Sc14 Sc6 82.5(5) . . ?
Sc10 Sc14 Sc6 12.2(3) . . ?
Sc8 Sc14 Sc6 22.8(2) . . ?
Sc9 Sc14 Sc7 82.4(10) . . ?
Sc13 Sc14 Sc7 94.9(9) . . ?
Sc1 Sc14 Sc7 63.2(6) . . ?
Sc15 Sc14 Sc7 27.1(5) . . ?
Sc4 Sc14 Sc7 58.5(5) . . ?
Sc10 Sc14 Sc7 87.4(4) . . ?
Sc8 Sc14 Sc7 76.4(4) . . ?
Sc6 Sc14 Sc7 77.9(3) . . ?
Sc9 Sc14 Sc11 95.9(11) . . ?
Sc13 Sc14 Sc11 100.6(8) . . ?
Sc1 Sc14 Sc11 78.1(6) . . ?
Sc15 Sc14 Sc11 35.7(6) . . ?
Sc4 Sc14 Sc11 71.7(5) . . ?
Sc10 Sc14 Sc11 75.4(5) . . ?
Sc8 Sc14 Sc11 61.7(4) . . ?
Sc6 Sc14 Sc11 67.8(4) . . ?
Sc7 Sc14 Sc11 16.7(3) . . ?
Sc9 Sc14 Sc2 96.2(9) . . ?
Sc13 Sc14 Sc2 71.8(7) . . ?
Sc1 Sc14 Sc2 93.8(6) . . ?
Sc15 Sc14 Sc2 89.8(7) . . ?
Sc4 Sc14 Sc2 82.5(4) . . ?
Sc10 Sc14 Sc2 21.8(3) . . ?
Sc8 Sc14 Sc2 18.26(16) . . ?
Sc6 Sc14 Sc2 14.27(14) . . ?
Sc7 Sc14 Sc2 65.7(2) . . ?
Sc11 Sc14 Sc2 54.2(3) . . ?
Sc9 Sc14 Sc3 72.1(9) . . ?
Sc13 Sc14 Sc3 81.4(8) . . ?
Sc1 Sc14 Sc3 54.6(5) . . ?
Sc15 Sc14 Sc3 39.3(6) . . ?
Sc4 Sc14 Sc3 47.9(4) . . ?
Sc10 Sc14 Sc3 80.8(4) . . ?
Sc8 Sc14 Sc3 73.4(3) . . ?
Sc6 Sc14 Sc3 69.9(3) . . ?
Sc7 Sc14 Sc3 13.62(12) . . ?
Sc11 Sc14 Sc3 23.8(3) . . ?
Sc2 Sc14 Sc3 59.5(2) . . ?
Sc14 Sc15 Sc1 48.7(8) . . ?
Sc14 Sc15 Sc7 128.3(10) . . ?
Sc1 Sc15 Sc7 101.0(8) . . ?
Sc14 Sc15 Sc9 27.2(7) . . ?
Sc1 Sc15 Sc9 21.6(3) . . ?
Sc7 Sc15 Sc9 115.5(8) . . ?
Sc14 Sc15 Sc4 61.8(9) . . ?
Sc1 Sc15 Sc4 16.3(3) . . ?
Sc7 Sc15 Sc4 84.8(7) . . ?
Sc9 Sc15 Sc4 35.8(4) . . ?
Sc14 Sc15 Sc11 117.8(9) . . ?
Sc1 Sc15 Sc11 112.3(8) . . ?
Sc7 Sc15 Sc11 25.5(5) . . ?
Sc9 Sc15 Sc11 118.3(8) . . ?
Sc4 Sc15 Sc11 98.2(7) . . ?
Sc14 Sc15 Sc3 114.9(9) . . ?
Sc1 Sc15 Sc3 84.6(7) . . ?
Sc7 Sc15 Sc3 16.5(3) . . ?
Sc9 Sc15 Sc3 99.3(7) . . ?
Sc4 Sc15 Sc3 68.5(5) . . ?
Sc11 Sc15 Sc3 35.1(5) . . ?
Sc14 Sc15 Sc13 27.8(7) . . ?
Sc1 Sc15 Sc13 25.5(4) . . ?
Sc7 Sc15 Sc13 106.6(7) . . ?
Sc9 Sc15 Sc13 12.2(3) . . ?
Sc4 Sc15 Sc13 35.0(5) . . ?
Sc11 Sc15 Sc13 106.5(7) . . ?
Sc3 Sc15 Sc13 90.9(6) . . ?
Sc14 Sc15 Sc5 111.2(8) . . ?
Sc1 Sc15 Sc5 102.8(7) . . ?
Sc7 Sc15 Sc5 24.5(3) . . ?
Sc9 Sc15 Sc5 109.1(6) . . ?
Sc4 Sc15 Sc5 89.0(6) . . ?
Sc11 Sc15 Sc5 9.5(4) . . ?
Sc3 Sc15 Sc5 29.3(3) . . ?
Sc13 Sc15 Sc5 97.5(6) . . ?
Sc14 Sc15 Sc12 107.8(8) . . ?
Sc1 Sc15 Sc12 87.4(6) . . ?
Sc7 Sc15 Sc12 20.5(3) . . ?
Sc9 Sc15 Sc12 97.9(6) . . ?
Sc4 Sc15 Sc12 72.4(5) . . ?
Sc11 Sc15 Sc12 26.3(4) . . ?
Sc3 Sc15 Sc12 13.75(18) . . ?
Sc13 Sc15 Sc12 87.6(5) . . ?
Sc5 Sc15 Sc12 18.1(2) . . ?
Sc14 Sc15 Sc8 54.5(7) . . ?
Sc1 Sc15 Sc8 80.8(5) . . ?
Sc7 Sc15 Sc8 83.8(5) . . ?
Sc9 Sc15 Sc8 68.4(5) . . ?
Sc4 Sc15 Sc8 80.9(5) . . ?
Sc11 Sc15 Sc8 64.9(5) . . ?
Sc3 Sc15 Sc8 79.2(4) . . ?
Sc13 Sc15 Sc8 57.7(4) . . ?
Sc5 Sc15 Sc8 60.6(3) . . ?
Sc12 Sc15 Sc8 66.3(3) . . ?
Sc14 Sc15 Sc10 42.6(6) . . ?
Sc1 Sc15 Sc10 66.1(5) . . ?
Sc7 Sc15 Sc10 90.0(5) . . ?
Sc9 Sc15 Sc10 53.5(4) . . ?
Sc4 Sc15 Sc10 67.8(5) . . ?
Sc11 Sc15 Sc10 75.3(6) . . ?
Sc3 Sc15 Sc10 81.6(4) . . ?
Sc13 Sc15 Sc10 42.7(4) . . ?
Sc5 Sc15 Sc10 69.3(4) . . ?
Sc12 Sc15 Sc10 70.4(4) . . ?
Sc8 Sc15 Sc10 15.0(2) . . ?
C45 C1 C2 122.6(5) . . ?
C45 C1 C5 125.1(5) . . ?
C2 C1 C5 103.3(5) . . ?
C42 C2 C3 121.2(6) . . ?
C42 C2 C1 119.7(6) . . ?
C3 C2 C1 110.3(5) . . ?
C2 C3 C80 122.6(5) . . ?
C2 C3 C4 109.1(5) . . ?
C80 C3 C4 119.0(5) . . ?
C9 C4 C5 123.2(5) . . ?
C9 C4 C3 120.6(5) . . ?
C5 C4 C3 105.9(5) . . ?
C4 C5 C6 122.2(6) . . ?
C4 C5 C1 111.4(4) . . ?
C6 C5 C1 119.3(6) . . ?
C5 C6 C7 114.0(5) . . ?
C5 C6 C67 115.3(5) . . ?
C7 C6 C67 121.6(4) . . ?
C8 C7 C6 124.9(4) . . ?
C8 C7 C66 107.7(4) . . ?
C6 C7 C66 118.1(4) . . ?
C13 C8 C7 109.8(4) . . ?
C13 C8 C9 122.1(5) . . ?
C7 C8 C9 118.9(5) . . ?
C4 C9 C10 119.5(5) . . ?
C4 C9 C8 116.6(5) . . ?
C10 C9 C8 116.1(5) . . ?
C9 C10 C68 120.8(6) . . ?
C9 C10 C11 120.8(5) . . ?
C68 C10 C11 108.8(5) . . ?
C12 C11 C70 120.9(5) . . ?
C12 C11 C10 122.6(5) . . ?
C70 C11 C10 107.4(5) . . ?
C11 C12 C13 117.8(5) . . ?
C11 C12 C17 119.7(5) . . ?
C13 C12 C17 115.2(5) . . ?
C8 C13 C12 120.4(5) . . ?
C8 C13 C14 108.4(4) . . ?
C12 C13 C14 122.4(5) . . ?
C15 C14 C66 121.2(4) . . ?
C15 C14 C13 121.0(4) . . ?
C66 C14 C13 107.9(4) . . ?
C59 C15 C14 117.9(5) . . ?
C59 C15 C16 117.1(5) . . ?
C14 C15 C16 117.9(5) . . ?
C20 C16 C17 110.2(5) . . ?
C20 C16 C15 120.1(5) . . ?
C17 C16 C15 118.6(5) . . ?
C18 C17 C12 118.8(5) . . ?
C18 C17 C16 107.6(5) . . ?
C12 C17 C16 124.4(5) . . ?
C17 C18 C19 108.6(5) . . ?
C17 C18 C71 121.1(5) . . ?
C19 C18 C71 121.3(5) . . ?
C18 C19 C24 123.5(5) . . ?
C18 C19 C20 108.5(5) . . ?
C24 C19 C20 118.8(5) . . ?
C16 C20 C21 122.9(5) . . ?
C16 C20 C19 105.1(5) . . ?
C21 C20 C19 122.1(5) . . ?
C20 C21 C22 117.7(5) . . ?
C20 C21 C58 116.6(5) . . ?
C22 C21 C58 117.5(6) . . ?
C21 C22 C55 119.0(6) . . ?
C21 C22 C23 120.6(6) . . ?
C55 C22 C23 109.8(5) . . ?
C24 C23 C28 122.7(5) . . ?
C24 C23 C22 120.7(5) . . ?
C28 C23 C22 104.1(5) . . ?
C25 C24 C23 118.8(6) . . ?
C25 C24 C19 113.3(6) . . ?
C23 C24 C19 119.7(5) . . ?
C24 C25 C72 125.0(6) . . ?
C24 C25 C26 118.1(6) . . ?
C72 C25 C26 109.1(5) . . ?
C27 C26 C78 119.1(5) . . ?
C27 C26 C25 124.8(5) . . ?
C78 C26 C25 106.6(5) . . ?
C26 C27 C32 120.7(5) . . ?
C26 C27 C28 114.6(6) . . ?
C32 C27 C28 116.8(6) . . ?
C29 C28 C27 118.3(6) . . ?
C29 C28 C23 111.4(5) . . ?
C27 C28 C23 120.5(6) . . ?
C30 C29 C28 125.1(5) . . ?
C30 C29 C55 120.9(5) . . ?
C28 C29 C55 106.3(5) . . ?
C54 C30 C29 119.3(6) . . ?
C54 C30 C31 117.2(6) . . ?
C29 C30 C31 115.7(5) . . ?
C32 C31 C35 109.1(5) . . ?
C32 C31 C30 119.6(6) . . ?
C35 C31 C30 121.7(6) . . ?
C31 C32 C27 124.3(5) . . ?
C31 C32 C33 109.0(5) . . ?
C27 C32 C33 117.5(5) . . ?
C77 C33 C32 122.6(5) . . ?
C77 C33 C34 122.1(5) . . ?
C32 C33 C34 106.3(5) . . ?
C39 C34 C35 122.6(5) . . ?
C39 C34 C33 120.9(5) . . ?
C35 C34 C33 107.3(5) . . ?
C36 C35 C31 118.8(6) . . ?
C36 C35 C34 123.3(6) . . ?
C31 C35 C34 108.2(5) . . ?
C50 C36 C37 120.2(6) . . ?
C50 C36 C35 119.9(7) . . ?
C37 C36 C35 113.2(6) . . ?
C36 C37 C49 118.5(6) . . ?
C36 C37 C38 125.3(5) . . ?
C49 C37 C38 106.2(6) . . ?
C43 C38 C39 120.2(6) . . ?
C43 C38 C37 109.9(5) . . ?
C39 C38 C37 119.5(6) . . ?
C40 C39 C34 118.9(5) . . ?
C40 C39 C38 117.9(6) . . ?
C34 C39 C38 115.8(6) . . ?
C39 C40 C41 121.9(5) . . ?
C39 C40 C76 118.6(5) . . ?
C41 C40 C76 108.9(5) . . ?
C79 C41 C42 120.7(5) . . ?
C79 C41 C40 107.5(5) . . ?
C42 C41 C40 120.3(6) . . ?
C2 C42 C43 117.3(5) . . ?
C2 C42 C41 118.2(7) . . ?
C43 C42 C41 116.9(5) . . ?
C38 C43 C42 122.5(5) . . ?
C38 C43 C44 105.9(6) . . ?
C42 C43 C44 122.8(6) . . ?
C49 C44 C45 124.4(6) . . ?
C49 C44 C43 108.7(5) . . ?
C45 C44 C43 117.3(6) . . ?
C1 C45 C46 117.3(6) . . ?
C1 C45 C44 120.3(5) . . ?
C46 C45 C44 115.8(6) . . ?
C45 C46 C67 119.8(6) . . ?
C45 C46 C47 121.1(6) . . ?
C67 C46 C47 107.9(5) . . ?
C63 C47 C48 122.4(6) . . ?
C63 C47 C46 107.3(5) . . ?
C48 C47 C46 121.5(5) . . ?
C51 C48 C47 119.4(6) . . ?
C51 C48 C49 118.3(6) . . ?
C47 C48 C49 115.6(6) . . ?
C44 C49 C37 109.2(6) . . ?
C44 C49 C48 120.7(6) . . ?
C37 C49 C48 119.7(6) . . ?
C36 C50 C51 121.8(7) . . ?
C36 C50 C54 121.3(6) . . ?
C51 C50 C54 106.9(6) . . ?
C48 C51 C50 121.3(7) . . ?
C48 C51 C52 118.6(6) . . ?
C50 C51 C52 110.9(6) . . ?
C62 C52 C51 124.2(6) . . ?
C62 C52 C53 119.6(6) . . ?
C51 C52 C53 106.6(6) . . ?
C56 C53 C54 122.5(6) . . ?
C56 C53 C52 120.6(5) . . ?
C54 C53 C52 106.3(6) . . ?
C30 C54 C53 120.6(7) . . ?
C30 C54 C50 120.9(6) . . ?
C53 C54 C50 109.3(6) . . ?
C22 C55 C56 124.1(5) . . ?
C22 C55 C29 108.4(5) . . ?
C56 C55 C29 118.2(5) . . ?
C53 C56 C57 118.4(5) . . ?
C53 C56 C55 118.3(5) . . ?
C57 C56 C55 116.3(5) . . ?
C56 C57 C61 122.0(6) . . ?
C56 C57 C58 120.2(5) . . ?
C61 C57 C58 108.7(4) . . ?
C59 C58 C21 120.3(5) . . ?
C59 C58 C57 107.8(5) . . ?
C21 C58 C57 122.6(5) . . ?
C15 C59 C58 122.8(5) . . ?
C15 C59 C60 119.1(4) . . ?
C58 C59 C60 109.2(5) . . ?
C65 C60 C61 123.8(5) . . ?
C65 C60 C59 123.0(5) . . ?
C61 C60 C59 104.9(4) . . ?
C62 C61 C57 120.1(5) . . ?
C62 C61 C60 120.3(5) . . ?
C57 C61 C60 109.4(5) . . ?
C61 C62 C52 119.1(6) . . ?
C61 C62 C63 118.2(5) . . ?
C52 C62 C63 114.8(6) . . ?
C47 C63 C62 120.3(5) . . ?
C47 C63 C64 110.2(5) . . ?
C62 C63 C64 120.9(5) . . ?
C65 C64 C67 121.7(5) . . ?
C65 C64 C63 119.5(5) . . ?
C67 C64 C63 108.0(5) . . ?
C60 C65 C66 115.8(5) . . ?
C60 C65 C64 117.1(5) . . ?
C66 C65 C64 118.3(5) . . ?
C65 C66 C14 122.9(5) . . ?
C65 C66 C7 122.3(5) . . ?
C14 C66 C7 106.1(4) . . ?
C6 C67 C64 118.0(5) . . ?
C6 C67 C46 122.7(5) . . ?
C64 C67 C46 106.6(5) . . ?
C80 C68 C10 121.5(5) . . ?
C80 C68 C69 121.8(5) . . ?
C10 C68 C69 107.8(5) . . ?
C74 C69 C70 123.2(5) . . ?
C74 C69 C68 121.6(5) . . ?
C70 C69 C68 106.1(5) . . ?
C71 C70 C11 121.1(5) . . ?
C71 C70 C69 119.1(5) . . ?
C11 C70 C69 109.9(5) . . ?
C70 C71 C72 119.1(6) . . ?
C70 C71 C18 118.2(5) . . ?
C72 C71 C18 115.2(5) . . ?
C71 C72 C73 122.2(5) . . ?
C71 C72 C25 121.5(5) . . ?
C73 C72 C25 107.1(5) . . ?
C72 C73 C74 119.6(5) . . ?
C72 C73 C78 109.7(5) . . ?
C74 C73 C78 121.3(5) . . ?
C69 C74 C75 117.1(5) . . ?
C69 C74 C73 116.7(5) . . ?
C75 C74 C73 118.2(5) . . ?
C74 C75 C79 121.6(5) . . ?
C74 C75 C76 120.3(5) . . ?
C79 C75 C76 108.7(5) . . ?
C77 C76 C75 122.4(5) . . ?
C77 C76 C40 122.4(5) . . ?
C75 C76 C40 105.4(4) . . ?
C33 C77 C78 117.6(5) . . ?
C33 C77 C76 116.9(5) . . ?
C78 C77 C76 117.2(5) . . ?
C77 C78 C26 122.5(5) . . ?
C77 C78 C73 120.4(5) . . ?
C26 C78 C73 107.6(4) . . ?
C41 C79 C75 109.5(5) . . ?
C41 C79 C80 120.5(5) . . ?
C75 C79 C80 121.3(6) . . ?
C68 C80 C3 118.6(5) . . ?
C68 C80 C79 116.4(5) . . ?
C3 C80 C79 116.5(5) . . ?
N4P Ni1P N2P 177.69(8) . . ?
N4P Ni1P N3P 90.10(9) . . ?
N2P Ni1P N3P 89.95(9) . . ?
N4P Ni1P N1P 89.84(9) . . ?
N2P Ni1P N1P 90.01(9) . . ?
N3P Ni1P N1P 177.77(8) . . ?
C4P N1P C1P 104.0(2) . . ?
C4P N1P Ni1P 127.93(16) . . ?
C1P N1P Ni1P 128.04(18) . . ?
C6P N2P C9P 104.3(2) . . ?
C6P N2P Ni1P 127.66(16) . . ?
C9P N2P Ni1P 128.07(17) . . ?
C14P N3P C11P 104.4(2) . . ?
C14P N3P Ni1P 127.79(17) . . ?
C11P N3P Ni1P 127.73(17) . . ?
C16P N4P C19P 104.3(2) . . ?
C16P N4P Ni1P 127.83(17) . . ?
C19P N4P Ni1P 127.85(18) . . ?
C20P C1P N1P 124.9(2) . . ?
C20P C1P C2P 123.7(2) . . ?
N1P C1P C2P 111.4(2) . . ?
C3P C2P C1P 106.7(2) . . ?
C3P C2P C21P 128.5(3) . . ?
C1P C2P C21P 124.6(2) . . ?
C2P C3P C4P 106.1(2) . . ?
C2P C3P C23P 128.7(2) . . ?
C4P C3P C23P 125.1(2) . . ?
C5P C4P N1P 124.8(2) . . ?
C5P C4P C3P 123.2(2) . . ?
N1P C4P C3P 111.9(2) . . ?
C4P C5P C6P 123.8(2) . . ?
N2P C6P C5P 125.7(2) . . ?
N2P C6P C7P 111.6(2) . . ?
C5P C6P C7P 122.7(2) . . ?
C8P C7P C6P 106.3(2) . . ?
C8P C7P C25P 128.9(2) . . ?
C6P C7P C25P 124.8(2) . . ?
C7P C8P C9P 106.2(2) . . ?
C7P C8P C27P 128.9(3) . . ?
C9P C8P C27P 124.8(2) . . ?
N2P C9P C10P 125.1(2) . . ?
N2P C9P C8P 111.6(2) . . ?
C10P C9P C8P 123.3(2) . . ?
C11P C10P C9P 123.9(2) . . ?
C10P C11P N3P 125.3(2) . . ?
C10P C11P C12P 123.3(2) . . ?
N3P C11P C12P 111.4(2) . . ?
C13P C12P C11P 106.2(2) . . ?
C13P C12P C29P 129.2(3) . . ?
C11P C12P C29P 124.5(3) . . ?
C12P C13P C14P 106.9(2) . . ?
C12P C13P C31P 128.3(3) . . ?
C14P C13P C31P 124.7(3) . . ?
C15P C14P N3P 124.7(2) . . ?
C15P C14P C13P 124.2(3) . . ?
N3P C14P C13P 111.1(2) . . ?
C16P C15P C14P 124.5(3) . . ?
C15P C16P N4P 125.0(2) . . ?
C15P C16P C17P 123.9(3) . . ?
N4P C16P C17P 111.0(2) . . ?
C18P C17P C16P 106.6(2) . . ?
C18P C17P C33P 128.0(3) . . ?
C16P C17P C33P 125.3(3) . . ?
C17P C18P C19P 106.4(2) . . ?
C17P C18P C35P 128.0(3) . . ?
C19P C18P C35P 125.5(3) . . ?
C20P C19P N4P 125.2(2) . . ?
C20P C19P C18P 123.1(2) . . ?
N4P C19P C18P 111.6(2) . . ?
C1P C20P C19P 124.1(2) . . ?
C2P C21P C22P 111.7(2) . . ?
C3P C23P C24P 112.3(3) . . ?
C7P C25P C26P 113.2(2) . . ?
C8P C27P C28P 112.8(2) . . ?
C12P C29P C30P 113.1(3) . . ?
C13P C31P C32P 112.0(4) . . ?
C17P C33P C34P 112.9(3) . . ?
C18P C35P C36P 113.1(3) . . ?
C6S C1S C2S 119.8(4) . . ?
C3S C2S C1S 122.0(4) . . ?
C2S C3S C4S 118.6(4) . . ?
C5S C4S C3S 120.0(5) . . ?
C4S C5S C6S 119.8(4) . . ?
C1S C6S C5S 119.8(4) . . ?
C8S C7S C12S 120.0 . . ?
C7S C8S C9S 120.0 . . ?
C10S C9S C8S 120.0 . . ?
C11S C10S C9S 120.0 . . ?
C10S C11S C12S 120.0 . . ?
C11S C12S C7S 120.0 . . ?

_refine_diff_density_max         1.347
_refine_diff_density_min         -1.279
_refine_diff_density_rms         0.118



####################################################################### 
# 
# 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_c60-160k
_database_code_depnum_ccdc_archive 'CCDC 2027152'
loop_
_audit_author_name
_audit_author_address
'Fupin Liu'
;Leibniz Institute for Solid State and Materials Research, Dresden
Germany
;
_audit_update_record             
;
2020-09-03 deposited with the CCDC.	2020-11-03 downloaded from the CCDC.
;
# start Validation Reply Form
_vrf_PLAT029_c60-160k            
;
PROBLEM: diffrn_measured_fraction_theta_full value low
RESPONSE: This is caused by the limited phi scan with synchrotron radiation 
X-ray diffraction facility
;

_audit_creation_method           SHELXL-2018/3
_shelx_SHELXL_version_number     2018/3
_chemical_name_systematic        ?
_chemical_name_common            ;C60/NiOEP/2C6H6;
_chemical_melting_point          ?
_chemical_formula_moiety         ;C60/NiOEP/2C6H6;
_chemical_formula_sum            'C108 H56 N4 Ni'
_chemical_formula_weight         1468.27

loop_
_atom_type_symbol
_atom_type_description
_atom_type_scat_dispersion_real
_atom_type_scat_dispersion_imag
_atom_type_scat_source
C C 0.0048 0.0021 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
H H 0.0000 0.0000 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
N N 0.0087 0.0042 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Ni Ni 0.3285 1.3900 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'

_space_group_crystal_system      triclinic
_space_group_IT_number           2
_space_group_name_H-M_alt        'P -1'
_space_group_name_Hall           '-P 1'

_shelx_space_group_comment       
;
The symmetry employed for this shelxl refinement is uniquely defined
by the following loop, which should always be used as a source of
symmetry information in preference to the above space-group names.
They are only intended as comments.
;

loop_
_space_group_symop_operation_xyz
'x, y, z'
'-x, -y, -z'

_cell_length_a                   14.130(3)
_cell_length_b                   14.410(3)
_cell_length_c                   17.290(4)
_cell_angle_alpha                87.72(3)
_cell_angle_beta                 75.78(3)
_cell_angle_gamma                75.74(3)
_cell_volume                     3306.7(13)
_cell_formula_units_Z            2
_cell_measurement_temperature    160(2)
_cell_measurement_reflns_used    60659
_cell_measurement_theta_min      1.641
_cell_measurement_theta_max      36.639

_exptl_crystal_description       block
_exptl_crystal_colour            black
_exptl_crystal_density_meas      ?
_exptl_crystal_density_method    ?
_exptl_crystal_density_diffrn    1.475
_exptl_crystal_F_000             1520
_exptl_transmission_factor_min   ?
_exptl_transmission_factor_max   ?
_exptl_crystal_size_max          0.200
_exptl_crystal_size_mid          0.100
_exptl_crystal_size_min          0.080
_exptl_absorpt_coefficient_mu    0.488
_shelx_estimated_absorpt_T_min   0.909
_shelx_estimated_absorpt_T_max   0.962
_exptl_absorpt_correction_type   ?
_exptl_absorpt_correction_T_min  ?
_exptl_absorpt_correction_T_max  ?
_exptl_absorpt_process_details   ?
_exptl_absorpt_special_details   ?
_diffrn_ambient_temperature      160(2)
_diffrn_radiation_wavelength     0.7999
_diffrn_radiation_type           synchrotron
_diffrn_source                   'BESSY BL MX-14.2'
_diffrn_measurement_device_type  PILATUS
_diffrn_measurement_method       'phi scan'
_diffrn_detector_area_resol_mean ?
_diffrn_reflns_number            60659
_diffrn_reflns_av_unetI/netI     0.0461
_diffrn_reflns_av_R_equivalents  0.0506
_diffrn_reflns_limit_h_min       -20
_diffrn_reflns_limit_h_max       20
_diffrn_reflns_limit_k_min       -21
_diffrn_reflns_limit_k_max       21
_diffrn_reflns_limit_l_min       -24
_diffrn_reflns_limit_l_max       24
_diffrn_reflns_theta_min         1.641
_diffrn_reflns_theta_max         36.639
_diffrn_reflns_theta_full        28.681
_diffrn_measured_fraction_theta_max 0.777
_diffrn_measured_fraction_theta_full 0.909
_diffrn_reflns_Laue_measured_fraction_max 0.777
_diffrn_reflns_Laue_measured_fraction_full 0.909
_diffrn_reflns_point_group_measured_fraction_max 0.777
_diffrn_reflns_point_group_measured_fraction_full 0.909
_reflns_number_total             17893
_reflns_number_gt                17811
_reflns_threshold_expression     'I > 2σ(I)'
_reflns_Friedel_coverage         0.000
_reflns_Friedel_fraction_max     .
_reflns_Friedel_fraction_full    .

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

_computing_data_collection       XDS
_computing_cell_refinement       XDS
_computing_data_reduction        XDS
_computing_structure_solution    'SHELXT 2018/2 (Sheldrick, 2018)'
_computing_structure_refinement  'SHELXL-2018/3 (Sheldrick, 2018)'
_computing_molecular_graphics    ?
_computing_publication_material  ?
_refine_special_details          ?
_refine_ls_structure_factor_coef Fsqd
_refine_ls_matrix_type           full
_refine_ls_weighting_scheme      calc
_refine_ls_weighting_details     
'w=1/[σ²(Fo²)+(0.0676P)²+1.9686P] where P=(Fo²+2Fc²)/3'
_atom_sites_solution_primary     ?
_atom_sites_solution_secondary   ?
_atom_sites_solution_hydrogens   geom
_refine_ls_hydrogen_treatment    constr
_refine_ls_extinction_method     none
_refine_ls_extinction_coef       .
_refine_ls_number_reflns         17893
_refine_ls_number_parameters     1026
_refine_ls_number_restraints     0
_refine_ls_R_factor_all          0.0488
_refine_ls_R_factor_gt           0.0486
_refine_ls_wR_factor_ref         0.1308
_refine_ls_wR_factor_gt          0.1306
_refine_ls_goodness_of_fit_ref   1.027
_refine_ls_restrained_S_all      1.027
_refine_ls_shift/su_max          0.001
_refine_ls_shift/su_mean         0.000

loop_
_atom_site_label
_atom_site_type_symbol
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_U_iso_or_equiv
_atom_site_adp_type
_atom_site_occupancy
_atom_site_site_symmetry_order
_atom_site_calc_flag
_atom_site_refinement_flags_posn
_atom_site_refinement_flags_adp
_atom_site_refinement_flags_occupancy
_atom_site_disorder_assembly
_atom_site_disorder_group
C1 C 0.42621(14) 0.30064(14) 0.23987(11) 0.0364(4) Uani 1 1 d . . . . .
C2 C 0.44107(13) 0.31094(15) 0.31921(12) 0.0376(4) Uani 1 1 d . . . . .
C3 C 0.35931(16) 0.38816(13) 0.36078(12) 0.0402(4) Uani 1 1 d . . . . .
C4 C 0.29431(16) 0.42445(12) 0.30781(13) 0.0399(4) Uani 1 1 d . . . . .
C5 C 0.33493(15) 0.37057(13) 0.23320(11) 0.0360(4) Uani 1 1 d . . . . .
C6 C 0.27189(16) 0.34647(14) 0.19157(12) 0.0383(4) Uani 1 1 d . . . . .
C7 C 0.16473(16) 0.37585(14) 0.22260(14) 0.0426(4) Uani 1 1 d . . . . .
C8 C 0.12454(16) 0.42796(12) 0.29414(16) 0.0458(5) Uani 1 1 d . . . . .
C9 C 0.19032(17) 0.45289(11) 0.33810(15) 0.0459(5) Uani 1 1 d . . . . .
C10 C 0.14785(18) 0.44588(13) 0.42205(16) 0.0512(6) Uani 1 1 d . . . . .
C11 C 0.05377(17) 0.41619(15) 0.43044(17) 0.0547(6) Uani 1 1 d . . . . .
C12 C 0.03995(15) 0.40502(15) 0.35162(17) 0.0510(6) Uani 1 1 d . . . . .
C13 C -0.00052(13) 0.33133(17) 0.33544(17) 0.0499(6) Uani 1 1 d . . . . .
C14 C -0.02880(13) 0.26645(18) 0.39771(16) 0.0503(6) Uani 1 1 d . . . . .
C15 C -0.01569(14) 0.27733(19) 0.47367(15) 0.0544(6) Uani 1 1 d . . . . .
C16 C 0.02655(17) 0.35457(18) 0.49020(15) 0.0565(6) Uani 1 1 d . . . . .
C17 C 0.09087(19) 0.31919(19) 0.54399(13) 0.0567(7) Uani 1 1 d . . . . .
C18 C 0.0890(2) 0.2198(2) 0.56059(11) 0.0553(7) Uani 1 1 d . . . . .
C19 C 0.02276(17) 0.1945(2) 0.51704(13) 0.0544(6) Uani 1 1 d . . . . .
C20 C 0.04589(17) 0.10402(18) 0.48364(13) 0.0496(6) Uani 1 1 d . . . . .
C21 C 0.13770(19) 0.03300(16) 0.49032(12) 0.0470(5) Uani 1 1 d . . . . .
C22 C 0.2011(2) 0.05688(19) 0.53098(13) 0.0522(6) Uani 1 1 d . . . . .
C23 C 0.1752(2) 0.1534(2) 0.56770(11) 0.0550(7) Uani 1 1 d . . . . .
C24 C 0.2683(2) 0.1816(2) 0.55888(11) 0.0541(6) Uani 1 1 d . . . . .
C25 C 0.3517(2) 0.10460(19) 0.51703(14) 0.0513(5) Uani 1 1 d . . . . .
C26 C 0.3087(2) 0.02714(18) 0.49994(15) 0.0514(5) Uani 1 1 d . . . . .
C27 C 0.34839(18) -0.02436(14) 0.42839(16) 0.0463(5) Uani 1 1 d . . . . .
C28 C 0.43309(16) -0.00141(14) 0.37078(17) 0.0472(5) Uani 1 1 d . . . . .
C29 C 0.47370(14) 0.07207(17) 0.38701(15) 0.0472(5) Uani 1 1 d . . . . .
C30 C 0.43142(17) 0.12603(19) 0.46200(15) 0.0489(5) Uani 1 1 d . . . . .
C31 C 0.43352(16) 0.22570(19) 0.44556(14) 0.0466(5) Uani 1 1 d . . . . .
C32 C 0.47693(13) 0.23236(16) 0.36079(13) 0.0417(4) Uani 1 1 d . . . . .
C33 C 0.50134(12) 0.13728(16) 0.32477(14) 0.0434(5) Uani 1 1 d . . . . .
C34 C 0.48775(12) 0.12789(15) 0.24878(13) 0.0406(4) Uani 1 1 d . . . . .
C35 C 0.44932(13) 0.21035(15) 0.20613(11) 0.0371(4) Uani 1 1 d . . . . .
C36 C 0.38290(14) 0.18530(15) 0.16309(9) 0.0360(4) Uani 1 1 d . . . . .
C37 C 0.38048(14) 0.08567(14) 0.17965(10) 0.0384(4) Uani 1 1 d . . . . .
C38 C 0.44504(14) 0.05049(14) 0.23215(13) 0.0419(4) Uani 1 1 d . . . . .
C39 C 0.41843(15) -0.01194(13) 0.29103(15) 0.0453(5) Uani 1 1 d . . . . .
C40 C 0.32457(17) -0.04160(11) 0.30022(14) 0.0424(5) Uani 1 1 d . . . . .
C41 C 0.26236(17) -0.00698(12) 0.25000(12) 0.0400(4) Uani 1 1 d . . . . .
C42 C 0.29115(15) 0.05808(13) 0.18778(10) 0.0370(4) Uani 1 1 d . . . . .
C43 C 0.20158(15) 0.12758(15) 0.18020(10) 0.0372(4) Uani 1 1 d . . . . .
C44 C 0.11624(15) 0.10554(16) 0.23829(12) 0.0400(4) Uani 1 1 d . . . . .
C45 C 0.15408(16) 0.02256(14) 0.28143(12) 0.0395(4) Uani 1 1 d . . . . .
C46 C 0.11314(16) 0.01580(14) 0.36287(13) 0.0410(4) Uani 1 1 d . . . . .
C47 C 0.03119(15) 0.09295(16) 0.40425(13) 0.0438(5) Uani 1 1 d . . . . .
C48 C -0.00445(13) 0.17159(17) 0.36208(14) 0.0453(5) Uani 1 1 d . . . . .
C49 C 0.03925(14) 0.17809(17) 0.27754(14) 0.0436(5) Uani 1 1 d . . . . .
C50 C 0.04144(14) 0.27746(17) 0.26079(15) 0.0452(5) Uani 1 1 d . . . . .
C51 C 0.12196(16) 0.29882(16) 0.20576(13) 0.0416(4) Uani 1 1 d . . . . .
C52 C 0.20426(16) 0.22165(16) 0.16490(11) 0.0383(4) Uani 1 1 d . . . . .
C53 C 0.29701(16) 0.25062(15) 0.15593(10) 0.0365(4) Uani 1 1 d . . . . .
C54 C 0.28163(18) -0.04888(12) 0.38455(14) 0.0435(5) Uani 1 1 d . . . . .
C55 C 0.17825(18) -0.02059(13) 0.41539(13) 0.0426(5) Uani 1 1 d . . . . .
C56 C 0.1811(2) 0.34612(18) 0.53573(12) 0.0535(6) Uani 1 1 d . . . . .
C57 C 0.2095(2) 0.41154(15) 0.47293(13) 0.0517(6) Uani 1 1 d . . . . .
C58 C 0.31817(18) 0.38116(15) 0.44211(12) 0.0453(5) Uani 1 1 d . . . . .
C59 C 0.35605(19) 0.29823(18) 0.48471(12) 0.0489(6) Uani 1 1 d . . . . .
C60 C 0.2704(2) 0.2759(2) 0.54334(11) 0.0519(6) Uani 1 1 d . . . . .
Ni1P Ni 0.53551(2) 0.41327(2) 0.11246(2) 0.01227(5) Uani 1 1 d . . . . .
N1P N 0.41746(7) 0.52096(7) 0.12654(6) 0.01416(19) Uani 1 1 d . . . . .
N2P N 0.48486(7) 0.35141(7) 0.03807(6) 0.01411(19) Uani 1 1 d . . . . .
N3P N 0.65253(7) 0.30499(8) 0.09970(7) 0.01505(19) Uani 1 1 d . . . . .
N4P N 0.58562(8) 0.47407(8) 0.18760(7) 0.0162(2) Uani 1 1 d . . . . .
C1P C 0.38727(9) 0.59527(9) 0.18199(8) 0.0164(2) Uani 1 1 d . . . . .
C2P C 0.29326(9) 0.65918(9) 0.17536(8) 0.0183(2) Uani 1 1 d . . . . .
C3P C 0.26645(9) 0.62389(9) 0.11418(8) 0.0168(2) Uani 1 1 d . . . . .
C4P C 0.34364(9) 0.53800(9) 0.08507(8) 0.0148(2) Uani 1 1 d . . . . .
C5P C 0.33885(9) 0.47878(9) 0.02630(8) 0.0159(2) Uani 1 1 d . . . . .
H5P H 0.288639 0.500633 -0.002549 0.019 Uiso 1 1 calc R U . . .
C6P C 0.40316(9) 0.38932(9) 0.00708(7) 0.0148(2) Uani 1 1 d . . . . .
C7P C 0.38813(9) 0.32154(9) -0.04537(8) 0.0167(2) Uani 1 1 d . . . . .
C8P C 0.46187(9) 0.24003(9) -0.04566(8) 0.0171(2) Uani 1 1 d . . . . .
C9P C 0.52170(9) 0.25976(9) 0.00602(7) 0.0154(2) Uani 1 1 d . . . . .
C10P C 0.60590(9) 0.19583(9) 0.01923(8) 0.0175(2) Uani 1 1 d . . . . .
H10P H 0.622048 0.132676 -0.002369 0.021 Uiso 1 1 calc R U . . .
C11P C 0.66843(9) 0.21808(9) 0.06210(8) 0.0161(2) Uani 1 1 d . . . . .
C12P C 0.76368(9) 0.15520(9) 0.06681(9) 0.0188(2) Uani 1 1 d . . . . .
C13P C 0.80827(9) 0.20607(9) 0.10554(8) 0.0188(2) Uani 1 1 d . . . . .
C14P C 0.73769(9) 0.29784(9) 0.12726(8) 0.0170(2) Uani 1 1 d . . . . .
C15P C 0.75211(9) 0.36622(10) 0.17377(8) 0.0197(2) Uani 1 1 d . . . . .
H15P H 0.815995 0.356719 0.185569 0.024 Uiso 1 1 calc R U . . .
C16P C 0.67907(9) 0.44768(10) 0.20416(8) 0.0181(2) Uani 1 1 d . . . . .
C17P C 0.68800(10) 0.51135(10) 0.26301(9) 0.0209(3) Uani 1 1 d . . . . .
C18P C 0.59693(10) 0.57588(10) 0.28474(8) 0.0204(2) Uani 1 1 d . . . . .
C19P C 0.53532(9) 0.55348(9) 0.23612(8) 0.0177(2) Uani 1 1 d . . . . .
C20P C 0.44096(9) 0.60890(9) 0.23542(8) 0.0194(2) Uani 1 1 d . . . . .
H20P H 0.411179 0.659453 0.274007 0.023 Uiso 1 1 calc R U . . .
C21P C 0.23782(11) 0.74612(10) 0.22693(10) 0.0263(3) Uani 1 1 d . . . . .
H21A H 0.204944 0.795794 0.194265 0.032 Uiso 1 1 calc R U . . .
H21B H 0.286847 0.771872 0.246279 0.032 Uiso 1 1 calc R U . . .
C22P C 0.15831(15) 0.72652(15) 0.29843(11) 0.0414(4) Uani 1 1 d . . . . .
H22A H 0.105445 0.707679 0.279803 0.062 Uiso 1 1 calc R U . . .
H22B H 0.128800 0.784564 0.332119 0.062 Uiso 1 1 calc R U . . .
H22C H 0.189485 0.674702 0.329398 0.062 Uiso 1 1 calc R U . . .
C23P C 0.17379(10) 0.66033(10) 0.08372(9) 0.0212(3) Uani 1 1 d . . . . .
H23A H 0.192609 0.655073 0.024719 0.025 Uiso 1 1 calc R U . . .
H23B H 0.145759 0.728966 0.098825 0.025 Uiso 1 1 calc R U . . .
C24P C 0.09251(11) 0.60592(12) 0.11607(11) 0.0289(3) Uani 1 1 d . . . . .
H24A H 0.034025 0.632635 0.094140 0.043 Uiso 1 1 calc R U . . .
H24B H 0.072193 0.612169 0.174415 0.043 Uiso 1 1 calc R U . . .
H24C H 0.119224 0.538092 0.100377 0.043 Uiso 1 1 calc R U . . .
C25P C 0.30362(10) 0.33948(11) -0.08644(8) 0.0209(3) Uani 1 1 d . . . . .
H25A H 0.322383 0.293785 -0.132119 0.025 Uiso 1 1 calc R U . . .
H25B H 0.294287 0.404946 -0.107912 0.025 Uiso 1 1 calc R U . . .
C26P C 0.20362(11) 0.32931(13) -0.03163(10) 0.0295(3) Uani 1 1 d . . . . .
H26A H 0.151201 0.343551 -0.061437 0.044 Uiso 1 1 calc R U . . .
H26B H 0.184507 0.374210 0.013866 0.044 Uiso 1 1 calc R U . . .
H26C H 0.211198 0.263680 -0.012284 0.044 Uiso 1 1 calc R U . . .
C27P C 0.47861(10) 0.14731(10) -0.08934(8) 0.0221(3) Uani 1 1 d . . . . .
H27A H 0.548978 0.110472 -0.094178 0.027 Uiso 1 1 calc R U . . .
H27B H 0.469514 0.161298 -0.143943 0.027 Uiso 1 1 calc R U . . .
C28P C 0.40817(16) 0.08609(13) -0.04878(13) 0.0428(5) Uani 1 1 d . . . . .
H28A H 0.424091 0.026002 -0.079264 0.064 Uiso 1 1 calc R U . . .
H28B H 0.338418 0.120681 -0.046286 0.064 Uiso 1 1 calc R U . . .
H28C H 0.416478 0.072054 0.005431 0.064 Uiso 1 1 calc R U . . .
C29P C 0.80470(10) 0.05546(10) 0.03219(10) 0.0252(3) Uani 1 1 d . . . . .
H29A H 0.748669 0.023614 0.039057 0.030 Uiso 1 1 calc R U . . .
H29B H 0.852579 0.018874 0.062213 0.030 Uiso 1 1 calc R U . . .
C30P C 0.85842(15) 0.05246(13) -0.05650(12) 0.0386(4) Uani 1 1 d . . . . .
H30A H 0.811335 0.088033 -0.086746 0.058 Uiso 1 1 calc R U . . .
H30B H 0.882644 -0.014228 -0.075913 0.058 Uiso 1 1 calc R U . . .
H30C H 0.915637 0.081648 -0.063586 0.058 Uiso 1 1 calc R U . . .
C31P C 0.91122(10) 0.17747(11) 0.12094(10) 0.0242(3) Uani 1 1 d . . . . .
H31A H 0.934194 0.106725 0.119126 0.029 Uiso 1 1 calc R U . . .
H31B H 0.907728 0.199933 0.175176 0.029 Uiso 1 1 calc R U . . .
C32P C 0.98783(12) 0.21866(14) 0.06026(12) 0.0355(4) Uani 1 1 d . . . . .
H32A H 0.992872 0.195327 0.006569 0.053 Uiso 1 1 calc R U . . .
H32B H 1.053734 0.198333 0.072846 0.053 Uiso 1 1 calc R U . . .
H32C H 0.966039 0.288751 0.062431 0.053 Uiso 1 1 calc R U . . .
C33P C 0.78007(11) 0.50429(12) 0.29370(10) 0.0275(3) Uani 1 1 d . . . . .
H33A H 0.812227 0.435882 0.299176 0.033 Uiso 1 1 calc R U . . .
H33B H 0.759470 0.535057 0.347409 0.033 Uiso 1 1 calc R U . . .
C34P C 0.85634(15) 0.55092(18) 0.24008(16) 0.0499(5) Uani 1 1 d . . . . .
H34A H 0.878650 0.519565 0.187209 0.075 Uiso 1 1 calc R U . . .
H34B H 0.914348 0.544433 0.263197 0.075 Uiso 1 1 calc R U . . .
H34C H 0.825437 0.618969 0.235116 0.075 Uiso 1 1 calc R U . . .
C35P C 0.56440(12) 0.65497(12) 0.34630(9) 0.0270(3) Uani 1 1 d . . . . .
H35A H 0.603447 0.636967 0.387255 0.032 Uiso 1 1 calc R U . . .
H35B H 0.492520 0.661329 0.372987 0.032 Uiso 1 1 calc R U . . .
C36P C 0.57757(18) 0.75147(12) 0.31359(12) 0.0412(4) Uani 1 1 d . . . . .
H36A H 0.538061 0.770776 0.273759 0.062 Uiso 1 1 calc R U . . .
H36B H 0.648869 0.746686 0.288632 0.062 Uiso 1 1 calc R U . . .
H36C H 0.554300 0.799290 0.357238 0.062 Uiso 1 1 calc R U . . .
C7S C 0.1874(2) 0.14286(19) 0.79851(17) 0.0584(6) Uani 1 1 d . . . . .
H7S H 0.205074 0.192630 0.821948 0.070 Uiso 1 1 calc R U . . .
C8S C 0.0876(2) 0.15133(19) 0.79411(18) 0.0635(7) Uani 1 1 d . . . . .
H8S H 0.036671 0.207293 0.814295 0.076 Uiso 1 1 calc R U . . .
C9S C 0.06453(17) 0.0778(2) 0.76030(16) 0.0541(6) Uani 1 1 d . . . . .
H9S H -0.002944 0.083213 0.757577 0.065 Uiso 1 1 calc R U . . .
C10S C 0.13614(18) -0.00234(18) 0.73072(13) 0.0466(5) Uani 1 1 d . . . . .
H10S H 0.118899 -0.052519 0.707433 0.056 Uiso 1 1 calc R U . . .
C11S C 0.23279(18) -0.01051(17) 0.73456(17) 0.0533(6) Uani 1 1 d . . . . .
H11S H 0.283010 -0.066612 0.713650 0.064 Uiso 1 1 calc R U . . .
C12S C 0.25864(17) 0.06103(19) 0.76816(17) 0.0550(6) Uani 1 1 d . . . . .
H12S H 0.326496 0.054019 0.770524 0.066 Uiso 1 1 calc R U . . .
C1S C 0.68569(16) 0.36755(15) 0.53261(15) 0.0440(5) Uani 1 1 d . . . . .
H1S H 0.688215 0.400258 0.578410 0.053 Uiso 1 1 calc R U . . .
C2S C 0.73515(15) 0.27185(15) 0.51858(15) 0.0433(5) Uani 1 1 d . . . . .
H2S H 0.770525 0.238400 0.555463 0.052 Uiso 1 1 calc R U . . .
C3S C 0.73319(14) 0.22511(16) 0.45138(16) 0.0484(5) Uani 1 1 d . . . . .
H3S H 0.767640 0.159560 0.441934 0.058 Uiso 1 1 calc R U . . .
C4S C 0.68155(18) 0.27270(18) 0.39757(16) 0.0513(6) Uani 1 1 d . . . . .
H4S H 0.681598 0.240705 0.350561 0.062 Uiso 1 1 calc R U . . .
C5S C 0.6294(2) 0.36813(18) 0.41295(18) 0.0555(6) Uani 1 1 d . . . . .
H5S H 0.591434 0.400936 0.377417 0.067 Uiso 1 1 calc R U . . .
C6S C 0.63288(18) 0.41492(15) 0.47977(19) 0.0541(6) Uani 1 1 d . . . . .
H6S H 0.598521 0.480468 0.489426 0.065 Uiso 1 1 calc R U . . .


_geom_special_details            
;
 All esds (except the esd in the dihedral angle between two l.s. planes)
 are estimated using the full covariance matrix.  The cell esds are taken
 into account individually in the estimation of esds in distances, angles
 and torsion angles; correlations between esds in cell parameters are only
 used when they are defined by crystal symmetry.  An approximate (isotropic)
 treatment of cell esds is used for estimating esds involving l.s. planes.
;

loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_site_symmetry_2
_geom_bond_publ_flag
C1 C35 1.377(3) . ?
C1 C5 1.455(3) . ?
C1 C2 1.456(3) . ?
C2 C32 1.374(3) . ?
C2 C3 1.453(3) . ?
C3 C58 1.393(3) . ?
C3 C4 1.447(3) . ?
C4 C9 1.394(3) . ?
C4 C5 1.447(3) . ?
C5 C6 1.385(3) . ?
C6 C7 1.436(3) . ?
C6 C53 1.460(3) . ?
C7 C8 1.391(3) . ?
C7 C51 1.458(3) . ?
C8 C9 1.451(4) . ?
C8 C12 1.453(3) . ?
C9 C10 1.438(4) . ?
C10 C57 1.381(4) . ?
C10 C11 1.467(3) . ?
C11 C16 1.380(4) . ?
C11 C12 1.444(4) . ?
C12 C13 1.391(3) . ?
C13 C14 1.444(4) . ?
C13 C50 1.448(4) . ?
C14 C15 1.391(4) . ?
C14 C48 1.448(3) . ?
C15 C19 1.446(4) . ?
C15 C16 1.454(4) . ?
C16 C17 1.449(4) . ?
C17 C56 1.396(4) . ?
C17 C18 1.455(4) . ?
C18 C23 1.380(4) . ?
C18 C19 1.453(4) . ?
C19 C20 1.378(3) . ?
C20 C47 1.458(3) . ?
C20 C21 1.467(4) . ?
C21 C22 1.376(3) . ?
C21 C55 1.449(3) . ?
C22 C26 1.442(4) . ?
C22 C23 1.475(4) . ?
C23 C24 1.442(4) . ?
C24 C60 1.380(4) . ?
C24 C25 1.465(4) . ?
C25 C30 1.375(4) . ?
C25 C26 1.467(3) . ?
C26 C27 1.387(4) . ?
C27 C28 1.455(4) . ?
C27 C54 1.458(3) . ?
C28 C29 1.390(3) . ?
C28 C39 1.463(4) . ?
C29 C33 1.445(3) . ?
C29 C30 1.454(4) . ?
C30 C31 1.459(4) . ?
C31 C59 1.370(4) . ?
C31 C32 1.452(3) . ?
C32 C33 1.454(3) . ?
C33 C34 1.390(3) . ?
C34 C35 1.435(3) . ?
C34 C38 1.461(3) . ?
C35 C36 1.448(3) . ?
C36 C53 1.370(3) . ?
C36 C37 1.460(3) . ?
C37 C42 1.388(3) . ?
C37 C38 1.434(3) . ?
C38 C39 1.376(3) . ?
C39 C40 1.462(3) . ?
C40 C41 1.378(3) . ?
C40 C54 1.446(3) . ?
C41 C42 1.447(3) . ?
C41 C45 1.451(3) . ?
C42 C43 1.438(3) . ?
C43 C52 1.379(3) . ?
C43 C44 1.460(3) . ?
C44 C49 1.368(3) . ?
C44 C45 1.443(3) . ?
C45 C46 1.394(3) . ?
C46 C55 1.442(3) . ?
C46 C47 1.453(3) . ?
C47 C48 1.379(3) . ?
C48 C49 1.450(3) . ?
C49 C50 1.456(3) . ?
C50 C51 1.383(3) . ?
C51 C52 1.453(3) . ?
C52 C53 1.442(3) . ?
C54 C55 1.388(3) . ?
C56 C60 1.440(4) . ?
C56 C57 1.456(3) . ?
C57 C58 1.455(3) . ?
C58 C59 1.437(4) . ?
C59 C60 1.470(3) . ?
Ni1P N3P 1.9480(13) . ?
Ni1P N4P 1.9506(11) . ?
Ni1P N1P 1.9507(13) . ?
Ni1P N2P 1.9543(11) . ?
N1P C4P 1.3747(16) . ?
N1P C1P 1.3796(15) . ?
N2P C6P 1.3740(17) . ?
N2P C9P 1.3783(15) . ?
N3P C11P 1.3769(15) . ?
N3P C14P 1.3792(16) . ?
N4P C16P 1.3784(17) . ?
N4P C19P 1.3788(16) . ?
C1P C20P 1.3784(18) . ?
C1P C2P 1.4454(18) . ?
C2P C3P 1.3622(19) . ?
C2P C21P 1.4968(18) . ?
C3P C4P 1.4456(17) . ?
C3P C23P 1.4985(19) . ?
C4P C5P 1.3771(17) . ?
C5P C6P 1.3808(18) . ?
C6P C7P 1.4452(16) . ?
C7P C8P 1.3639(19) . ?
C7P C25P 1.4990(19) . ?
C8P C9P 1.4504(17) . ?
C8P C27P 1.4995(17) . ?
C9P C10P 1.3760(18) . ?
C10P C11P 1.3831(17) . ?
C11P C12P 1.4443(18) . ?
C12P C13P 1.3626(18) . ?
C12P C29P 1.4992(18) . ?
C13P C14P 1.4457(18) . ?
C13P C31P 1.4977(19) . ?
C14P C15P 1.3790(17) . ?
C15P C16P 1.3803(19) . ?
C16P C17P 1.4448(17) . ?
C17P C18P 1.365(2) . ?
C17P C33P 1.5013(19) . ?
C18P C19P 1.4451(18) . ?
C18P C35P 1.4970(19) . ?
C19P C20P 1.3777(19) . ?
C21P C22P 1.522(3) . ?
C23P C24P 1.530(2) . ?
C25P C26P 1.533(2) . ?
C27P C28P 1.517(2) . ?
C29P C30P 1.532(3) . ?
C31P C32P 1.528(2) . ?
C33P C34P 1.513(3) . ?
C35P C36P 1.517(3) . ?
C7S C12S 1.373(4) . ?
C7S C8S 1.406(4) . ?
C8S C9S 1.372(4) . ?
C9S C10S 1.355(4) . ?
C10S C11S 1.359(3) . ?
C11S C12S 1.368(3) . ?
C1S C6S 1.375(4) . ?
C1S C2S 1.385(3) . ?
C2S C3S 1.375(4) . ?
C3S C4S 1.380(4) . ?
C4S C5S 1.392(4) . ?
C5S C6S 1.378(4) . ?

loop_
_geom_angle_atom_site_label_1
_geom_angle_atom_site_label_2
_geom_angle_atom_site_label_3
_geom_angle
_geom_angle_site_symmetry_1
_geom_angle_site_symmetry_3
_geom_angle_publ_flag
C35 C1 C5 120.35(17) . . ?
C35 C1 C2 119.07(19) . . ?
C5 C1 C2 108.17(17) . . ?
C32 C2 C3 119.48(19) . . ?
C32 C2 C1 121.15(18) . . ?
C3 C2 C1 107.50(18) . . ?
C58 C3 C4 120.1(2) . . ?
C58 C3 C2 119.5(2) . . ?
C4 C3 C2 108.19(17) . . ?
C9 C4 C5 119.6(2) . . ?
C9 C4 C3 120.1(2) . . ?
C5 C4 C3 108.41(18) . . ?
C6 C5 C4 120.90(19) . . ?
C6 C5 C1 119.66(18) . . ?
C4 C5 C1 107.72(18) . . ?
C5 C6 C7 119.6(2) . . ?
C5 C6 C53 119.6(2) . . ?
C7 C6 C53 108.47(17) . . ?
C8 C7 C6 120.2(2) . . ?
C8 C7 C51 120.0(2) . . ?
C6 C7 C51 107.80(18) . . ?
C7 C8 C9 120.4(2) . . ?
C7 C8 C12 119.5(2) . . ?
C9 C8 C12 107.9(2) . . ?
C4 C9 C10 119.8(2) . . ?
C4 C9 C8 119.4(2) . . ?
C10 C9 C8 108.7(2) . . ?
C57 C10 C9 120.4(2) . . ?
C57 C10 C11 120.3(2) . . ?
C9 C10 C11 107.3(2) . . ?
C16 C11 C12 120.5(2) . . ?
C16 C11 C10 119.6(3) . . ?
C12 C11 C10 108.3(2) . . ?
C13 C12 C11 119.9(2) . . ?
C13 C12 C8 120.3(2) . . ?
C11 C12 C8 107.8(2) . . ?
C12 C13 C14 119.8(2) . . ?
C12 C13 C50 119.9(2) . . ?
C14 C13 C50 108.5(2) . . ?
C15 C14 C13 120.3(2) . . ?
C15 C14 C48 119.8(2) . . ?
C13 C14 C48 108.1(2) . . ?
C14 C15 C19 120.4(2) . . ?
C14 C15 C16 119.6(2) . . ?
C19 C15 C16 108.0(2) . . ?
C11 C16 C17 120.1(2) . . ?
C11 C16 C15 119.8(3) . . ?
C17 C16 C15 108.0(2) . . ?
C56 C17 C16 120.7(2) . . ?
C56 C17 C18 118.8(3) . . ?
C16 C17 C18 108.1(2) . . ?
C23 C18 C19 119.9(2) . . ?
C23 C18 C17 120.4(2) . . ?
C19 C18 C17 107.6(3) . . ?
C20 C19 C15 120.2(2) . . ?
C20 C19 C18 119.8(3) . . ?
C15 C19 C18 108.3(2) . . ?
C19 C20 C47 119.2(2) . . ?
C19 C20 C21 120.8(2) . . ?
C47 C20 C21 107.7(2) . . ?
C22 C21 C55 120.4(2) . . ?
C22 C21 C20 119.6(2) . . ?
C55 C21 C20 107.7(2) . . ?
C21 C22 C26 120.1(2) . . ?
C21 C22 C23 119.4(3) . . ?
C26 C22 C23 108.9(2) . . ?
C18 C23 C24 120.4(2) . . ?
C18 C23 C22 120.5(2) . . ?
C24 C23 C22 107.1(3) . . ?
C60 C24 C23 119.4(3) . . ?
C60 C24 C25 119.7(2) . . ?
C23 C24 C25 108.9(2) . . ?
C30 C25 C24 120.2(2) . . ?
C30 C25 C26 119.9(2) . . ?
C24 C25 C26 107.5(2) . . ?
C27 C26 C22 120.0(2) . . ?
C27 C26 C25 120.0(2) . . ?
C22 C26 C25 107.7(2) . . ?
C26 C27 C28 119.6(2) . . ?
C26 C27 C54 120.2(2) . . ?
C28 C27 C54 108.1(2) . . ?
C29 C28 C27 120.3(2) . . ?
C29 C28 C39 119.8(2) . . ?
C27 C28 C39 107.7(2) . . ?
C28 C29 C33 119.6(2) . . ?
C28 C29 C30 119.8(2) . . ?
C33 C29 C30 108.4(2) . . ?
C25 C30 C29 120.4(2) . . ?
C25 C30 C31 120.1(2) . . ?
C29 C30 C31 107.6(2) . . ?
C59 C31 C32 120.0(2) . . ?
C59 C31 C30 120.2(2) . . ?
C32 C31 C30 107.9(2) . . ?
C2 C32 C31 120.6(2) . . ?
C2 C32 C33 119.50(19) . . ?
C31 C32 C33 108.0(2) . . ?
C34 C33 C29 121.0(2) . . ?
C34 C33 C32 119.1(2) . . ?
C29 C33 C32 108.0(2) . . ?
C33 C34 C35 120.95(19) . . ?
C33 C34 C38 119.0(2) . . ?
C35 C34 C38 107.95(18) . . ?
C1 C35 C34 120.20(18) . . ?
C1 C35 C36 119.79(19) . . ?
C34 C35 C36 108.16(18) . . ?
C53 C36 C35 120.48(18) . . ?
C53 C36 C37 119.71(17) . . ?
C35 C36 C37 107.93(19) . . ?
C42 C37 C38 120.87(19) . . ?
C42 C37 C36 119.62(19) . . ?
C38 C37 C36 107.73(17) . . ?
C39 C38 C37 119.6(2) . . ?
C39 C38 C34 120.3(2) . . ?
C37 C38 C34 108.22(19) . . ?
C38 C39 C40 120.1(2) . . ?
C38 C39 C28 120.1(2) . . ?
C40 C39 C28 107.9(2) . . ?
C41 C40 C54 119.8(2) . . ?
C41 C40 C39 120.1(2) . . ?
C54 C40 C39 108.1(2) . . ?
C40 C41 C42 119.52(19) . . ?
C40 C41 C45 120.33(19) . . ?
C42 C41 C45 108.26(18) . . ?
C37 C42 C43 120.00(18) . . ?
C37 C42 C41 119.82(19) . . ?
C43 C42 C41 108.10(17) . . ?
C52 C43 C42 120.10(17) . . ?
C52 C43 C44 119.86(19) . . ?
C42 C43 C44 107.92(18) . . ?
C49 C44 C45 119.7(2) . . ?
C49 C44 C43 120.0(2) . . ?
C45 C44 C43 108.01(19) . . ?
C46 C45 C44 120.6(2) . . ?
C46 C45 C41 119.6(2) . . ?
C44 C45 C41 107.71(18) . . ?
C45 C46 C55 120.0(2) . . ?
C45 C46 C47 119.4(2) . . ?
C55 C46 C47 108.60(19) . . ?
C48 C47 C46 119.25(19) . . ?
C48 C47 C20 121.0(2) . . ?
C46 C47 C20 107.6(2) . . ?
C47 C48 C14 119.4(2) . . ?
C47 C48 C49 120.8(2) . . ?
C14 C48 C49 107.9(2) . . ?
C44 C49 C48 120.2(2) . . ?
C44 C49 C50 120.1(2) . . ?
C48 C49 C50 108.1(2) . . ?
C51 C50 C13 120.1(2) . . ?
C51 C50 C49 120.1(2) . . ?
C13 C50 C49 107.5(2) . . ?
C50 C51 C52 119.7(2) . . ?
C50 C51 C7 120.1(2) . . ?
C52 C51 C7 107.89(18) . . ?
C43 C52 C53 120.2(2) . . ?
C43 C52 C51 120.20(19) . . ?
C53 C52 C51 108.17(18) . . ?
C36 C53 C52 120.43(18) . . ?
C36 C53 C6 120.10(18) . . ?
C52 C53 C6 107.66(18) . . ?
C55 C54 C40 120.4(2) . . ?
C55 C54 C27 119.3(2) . . ?
C40 C54 C27 108.3(2) . . ?
C54 C55 C46 119.8(2) . . ?
C54 C55 C21 120.0(2) . . ?
C46 C55 C21 108.4(2) . . ?
C17 C56 C60 120.0(2) . . ?
C17 C56 C57 119.2(3) . . ?
C60 C56 C57 108.7(2) . . ?
C10 C57 C58 120.4(2) . . ?
C10 C57 C56 120.1(2) . . ?
C58 C57 C56 107.4(2) . . ?
C3 C58 C59 120.4(2) . . ?
C3 C58 C57 119.2(2) . . ?
C59 C58 C57 108.5(2) . . ?
C31 C59 C58 120.1(2) . . ?
C31 C59 C60 120.1(2) . . ?
C58 C59 C60 108.0(2) . . ?
C24 C60 C56 120.9(2) . . ?
C24 C60 C59 119.8(2) . . ?
C56 C60 C59 107.4(2) . . ?
N3P Ni1P N4P 89.96(5) . . ?
N3P Ni1P N1P 179.23(5) . . ?
N4P Ni1P N1P 89.94(5) . . ?
N3P Ni1P N2P 89.89(5) . . ?
N4P Ni1P N2P 179.39(5) . . ?
N1P Ni1P N2P 90.21(5) . . ?
C4P N1P C1P 104.42(10) . . ?
C4P N1P Ni1P 127.60(8) . . ?
C1P N1P Ni1P 127.95(9) . . ?
C6P N2P C9P 104.53(10) . . ?
C6P N2P Ni1P 127.52(8) . . ?
C9P N2P Ni1P 127.94(9) . . ?
C11P N3P C14P 104.46(10) . . ?
C11P N3P Ni1P 127.90(9) . . ?
C14P N3P Ni1P 127.63(8) . . ?
C16P N4P C19P 104.39(10) . . ?
C16P N4P Ni1P 127.96(9) . . ?
C19P N4P Ni1P 127.65(9) . . ?
C20P C1P N1P 124.62(12) . . ?
C20P C1P C2P 124.02(11) . . ?
N1P C1P C2P 111.33(11) . . ?
C3P C2P C1P 106.40(11) . . ?
C3P C2P C21P 127.90(13) . . ?
C1P C2P C21P 125.70(12) . . ?
C2P C3P C4P 106.32(12) . . ?
C2P C3P C23P 128.79(12) . . ?
C4P C3P C23P 124.80(12) . . ?
N1P C4P C5P 125.21(11) . . ?
N1P C4P C3P 111.53(11) . . ?
C5P C4P C3P 123.15(12) . . ?
C4P C5P C6P 123.47(12) . . ?
N2P C6P C5P 125.12(11) . . ?
N2P C6P C7P 111.66(11) . . ?
C5P C6P C7P 123.12(12) . . ?
C8P C7P C6P 106.26(11) . . ?
C8P C7P C25P 128.75(11) . . ?
C6P C7P C25P 124.92(12) . . ?
C7P C8P C9P 106.34(11) . . ?
C7P C8P C27P 127.68(12) . . ?
C9P C8P C27P 125.97(12) . . ?
C10P C9P N2P 124.71(11) . . ?
C10P C9P C8P 124.07(11) . . ?
N2P C9P C8P 111.20(11) . . ?
C9P C10P C11P 123.86(11) . . ?
N3P C11P C10P 124.74(12) . . ?
N3P C11P C12P 111.47(11) . . ?
C10P C11P C12P 123.58(11) . . ?
C13P C12P C11P 106.32(11) . . ?
C13P C12P C29P 128.10(12) . . ?
C11P C12P C29P 125.54(12) . . ?
C12P C13P C14P 106.45(11) . . ?
C12P C13P C31P 128.45(12) . . ?
C14P C13P C31P 125.06(12) . . ?
C15P C14P N3P 124.99(12) . . ?
C15P C14P C13P 123.66(12) . . ?
N3P C14P C13P 111.24(11) . . ?
C14P C15P C16P 123.77(12) . . ?
N4P C16P C15P 124.48(11) . . ?
N4P C16P C17P 111.50(11) . . ?
C15P C16P C17P 123.81(12) . . ?
C18P C17P C16P 106.27(12) . . ?
C18P C17P C33P 128.26(12) . . ?
C16P C17P C33P 125.46(13) . . ?
C17P C18P C19P 106.40(11) . . ?
C17P C18P C35P 128.15(13) . . ?
C19P C18P C35P 125.45(13) . . ?
C20P C19P N4P 124.99(12) . . ?
C20P C19P C18P 123.51(12) . . ?
N4P C19P C18P 111.38(12) . . ?
C19P C20P C1P 123.81(11) . . ?
C2P C21P C22P 113.38(14) . . ?
C3P C23P C24P 113.09(12) . . ?
C7P C25P C26P 113.39(12) . . ?
C8P C27P C28P 113.42(12) . . ?
C12P C29P C30P 113.18(14) . . ?
C13P C31P C32P 112.42(14) . . ?
C17P C33P C34P 113.13(15) . . ?
C18P C35P C36P 114.39(14) . . ?
C12S C7S C8S 118.5(2) . . ?
C9S C8S C7S 119.2(2) . . ?
C10S C9S C8S 121.3(2) . . ?
C9S C10S C11S 119.6(2) . . ?
C10S C11S C12S 120.8(2) . . ?
C11S C12S C7S 120.6(2) . . ?
C6S C1S C2S 119.5(2) . . ?
C3S C2S C1S 120.2(2) . . ?
C2S C3S C4S 120.5(2) . . ?
C3S C4S C5S 119.2(2) . . ?
C6S C5S C4S 119.9(2) . . ?
C1S C6S C5S 120.6(2) . . ?

_refine_diff_density_max         0.524
_refine_diff_density_min         -0.752
_refine_diff_density_rms         0.072


