# Electronic Supplementary Material (ESI) for Dalton Transactions
# This journal is © The Royal Society of Chemistry 2013

#######################################################################
#
#                 Cambridge Crystallographic Data Centre
#                                CCDC 
# 
#######################################################################
# 
#  This CIF contains data from an original supplementary publication
#  deposited with the CCDC, and may include chemical, crystal,
#  experimental, refinement, atomic coordinates,
#  anisotropic displacement parameters and molecular geometry data,
#  as required by the journal to which it was submitted.
#
#  This CIF is provided on the understanding that it is used for bona
#  fide research purposes only. It may contain copyright material
#  of the CCDC or of third parties, and may not be copied or further
#  disseminated in any form, whether machine-readable or not,
#  except for the purpose of generating routine backup copies
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#  data retrieval see:
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#  from this site to visualise CIF-encoded structures and 
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data_100513a
#TrackingRef '3a-Y.cif'


_audit_creation_method           SHELXL-97
_chemical_name_systematic        
;
?
;
_chemical_name_common            ?
_chemical_melting_point          ?
_chemical_formula_moiety         ?
_chemical_formula_sum            'C44 H60 Cl2 N7 O3 Si2 Y3'
_chemical_formula_weight         1128.80

loop_
_atom_type_symbol
_atom_type_description
_atom_type_scat_dispersion_real
_atom_type_scat_dispersion_imag
_atom_type_scat_source
C C 0.0033 0.0016 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
H H 0.0000 0.0000 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
N N 0.0061 0.0033 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
O O 0.0106 0.0060 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Si Si 0.0817 0.0704 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Cl Cl 0.1484 0.1585 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Y Y -2.7962 3.5667 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'

_symmetry_cell_setting           Monoclinic
_symmetry_space_group_name_H-M   P2(1)/n

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

_cell_length_a                   15.2219(17)
_cell_length_b                   15.9498(18)
_cell_length_c                   21.121(2)
_cell_angle_alpha                90.00
_cell_angle_beta                 92.884(2)
_cell_angle_gamma                90.00
_cell_volume                     5121.4(10)
_cell_formula_units_Z            4
_cell_measurement_temperature    293(2)
_cell_measurement_reflns_used    9947
_cell_measurement_theta_min      2.32
_cell_measurement_theta_max      27.14

_exptl_crystal_description       block
_exptl_crystal_colour            'light brown'
_exptl_crystal_size_max          0.12
_exptl_crystal_size_mid          0.11
_exptl_crystal_size_min          0.10
_exptl_crystal_density_meas      ?
_exptl_crystal_density_diffrn    1.464
_exptl_crystal_density_method    'not measured'
_exptl_crystal_F_000             2304
_exptl_absorpt_coefficient_mu    3.566
_exptl_absorpt_correction_type   none
_exptl_absorpt_correction_T_min  0.6742
_exptl_absorpt_correction_T_max  0.7169
_exptl_absorpt_process_details   ?

_exptl_special_details           
;
?
;

_diffrn_ambient_temperature      293(2)
_diffrn_radiation_wavelength     0.71073
_diffrn_radiation_type           MoK\a
_diffrn_radiation_source         'fine-focus sealed tube'
_diffrn_radiation_monochromator  graphite
_diffrn_measurement_device_type  'CCD area detector'
_diffrn_measurement_method       'phi and omega scans'
_diffrn_detector_area_resol_mean ?
_diffrn_standards_number         ?
_diffrn_standards_interval_count ?
_diffrn_standards_interval_time  ?
_diffrn_standards_decay_%        ?
_diffrn_reflns_number            42158
_diffrn_reflns_av_R_equivalents  0.0617
_diffrn_reflns_av_sigmaI/netI    0.0650
_diffrn_reflns_limit_h_min       -19
_diffrn_reflns_limit_h_max       19
_diffrn_reflns_limit_k_min       -20
_diffrn_reflns_limit_k_max       20
_diffrn_reflns_limit_l_min       -26
_diffrn_reflns_limit_l_max       26
_diffrn_reflns_theta_min         1.60
_diffrn_reflns_theta_max         27.00
_reflns_number_total             11137
_reflns_number_gt                6918
_reflns_threshold_expression     >2sigma(I)

_computing_data_collection       'Bruker SMART'
_computing_cell_refinement       'Bruker SMART'
_computing_data_reduction        'Bruker SAINT'
_computing_structure_solution    'SHELXS-97 (Sheldrick, 1990)'
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 1997)'
_computing_molecular_graphics    'Bruker SHELXTL'
_computing_publication_material  'Bruker SHELXTL'

_refine_special_details          
;
Refinement of F^2^ against ALL reflections. The weighted R-factor wR and
goodness of fit S are based on F^2^, conventional R-factors R are based
on F, with F set to zero for negative F^2^. The threshold expression of
F^2^ > 2sigma(F^2^) is used only for calculating R-factors(gt) etc. and is
not relevant to the choice of reflections for refinement. R-factors based
on F^2^ are statistically about twice as large as those based on F, and R-
factors based on ALL data will be even larger.
;

_refine_ls_structure_factor_coef Fsqd
_refine_ls_matrix_type           full
_refine_ls_weighting_scheme      calc
_refine_ls_weighting_details     
'calc w=1/[\s^2^(Fo^2^)+(0.0421P)^2^+4.9202P] where P=(Fo^2^+2Fc^2^)/3'
_atom_sites_solution_primary     direct
_atom_sites_solution_secondary   difmap
_atom_sites_solution_hydrogens   geom
_refine_ls_hydrogen_treatment    mixed
_refine_ls_extinction_method     none
_refine_ls_extinction_coef       ?
_refine_ls_number_reflns         11137
_refine_ls_number_parameters     564
_refine_ls_number_restraints     300
_refine_ls_R_factor_all          0.0973
_refine_ls_R_factor_gt           0.0459
_refine_ls_wR_factor_ref         0.1122
_refine_ls_wR_factor_gt          0.0923
_refine_ls_goodness_of_fit_ref   1.004
_refine_ls_restrained_S_all      1.043
_refine_ls_shift/su_max          0.000
_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_symmetry_multiplicity
_atom_site_calc_flag
_atom_site_refinement_flags
_atom_site_disorder_assembly
_atom_site_disorder_group
Y1 Y 0.20702(3) 0.24838(3) 0.00906(2) 0.04052(12) Uani 1 1 d . . .
Y2 Y 0.38606(3) 0.22315(3) 0.11426(2) 0.04034(12) Uani 1 1 d . . .
Y3 Y 0.20036(3) 0.25473(2) 0.20081(2) 0.03755(11) Uani 1 1 d . . .
Cl1 Cl 0.32177(8) 0.11231(8) 0.02487(6) 0.0577(3) Uani 1 1 d . . .
Cl2 Cl 0.35962(7) 0.33926(7) 0.20428(5) 0.0494(3) Uani 1 1 d . . .
Si1 Si 0.59040(9) 0.32558(11) 0.10316(8) 0.0681(4) Uani 1 1 d . . .
Si2 Si 0.58882(9) 0.14215(10) 0.13266(7) 0.0607(4) Uani 1 1 d . . .
O1 O 0.23958(17) 0.25021(16) 0.10641(13) 0.0380(6) Uani 1 1 d . . .
O2 O 0.1760(2) 0.1834(2) -0.09313(16) 0.0660(9) Uani 1 1 d U . .
O3 O 0.2021(2) 0.3145(2) 0.30496(15) 0.0570(8) Uani 1 1 d U . .
N1 N 0.0671(3) 0.1887(2) 0.02347(19) 0.0543(10) Uani 1 1 d U . .
N2 N 0.0970(3) 0.3563(2) 0.0022(2) 0.0660(12) Uani 1 1 d U . .
N3 N 0.3652(2) 0.3168(3) 0.02303(18) 0.0516(10) Uani 1 1 d U . .
N4 N 0.0944(2) 0.3601(2) 0.18135(18) 0.0484(9) Uani 1 1 d U . .
N5 N 0.0538(2) 0.1965(2) 0.2071(2) 0.0600(11) Uani 1 1 d U . .
N6 N 0.3222(2) 0.1342(2) 0.19567(17) 0.0435(9) Uani 1 1 d U . .
N7 N 0.5348(2) 0.2342(3) 0.11837(18) 0.0527(10) Uani 1 1 d . . .
C1 C 0.0001(3) 0.2471(3) 0.0250(2) 0.0533(11) Uani 1 1 d U . .
C2 C -0.0792(4) 0.2074(4) 0.0342(3) 0.0752(15) Uani 1 1 d U . .
H2 H -0.1338 0.2329 0.0371 0.090 Uiso 1 1 calc R . .
C3 C -0.0615(4) 0.1241(4) 0.0380(3) 0.0880(18) Uani 1 1 d U . .
H3 H -0.1021 0.0816 0.0439 0.106 Uiso 1 1 calc R . .
C4 C 0.0280(4) 0.1142(4) 0.0315(3) 0.0762(16) Uani 1 1 d U . .
H4 H 0.0571 0.0629 0.0326 0.091 Uiso 1 1 calc R . .
C5 C 0.0202(3) 0.3316(4) 0.0157(3) 0.0622(14) Uani 1 1 d U . .
H5 H -0.028(3) 0.369(3) 0.016(2) 0.071(16) Uiso 1 1 d . . .
C6 C 0.1181(4) 0.4471(4) -0.0002(4) 0.106(2) Uani 1 1 d U . .
H6A H 0.0669 0.4768 -0.0179 0.127 Uiso 1 1 calc R . .
H6B H 0.1294 0.4671 0.0428 0.127 Uiso 1 1 calc R . .
C7 C 0.1909(4) 0.4678(3) -0.0361(3) 0.0824(17) Uani 1 1 d U . .
H7A H 0.2110 0.5237 -0.0244 0.099 Uiso 1 1 calc R . .
H7B H 0.1722 0.4689 -0.0807 0.099 Uiso 1 1 calc R . .
C8 C 0.3075(3) 0.3830(3) 0.0297(2) 0.0508(11) Uani 1 1 d U . .
H8 H 0.2977 0.4082 0.0684 0.061 Uiso 1 1 calc R . .
C9 C 0.2658(3) 0.4081(3) -0.0269(3) 0.0609(13) Uani 1 1 d U . .
C10 C 0.3028(3) 0.3581(4) -0.0740(2) 0.0622(13) Uani 1 1 d U . .
C11 C 0.2903(4) 0.3541(5) -0.1409(3) 0.0859(18) Uani 1 1 d U . .
H11 H 0.2511 0.3899 -0.1626 0.103 Uiso 1 1 calc R . .
C12 C 0.3372(4) 0.2969(6) -0.1723(3) 0.101(2) Uani 1 1 d U . .
H12 H 0.3298 0.2938 -0.2162 0.121 Uiso 1 1 calc R . .
C13 C 0.3967(4) 0.2419(5) -0.1406(3) 0.099(2) Uani 1 1 d U . .
H13 H 0.4267 0.2027 -0.1639 0.119 Uiso 1 1 calc R . .
C14 C 0.4114(3) 0.2448(4) -0.0763(3) 0.0801(17) Uani 1 1 d U . .
H14 H 0.4518 0.2090 -0.0557 0.096 Uiso 1 1 calc R . .
C15 C 0.3642(3) 0.3030(4) -0.0425(2) 0.0573(12) Uani 1 1 d U . .
C16 C 0.0083(3) 0.3334(3) 0.1810(2) 0.0501(11) Uani 1 1 d U . .
C17 C -0.0482(3) 0.4003(3) 0.1717(3) 0.0759(16) Uani 1 1 d U . .
H17 H -0.1093 0.3983 0.1691 0.091 Uiso 1 1 calc R . .
C18 C 0.0036(4) 0.4706(4) 0.1668(3) 0.0898(18) Uani 1 1 d U . .
H18 H -0.0158 0.5254 0.1608 0.108 Uiso 1 1 calc R . .
C19 C 0.0901(4) 0.4436(3) 0.1725(3) 0.0715(15) Uani 1 1 d U . .
H19 H 0.1388 0.4786 0.1705 0.086 Uiso 1 1 calc R . .
C20 C -0.0083(3) 0.2483(3) 0.1928(3) 0.0526(12) Uani 1 1 d U . .
H20 H -0.064(3) 0.231(2) 0.1905(19) 0.042(12) Uiso 1 1 d . . .
C21 C 0.0320(4) 0.1114(4) 0.2259(4) 0.107(2) Uani 1 1 d U . .
H21A H 0.0130 0.1133 0.2690 0.129 Uiso 1 1 calc R . .
H21B H -0.0178 0.0928 0.1990 0.129 Uiso 1 1 calc R . .
C22 C 0.0968(3) 0.0519(3) 0.2233(4) 0.0898(18) Uani 1 1 d U . .
H22A H 0.0880 0.0217 0.1837 0.108 Uiso 1 1 calc R . .
H22B H 0.0891 0.0121 0.2573 0.108 Uiso 1 1 calc R . .
C23 C 0.2430(3) 0.0960(3) 0.1791(3) 0.0530(12) Uani 1 1 d U . .
H23 H 0.2270 0.0807 0.1376 0.064 Uiso 1 1 calc R . .
C24 C 0.1900(3) 0.0824(3) 0.2283(3) 0.0582(12) Uani 1 1 d U . .
C25 C 0.2411(3) 0.1089(3) 0.2829(3) 0.0554(12) Uani 1 1 d U . .
C26 C 0.2278(4) 0.1091(4) 0.3487(3) 0.0755(16) Uani 1 1 d U . .
H26 H 0.1754 0.0895 0.3640 0.091 Uiso 1 1 calc R . .
C27 C 0.2924(5) 0.1380(4) 0.3889(3) 0.0825(18) Uani 1 1 d U . .
H27 H 0.2842 0.1379 0.4322 0.099 Uiso 1 1 calc R . .
C28 C 0.3712(4) 0.1681(4) 0.3669(3) 0.0747(15) Uani 1 1 d U . .
H28 H 0.4142 0.1878 0.3960 0.090 Uiso 1 1 calc R . .
C29 C 0.3873(3) 0.1696(3) 0.3037(2) 0.0597(13) Uani 1 1 d U . .
H29 H 0.4402 0.1901 0.2897 0.072 Uiso 1 1 calc R . .
C30 C 0.3220(3) 0.1395(3) 0.2612(2) 0.0459(11) Uani 1 1 d U . .
C31 C 0.7001(4) 0.3336(5) 0.1485(4) 0.121(3) Uani 1 1 d . . .
H31A H 0.6921 0.3254 0.1929 0.181 Uiso 1 1 calc R . .
H31B H 0.7249 0.3881 0.1420 0.181 Uiso 1 1 calc R . .
H31C H 0.7391 0.2915 0.1337 0.181 Uiso 1 1 calc R . .
C32 C 0.5310(4) 0.4221(4) 0.1238(3) 0.098(2) Uani 1 1 d . . .
H32A H 0.4781 0.4269 0.0973 0.147 Uiso 1 1 calc R . .
H32B H 0.5678 0.4700 0.1173 0.147 Uiso 1 1 calc R . .
H32C H 0.5163 0.4197 0.1674 0.147 Uiso 1 1 calc R . .
C33 C 0.6143(5) 0.3372(5) 0.0175(3) 0.113(3) Uani 1 1 d . . .
H33A H 0.5601 0.3374 -0.0078 0.170 Uiso 1 1 calc R . .
H33B H 0.6501 0.2911 0.0048 0.170 Uiso 1 1 calc R . .
H33C H 0.6450 0.3889 0.0114 0.170 Uiso 1 1 calc R . .
C34 C 0.5118(4) 0.0526(4) 0.1253(4) 0.103(2) Uani 1 1 d . . .
H34A H 0.5435 0.0013 0.1328 0.155 Uiso 1 1 calc R . .
H34B H 0.4843 0.0518 0.0834 0.155 Uiso 1 1 calc R . .
H34C H 0.4676 0.0583 0.1559 0.155 Uiso 1 1 calc R . .
C35 C 0.6777(5) 0.1186(5) 0.0777(3) 0.116(3) Uani 1 1 d . . .
H35A H 0.7129 0.0730 0.0944 0.173 Uiso 1 1 calc R . .
H35B H 0.7139 0.1673 0.0734 0.173 Uiso 1 1 calc R . .
H35C H 0.6519 0.1033 0.0369 0.173 Uiso 1 1 calc R . .
C36 C 0.6392(5) 0.1326(5) 0.2144(3) 0.110(2) Uani 1 1 d . . .
H36A H 0.6691 0.0797 0.2189 0.165 Uiso 1 1 calc R . .
H36B H 0.5940 0.1358 0.2445 0.165 Uiso 1 1 calc R . .
H36C H 0.6805 0.1773 0.2222 0.165 Uiso 1 1 calc R . .
C37 C 0.2013(5) 0.1034(4) -0.1167(3) 0.109(2) Uani 1 1 d U . .
H37A H 0.2591 0.1070 -0.1338 0.131 Uiso 1 1 calc R . .
H37B H 0.2038 0.0626 -0.0826 0.131 Uiso 1 1 calc R . .
C38 C 0.1384(6) 0.0783(5) -0.1648(4) 0.142(3) Uani 1 1 d U . .
H38A H 0.1155 0.0231 -0.1555 0.171 Uiso 1 1 calc R . .
H38B H 0.1650 0.0762 -0.2055 0.171 Uiso 1 1 calc R . .
C39 C 0.0689(6) 0.1396(6) -0.1659(4) 0.148(3) Uani 1 1 d U . .
H39A H 0.0527 0.1556 -0.2092 0.177 Uiso 1 1 calc R . .
H39B H 0.0174 0.1167 -0.1469 0.177 Uiso 1 1 calc R . .
C40 C 0.1006(4) 0.2108(4) -0.1308(3) 0.0955(19) Uani 1 1 d U . .
H40A H 0.0557 0.2317 -0.1038 0.115 Uiso 1 1 calc R . .
H40B H 0.1167 0.2553 -0.1593 0.115 Uiso 1 1 calc R . .
C41 C 0.1212(4) 0.3180(5) 0.3367(3) 0.0971(19) Uani 1 1 d U . .
H41A H 0.1008 0.2618 0.3453 0.116 Uiso 1 1 calc R . .
H41B H 0.0765 0.3464 0.3102 0.116 Uiso 1 1 calc R . .
C42 C 0.1372(4) 0.3631(5) 0.3951(3) 0.107(2) Uani 1 1 d U . .
H42A H 0.1043 0.4152 0.3940 0.129 Uiso 1 1 calc R . .
H42B H 0.1185 0.3298 0.4304 0.129 Uiso 1 1 calc R . .
C43 C 0.2295(4) 0.3803(5) 0.4028(3) 0.0952(19) Uani 1 1 d U . .
H43A H 0.2576 0.3424 0.4336 0.114 Uiso 1 1 calc R . .
H43B H 0.2395 0.4375 0.4171 0.114 Uiso 1 1 calc R . .
C44 C 0.2650(4) 0.3675(4) 0.3390(3) 0.0766(16) Uani 1 1 d U . .
H44A H 0.2708 0.4206 0.3173 0.092 Uiso 1 1 calc R . .
H44B H 0.3222 0.3406 0.3427 0.092 Uiso 1 1 calc R . .

loop_
_atom_site_aniso_label
_atom_site_aniso_U_11
_atom_site_aniso_U_22
_atom_site_aniso_U_33
_atom_site_aniso_U_23
_atom_site_aniso_U_13
_atom_site_aniso_U_12
Y1 0.0333(2) 0.0448(2) 0.0431(3) -0.0018(2) -0.00146(18) -0.00053(19)
Y2 0.0282(2) 0.0525(3) 0.0405(3) -0.0027(2) 0.00402(17) 0.00079(19)
Y3 0.0313(2) 0.0367(2) 0.0453(3) -0.00146(19) 0.00908(17) -0.00207(17)
Cl1 0.0562(7) 0.0591(7) 0.0571(8) -0.0148(6) -0.0043(6) 0.0143(6)
Cl2 0.0437(6) 0.0519(7) 0.0536(7) -0.0119(5) 0.0110(5) -0.0131(5)
Si1 0.0416(8) 0.0952(12) 0.0689(10) -0.0131(9) 0.0161(7) -0.0233(8)
Si2 0.0357(7) 0.0923(11) 0.0542(9) -0.0043(8) 0.0019(6) 0.0107(7)
O1 0.0298(14) 0.0412(16) 0.0430(17) -0.0003(13) 0.0022(12) -0.0005(12)
O2 0.065(2) 0.078(2) 0.053(2) -0.0176(18) -0.0093(17) 0.0018(19)
O3 0.051(2) 0.068(2) 0.054(2) -0.0132(17) 0.0159(16) -0.0048(16)
N1 0.047(2) 0.056(2) 0.060(2) 0.000(2) 0.0035(19) -0.0104(19)
N2 0.047(2) 0.049(2) 0.103(3) 0.018(2) 0.005(2) 0.0045(19)
N3 0.039(2) 0.068(3) 0.048(2) 0.008(2) 0.0006(17) -0.0105(19)
N4 0.041(2) 0.039(2) 0.066(2) 0.0001(18) 0.0047(18) 0.0026(17)
N5 0.038(2) 0.044(2) 0.099(3) 0.015(2) 0.007(2) -0.0069(18)
N6 0.044(2) 0.0377(19) 0.050(2) -0.0011(17) 0.0054(17) 0.0013(16)
N7 0.0310(19) 0.078(3) 0.050(2) -0.009(2) 0.0063(17) -0.0026(19)
C1 0.038(2) 0.068(3) 0.054(3) -0.001(2) 0.003(2) -0.006(2)
C2 0.045(3) 0.092(4) 0.089(4) -0.001(3) 0.012(3) -0.015(3)
C3 0.067(4) 0.085(4) 0.113(4) 0.003(4) 0.018(3) -0.035(3)
C4 0.070(3) 0.062(3) 0.097(4) -0.003(3) 0.013(3) -0.019(3)
C5 0.040(3) 0.069(3) 0.077(3) 0.009(3) 0.000(3) 0.009(3)
C6 0.083(4) 0.065(4) 0.170(5) 0.034(4) 0.018(4) 0.014(3)
C7 0.068(4) 0.060(3) 0.119(4) 0.033(3) 0.005(3) -0.004(3)
C8 0.044(3) 0.052(3) 0.056(3) 0.007(2) 0.001(2) -0.014(2)
C9 0.052(3) 0.058(3) 0.072(3) 0.022(3) 0.003(3) -0.013(2)
C10 0.040(3) 0.093(3) 0.053(3) 0.022(3) 0.000(2) -0.016(2)
C11 0.060(3) 0.144(5) 0.053(3) 0.026(3) -0.001(3) -0.011(3)
C12 0.065(4) 0.188(6) 0.051(4) 0.006(4) 0.012(3) -0.011(4)
C13 0.053(3) 0.183(6) 0.062(4) -0.014(4) 0.021(3) 0.003(4)
C14 0.043(3) 0.141(5) 0.058(3) 0.001(3) 0.011(3) 0.003(3)
C15 0.034(2) 0.093(3) 0.045(3) 0.008(3) 0.005(2) -0.011(2)
C16 0.040(2) 0.045(2) 0.065(3) 0.000(2) 0.003(2) 0.001(2)
C17 0.046(3) 0.063(3) 0.117(4) -0.003(3) -0.012(3) 0.012(3)
C18 0.067(4) 0.050(3) 0.151(5) 0.001(3) -0.009(4) 0.013(3)
C19 0.055(3) 0.044(3) 0.115(4) 0.004(3) -0.002(3) -0.003(2)
C20 0.031(2) 0.058(3) 0.070(3) 0.003(2) 0.008(2) -0.007(2)
C21 0.062(4) 0.060(3) 0.199(6) 0.038(4) 0.003(4) -0.016(3)
C22 0.052(3) 0.047(3) 0.171(5) 0.024(3) 0.015(3) -0.009(3)
C23 0.053(3) 0.032(2) 0.074(3) 0.002(2) -0.001(2) 0.000(2)
C24 0.045(3) 0.035(2) 0.095(4) 0.014(2) 0.009(3) -0.002(2)
C25 0.054(3) 0.044(2) 0.071(3) 0.021(2) 0.026(2) 0.015(2)
C26 0.081(4) 0.069(3) 0.080(4) 0.029(3) 0.037(3) 0.023(3)
C27 0.110(5) 0.082(4) 0.057(4) 0.020(3) 0.025(3) 0.031(4)
C28 0.091(4) 0.081(4) 0.052(3) 0.006(3) -0.002(3) 0.014(3)
C29 0.060(3) 0.061(3) 0.058(3) 0.007(2) 0.002(3) 0.010(2)
C30 0.048(2) 0.040(2) 0.050(3) 0.008(2) 0.008(2) 0.011(2)
C31 0.062(4) 0.158(7) 0.141(7) -0.017(6) -0.012(4) -0.040(5)
C32 0.084(5) 0.089(5) 0.123(6) -0.007(4) 0.026(4) -0.041(4)
C33 0.114(6) 0.145(7) 0.083(5) -0.001(5) 0.033(4) -0.051(5)
C34 0.077(4) 0.081(4) 0.150(7) -0.001(4) -0.017(4) 0.015(4)
C35 0.100(5) 0.137(7) 0.114(6) 0.008(5) 0.053(4) 0.053(5)
C36 0.106(6) 0.142(7) 0.079(5) 0.002(4) -0.020(4) 0.011(5)
C37 0.112(5) 0.111(5) 0.102(4) -0.050(4) -0.027(4) 0.017(4)
C38 0.168(6) 0.119(5) 0.134(5) -0.044(5) -0.064(5) 0.013(5)
C39 0.133(6) 0.151(6) 0.151(6) -0.040(5) -0.070(5) 0.004(5)
C40 0.096(4) 0.112(4) 0.074(4) -0.020(3) -0.033(3) 0.021(4)
C41 0.073(4) 0.144(5) 0.076(4) -0.032(4) 0.018(3) -0.004(4)
C42 0.085(4) 0.160(5) 0.078(4) -0.035(4) 0.019(4) 0.010(4)
C43 0.097(4) 0.119(4) 0.071(4) -0.031(3) 0.028(3) -0.028(4)
C44 0.084(4) 0.079(3) 0.069(3) -0.024(3) 0.023(3) -0.025(3)

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

loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_site_symmetry_2
_geom_bond_publ_flag
Y1 O1 2.091(3) . ?
Y1 N1 2.366(4) . ?
Y1 N2 2.401(4) . ?
Y1 O2 2.420(3) . ?
Y1 N3 2.646(4) . ?
Y1 C8 2.660(4) . ?
Y1 Cl1 2.7954(12) . ?
Y1 C15 2.816(5) . ?
Y1 C9 2.817(5) . ?
Y1 C10 2.919(5) . ?
Y2 N7 2.268(3) . ?
Y2 O1 2.269(3) . ?
Y2 N3 2.446(4) . ?
Y2 N6 2.467(4) . ?
Y2 Cl2 2.6990(12) . ?
Y2 Cl1 2.7316(13) . ?
Y3 O1 2.111(3) . ?
Y3 N4 2.351(3) . ?
Y3 O3 2.397(3) . ?
Y3 N5 2.427(4) . ?
Y3 C23 2.659(4) . ?
Y3 N6 2.678(3) . ?
Y3 Cl2 2.7717(11) . ?
Y3 C24 2.815(4) . ?
Y3 C30 2.862(4) . ?
Y3 C25 2.948(4) . ?
Si1 N7 1.723(4) . ?
Si1 C32 1.849(7) . ?
Si1 C33 1.873(6) . ?
Si1 C31 1.887(6) . ?
Si2 N7 1.703(4) . ?
Si2 C34 1.849(6) . ?
Si2 C36 1.861(6) . ?
Si2 C35 1.865(6) . ?
O2 C37 1.429(7) . ?
O2 C40 1.431(6) . ?
O3 C41 1.431(6) . ?
O3 C44 1.441(6) . ?
N1 C4 1.344(6) . ?
N1 C1 1.382(6) . ?
N2 C5 1.280(6) . ?
N2 C6 1.485(7) . ?
N3 C8 1.386(6) . ?
N3 C15 1.401(6) . ?
N4 C19 1.347(6) . ?
N4 C16 1.377(5) . ?
N5 C20 1.280(6) . ?
N5 C21 1.457(6) . ?
N6 C23 1.380(5) . ?
N6 C30 1.387(5) . ?
C1 C2 1.386(7) . ?
C1 C5 1.398(7) . ?
C2 C3 1.357(8) . ?
C2 H2 0.9300 . ?
C3 C4 1.386(8) . ?
C3 H3 0.9300 . ?
C4 H4 0.9300 . ?
C5 H5 0.95(5) . ?
C6 C7 1.413(8) . ?
C6 H6A 0.9700 . ?
C6 H6B 0.9700 . ?
C7 C9 1.491(7) . ?
C7 H7A 0.9700 . ?
C7 H7B 0.9700 . ?
C8 C9 1.384(6) . ?
C8 H8 0.9300 . ?
C9 C10 1.414(7) . ?
C10 C11 1.418(7) . ?
C10 C15 1.424(7) . ?
C11 C12 1.352(9) . ?
C11 H11 0.9300 . ?
C12 C13 1.406(9) . ?
C12 H12 0.9300 . ?
C13 C14 1.366(8) . ?
C13 H13 0.9300 . ?
C14 C15 1.393(8) . ?
C14 H14 0.9300 . ?
C16 C17 1.378(6) . ?
C16 C20 1.405(6) . ?
C17 C18 1.377(8) . ?
C17 H17 0.9300 . ?
C18 C19 1.385(7) . ?
C18 H18 0.9300 . ?
C19 H19 0.9300 . ?
C20 H20 0.88(4) . ?
C21 C22 1.371(7) . ?
C21 H21A 0.9700 . ?
C21 H21B 0.9700 . ?
C22 C24 1.499(7) . ?
C22 H22A 0.9700 . ?
C22 H22B 0.9700 . ?
C23 C24 1.364(7) . ?
C23 H23 0.9300 . ?
C24 C25 1.423(7) . ?
C25 C26 1.415(7) . ?
C25 C30 1.421(6) . ?
C26 C27 1.347(8) . ?
C26 H26 0.9300 . ?
C27 C28 1.393(8) . ?
C27 H27 0.9300 . ?
C28 C29 1.369(7) . ?
C28 H28 0.9300 . ?
C29 C30 1.392(6) . ?
C29 H29 0.9300 . ?
C31 H31A 0.9600 . ?
C31 H31B 0.9600 . ?
C31 H31C 0.9600 . ?
C32 H32A 0.9600 . ?
C32 H32B 0.9600 . ?
C32 H32C 0.9600 . ?
C33 H33A 0.9600 . ?
C33 H33B 0.9600 . ?
C33 H33C 0.9600 . ?
C34 H34A 0.9600 . ?
C34 H34B 0.9600 . ?
C34 H34C 0.9600 . ?
C35 H35A 0.9600 . ?
C35 H35B 0.9600 . ?
C35 H35C 0.9600 . ?
C36 H36A 0.9600 . ?
C36 H36B 0.9600 . ?
C36 H36C 0.9600 . ?
C37 C38 1.418(8) . ?
C37 H37A 0.9700 . ?
C37 H37B 0.9700 . ?
C38 C39 1.440(10) . ?
C38 H38A 0.9700 . ?
C38 H38B 0.9700 . ?
C39 C40 1.427(9) . ?
C39 H39A 0.9700 . ?
C39 H39B 0.9700 . ?
C40 H40A 0.9700 . ?
C40 H40B 0.9700 . ?
C41 C42 1.439(8) . ?
C41 H41A 0.9700 . ?
C41 H41B 0.9700 . ?
C42 C43 1.433(8) . ?
C42 H42A 0.9700 . ?
C42 H42B 0.9700 . ?
C43 C44 1.492(7) . ?
C43 H43A 0.9700 . ?
C43 H43B 0.9700 . ?
C44 H44A 0.9700 . ?
C44 H44B 0.9700 . ?

loop_
_geom_angle_atom_site_label_1
_geom_angle_atom_site_label_2
_geom_angle_atom_site_label_3
_geom_angle
_geom_angle_site_symmetry_1
_geom_angle_site_symmetry_3
_geom_angle_publ_flag
O1 Y1 N1 92.84(12) . . ?
O1 Y1 N2 100.35(13) . . ?
N1 Y1 N2 70.51(14) . . ?
O1 Y1 O2 155.40(11) . . ?
N1 Y1 O2 78.79(13) . . ?
N2 Y1 O2 98.56(14) . . ?
O1 Y1 N3 73.45(11) . . ?
N1 Y1 N3 166.21(13) . . ?
N2 Y1 N3 109.83(13) . . ?
O2 Y1 N3 114.33(12) . . ?
O1 Y1 C8 73.84(13) . . ?
N1 Y1 C8 144.83(15) . . ?
N2 Y1 C8 79.90(15) . . ?
O2 Y1 C8 125.25(14) . . ?
N3 Y1 C8 30.28(13) . . ?
O1 Y1 Cl1 77.15(8) . . ?
N1 Y1 Cl1 103.51(10) . . ?
N2 Y1 Cl1 173.53(11) . . ?
O2 Y1 Cl1 82.34(9) . . ?
N3 Y1 Cl1 75.35(9) . . ?
C8 Y1 Cl1 104.87(11) . . ?
O1 Y1 C15 102.23(12) . . ?
N1 Y1 C15 164.11(14) . . ?
N2 Y1 C15 111.01(15) . . ?
O2 Y1 C15 85.37(14) . . ?
N3 Y1 C15 29.51(12) . . ?
C8 Y1 C15 47.23(16) . . ?
Cl1 Y1 C15 75.42(12) . . ?
O1 Y1 C9 100.93(14) . . ?
N1 Y1 C9 134.31(15) . . ?
N2 Y1 C9 64.25(15) . . ?
O2 Y1 C9 101.39(15) . . ?
N3 Y1 C9 50.03(13) . . ?
C8 Y1 C9 29.09(14) . . ?
Cl1 Y1 C9 121.95(11) . . ?
C15 Y1 C9 47.82(16) . . ?
O1 Y1 C10 118.80(13) . . ?
N1 Y1 C10 142.96(13) . . ?
N2 Y1 C10 84.36(15) . . ?
O2 Y1 C10 78.58(14) . . ?
N3 Y1 C10 48.77(12) . . ?
C8 Y1 C10 46.69(15) . . ?
Cl1 Y1 C10 102.08(12) . . ?
C15 Y1 C10 28.67(14) . . ?
C9 Y1 C10 28.46(15) . . ?
N7 Y2 O1 164.42(12) . . ?
N7 Y2 N3 94.16(13) . . ?
O1 Y2 N3 74.81(11) . . ?
N7 Y2 N6 116.47(13) . . ?
O1 Y2 N6 74.94(11) . . ?
N3 Y2 N6 149.35(12) . . ?
N7 Y2 Cl2 95.94(10) . . ?
O1 Y2 Cl2 74.94(7) . . ?
N3 Y2 Cl2 96.78(10) . . ?
N6 Y2 Cl2 79.96(9) . . ?
N7 Y2 Cl1 113.53(10) . . ?
O1 Y2 Cl1 75.88(7) . . ?
N3 Y2 Cl1 79.79(10) . . ?
N6 Y2 Cl1 88.25(9) . . ?
Cl2 Y2 Cl1 150.47(4) . . ?
O1 Y3 N4 94.78(12) . . ?
O1 Y3 O3 152.86(11) . . ?
N4 Y3 O3 81.47(12) . . ?
O1 Y3 N5 110.09(13) . . ?
N4 Y3 N5 70.04(12) . . ?
O3 Y3 N5 93.98(13) . . ?
O1 Y3 C23 73.84(13) . . ?
N4 Y3 C23 145.25(14) . . ?
O3 Y3 C23 123.07(14) . . ?
N5 Y3 C23 83.00(14) . . ?
O1 Y3 N6 73.01(11) . . ?
N4 Y3 N6 167.61(12) . . ?
O3 Y3 N6 110.33(11) . . ?
N5 Y3 N6 111.59(12) . . ?
C23 Y3 N6 29.97(12) . . ?
O1 Y3 Cl2 75.70(8) . . ?
N4 Y3 Cl2 104.38(9) . . ?
O3 Y3 Cl2 79.22(8) . . ?
N5 Y3 Cl2 171.93(11) . . ?
C23 Y3 Cl2 104.30(11) . . ?
N6 Y3 Cl2 75.15(8) . . ?
O1 Y3 C24 100.53(14) . . ?
N4 Y3 C24 133.54(13) . . ?
O3 Y3 C24 101.39(15) . . ?
N5 Y3 C24 63.50(13) . . ?
C23 Y3 C24 28.67(14) . . ?
N6 Y3 C24 49.70(12) . . ?
Cl2 Y3 C24 121.83(10) . . ?
O1 Y3 C30 101.05(12) . . ?
N4 Y3 C30 163.62(13) . . ?
O3 Y3 C30 82.50(12) . . ?
N5 Y3 C30 107.80(13) . . ?
C23 Y3 C30 46.18(14) . . ?
N6 Y3 C30 28.74(11) . . ?
Cl2 Y3 C30 75.83(10) . . ?
C24 Y3 C30 47.40(14) . . ?
O1 Y3 C25 117.86(12) . . ?
N4 Y3 C25 142.09(13) . . ?
O3 Y3 C25 77.40(13) . . ?
N5 Y3 C25 80.37(14) . . ?
C23 Y3 C25 45.92(15) . . ?
N6 Y3 C25 48.05(12) . . ?
Cl2 Y3 C25 102.13(11) . . ?
C24 Y3 C25 28.47(14) . . ?
C30 Y3 C25 28.27(12) . . ?
Y2 Cl1 Y1 77.29(3) . . ?
Y2 Cl2 Y3 78.98(3) . . ?
N7 Si1 C32 114.2(2) . . ?
N7 Si1 C33 112.6(3) . . ?
C32 Si1 C33 105.5(3) . . ?
N7 Si1 C31 113.2(3) . . ?
C32 Si1 C31 104.8(3) . . ?
C33 Si1 C31 105.9(3) . . ?
N7 Si2 C34 110.6(2) . . ?
N7 Si2 C36 114.1(3) . . ?
C34 Si2 C36 104.2(3) . . ?
N7 Si2 C35 115.0(3) . . ?
C34 Si2 C35 105.6(3) . . ?
C36 Si2 C35 106.5(3) . . ?
Y1 O1 Y3 149.87(14) . . ?
Y1 O1 Y2 104.64(11) . . ?
Y3 O1 Y2 105.13(11) . . ?
C37 O2 C40 107.6(4) . . ?
C37 O2 Y1 130.4(3) . . ?
C40 O2 Y1 118.7(3) . . ?
C41 O3 C44 108.0(4) . . ?
C41 O3 Y3 118.3(3) . . ?
C44 O3 Y3 131.8(3) . . ?
C4 N1 C1 105.2(4) . . ?
C4 N1 Y1 141.2(4) . . ?
C1 N1 Y1 113.7(3) . . ?
C5 N2 C6 120.6(5) . . ?
C5 N2 Y1 114.1(3) . . ?
C6 N2 Y1 123.4(3) . . ?
C8 N3 C15 104.2(4) . . ?
C8 N3 Y2 116.3(3) . . ?
C15 N3 Y2 132.6(3) . . ?
C8 N3 Y1 75.4(2) . . ?
C15 N3 Y1 82.0(2) . . ?
Y2 N3 Y1 85.28(11) . . ?
C19 N4 C16 105.4(4) . . ?
C19 N4 Y3 139.4(3) . . ?
C16 N4 Y3 115.1(3) . . ?
C20 N5 C21 119.4(4) . . ?
C20 N5 Y3 114.2(3) . . ?
C21 N5 Y3 126.4(3) . . ?
C23 N6 C30 103.5(4) . . ?
C23 N6 Y2 116.6(3) . . ?
C30 N6 Y2 132.9(3) . . ?
C23 N6 Y3 74.3(2) . . ?
C30 N6 Y3 83.0(2) . . ?
Y2 N6 Y3 85.02(10) . . ?
Si2 N7 Si1 121.6(2) . . ?
Si2 N7 Y2 114.3(2) . . ?
Si1 N7 Y2 123.9(2) . . ?
N1 C1 C2 110.1(5) . . ?
N1 C1 C5 118.7(4) . . ?
C2 C1 C5 131.1(5) . . ?
C3 C2 C1 106.5(5) . . ?
C3 C2 H2 126.7 . . ?
C1 C2 H2 126.7 . . ?
C2 C3 C4 107.4(5) . . ?
C2 C3 H3 126.3 . . ?
C4 C3 H3 126.3 . . ?
N1 C4 C3 110.8(5) . . ?
N1 C4 H4 124.6 . . ?
C3 C4 H4 124.6 . . ?
N2 C5 C1 122.4(5) . . ?
N2 C5 H5 122(3) . . ?
C1 C5 H5 116(3) . . ?
C7 C6 N2 115.0(6) . . ?
C7 C6 H6A 108.5 . . ?
N2 C6 H6A 108.5 . . ?
C7 C6 H6B 108.5 . . ?
N2 C6 H6B 108.5 . . ?
H6A C6 H6B 107.5 . . ?
C6 C7 C9 113.3(5) . . ?
C6 C7 H7A 108.9 . . ?
C9 C7 H7A 108.9 . . ?
C6 C7 H7B 108.9 . . ?
C9 C7 H7B 108.9 . . ?
H7A C7 H7B 107.7 . . ?
C9 C8 N3 113.5(5) . . ?
C9 C8 Y1 81.8(3) . . ?
N3 C8 Y1 74.3(2) . . ?
C9 C8 H8 123.3 . . ?
N3 C8 H8 123.3 . . ?
Y1 C8 H8 112.1 . . ?
C8 C9 C10 105.3(5) . . ?
C8 C9 C7 127.7(6) . . ?
C10 C9 C7 126.7(5) . . ?
C8 C9 Y1 69.1(3) . . ?
C10 C9 Y1 79.8(3) . . ?
C7 C9 Y1 111.2(3) . . ?
C9 C10 C11 133.5(6) . . ?
C9 C10 C15 107.2(4) . . ?
C11 C10 C15 119.3(6) . . ?
C9 C10 Y1 71.8(3) . . ?
C11 C10 Y1 121.8(4) . . ?
C15 C10 Y1 71.6(3) . . ?
C12 C11 C10 118.2(6) . . ?
C12 C11 H11 120.9 . . ?
C10 C11 H11 120.9 . . ?
C11 C12 C13 122.0(6) . . ?
C11 C12 H12 119.0 . . ?
C13 C12 H12 119.0 . . ?
C14 C13 C12 121.5(6) . . ?
C14 C13 H13 119.3 . . ?
C12 C13 H13 119.3 . . ?
C13 C14 C15 118.0(6) . . ?
C13 C14 H14 121.0 . . ?
C15 C14 H14 121.0 . . ?
C14 C15 N3 129.1(5) . . ?
C14 C15 C10 121.0(5) . . ?
N3 C15 C10 109.8(5) . . ?
C14 C15 Y1 117.6(4) . . ?
N3 C15 Y1 68.5(2) . . ?
C10 C15 Y1 79.7(3) . . ?
N4 C16 C17 110.4(4) . . ?
N4 C16 C20 118.5(4) . . ?
C17 C16 C20 131.1(5) . . ?
C18 C17 C16 106.6(5) . . ?
C18 C17 H17 126.7 . . ?
C16 C17 H17 126.7 . . ?
C17 C18 C19 106.6(5) . . ?
C17 C18 H18 126.7 . . ?
C19 C18 H18 126.7 . . ?
N4 C19 C18 111.0(5) . . ?
N4 C19 H19 124.5 . . ?
C18 C19 H19 124.5 . . ?
N5 C20 C16 121.9(4) . . ?
N5 C20 H20 120(3) . . ?
C16 C20 H20 118(3) . . ?
C22 C21 N5 117.4(5) . . ?
C22 C21 H21A 107.9 . . ?
N5 C21 H21A 107.9 . . ?
C22 C21 H21B 107.9 . . ?
N5 C21 H21B 107.9 . . ?
H21A C21 H21B 107.2 . . ?
C21 C22 C24 116.9(5) . . ?
C21 C22 H22A 108.1 . . ?
C24 C22 H22A 108.1 . . ?
C21 C22 H22B 108.1 . . ?
C24 C22 H22B 108.1 . . ?
H22A C22 H22B 107.3 . . ?
C24 C23 N6 114.8(5) . . ?
C24 C23 Y3 82.0(3) . . ?
N6 C23 Y3 75.8(2) . . ?
C24 C23 H23 122.6 . . ?
N6 C23 H23 122.6 . . ?
Y3 C23 H23 110.9 . . ?
C23 C24 C25 104.5(4) . . ?
C23 C24 C22 126.3(6) . . ?
C25 C24 C22 129.1(5) . . ?
C23 C24 Y3 69.3(2) . . ?
C25 C24 Y3 81.0(3) . . ?
C22 C24 Y3 111.4(3) . . ?
C26 C25 C30 119.1(5) . . ?
C26 C25 C24 134.2(5) . . ?
C30 C25 C24 106.7(4) . . ?
C26 C25 Y3 122.7(3) . . ?
C30 C25 Y3 72.5(2) . . ?
C24 C25 Y3 70.6(3) . . ?
C27 C26 C25 118.9(6) . . ?
C27 C26 H26 120.6 . . ?
C25 C26 H26 120.6 . . ?
C26 C27 C28 121.4(6) . . ?
C26 C27 H27 119.3 . . ?
C28 C27 H27 119.3 . . ?
C29 C28 C27 122.1(6) . . ?
C29 C28 H28 119.0 . . ?
C27 C28 H28 119.0 . . ?
C28 C29 C30 117.7(5) . . ?
C28 C29 H29 121.1 . . ?
C30 C29 H29 121.1 . . ?
N6 C30 C29 128.9(4) . . ?
N6 C30 C25 110.3(4) . . ?
C29 C30 C25 120.8(5) . . ?
N6 C30 Y3 68.2(2) . . ?
C29 C30 Y3 119.4(3) . . ?
C25 C30 Y3 79.2(3) . . ?
Si1 C31 H31A 109.5 . . ?
Si1 C31 H31B 109.5 . . ?
H31A C31 H31B 109.5 . . ?
Si1 C31 H31C 109.5 . . ?
H31A C31 H31C 109.5 . . ?
H31B C31 H31C 109.5 . . ?
Si1 C32 H32A 109.5 . . ?
Si1 C32 H32B 109.5 . . ?
H32A C32 H32B 109.5 . . ?
Si1 C32 H32C 109.5 . . ?
H32A C32 H32C 109.5 . . ?
H32B C32 H32C 109.5 . . ?
Si1 C33 H33A 109.5 . . ?
Si1 C33 H33B 109.5 . . ?
H33A C33 H33B 109.5 . . ?
Si1 C33 H33C 109.5 . . ?
H33A C33 H33C 109.5 . . ?
H33B C33 H33C 109.5 . . ?
Si2 C34 H34A 109.5 . . ?
Si2 C34 H34B 109.5 . . ?
H34A C34 H34B 109.5 . . ?
Si2 C34 H34C 109.5 . . ?
H34A C34 H34C 109.5 . . ?
H34B C34 H34C 109.5 . . ?
Si2 C35 H35A 109.5 . . ?
Si2 C35 H35B 109.5 . . ?
H35A C35 H35B 109.5 . . ?
Si2 C35 H35C 109.5 . . ?
H35A C35 H35C 109.5 . . ?
H35B C35 H35C 109.5 . . ?
Si2 C36 H36A 109.5 . . ?
Si2 C36 H36B 109.5 . . ?
H36A C36 H36B 109.5 . . ?
Si2 C36 H36C 109.5 . . ?
H36A C36 H36C 109.5 . . ?
H36B C36 H36C 109.5 . . ?
C38 C37 O2 108.5(6) . . ?
C38 C37 H37A 110.0 . . ?
O2 C37 H37A 110.0 . . ?
C38 C37 H37B 110.0 . . ?
O2 C37 H37B 110.0 . . ?
H37A C37 H37B 108.4 . . ?
C37 C38 C39 106.8(7) . . ?
C37 C38 H38A 110.4 . . ?
C39 C38 H38A 110.4 . . ?
C37 C38 H38B 110.4 . . ?
C39 C38 H38B 110.4 . . ?
H38A C38 H38B 108.6 . . ?
C40 C39 C38 107.7(6) . . ?
C40 C39 H39A 110.2 . . ?
C38 C39 H39A 110.2 . . ?
C40 C39 H39B 110.2 . . ?
C38 C39 H39B 110.2 . . ?
H39A C39 H39B 108.5 . . ?
C39 C40 O2 106.6(6) . . ?
C39 C40 H40A 110.4 . . ?
O2 C40 H40A 110.4 . . ?
C39 C40 H40B 110.4 . . ?
O2 C40 H40B 110.4 . . ?
H40A C40 H40B 108.6 . . ?
O3 C41 C42 108.0(5) . . ?
O3 C41 H41A 110.1 . . ?
C42 C41 H41A 110.1 . . ?
O3 C41 H41B 110.1 . . ?
C42 C41 H41B 110.1 . . ?
H41A C41 H41B 108.4 . . ?
C43 C42 C41 108.4(5) . . ?
C43 C42 H42A 110.0 . . ?
C41 C42 H42A 110.0 . . ?
C43 C42 H42B 110.0 . . ?
C41 C42 H42B 110.0 . . ?
H42A C42 H42B 108.4 . . ?
C42 C43 C44 105.5(5) . . ?
C42 C43 H43A 110.6 . . ?
C44 C43 H43A 110.6 . . ?
C42 C43 H43B 110.6 . . ?
C44 C43 H43B 110.6 . . ?
H43A C43 H43B 108.8 . . ?
O3 C44 C43 105.7(4) . . ?
O3 C44 H44A 110.6 . . ?
C43 C44 H44A 110.6 . . ?
O3 C44 H44B 110.6 . . ?
C43 C44 H44B 110.6 . . ?
H44A C44 H44B 108.7 . . ?

loop_
_geom_torsion_atom_site_label_1
_geom_torsion_atom_site_label_2
_geom_torsion_atom_site_label_3
_geom_torsion_atom_site_label_4
_geom_torsion
_geom_torsion_site_symmetry_1
_geom_torsion_site_symmetry_2
_geom_torsion_site_symmetry_3
_geom_torsion_site_symmetry_4
_geom_torsion_publ_flag
N7 Y2 Cl1 Y1 -136.46(11) . . . . ?
O1 Y2 Cl1 Y1 30.40(7) . . . . ?
N3 Y2 Cl1 Y1 -46.34(9) . . . . ?
N6 Y2 Cl1 Y1 105.31(8) . . . . ?
Cl2 Y2 Cl1 Y1 39.38(9) . . . . ?
O1 Y1 Cl1 Y2 -33.11(8) . . . . ?
N1 Y1 Cl1 Y2 -122.97(10) . . . . ?
N2 Y1 Cl1 Y2 -101.0(10) . . . . ?
O2 Y1 Cl1 Y2 160.56(9) . . . . ?
N3 Y1 Cl1 Y2 42.86(9) . . . . ?
C8 Y1 Cl1 Y2 36.03(12) . . . . ?
C15 Y1 Cl1 Y2 73.38(11) . . . . ?
C9 Y1 Cl1 Y2 61.88(14) . . . . ?
C10 Y1 Cl1 Y2 84.04(11) . . . . ?
N7 Y2 Cl2 Y3 -162.04(10) . . . . ?
O1 Y2 Cl2 Y3 30.81(7) . . . . ?
N3 Y2 Cl2 Y3 103.03(9) . . . . ?
N6 Y2 Cl2 Y3 -46.15(8) . . . . ?
Cl1 Y2 Cl2 Y3 21.79(9) . . . . ?
O1 Y3 Cl2 Y2 -33.27(8) . . . . ?
N4 Y3 Cl2 Y2 -124.61(10) . . . . ?
O3 Y3 Cl2 Y2 157.20(9) . . . . ?
N5 Y3 Cl2 Y2 -170.0(7) . . . . ?
C23 Y3 Cl2 Y2 35.55(12) . . . . ?
N6 Y3 Cl2 Y2 42.59(8) . . . . ?
C24 Y3 Cl2 Y2 60.39(15) . . . . ?
C30 Y3 Cl2 Y2 72.29(10) . . . . ?
C25 Y3 Cl2 Y2 82.74(11) . . . . ?
N1 Y1 O1 Y3 -26.2(3) . . . . ?
N2 Y1 O1 Y3 44.5(3) . . . . ?
O2 Y1 O1 Y3 -95.2(4) . . . . ?
N3 Y1 O1 Y3 152.3(3) . . . . ?
C8 Y1 O1 Y3 120.7(3) . . . . ?
Cl1 Y1 O1 Y3 -129.4(3) . . . . ?
C15 Y1 O1 Y3 158.9(3) . . . . ?
C9 Y1 O1 Y3 110.0(3) . . . . ?
C10 Y1 O1 Y3 133.7(3) . . . . ?
N1 Y1 O1 Y2 144.75(13) . . . . ?
N2 Y1 O1 Y2 -144.55(13) . . . . ?
O2 Y1 O1 Y2 75.8(3) . . . . ?
N3 Y1 O1 Y2 -36.76(12) . . . . ?
C8 Y1 O1 Y2 -68.35(14) . . . . ?
Cl1 Y1 O1 Y2 41.54(8) . . . . ?
C15 Y1 O1 Y2 -30.18(16) . . . . ?
C9 Y1 O1 Y2 -79.04(14) . . . . ?
C10 Y1 O1 Y2 -55.32(17) . . . . ?
N4 Y3 O1 Y1 -43.9(3) . . . . ?
O3 Y3 O1 Y1 -124.5(3) . . . . ?
N5 Y3 O1 Y1 26.6(3) . . . . ?
C23 Y3 O1 Y1 102.7(3) . . . . ?
N6 Y3 O1 Y1 134.0(3) . . . . ?
Cl2 Y3 O1 Y1 -147.5(3) . . . . ?
C24 Y3 O1 Y1 92.1(3) . . . . ?
C30 Y3 O1 Y1 140.4(3) . . . . ?
C25 Y3 O1 Y1 116.2(3) . . . . ?
N4 Y3 O1 Y2 145.20(12) . . . . ?
O3 Y3 O1 Y2 64.6(3) . . . . ?
N5 Y3 O1 Y2 -144.31(12) . . . . ?
C23 Y3 O1 Y2 -68.27(13) . . . . ?
N6 Y3 O1 Y2 -36.97(10) . . . . ?
Cl2 Y3 O1 Y2 41.56(8) . . . . ?
C24 Y3 O1 Y2 -78.85(14) . . . . ?
C30 Y3 O1 Y2 -30.55(14) . . . . ?
C25 Y3 O1 Y2 -54.78(17) . . . . ?
N7 Y2 O1 Y1 86.1(5) . . . . ?
N3 Y2 O1 Y1 40.03(13) . . . . ?
N6 Y2 O1 Y1 -135.03(13) . . . . ?
Cl2 Y2 O1 Y1 141.55(11) . . . . ?
Cl1 Y2 O1 Y1 -43.02(9) . . . . ?
N7 Y2 O1 Y3 -98.6(4) . . . . ?
N3 Y2 O1 Y3 -144.66(14) . . . . ?
N6 Y2 O1 Y3 40.29(11) . . . . ?
Cl2 Y2 O1 Y3 -43.14(8) . . . . ?
Cl1 Y2 O1 Y3 132.30(11) . . . . ?
O1 Y1 O2 C37 -23.7(7) . . . . ?
N1 Y1 O2 C37 -95.6(5) . . . . ?
N2 Y1 O2 C37 -163.6(5) . . . . ?
N3 Y1 O2 C37 80.0(5) . . . . ?
C8 Y1 O2 C37 112.7(5) . . . . ?
Cl1 Y1 O2 C37 9.9(5) . . . . ?
C15 Y1 O2 C37 85.8(5) . . . . ?
C9 Y1 O2 C37 131.1(5) . . . . ?
C10 Y1 O2 C37 113.9(5) . . . . ?
O1 Y1 O2 C40 133.1(4) . . . . ?
N1 Y1 O2 C40 61.3(4) . . . . ?
N2 Y1 O2 C40 -6.8(4) . . . . ?
N3 Y1 O2 C40 -123.2(4) . . . . ?
C8 Y1 O2 C40 -90.4(5) . . . . ?
Cl1 Y1 O2 C40 166.7(4) . . . . ?
C15 Y1 O2 C40 -117.4(4) . . . . ?
C9 Y1 O2 C40 -72.1(4) . . . . ?
C10 Y1 O2 C40 -89.2(4) . . . . ?
O1 Y3 O3 C41 140.8(4) . . . . ?
N4 Y3 O3 C41 57.0(4) . . . . ?
N5 Y3 O3 C41 -12.1(4) . . . . ?
C23 Y3 O3 C41 -96.3(4) . . . . ?
N6 Y3 O3 C41 -126.9(4) . . . . ?
Cl2 Y3 O3 C41 163.5(4) . . . . ?
C24 Y3 O3 C41 -75.9(4) . . . . ?
C30 Y3 O3 C41 -119.6(4) . . . . ?
C25 Y3 O3 C41 -91.3(4) . . . . ?
O1 Y3 O3 C44 -21.9(6) . . . . ?
N4 Y3 O3 C44 -105.8(4) . . . . ?
N5 Y3 O3 C44 -174.9(4) . . . . ?
C23 Y3 O3 C44 100.9(4) . . . . ?
N6 Y3 O3 C44 70.3(4) . . . . ?
Cl2 Y3 O3 C44 0.7(4) . . . . ?
C24 Y3 O3 C44 121.4(4) . . . . ?
C30 Y3 O3 C44 77.7(4) . . . . ?
C25 Y3 O3 C44 105.9(4) . . . . ?
O1 Y1 N1 C4 -83.9(6) . . . . ?
N2 Y1 N1 C4 176.1(6) . . . . ?
O2 Y1 N1 C4 72.7(6) . . . . ?
N3 Y1 N1 C4 -90.0(8) . . . . ?
C8 Y1 N1 C4 -149.5(5) . . . . ?
Cl1 Y1 N1 C4 -6.5(6) . . . . ?
C15 Y1 N1 C4 77.7(8) . . . . ?
C9 Y1 N1 C4 167.8(5) . . . . ?
C10 Y1 N1 C4 126.0(6) . . . . ?
O1 Y1 N1 C1 95.4(3) . . . . ?
N2 Y1 N1 C1 -4.6(3) . . . . ?
O2 Y1 N1 C1 -107.9(3) . . . . ?
N3 Y1 N1 C1 89.3(6) . . . . ?
C8 Y1 N1 C1 29.8(4) . . . . ?
Cl1 Y1 N1 C1 172.9(3) . . . . ?
C15 Y1 N1 C1 -103.0(6) . . . . ?
C9 Y1 N1 C1 -12.9(4) . . . . ?
C10 Y1 N1 C1 -54.6(4) . . . . ?
O1 Y1 N2 C5 -82.6(4) . . . . ?
N1 Y1 N2 C5 6.7(4) . . . . ?
O2 Y1 N2 C5 81.6(4) . . . . ?
N3 Y1 N2 C5 -158.6(4) . . . . ?
C8 Y1 N2 C5 -154.0(4) . . . . ?
Cl1 Y1 N2 C5 -16.0(13) . . . . ?
C15 Y1 N2 C5 169.9(4) . . . . ?
C9 Y1 N2 C5 -179.9(5) . . . . ?
C10 Y1 N2 C5 159.1(4) . . . . ?
O1 Y1 N2 C6 81.6(5) . . . . ?
N1 Y1 N2 C6 171.0(5) . . . . ?
O2 Y1 N2 C6 -114.2(5) . . . . ?
N3 Y1 N2 C6 5.6(5) . . . . ?
C8 Y1 N2 C6 10.3(5) . . . . ?
Cl1 Y1 N2 C6 148.3(8) . . . . ?
C15 Y1 N2 C6 -25.9(5) . . . . ?
C9 Y1 N2 C6 -15.6(5) . . . . ?
C10 Y1 N2 C6 -36.7(5) . . . . ?
N7 Y2 N3 C8 -127.2(3) . . . . ?
O1 Y2 N3 C8 41.6(3) . . . . ?
N6 Y2 N3 C8 51.0(4) . . . . ?
Cl2 Y2 N3 C8 -30.7(3) . . . . ?
Cl1 Y2 N3 C8 119.6(3) . . . . ?
N7 Y2 N3 C15 87.0(4) . . . . ?
O1 Y2 N3 C15 -104.1(4) . . . . ?
N6 Y2 N3 C15 -94.7(4) . . . . ?
Cl2 Y2 N3 C15 -176.5(4) . . . . ?
Cl1 Y2 N3 C15 -26.1(4) . . . . ?
N7 Y2 N3 Y1 161.61(13) . . . . ?
O1 Y2 N3 Y1 -29.56(9) . . . . ?
N6 Y2 N3 Y1 -20.2(3) . . . . ?
Cl2 Y2 N3 Y1 -101.90(9) . . . . ?
Cl1 Y2 N3 Y1 48.43(8) . . . . ?
O1 Y1 N3 C8 -86.2(3) . . . . ?
N1 Y1 N3 C8 -79.8(6) . . . . ?
N2 Y1 N3 C8 9.1(3) . . . . ?
O2 Y1 N3 C8 118.8(3) . . . . ?
Cl1 Y1 N3 C8 -166.8(3) . . . . ?
C15 Y1 N3 C8 107.0(4) . . . . ?
C9 Y1 N3 C8 34.3(3) . . . . ?
C10 Y1 N3 C8 72.1(3) . . . . ?
O1 Y1 N3 C15 166.9(3) . . . . ?
N1 Y1 N3 C15 173.2(5) . . . . ?
N2 Y1 N3 C15 -97.9(3) . . . . ?
O2 Y1 N3 C15 11.8(3) . . . . ?
C8 Y1 N3 C15 -107.0(4) . . . . ?
Cl1 Y1 N3 C15 86.2(3) . . . . ?
C9 Y1 N3 C15 -72.7(3) . . . . ?
C10 Y1 N3 C15 -34.9(3) . . . . ?
O1 Y1 N3 Y2 32.62(10) . . . . ?
N1 Y1 N3 Y2 39.0(6) . . . . ?
N2 Y1 N3 Y2 127.90(14) . . . . ?
O2 Y1 N3 Y2 -122.42(12) . . . . ?
C8 Y1 N3 Y2 118.8(3) . . . . ?
Cl1 Y1 N3 Y2 -48.05(8) . . . . ?
C15 Y1 N3 Y2 -134.2(3) . . . . ?
C9 Y1 N3 Y2 153.1(2) . . . . ?
C10 Y1 N3 Y2 -169.2(2) . . . . ?
O1 Y3 N4 C19 -76.9(6) . . . . ?
O3 Y3 N4 C19 76.0(6) . . . . ?
N5 Y3 N4 C19 173.4(6) . . . . ?
C23 Y3 N4 C19 -145.2(5) . . . . ?
N6 Y3 N4 C19 -86.7(8) . . . . ?
Cl2 Y3 N4 C19 -0.5(6) . . . . ?
C24 Y3 N4 C19 173.7(5) . . . . ?
C30 Y3 N4 C19 88.1(7) . . . . ?
C25 Y3 N4 C19 132.5(5) . . . . ?
O1 Y3 N4 C16 107.0(3) . . . . ?
O3 Y3 N4 C16 -100.1(3) . . . . ?
N5 Y3 N4 C16 -2.7(3) . . . . ?
C23 Y3 N4 C16 38.7(5) . . . . ?
N6 Y3 N4 C16 97.2(6) . . . . ?
Cl2 Y3 N4 C16 -176.6(3) . . . . ?
C24 Y3 N4 C16 -2.4(4) . . . . ?
C30 Y3 N4 C16 -87.9(5) . . . . ?
C25 Y3 N4 C16 -43.5(4) . . . . ?
O1 Y3 N5 C20 -83.2(4) . . . . ?
N4 Y3 N5 C20 4.6(4) . . . . ?
O3 Y3 N5 C20 84.0(4) . . . . ?
C23 Y3 N5 C20 -153.2(4) . . . . ?
N6 Y3 N5 C20 -162.3(4) . . . . ?
Cl2 Y3 N5 C20 51.8(10) . . . . ?
C24 Y3 N5 C20 -175.3(4) . . . . ?
C30 Y3 N5 C20 167.4(4) . . . . ?
C25 Y3 N5 C20 160.5(4) . . . . ?
O1 Y3 N5 C21 97.6(5) . . . . ?
N4 Y3 N5 C21 -174.6(6) . . . . ?
O3 Y3 N5 C21 -95.2(5) . . . . ?
C23 Y3 N5 C21 27.7(5) . . . . ?
N6 Y3 N5 C21 18.5(6) . . . . ?
Cl2 Y3 N5 C21 -127.4(7) . . . . ?
C24 Y3 N5 C21 5.6(5) . . . . ?
C30 Y3 N5 C21 -11.8(6) . . . . ?
C25 Y3 N5 C21 -18.7(5) . . . . ?
N7 Y2 N6 C23 -151.3(3) . . . . ?
O1 Y2 N6 C23 40.0(3) . . . . ?
N3 Y2 N6 C23 30.7(4) . . . . ?
Cl2 Y2 N6 C23 117.0(3) . . . . ?
Cl1 Y2 N6 C23 -35.8(3) . . . . ?
N7 Y2 N6 C30 63.3(4) . . . . ?
O1 Y2 N6 C30 -105.3(4) . . . . ?
N3 Y2 N6 C30 -114.7(4) . . . . ?
Cl2 Y2 N6 C30 -28.3(4) . . . . ?
Cl1 Y2 N6 C30 178.9(4) . . . . ?
N7 Y2 N6 Y3 139.02(12) . . . . ?
O1 Y2 N6 Y3 -29.61(9) . . . . ?
N3 Y2 N6 Y3 -39.0(3) . . . . ?
Cl2 Y2 N6 Y3 47.35(7) . . . . ?
Cl1 Y2 N6 Y3 -105.45(8) . . . . ?
O1 Y3 N6 C23 -87.0(3) . . . . ?
N4 Y3 N6 C23 -76.8(6) . . . . ?
O3 Y3 N6 C23 121.5(3) . . . . ?
N5 Y3 N6 C23 18.4(3) . . . . ?
Cl2 Y3 N6 C23 -166.2(3) . . . . ?
C24 Y3 N6 C23 33.7(3) . . . . ?
C30 Y3 N6 C23 106.2(4) . . . . ?
C25 Y3 N6 C23 71.7(3) . . . . ?
O1 Y3 N6 C30 166.8(3) . . . . ?
N4 Y3 N6 C30 177.0(5) . . . . ?
O3 Y3 N6 C30 15.3(3) . . . . ?
N5 Y3 N6 C30 -87.8(3) . . . . ?
C23 Y3 N6 C30 -106.2(4) . . . . ?
Cl2 Y3 N6 C30 87.5(2) . . . . ?
C24 Y3 N6 C30 -72.6(3) . . . . ?
C25 Y3 N6 C30 -34.5(3) . . . . ?
O1 Y3 N6 Y2 32.42(9) . . . . ?
N4 Y3 N6 Y2 42.6(6) . . . . ?
O3 Y3 N6 Y2 -119.12(11) . . . . ?
N5 Y3 N6 Y2 137.81(13) . . . . ?
C23 Y3 N6 Y2 119.4(3) . . . . ?
Cl2 Y3 N6 Y2 -46.85(7) . . . . ?
C24 Y3 N6 Y2 153.1(2) . . . . ?
C30 Y3 N6 Y2 -134.4(3) . . . . ?
C25 Y3 N6 Y2 -168.9(2) . . . . ?
C34 Si2 N7 Si1 -164.4(3) . . . . ?
C36 Si2 N7 Si1 78.5(4) . . . . ?
C35 Si2 N7 Si1 -45.0(4) . . . . ?
C34 Si2 N7 Y2 11.4(3) . . . . ?
C36 Si2 N7 Y2 -105.7(3) . . . . ?
C35 Si2 N7 Y2 130.8(3) . . . . ?
C32 Si1 N7 Si2 -154.2(3) . . . . ?
C33 Si1 N7 Si2 85.5(4) . . . . ?
C31 Si1 N7 Si2 -34.5(4) . . . . ?
C32 Si1 N7 Y2 30.4(4) . . . . ?
C33 Si1 N7 Y2 -89.9(3) . . . . ?
C31 Si1 N7 Y2 150.1(3) . . . . ?
O1 Y2 N7 Si2 177.5(3) . . . . ?
N3 Y2 N7 Si2 -138.3(2) . . . . ?
N6 Y2 N7 Si2 42.7(2) . . . . ?
Cl2 Y2 N7 Si2 124.41(19) . . . . ?
Cl1 Y2 N7 Si2 -57.6(2) . . . . ?
O1 Y2 N7 Si1 -6.8(6) . . . . ?
N3 Y2 N7 Si1 37.4(3) . . . . ?
N6 Y2 N7 Si1 -141.6(2) . . . . ?
Cl2 Y2 N7 Si1 -59.9(2) . . . . ?
Cl1 Y2 N7 Si1 118.1(2) . . . . ?
C4 N1 C1 C2 0.2(6) . . . . ?
Y1 N1 C1 C2 -179.4(3) . . . . ?
C4 N1 C1 C5 -178.0(5) . . . . ?
Y1 N1 C1 C5 2.4(6) . . . . ?
N1 C1 C2 C3 -0.3(7) . . . . ?
C5 C1 C2 C3 177.5(6) . . . . ?
C1 C2 C3 C4 0.4(7) . . . . ?
C1 N1 C4 C3 0.1(6) . . . . ?
Y1 N1 C4 C3 179.5(4) . . . . ?
C2 C3 C4 N1 -0.3(8) . . . . ?
C6 N2 C5 C1 -173.2(6) . . . . ?
Y1 N2 C5 C1 -8.4(7) . . . . ?
N1 C1 C5 N2 4.3(8) . . . . ?
C2 C1 C5 N2 -173.4(6) . . . . ?
C5 N2 C6 C7 -158.7(6) . . . . ?
Y1 N2 C6 C7 38.0(8) . . . . ?
N2 C6 C7 C9 -40.8(9) . . . . ?
C15 N3 C8 C9 4.1(5) . . . . ?
Y2 N3 C8 C9 -150.6(3) . . . . ?
Y1 N3 C8 C9 -73.5(3) . . . . ?
C15 N3 C8 Y1 77.6(3) . . . . ?
Y2 N3 C8 Y1 -77.1(2) . . . . ?
O1 Y1 C8 C9 -158.0(3) . . . . ?
N1 Y1 C8 C9 -86.8(4) . . . . ?
N2 Y1 C8 C9 -54.0(3) . . . . ?
O2 Y1 C8 C9 39.4(4) . . . . ?
N3 Y1 C8 C9 117.3(4) . . . . ?
Cl1 Y1 C8 C9 130.5(3) . . . . ?
C15 Y1 C8 C9 77.4(3) . . . . ?
C10 Y1 C8 C9 37.8(3) . . . . ?
O1 Y1 C8 N3 84.7(3) . . . . ?
N1 Y1 C8 N3 156.0(2) . . . . ?
N2 Y1 C8 N3 -171.3(3) . . . . ?
O2 Y1 C8 N3 -77.9(3) . . . . ?
Cl1 Y1 C8 N3 13.2(3) . . . . ?
C15 Y1 C8 N3 -39.9(2) . . . . ?
C9 Y1 C8 N3 -117.3(4) . . . . ?
C10 Y1 C8 N3 -79.5(3) . . . . ?
N3 C8 C9 C10 -3.6(5) . . . . ?
Y1 C8 C9 C10 -72.5(3) . . . . ?
N3 C8 C9 C7 170.1(5) . . . . ?
Y1 C8 C9 C7 101.2(5) . . . . ?
N3 C8 C9 Y1 68.9(3) . . . . ?
C6 C7 C9 C8 -53.2(8) . . . . ?
C6 C7 C9 C10 119.2(7) . . . . ?
C6 C7 C9 Y1 26.3(7) . . . . ?
O1 Y1 C9 C8 21.5(3) . . . . ?
N1 Y1 C9 C8 126.5(3) . . . . ?
N2 Y1 C9 C8 117.8(4) . . . . ?
O2 Y1 C9 C8 -148.1(3) . . . . ?
N3 Y1 C9 C8 -35.8(3) . . . . ?
Cl1 Y1 C9 C8 -60.1(4) . . . . ?
C15 Y1 C9 C8 -75.2(3) . . . . ?
C10 Y1 C9 C8 -110.8(5) . . . . ?
O1 Y1 C9 C10 132.3(3) . . . . ?
N1 Y1 C9 C10 -122.7(3) . . . . ?
N2 Y1 C9 C10 -131.4(3) . . . . ?
O2 Y1 C9 C10 -37.3(3) . . . . ?
N3 Y1 C9 C10 75.0(3) . . . . ?
C8 Y1 C9 C10 110.8(5) . . . . ?
Cl1 Y1 C9 C10 50.7(3) . . . . ?
C15 Y1 C9 C10 35.6(3) . . . . ?
O1 Y1 C9 C7 -102.2(4) . . . . ?
N1 Y1 C9 C7 2.9(5) . . . . ?
N2 Y1 C9 C7 -5.8(4) . . . . ?
O2 Y1 C9 C7 88.2(4) . . . . ?
N3 Y1 C9 C7 -159.4(5) . . . . ?
C8 Y1 C9 C7 -123.7(6) . . . . ?
Cl1 Y1 C9 C7 176.3(4) . . . . ?
C15 Y1 C9 C7 161.2(5) . . . . ?
C10 Y1 C9 C7 125.5(6) . . . . ?
C8 C9 C10 C11 -178.3(6) . . . . ?
C7 C9 C10 C11 8.0(9) . . . . ?
Y1 C9 C10 C11 116.9(6) . . . . ?
C8 C9 C10 C15 1.5(5) . . . . ?
C7 C9 C10 C15 -172.2(5) . . . . ?
Y1 C9 C10 C15 -63.3(3) . . . . ?
C8 C9 C10 Y1 64.9(3) . . . . ?
C7 C9 C10 Y1 -108.9(5) . . . . ?
O1 Y1 C10 C9 -56.0(3) . . . . ?
N1 Y1 C10 C9 89.4(4) . . . . ?
N2 Y1 C10 C9 42.8(3) . . . . ?
O2 Y1 C10 C9 142.7(3) . . . . ?
N3 Y1 C10 C9 -79.9(3) . . . . ?
C8 Y1 C10 C9 -38.7(3) . . . . ?
Cl1 Y1 C10 C9 -137.8(3) . . . . ?
C15 Y1 C10 C9 -115.9(5) . . . . ?
O1 Y1 C10 C11 173.6(5) . . . . ?
N1 Y1 C10 C11 -41.1(6) . . . . ?
N2 Y1 C10 C11 -87.7(5) . . . . ?
O2 Y1 C10 C11 12.2(5) . . . . ?
N3 Y1 C10 C11 149.6(6) . . . . ?
C8 Y1 C10 C11 -169.1(6) . . . . ?
Cl1 Y1 C10 C11 91.7(5) . . . . ?
C15 Y1 C10 C11 113.7(7) . . . . ?
C9 Y1 C10 C11 -130.5(6) . . . . ?
O1 Y1 C10 C15 59.9(4) . . . . ?
N1 Y1 C10 C15 -154.8(3) . . . . ?
N2 Y1 C10 C15 158.7(3) . . . . ?
O2 Y1 C10 C15 -101.4(3) . . . . ?
N3 Y1 C10 C15 36.0(3) . . . . ?
C8 Y1 C10 C15 77.2(3) . . . . ?
Cl1 Y1 C10 C15 -21.9(3) . . . . ?
C9 Y1 C10 C15 115.9(5) . . . . ?
C9 C10 C11 C12 -179.5(6) . . . . ?
C15 C10 C11 C12 0.7(8) . . . . ?
Y1 C10 C11 C12 -84.9(6) . . . . ?
C10 C11 C12 C13 0.2(10) . . . . ?
C11 C12 C13 C14 -1.3(11) . . . . ?
C12 C13 C14 C15 1.4(10) . . . . ?
C13 C14 C15 N3 177.9(5) . . . . ?
C13 C14 C15 C10 -0.4(8) . . . . ?
C13 C14 C15 Y1 94.1(6) . . . . ?
C8 N3 C15 C14 178.6(5) . . . . ?
Y2 N3 C15 C14 -32.8(7) . . . . ?
Y1 N3 C15 C14 -108.7(6) . . . . ?
C8 N3 C15 C10 -2.9(5) . . . . ?
Y2 N3 C15 C10 145.7(4) . . . . ?
Y1 N3 C15 C10 69.7(4) . . . . ?
C8 N3 C15 Y1 -72.7(3) . . . . ?
Y2 N3 C15 Y1 76.0(3) . . . . ?
C9 C10 C15 C14 179.5(5) . . . . ?
C11 C10 C15 C14 -0.6(8) . . . . ?
Y1 C10 C15 C14 116.1(5) . . . . ?
C9 C10 C15 N3 0.9(5) . . . . ?
C11 C10 C15 N3 -179.3(4) . . . . ?
Y1 C10 C15 N3 -62.5(3) . . . . ?
C9 C10 C15 Y1 63.4(3) . . . . ?
C11 C10 C15 Y1 -116.7(5) . . . . ?
O1 Y1 C15 C14 111.2(4) . . . . ?
N1 Y1 C15 C14 -50.0(8) . . . . ?
N2 Y1 C15 C14 -142.6(4) . . . . ?
O2 Y1 C15 C14 -45.2(4) . . . . ?
N3 Y1 C15 C14 124.0(5) . . . . ?
C8 Y1 C15 C14 165.1(5) . . . . ?
Cl1 Y1 C15 C14 38.1(4) . . . . ?
C9 Y1 C15 C14 -155.1(5) . . . . ?
C10 Y1 C15 C14 -119.7(6) . . . . ?
O1 Y1 C15 N3 -12.9(3) . . . . ?
N1 Y1 C15 N3 -174.1(5) . . . . ?
N2 Y1 C15 N3 93.4(3) . . . . ?
O2 Y1 C15 N3 -169.2(3) . . . . ?
C8 Y1 C15 N3 41.1(3) . . . . ?
Cl1 Y1 C15 N3 -85.9(3) . . . . ?
C9 Y1 C15 N3 80.9(3) . . . . ?
C10 Y1 C15 N3 116.2(5) . . . . ?
O1 Y1 C15 C10 -129.1(3) . . . . ?
N1 Y1 C15 C10 69.7(7) . . . . ?
N2 Y1 C15 C10 -22.8(4) . . . . ?
O2 Y1 C15 C10 74.6(3) . . . . ?
N3 Y1 C15 C10 -116.2(5) . . . . ?
C8 Y1 C15 C10 -75.2(3) . . . . ?
Cl1 Y1 C15 C10 157.8(3) . . . . ?
C9 Y1 C15 C10 -35.4(3) . . . . ?
C19 N4 C16 C17 0.4(6) . . . . ?
Y3 N4 C16 C17 177.7(4) . . . . ?
C19 N4 C16 C20 -176.6(5) . . . . ?
Y3 N4 C16 C20 0.8(6) . . . . ?
N4 C16 C17 C18 -0.8(7) . . . . ?
C20 C16 C17 C18 175.7(6) . . . . ?
C16 C17 C18 C19 0.9(8) . . . . ?
C16 N4 C19 C18 0.2(7) . . . . ?
Y3 N4 C19 C18 -176.1(4) . . . . ?
C17 C18 C19 N4 -0.7(8) . . . . ?
C21 N5 C20 C16 173.1(6) . . . . ?
Y3 N5 C20 C16 -6.2(7) . . . . ?
N4 C16 C20 N5 3.9(8) . . . . ?
C17 C16 C20 N5 -172.3(6) . . . . ?
C20 N5 C21 C22 161.9(6) . . . . ?
Y3 N5 C21 C22 -18.9(10) . . . . ?
N5 C21 C22 C24 24.7(10) . . . . ?
C30 N6 C23 C24 4.6(5) . . . . ?
Y2 N6 C23 C24 -150.0(3) . . . . ?
Y3 N6 C23 C24 -74.0(4) . . . . ?
C30 N6 C23 Y3 78.6(3) . . . . ?
Y2 N6 C23 Y3 -76.0(2) . . . . ?
O1 Y3 C23 C24 -157.9(3) . . . . ?
N4 Y3 C23 C24 -83.3(4) . . . . ?
O3 Y3 C23 C24 45.6(4) . . . . ?
N5 Y3 C23 C24 -44.6(3) . . . . ?
N6 Y3 C23 C24 118.2(4) . . . . ?
Cl2 Y3 C23 C24 131.9(3) . . . . ?
C30 Y3 C23 C24 78.4(3) . . . . ?
C25 Y3 C23 C24 38.8(3) . . . . ?
O1 Y3 C23 N6 83.9(3) . . . . ?
N4 Y3 C23 N6 158.5(2) . . . . ?
O3 Y3 C23 N6 -72.6(3) . . . . ?
N5 Y3 C23 N6 -162.8(3) . . . . ?
Cl2 Y3 C23 N6 13.7(3) . . . . ?
C24 Y3 C23 N6 -118.2(4) . . . . ?
C30 Y3 C23 N6 -39.8(2) . . . . ?
C25 Y3 C23 N6 -79.4(3) . . . . ?
N6 C23 C24 C25 -4.1(5) . . . . ?
Y3 C23 C24 C25 -74.3(3) . . . . ?
N6 C23 C24 C22 172.1(4) . . . . ?
Y3 C23 C24 C22 101.9(5) . . . . ?
N6 C23 C24 Y3 70.2(3) . . . . ?
C21 C22 C24 C23 -98.5(8) . . . . ?
C21 C22 C24 C25 76.8(8) . . . . ?
C21 C22 C24 Y3 -19.0(8) . . . . ?
O1 Y3 C24 C23 21.6(3) . . . . ?
N4 Y3 C24 C23 128.7(3) . . . . ?
O3 Y3 C24 C23 -142.3(3) . . . . ?
N5 Y3 C24 C23 128.9(4) . . . . ?
N6 Y3 C24 C23 -35.2(3) . . . . ?
Cl2 Y3 C24 C23 -58.0(3) . . . . ?
C30 Y3 C24 C23 -73.8(3) . . . . ?
C25 Y3 C24 C23 -109.3(4) . . . . ?
O1 Y3 C24 C25 130.9(3) . . . . ?
N4 Y3 C24 C25 -122.1(3) . . . . ?
O3 Y3 C24 C25 -33.0(3) . . . . ?
N5 Y3 C24 C25 -121.8(3) . . . . ?
C23 Y3 C24 C25 109.3(4) . . . . ?
N6 Y3 C24 C25 74.0(3) . . . . ?
Cl2 Y3 C24 C25 51.3(3) . . . . ?
C30 Y3 C24 C25 35.5(3) . . . . ?
O1 Y3 C24 C22 -100.6(4) . . . . ?
N4 Y3 C24 C22 6.5(5) . . . . ?
O3 Y3 C24 C22 95.5(4) . . . . ?
N5 Y3 C24 C22 6.7(4) . . . . ?
C23 Y3 C24 C22 -122.1(6) . . . . ?
N6 Y3 C24 C22 -157.4(5) . . . . ?
Cl2 Y3 C24 C22 179.8(4) . . . . ?
C30 Y3 C24 C22 164.0(5) . . . . ?
C25 Y3 C24 C22 128.6(6) . . . . ?
C23 C24 C25 C26 -177.1(5) . . . . ?
C22 C24 C25 C26 6.8(9) . . . . ?
Y3 C24 C25 C26 117.1(5) . . . . ?
C23 C24 C25 C30 1.8(5) . . . . ?
C22 C24 C25 C30 -174.3(4) . . . . ?
Y3 C24 C25 C30 -64.0(3) . . . . ?
C23 C24 C25 Y3 65.8(3) . . . . ?
C22 C24 C25 Y3 -110.3(5) . . . . ?
O1 Y3 C25 C26 172.0(4) . . . . ?
N4 Y3 C25 C26 -41.6(6) . . . . ?
O3 Y3 C25 C26 16.1(5) . . . . ?
N5 Y3 C25 C26 -80.2(5) . . . . ?
C23 Y3 C25 C26 -169.8(6) . . . . ?
N6 Y3 C25 C26 148.9(5) . . . . ?
Cl2 Y3 C25 C26 92.0(5) . . . . ?
C24 Y3 C25 C26 -130.7(6) . . . . ?
C30 Y3 C25 C26 113.8(6) . . . . ?
O1 Y3 C25 C30 58.3(3) . . . . ?
N4 Y3 C25 C30 -155.4(3) . . . . ?
O3 Y3 C25 C30 -97.7(3) . . . . ?
N5 Y3 C25 C30 166.0(3) . . . . ?
C23 Y3 C25 C30 76.5(3) . . . . ?
N6 Y3 C25 C30 35.1(2) . . . . ?
Cl2 Y3 C25 C30 -21.8(3) . . . . ?
C24 Y3 C25 C30 115.5(4) . . . . ?
O1 Y3 C25 C24 -57.2(3) . . . . ?
N4 Y3 C25 C24 89.1(3) . . . . ?
O3 Y3 C25 C24 146.8(3) . . . . ?
N5 Y3 C25 C24 50.5(3) . . . . ?
C23 Y3 C25 C24 -39.1(3) . . . . ?
N6 Y3 C25 C24 -80.4(3) . . . . ?
Cl2 Y3 C25 C24 -137.3(3) . . . . ?
C30 Y3 C25 C24 -115.5(4) . . . . ?
C30 C25 C26 C27 -0.2(7) . . . . ?
C24 C25 C26 C27 178.6(5) . . . . ?
Y3 C25 C26 C27 -87.2(6) . . . . ?
C25 C26 C27 C28 0.5(9) . . . . ?
C26 C27 C28 C29 -0.3(9) . . . . ?
C27 C28 C29 C30 -0.2(8) . . . . ?
C23 N6 C30 C29 177.1(4) . . . . ?
Y2 N6 C30 C29 -34.4(6) . . . . ?
Y3 N6 C30 C29 -111.0(5) . . . . ?
C23 N6 C30 C25 -3.2(4) . . . . ?
Y2 N6 C30 C25 145.3(3) . . . . ?
Y3 N6 C30 C25 68.8(3) . . . . ?
C23 N6 C30 Y3 -71.9(3) . . . . ?
Y2 N6 C30 Y3 76.5(3) . . . . ?
C28 C29 C30 N6 -179.9(4) . . . . ?
C28 C29 C30 C25 0.4(7) . . . . ?
C28 C29 C30 Y3 95.4(5) . . . . ?
C26 C25 C30 N6 180.0(4) . . . . ?
C24 C25 C30 N6 0.9(5) . . . . ?
Y3 C25 C30 N6 -61.8(3) . . . . ?
C26 C25 C30 C29 -0.3(7) . . . . ?
C24 C25 C30 C29 -179.3(4) . . . . ?
Y3 C25 C30 C29 118.0(4) . . . . ?
C26 C25 C30 Y3 -118.2(4) . . . . ?
C24 C25 C30 Y3 62.7(3) . . . . ?
O1 Y3 C30 N6 -12.9(3) . . . . ?
N4 Y3 C30 N6 -177.7(4) . . . . ?
O3 Y3 C30 N6 -165.6(3) . . . . ?
N5 Y3 C30 N6 102.6(3) . . . . ?
C23 Y3 C30 N6 41.7(2) . . . . ?
Cl2 Y3 C30 N6 -84.9(2) . . . . ?
C24 Y3 C30 N6 81.4(3) . . . . ?
C25 Y3 C30 N6 117.1(4) . . . . ?
O1 Y3 C30 C29 110.6(4) . . . . ?
N4 Y3 C30 C29 -54.3(7) . . . . ?
O3 Y3 C30 C29 -42.2(4) . . . . ?
N5 Y3 C30 C29 -133.9(4) . . . . ?
C23 Y3 C30 C29 165.1(5) . . . . ?
N6 Y3 C30 C29 123.4(5) . . . . ?
Cl2 Y3 C30 C29 38.6(4) . . . . ?
C24 Y3 C30 C29 -155.2(5) . . . . ?
C25 Y3 C30 C29 -119.5(5) . . . . ?
O1 Y3 C30 C25 -130.0(3) . . . . ?
N4 Y3 C30 C25 65.2(6) . . . . ?
O3 Y3 C30 C25 77.3(3) . . . . ?
N5 Y3 C30 C25 -14.5(3) . . . . ?
C23 Y3 C30 C25 -75.4(3) . . . . ?
N6 Y3 C30 C25 -117.1(4) . . . . ?
Cl2 Y3 C30 C25 158.0(3) . . . . ?
C24 Y3 C30 C25 -35.8(3) . . . . ?
C40 O2 C37 C38 -4.7(9) . . . . ?
Y1 O2 C37 C38 154.1(5) . . . . ?
O2 C37 C38 C39 -6.0(11) . . . . ?
C37 C38 C39 C40 14.6(12) . . . . ?
C38 C39 C40 O2 -17.4(10) . . . . ?
C37 O2 C40 C39 13.6(8) . . . . ?
Y1 O2 C40 C39 -148.0(6) . . . . ?
C44 O3 C41 C42 -8.1(7) . . . . ?
Y3 O3 C41 C42 -174.7(5) . . . . ?
O3 C41 C42 C43 -5.7(9) . . . . ?
C41 C42 C43 C44 16.6(9) . . . . ?
C41 O3 C44 C43 18.1(7) . . . . ?
Y3 O3 C44 C43 -177.8(4) . . . . ?
C42 C43 C44 O3 -21.3(8) . . . . ?

_diffrn_measured_fraction_theta_max 0.996
_diffrn_reflns_theta_full        27.00
_diffrn_measured_fraction_theta_full 0.996
_refine_diff_density_max         0.709
_refine_diff_density_min         -0.542
_refine_diff_density_rms         0.076
_database_code_depnum_ccdc_archive 'CCDC 935210'
#######################################################################
#
#                 Cambridge Crystallographic Data Centre
#                                CCDC 
# 
#######################################################################
# 
#  This CIF contains data from an original supplementary publication
#  deposited with the CCDC, and may include chemical, crystal,
#  experimental, refinement, atomic coordinates,
#  anisotropic displacement parameters and molecular geometry data,
#  as required by the journal to which it was submitted.
#
#  This CIF is provided on the understanding that it is used for bona
#  fide research purposes only. It may contain copyright material
#  of the CCDC or of third parties, and may not be copied or further
#  disseminated in any form, whether machine-readable or not,
#  except for the purpose of generating routine backup copies
#  on your local computer system.
# 
#  For further information on the CCDC, data deposition and
#  data retrieval see:
#                         www.ccdc.cam.ac.uk
#
#  Bona fide researchers may freely download Mercury and enCIFer
#  from this site to visualise CIF-encoded structures and 
#  to carry out CIF format checking respectively.
#
data_a
#TrackingRef '3b-Eu.cif'


_audit_creation_method           SHELXL-97
_chemical_name_systematic        
;
?
;
_chemical_name_common            ?
_chemical_melting_point          ?
_chemical_formula_moiety         ?
_chemical_formula_sum            'C44 H60 Cl2 Eu3 N7 O3 Si2'
_chemical_formula_weight         1317.95

loop_
_atom_type_symbol
_atom_type_description
_atom_type_scat_dispersion_real
_atom_type_scat_dispersion_imag
_atom_type_scat_source
C C 0.0033 0.0016 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
H H 0.0000 0.0000 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
N N 0.0061 0.0033 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
O O 0.0106 0.0060 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Si Si 0.0817 0.0704 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Cl Cl 0.1484 0.1585 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Eu Eu -0.1578 3.6682 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'

_symmetry_cell_setting           Orthorhombic
_symmetry_space_group_name_H-M   Pbcn

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

_cell_length_a                   15.7284(8)
_cell_length_b                   22.4354(12)
_cell_length_c                   14.1958(7)
_cell_angle_alpha                90.00
_cell_angle_beta                 90.00
_cell_angle_gamma                90.00
_cell_volume                     5009.3(4)
_cell_formula_units_Z            4
_cell_measurement_temperature    293(2)
_cell_measurement_reflns_used    9982
_cell_measurement_theta_min      2.31
_cell_measurement_theta_max      27.50

_exptl_crystal_description       block
_exptl_crystal_colour            'dark red'
_exptl_crystal_size_max          0.12
_exptl_crystal_size_mid          0.11
_exptl_crystal_size_min          0.10
_exptl_crystal_density_meas      ?
_exptl_crystal_density_diffrn    1.748
_exptl_crystal_density_method    'not measured'
_exptl_crystal_F_000             2592
_exptl_absorpt_coefficient_mu    3.909
_exptl_absorpt_correction_type   none
_exptl_absorpt_correction_T_min  0.6513
_exptl_absorpt_correction_T_max  0.6959
_exptl_absorpt_process_details   ?

_exptl_special_details           
;
?
;

_diffrn_ambient_temperature      293(2)
_diffrn_radiation_wavelength     0.71073
_diffrn_radiation_type           MoK\a
_diffrn_radiation_source         'fine-focus sealed tube'
_diffrn_radiation_monochromator  graphite
_diffrn_measurement_device_type  'CCD area detector'
_diffrn_measurement_method       'phi and omega scans'
_diffrn_detector_area_resol_mean ?
_diffrn_standards_number         ?
_diffrn_standards_interval_count ?
_diffrn_standards_interval_time  ?
_diffrn_standards_decay_%        ?
_diffrn_reflns_number            39876
_diffrn_reflns_av_R_equivalents  0.0282
_diffrn_reflns_av_sigmaI/netI    0.0172
_diffrn_reflns_limit_h_min       -20
_diffrn_reflns_limit_h_max       20
_diffrn_reflns_limit_k_min       -28
_diffrn_reflns_limit_k_max       28
_diffrn_reflns_limit_l_min       -17
_diffrn_reflns_limit_l_max       18
_diffrn_reflns_theta_min         1.58
_diffrn_reflns_theta_max         27.00
_reflns_number_total             5474
_reflns_number_gt                4717
_reflns_threshold_expression     >2sigma(I)

_computing_data_collection       'Bruker SMART'
_computing_cell_refinement       'Bruker SMART'
_computing_data_reduction        'Bruker SAINT'
_computing_structure_solution    'SHELXS-97 (Sheldrick, 1990)'
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 1997)'
_computing_molecular_graphics    'Bruker SHELXTL'
_computing_publication_material  'Bruker SHELXTL'

_refine_special_details          
;
Refinement of F^2^ against ALL reflections. The weighted R-factor wR and
goodness of fit S are based on F^2^, conventional R-factors R are based
on F, with F set to zero for negative F^2^. The threshold expression of
F^2^ > 2sigma(F^2^) is used only for calculating R-factors(gt) etc. and is
not relevant to the choice of reflections for refinement. R-factors based
on F^2^ are statistically about twice as large as those based on F, and R-
factors based on ALL data will be even larger.
;

_refine_ls_structure_factor_coef Fsqd
_refine_ls_matrix_type           full
_refine_ls_weighting_scheme      calc
_refine_ls_weighting_details     
'calc w=1/[\s^2^(Fo^2^)+(0.0386P)^2^+13.8643P] where P=(Fo^2^+2Fc^2^)/3'
_atom_sites_solution_primary     direct
_atom_sites_solution_secondary   difmap
_atom_sites_solution_hydrogens   geom
_refine_ls_hydrogen_treatment    constr
_refine_ls_extinction_method     none
_refine_ls_extinction_coef       ?
_refine_ls_number_reflns         5474
_refine_ls_number_parameters     280
_refine_ls_number_restraints     154
_refine_ls_R_factor_all          0.0392
_refine_ls_R_factor_gt           0.0316
_refine_ls_wR_factor_ref         0.0869
_refine_ls_wR_factor_gt          0.0806
_refine_ls_goodness_of_fit_ref   1.099
_refine_ls_restrained_S_all      1.155
_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_symmetry_multiplicity
_atom_site_calc_flag
_atom_site_refinement_flags
_atom_site_disorder_assembly
_atom_site_disorder_group
Eu1 Eu 0.018256(14) 0.199913(10) 0.609576(16) 0.03357(8) Uani 1 1 d U . .
Eu2 Eu 0.0000 0.321519(14) 0.7500 0.03608(9) Uani 1 2 d SU . .
Cl1 Cl -0.09304(10) 0.29459(7) 0.59979(11) 0.0583(4) Uani 1 1 d U . .
Si1 Si -0.09083(10) 0.45825(7) 0.72159(13) 0.0548(4) Uani 1 1 d . . .
O1 O 0.0000 0.2208(2) 0.7500 0.0450(11) Uani 1 2 d S . .
O2 O -0.0214(3) 0.1918(2) 0.4484(4) 0.0766(12) Uani 1 1 d U . .
N1 N -0.0743(3) 0.1201(2) 0.6199(4) 0.0670(12) Uani 1 1 d U . .
N2 N 0.0976(3) 0.1104(2) 0.6053(5) 0.0806(14) Uani 1 1 d U . .
N3 N 0.1141(3) 0.2934(2) 0.6450(4) 0.0522(10) Uani 1 1 d U . .
N4 N 0.0000 0.4194(3) 0.7500 0.0482(14) Uani 1 2 d S . .
C1 C -0.0355(5) 0.0656(3) 0.6245(6) 0.0744(14) Uani 1 1 d U . .
C2 C -0.0954(5) 0.0206(3) 0.6304(6) 0.0918(17) Uani 1 1 d U . .
H2 H -0.0852 -0.0201 0.6348 0.110 Uiso 1 1 calc R . .
C3 C -0.1745(5) 0.0491(4) 0.6282(7) 0.0980(18) Uani 1 1 d U . .
H3 H -0.2275 0.0309 0.6314 0.118 Uiso 1 1 calc R . .
C4 C -0.1588(5) 0.1098(3) 0.6204(6) 0.0844(16) Uani 1 1 d U . .
H4 H -0.2004 0.1391 0.6161 0.101 Uiso 1 1 calc R . .
C5 C 0.0543(5) 0.0625(3) 0.6180(6) 0.0781(15) Uani 1 1 d U . .
H5 H 0.0818 0.0259 0.6230 0.094 Uiso 1 1 calc R . .
C6 C 0.1886(5) 0.1058(4) 0.5908(8) 0.1026(18) Uani 1 1 d U . .
H6A H 0.2106 0.0794 0.6391 0.123 Uiso 1 1 calc R . .
H6B H 0.1972 0.0859 0.5309 0.123 Uiso 1 1 calc R . .
C7 C 0.2380(4) 0.1553(3) 0.5907(6) 0.0836(16) Uani 1 1 d U . .
H7A H 0.2747 0.1536 0.5358 0.100 Uiso 1 1 calc R . .
H7B H 0.2743 0.1539 0.6459 0.100 Uiso 1 1 calc R . .
C8 C 0.1626(3) 0.2436(3) 0.6683(5) 0.0552(12) Uani 1 1 d U . .
H8 H 0.1848 0.2366 0.7318 0.066 Uiso 1 1 calc R . .
C9 C 0.1926(4) 0.2142(3) 0.5901(5) 0.0604(12) Uani 1 1 d U . .
C10 C 0.1660(4) 0.2490(3) 0.5102(5) 0.0579(11) Uani 1 1 d U . .
C11 C 0.1784(4) 0.2445(3) 0.4127(5) 0.0682(14) Uani 1 1 d U . .
H11 H 0.2088 0.2129 0.3871 0.082 Uiso 1 1 calc R . .
C12 C 0.1449(5) 0.2879(4) 0.3559(6) 0.0781(15) Uani 1 1 d U . .
H12 H 0.1530 0.2857 0.2911 0.094 Uiso 1 1 calc R . .
C13 C 0.0987(5) 0.3354(4) 0.3934(5) 0.0789(15) Uani 1 1 d U . .
H13 H 0.0759 0.3637 0.3526 0.095 Uiso 1 1 calc R . .
C14 C 0.0857(4) 0.3418(3) 0.4887(5) 0.0682(14) Uani 1 1 d U . .
H14 H 0.0561 0.3743 0.5130 0.082 Uiso 1 1 calc R . .
C15 C 0.1189(4) 0.2975(2) 0.5476(4) 0.0541(11) Uani 1 1 d U . .
C16 C -0.1894(4) 0.4128(3) 0.7417(6) 0.081(2) Uani 1 1 d . . .
H16A H -0.2386 0.4375 0.7334 0.122 Uiso 1 1 calc R . .
H16B H -0.1888 0.3971 0.8046 0.122 Uiso 1 1 calc R . .
H16C H -0.1911 0.3805 0.6974 0.122 Uiso 1 1 calc R . .
C17 C -0.1075(5) 0.5269(3) 0.7947(6) 0.086(2) Uani 1 1 d . . .
H17A H -0.1544 0.5493 0.7698 0.129 Uiso 1 1 calc R . .
H17B H -0.0570 0.5509 0.7931 0.129 Uiso 1 1 calc R . .
H17C H -0.1195 0.5156 0.8585 0.129 Uiso 1 1 calc R . .
C18 C -0.0910(5) 0.4795(4) 0.5939(5) 0.091(2) Uani 1 1 d . . .
H18A H -0.1405 0.5030 0.5804 0.136 Uiso 1 1 calc R . .
H18B H -0.0916 0.4441 0.5559 0.136 Uiso 1 1 calc R . .
H18C H -0.0408 0.5023 0.5800 0.136 Uiso 1 1 calc R . .
C19 C -0.0031(6) 0.1382(4) 0.3969(6) 0.0883(17) Uani 1 1 d U . .
H19A H 0.0243 0.1090 0.4373 0.106 Uiso 1 1 calc R . .
H19B H 0.0339 0.1465 0.3439 0.106 Uiso 1 1 calc R . .
C20 C -0.0876(6) 0.1158(4) 0.3638(6) 0.0948(18) Uani 1 1 d U . .
H20A H -0.0824 0.0951 0.3041 0.114 Uiso 1 1 calc R . .
H20B H -0.1129 0.0891 0.4097 0.114 Uiso 1 1 calc R . .
C21 C -0.1386(6) 0.1712(4) 0.3536(7) 0.1021(19) Uani 1 1 d U . .
H21A H -0.1474 0.1803 0.2876 0.123 Uiso 1 1 calc R . .
H21B H -0.1936 0.1665 0.3835 0.123 Uiso 1 1 calc R . .
C22 C -0.0907(6) 0.2184(4) 0.3990(6) 0.0985(18) Uani 1 1 d U . .
H22A H -0.0695 0.2462 0.3522 0.118 Uiso 1 1 calc R . .
H22B H -0.1269 0.2401 0.4425 0.118 Uiso 1 1 calc R . .

loop_
_atom_site_aniso_label
_atom_site_aniso_U_11
_atom_site_aniso_U_22
_atom_site_aniso_U_33
_atom_site_aniso_U_23
_atom_site_aniso_U_13
_atom_site_aniso_U_12
Eu1 0.03052(13) 0.02954(13) 0.04065(14) -0.00281(9) -0.00274(8) 0.00100(8)
Eu2 0.03946(17) 0.02582(16) 0.04296(19) 0.000 0.00048(13) 0.000
Cl1 0.0506(7) 0.0592(8) 0.0652(9) 0.0003(7) -0.0104(6) 0.0101(6)
Si1 0.0504(8) 0.0437(8) 0.0704(10) 0.0078(7) 0.0118(7) 0.0084(6)
O1 0.043(3) 0.040(3) 0.052(3) 0.000 -0.002(2) 0.000
O2 0.086(3) 0.072(3) 0.071(3) -0.011(2) -0.028(2) 0.006(2)
N1 0.054(2) 0.050(2) 0.096(3) -0.007(2) 0.012(2) -0.008(2)
N2 0.052(2) 0.048(2) 0.142(4) -0.004(3) 0.001(3) 0.005(2)
N3 0.047(2) 0.046(2) 0.063(2) 0.0009(19) 0.0009(19) -0.0036(17)
N4 0.042(3) 0.040(3) 0.062(4) 0.000 0.007(3) 0.000
C1 0.067(3) 0.047(2) 0.109(3) -0.007(3) 0.011(3) -0.009(2)
C2 0.082(3) 0.060(3) 0.133(4) -0.003(3) 0.017(3) -0.015(3)
C3 0.078(3) 0.073(3) 0.143(4) -0.003(3) 0.017(3) -0.022(3)
C4 0.065(3) 0.066(3) 0.122(4) -0.005(3) 0.018(3) -0.014(3)
C5 0.063(3) 0.048(3) 0.124(4) -0.002(3) 0.003(3) 0.001(2)
C6 0.063(3) 0.069(3) 0.175(4) 0.000(3) 0.005(3) 0.009(3)
C7 0.051(3) 0.062(3) 0.138(4) 0.004(3) 0.012(3) 0.006(2)
C8 0.040(2) 0.052(2) 0.074(3) 0.004(2) -0.004(2) -0.002(2)
C9 0.040(2) 0.051(2) 0.090(3) 0.002(2) 0.006(2) 0.000(2)
C10 0.046(2) 0.055(2) 0.072(3) -0.001(2) 0.008(2) -0.008(2)
C11 0.062(3) 0.072(3) 0.071(3) -0.005(3) 0.015(3) -0.012(3)
C12 0.078(3) 0.087(3) 0.070(3) 0.006(3) 0.013(3) -0.013(3)
C13 0.081(3) 0.081(3) 0.074(3) 0.020(3) 0.003(3) -0.009(3)
C14 0.069(3) 0.062(3) 0.073(3) 0.015(3) 0.005(3) -0.007(2)
C15 0.050(2) 0.049(2) 0.064(2) 0.004(2) 0.003(2) -0.0076(19)
C16 0.047(3) 0.067(4) 0.130(7) 0.020(4) 0.010(4) 0.006(3)
C17 0.090(5) 0.071(5) 0.098(5) -0.011(4) 0.015(4) 0.028(4)
C18 0.091(6) 0.102(6) 0.079(5) 0.021(4) 0.007(4) 0.025(5)
C19 0.099(4) 0.087(4) 0.078(3) -0.022(3) -0.022(3) 0.018(3)
C20 0.112(4) 0.081(4) 0.092(4) -0.021(3) -0.025(3) 0.004(3)
C21 0.108(4) 0.093(4) 0.105(4) -0.016(3) -0.039(3) 0.009(3)
C22 0.110(4) 0.088(4) 0.097(4) -0.014(3) -0.046(3) 0.015(3)

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

loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_site_symmetry_2
_geom_bond_publ_flag
Eu1 O1 2.0676(12) . ?
Eu1 N1 2.312(5) . ?
Eu1 N2 2.364(5) . ?
Eu1 O2 2.378(5) . ?
Eu1 C8 2.610(5) . ?
Eu1 N3 2.631(4) . ?
Eu1 Cl1 2.7560(14) . ?
Eu1 C9 2.775(6) . ?
Eu1 C15 2.842(5) . ?
Eu1 C10 2.933(6) . ?
Eu1 C1 3.137(7) . ?
Eu1 C5 3.137(7) . ?
Eu2 N4 2.195(6) . ?
Eu2 O1 2.261(5) . ?
Eu2 N3 2.416(5) 3_556 ?
Eu2 N3 2.416(5) . ?
Eu2 Cl1 2.6559(15) . ?
Eu2 Cl1 2.6559(15) 3_556 ?
Eu2 Eu1 3.3911(3) 3_556 ?
Si1 N4 1.722(4) . ?
Si1 C18 1.875(7) . ?
Si1 C17 1.875(7) . ?
Si1 C16 1.878(7) . ?
O1 Eu1 2.0676(12) 3_556 ?
O2 C22 1.427(9) . ?
O2 C19 1.438(9) . ?
N1 C4 1.348(9) . ?
N1 C1 1.369(9) . ?
N2 C5 1.286(8) . ?
N2 C6 1.450(9) . ?
N3 C15 1.388(8) . ?
N3 C8 1.392(7) . ?
N4 Si1 1.722(4) 3_556 ?
C1 C2 1.383(9) . ?
C1 C5 1.417(10) . ?
C2 C3 1.399(11) . ?
C2 H2 0.9300 . ?
C3 C4 1.388(11) . ?
C3 H3 0.9300 . ?
C4 H4 0.9300 . ?
C5 H5 0.9300 . ?
C6 C7 1.356(10) . ?
C6 H6A 0.9700 . ?
C6 H6B 0.9700 . ?
C7 C9 1.502(9) . ?
C7 H7A 0.9700 . ?
C7 H7B 0.9700 . ?
C8 C9 1.376(9) . ?
C8 H8 0.9800 . ?
C9 C10 1.439(9) . ?
C10 C11 1.402(9) . ?
C10 C15 1.421(8) . ?
C11 C12 1.370(10) . ?
C11 H11 0.9300 . ?
C12 C13 1.395(11) . ?
C12 H12 0.9300 . ?
C13 C14 1.376(9) . ?
C13 H13 0.9300 . ?
C14 C15 1.400(8) . ?
C14 H14 0.9300 . ?
C16 H16A 0.9600 . ?
C16 H16B 0.9600 . ?
C16 H16C 0.9600 . ?
C17 H17A 0.9600 . ?
C17 H17B 0.9600 . ?
C17 H17C 0.9600 . ?
C18 H18A 0.9600 . ?
C18 H18B 0.9600 . ?
C18 H18C 0.9600 . ?
C19 C20 1.497(11) . ?
C19 H19A 0.9700 . ?
C19 H19B 0.9700 . ?
C20 C21 1.486(11) . ?
C20 H20A 0.9700 . ?
C20 H20B 0.9700 . ?
C21 C22 1.451(11) . ?
C21 H21A 0.9700 . ?
C21 H21B 0.9700 . ?
C22 H22A 0.9700 . ?
C22 H22B 0.9700 . ?

loop_
_geom_angle_atom_site_label_1
_geom_angle_atom_site_label_2
_geom_angle_atom_site_label_3
_geom_angle
_geom_angle_site_symmetry_1
_geom_angle_site_symmetry_3
_geom_angle_publ_flag
O1 Eu1 N1 91.52(18) . . ?
O1 Eu1 N2 106.9(2) . . ?
N1 Eu1 N2 71.1(2) . . ?
O1 Eu1 O2 155.26(13) . . ?
N1 Eu1 O2 80.60(19) . . ?
N2 Eu1 O2 92.8(2) . . ?
O1 Eu1 C8 74.21(15) . . ?
N1 Eu1 C8 144.95(19) . . ?
N2 Eu1 C8 82.44(19) . . ?
O2 Eu1 C8 124.34(19) . . ?
O1 Eu1 N3 73.44(15) . . ?
N1 Eu1 N3 164.95(18) . . ?
N2 Eu1 N3 112.30(18) . . ?
O2 Eu1 N3 113.26(17) . . ?
C8 Eu1 N3 30.79(15) . . ?
O1 Eu1 Cl1 77.65(11) . . ?
N1 Eu1 Cl1 101.52(14) . . ?
N2 Eu1 Cl1 171.21(15) . . ?
O2 Eu1 Cl1 81.00(12) . . ?
C8 Eu1 Cl1 106.19(13) . . ?
N3 Eu1 Cl1 76.06(11) . . ?
O1 Eu1 C9 101.96(15) . . ?
N1 Eu1 C9 135.90(19) . . ?
N2 Eu1 C9 64.78(19) . . ?
O2 Eu1 C9 99.9(2) . . ?
C8 Eu1 C9 29.40(18) . . ?
N3 Eu1 C9 50.28(16) . . ?
Cl1 Eu1 C9 122.26(13) . . ?
O1 Eu1 C15 101.62(17) . . ?
N1 Eu1 C15 165.25(19) . . ?
N2 Eu1 C15 110.63(19) . . ?
O2 Eu1 C15 84.67(18) . . ?
C8 Eu1 C15 47.51(18) . . ?
N3 Eu1 C15 29.05(17) . . ?
Cl1 Eu1 C15 75.19(12) . . ?
C9 Eu1 C15 47.90(17) . . ?
O1 Eu1 C10 119.28(15) . . ?
N1 Eu1 C10 145.08(18) . . ?
N2 Eu1 C10 83.57(19) . . ?
O2 Eu1 C10 76.92(18) . . ?
C8 Eu1 C10 47.42(18) . . ?
N3 Eu1 C10 48.63(16) . . ?
Cl1 Eu1 C10 100.94(13) . . ?
C9 Eu1 C10 29.03(18) . . ?
C15 Eu1 C10 28.42(16) . . ?
O1 Eu1 C1 96.6(2) . . ?
N1 Eu1 C1 23.40(19) . . ?
N2 Eu1 C1 47.82(19) . . ?
O2 Eu1 C1 85.5(2) . . ?
C8 Eu1 C1 125.05(19) . . ?
N3 Eu1 C1 155.13(18) . . ?
Cl1 Eu1 C1 124.92(14) . . ?
C9 Eu1 C1 112.59(18) . . ?
C15 Eu1 C1 155.70(18) . . ?
C10 Eu1 C1 127.34(18) . . ?
O1 Eu1 C5 102.2(2) . . ?
N1 Eu1 C5 49.50(19) . . ?
N2 Eu1 C5 21.76(18) . . ?
O2 Eu1 C5 90.53(19) . . ?
C8 Eu1 C5 101.55(18) . . ?
N3 Eu1 C5 132.27(17) . . ?
Cl1 Eu1 C5 150.94(14) . . ?
C9 Eu1 C5 86.49(18) . . ?
C15 Eu1 C5 131.96(18) . . ?
C10 Eu1 C5 104.13(18) . . ?
C1 Eu1 C5 26.11(18) . . ?
N4 Eu2 O1 180.000(1) . . ?
N4 Eu2 N3 105.14(11) . 3_556 ?
O1 Eu2 N3 74.86(11) . 3_556 ?
N4 Eu2 N3 105.14(11) . . ?
O1 Eu2 N3 74.86(11) . . ?
N3 Eu2 N3 149.7(2) 3_556 . ?
N4 Eu2 Cl1 103.15(3) . . ?
O1 Eu2 Cl1 76.85(3) . . ?
N3 Eu2 Cl1 91.53(12) 3_556 . ?
N3 Eu2 Cl1 81.63(12) . . ?
N4 Eu2 Cl1 103.15(3) . 3_556 ?
O1 Eu2 Cl1 76.85(3) . 3_556 ?
N3 Eu2 Cl1 81.63(12) 3_556 3_556 ?
N3 Eu2 Cl1 91.53(12) . 3_556 ?
Cl1 Eu2 Cl1 153.70(6) . 3_556 ?
N4 Eu2 Eu1 143.566(5) . . ?
O1 Eu2 Eu1 36.434(5) . . ?
N3 Eu2 Eu1 102.44(11) 3_556 . ?
N3 Eu2 Eu1 50.54(11) . . ?
Cl1 Eu2 Eu1 52.53(3) . . ?
Cl1 Eu2 Eu1 104.02(3) 3_556 . ?
N4 Eu2 Eu1 143.566(5) . 3_556 ?
O1 Eu2 Eu1 36.434(5) . 3_556 ?
N3 Eu2 Eu1 50.54(11) 3_556 3_556 ?
N3 Eu2 Eu1 102.44(11) . 3_556 ?
Cl1 Eu2 Eu1 104.02(3) . 3_556 ?
Cl1 Eu2 Eu1 52.53(3) 3_556 3_556 ?
Eu1 Eu2 Eu1 72.869(11) . 3_556 ?
Eu2 Cl1 Eu1 77.58(4) . . ?
N4 Si1 C18 110.9(3) . . ?
N4 Si1 C17 113.7(3) . . ?
C18 Si1 C17 109.0(4) . . ?
N4 Si1 C16 112.0(3) . . ?
C18 Si1 C16 106.5(4) . . ?
C17 Si1 C16 104.3(4) . . ?
Eu1 O1 Eu1 153.9(3) 3_556 . ?
Eu1 O1 Eu2 103.07(14) 3_556 . ?
Eu1 O1 Eu2 103.07(14) . . ?
C22 O2 C19 104.7(5) . . ?
C22 O2 Eu1 129.9(5) . . ?
C19 O2 Eu1 120.0(4) . . ?
C4 N1 C1 106.5(6) . . ?
C4 N1 Eu1 139.0(5) . . ?
C1 N1 Eu1 114.5(4) . . ?
C5 N2 C6 118.8(6) . . ?
C5 N2 Eu1 115.3(5) . . ?
C6 N2 Eu1 125.9(5) . . ?
C15 N3 C8 105.1(5) . . ?
C15 N3 Eu2 129.6(4) . . ?
C8 N3 Eu2 118.0(4) . . ?
C15 N3 Eu1 83.9(3) . . ?
C8 N3 Eu1 73.7(3) . . ?
Eu2 N3 Eu1 84.30(14) . . ?
Si1 N4 Si1 119.1(4) 3_556 . ?
Si1 N4 Eu2 120.44(19) 3_556 . ?
Si1 N4 Eu2 120.44(19) . . ?
N1 C1 C2 110.6(7) . . ?
N1 C1 C5 119.0(6) . . ?
C2 C1 C5 130.3(7) . . ?
N1 C1 Eu1 42.1(3) . . ?
C2 C1 Eu1 152.8(6) . . ?
C5 C1 Eu1 76.9(4) . . ?
C1 C2 C3 105.6(7) . . ?
C1 C2 H2 127.2 . . ?
C3 C2 H2 127.2 . . ?
C4 C3 C2 107.0(7) . . ?
C4 C3 H3 126.5 . . ?
C2 C3 H3 126.5 . . ?
N1 C4 C3 110.2(7) . . ?
N1 C4 H4 124.9 . . ?
C3 C4 H4 124.9 . . ?
N2 C5 C1 119.7(6) . . ?
N2 C5 Eu1 43.0(3) . . ?
C1 C5 Eu1 76.9(4) . . ?
N2 C5 H5 120.1 . . ?
C1 C5 H5 120.1 . . ?
Eu1 C5 H5 162.5 . . ?
C7 C6 N2 120.5(7) . . ?
C7 C6 H6A 107.2 . . ?
N2 C6 H6A 107.2 . . ?
C7 C6 H6B 107.2 . . ?
N2 C6 H6B 107.2 . . ?
H6A C6 H6B 106.8 . . ?
C6 C7 C9 116.6(6) . . ?
C6 C7 H7A 108.1 . . ?
C9 C7 H7A 108.1 . . ?
C6 C7 H7B 108.1 . . ?
C9 C7 H7B 108.1 . . ?
H7A C7 H7B 107.3 . . ?
C9 C8 N3 112.5(6) . . ?
C9 C8 Eu1 82.0(4) . . ?
N3 C8 Eu1 75.5(3) . . ?
C9 C8 H8 122.9 . . ?
N3 C8 H8 122.9 . . ?
Eu1 C8 H8 122.9 . . ?
C8 C9 C10 106.0(5) . . ?
C8 C9 C7 125.6(6) . . ?
C10 C9 C7 128.3(6) . . ?
C8 C9 Eu1 68.6(3) . . ?
C10 C9 Eu1 81.6(3) . . ?
C7 C9 Eu1 111.6(4) . . ?
C11 C10 C15 119.8(6) . . ?
C11 C10 C9 134.4(6) . . ?
C15 C10 C9 105.8(5) . . ?
C11 C10 Eu1 124.0(4) . . ?
C15 C10 Eu1 72.2(3) . . ?
C9 C10 Eu1 69.4(3) . . ?
C12 C11 C10 118.5(7) . . ?
C12 C11 H11 120.8 . . ?
C10 C11 H11 120.8 . . ?
C11 C12 C13 121.3(7) . . ?
C11 C12 H12 119.4 . . ?
C13 C12 H12 119.4 . . ?
C14 C13 C12 122.1(7) . . ?
C14 C13 H13 118.9 . . ?
C12 C13 H13 118.9 . . ?
C13 C14 C15 117.2(7) . . ?
C13 C14 H14 121.4 . . ?
C15 C14 H14 121.4 . . ?
N3 C15 C14 128.5(6) . . ?
N3 C15 C10 110.5(5) . . ?
C14 C15 C10 121.1(6) . . ?
N3 C15 Eu1 67.0(3) . . ?
C14 C15 Eu1 121.6(4) . . ?
C10 C15 Eu1 79.3(3) . . ?
Si1 C16 H16A 109.5 . . ?
Si1 C16 H16B 109.5 . . ?
H16A C16 H16B 109.5 . . ?
Si1 C16 H16C 109.5 . . ?
H16A C16 H16C 109.5 . . ?
H16B C16 H16C 109.5 . . ?
Si1 C17 H17A 109.5 . . ?
Si1 C17 H17B 109.5 . . ?
H17A C17 H17B 109.5 . . ?
Si1 C17 H17C 109.5 . . ?
H17A C17 H17C 109.5 . . ?
H17B C17 H17C 109.5 . . ?
Si1 C18 H18A 109.5 . . ?
Si1 C18 H18B 109.5 . . ?
H18A C18 H18B 109.5 . . ?
Si1 C18 H18C 109.5 . . ?
H18A C18 H18C 109.5 . . ?
H18B C18 H18C 109.5 . . ?
O2 C19 C20 105.3(7) . . ?
O2 C19 H19A 110.7 . . ?
C20 C19 H19A 110.7 . . ?
O2 C19 H19B 110.7 . . ?
C20 C19 H19B 110.7 . . ?
H19A C19 H19B 108.8 . . ?
C21 C20 C19 103.2(7) . . ?
C21 C20 H20A 111.1 . . ?
C19 C20 H20A 111.1 . . ?
C21 C20 H20B 111.1 . . ?
C19 C20 H20B 111.1 . . ?
H20A C20 H20B 109.1 . . ?
C22 C21 C20 106.8(7) . . ?
C22 C21 H21A 110.4 . . ?
C20 C21 H21A 110.4 . . ?
C22 C21 H21B 110.4 . . ?
C20 C21 H21B 110.4 . . ?
H21A C21 H21B 108.6 . . ?
O2 C22 C21 108.0(7) . . ?
O2 C22 H22A 110.1 . . ?
C21 C22 H22A 110.1 . . ?
O2 C22 H22B 110.1 . . ?
C21 C22 H22B 110.1 . . ?
H22A C22 H22B 108.4 . . ?

loop_
_geom_torsion_atom_site_label_1
_geom_torsion_atom_site_label_2
_geom_torsion_atom_site_label_3
_geom_torsion_atom_site_label_4
_geom_torsion
_geom_torsion_site_symmetry_1
_geom_torsion_site_symmetry_2
_geom_torsion_site_symmetry_3
_geom_torsion_site_symmetry_4
_geom_torsion_publ_flag
O1 Eu1 Eu2 N4 180.0 . . . . ?
N1 Eu1 Eu2 N4 -133.47(17) . . . . ?
N2 Eu1 Eu2 N4 129.2(2) . . . . ?
O2 Eu1 Eu2 N4 -29.88(16) . . . . ?
C8 Eu1 Eu2 N4 85.66(15) . . . . ?
N3 Eu1 Eu2 N4 56.93(15) . . . . ?
Cl1 Eu1 Eu2 N4 -56.24(4) . . . . ?
C9 Eu1 Eu2 N4 74.83(14) . . . . ?
C15 Eu1 Eu2 N4 33.45(13) . . . . ?
C10 Eu1 Eu2 N4 45.77(13) . . . . ?
C1 Eu1 Eu2 N4 -158.6(2) . . . . ?
C5 Eu1 Eu2 N4 162.8(2) . . . . ?
N1 Eu1 Eu2 O1 46.53(17) . . . . ?
N2 Eu1 Eu2 O1 -50.8(2) . . . . ?
O2 Eu1 Eu2 O1 150.12(16) . . . . ?
C8 Eu1 Eu2 O1 -94.34(15) . . . . ?
N3 Eu1 Eu2 O1 -123.07(15) . . . . ?
Cl1 Eu1 Eu2 O1 123.76(4) . . . . ?
C9 Eu1 Eu2 O1 -105.17(14) . . . . ?
C15 Eu1 Eu2 O1 -146.55(13) . . . . ?
C10 Eu1 Eu2 O1 -134.23(13) . . . . ?
C1 Eu1 Eu2 O1 21.4(2) . . . . ?
C5 Eu1 Eu2 O1 -17.2(2) . . . . ?
O1 Eu1 Eu2 N3 -41.50(12) . . . 3_556 ?
N1 Eu1 Eu2 N3 5.0(2) . . . 3_556 ?
N2 Eu1 Eu2 N3 -92.3(2) . . . 3_556 ?
O2 Eu1 Eu2 N3 108.6(2) . . . 3_556 ?
C8 Eu1 Eu2 N3 -135.83(19) . . . 3_556 ?
N3 Eu1 Eu2 N3 -164.56(12) . . . 3_556 ?
Cl1 Eu1 Eu2 N3 82.26(12) . . . 3_556 ?
C9 Eu1 Eu2 N3 -146.66(18) . . . 3_556 ?
C15 Eu1 Eu2 N3 171.95(17) . . . 3_556 ?
C10 Eu1 Eu2 N3 -175.73(17) . . . 3_556 ?
C1 Eu1 Eu2 N3 -20.1(2) . . . 3_556 ?
C5 Eu1 Eu2 N3 -58.7(2) . . . 3_556 ?
O1 Eu1 Eu2 N3 123.07(15) . . . . ?
N1 Eu1 Eu2 N3 169.6(2) . . . . ?
N2 Eu1 Eu2 N3 72.3(3) . . . . ?
O2 Eu1 Eu2 N3 -86.8(2) . . . . ?
C8 Eu1 Eu2 N3 28.7(2) . . . . ?
Cl1 Eu1 Eu2 N3 -113.17(16) . . . . ?
C9 Eu1 Eu2 N3 17.9(2) . . . . ?
C15 Eu1 Eu2 N3 -23.5(2) . . . . ?
C10 Eu1 Eu2 N3 -11.2(2) . . . . ?
C1 Eu1 Eu2 N3 144.5(3) . . . . ?
C5 Eu1 Eu2 N3 105.8(3) . . . . ?
O1 Eu1 Eu2 Cl1 -123.76(5) . . . . ?
N1 Eu1 Eu2 Cl1 -77.23(18) . . . . ?
N2 Eu1 Eu2 Cl1 -174.5(2) . . . . ?
O2 Eu1 Eu2 Cl1 26.36(17) . . . . ?
C8 Eu1 Eu2 Cl1 141.90(15) . . . . ?
N3 Eu1 Eu2 Cl1 113.17(16) . . . . ?
C9 Eu1 Eu2 Cl1 131.07(15) . . . . ?
C15 Eu1 Eu2 Cl1 89.69(14) . . . . ?
C10 Eu1 Eu2 Cl1 102.01(13) . . . . ?
C1 Eu1 Eu2 Cl1 -102.3(2) . . . . ?
C5 Eu1 Eu2 Cl1 -141.0(2) . . . . ?
O1 Eu1 Eu2 Cl1 42.85(3) . . . 3_556 ?
N1 Eu1 Eu2 Cl1 89.38(18) . . . 3_556 ?
N2 Eu1 Eu2 Cl1 -7.9(2) . . . 3_556 ?
O2 Eu1 Eu2 Cl1 -167.03(17) . . . 3_556 ?
C8 Eu1 Eu2 Cl1 -51.48(15) . . . 3_556 ?
N3 Eu1 Eu2 Cl1 -80.21(15) . . . 3_556 ?
Cl1 Eu1 Eu2 Cl1 166.61(4) . . . 3_556 ?
C9 Eu1 Eu2 Cl1 -62.31(14) . . . 3_556 ?
C15 Eu1 Eu2 Cl1 -103.70(14) . . . 3_556 ?
C10 Eu1 Eu2 Cl1 -91.38(13) . . . 3_556 ?
C1 Eu1 Eu2 Cl1 64.3(2) . . . 3_556 ?
C5 Eu1 Eu2 Cl1 25.6(2) . . . 3_556 ?
O1 Eu1 Eu2 Eu1 0.0 . . . 3_556 ?
N1 Eu1 Eu2 Eu1 46.53(17) . . . 3_556 ?
N2 Eu1 Eu2 Eu1 -50.8(2) . . . 3_556 ?
O2 Eu1 Eu2 Eu1 150.12(16) . . . 3_556 ?
C8 Eu1 Eu2 Eu1 -94.34(15) . . . 3_556 ?
N3 Eu1 Eu2 Eu1 -123.07(15) . . . 3_556 ?
Cl1 Eu1 Eu2 Eu1 123.76(4) . . . 3_556 ?
C9 Eu1 Eu2 Eu1 -105.17(14) . . . 3_556 ?
C15 Eu1 Eu2 Eu1 -146.55(13) . . . 3_556 ?
C10 Eu1 Eu2 Eu1 -134.23(13) . . . 3_556 ?
C1 Eu1 Eu2 Eu1 21.4(2) . . . 3_556 ?
C5 Eu1 Eu2 Eu1 -17.2(2) . . . 3_556 ?
N4 Eu2 Cl1 Eu1 149.53(2) . . . . ?
O1 Eu2 Cl1 Eu1 -30.47(2) . . . . ?
N3 Eu2 Cl1 Eu1 -104.53(11) 3_556 . . . ?
N3 Eu2 Cl1 Eu1 45.84(11) . . . . ?
Cl1 Eu2 Cl1 Eu1 -30.47(2) 3_556 . . . ?
Eu1 Eu2 Cl1 Eu1 -54.97(3) 3_556 . . . ?
O1 Eu1 Cl1 Eu2 33.55(9) . . . . ?
N1 Eu1 Cl1 Eu2 122.58(15) . . . . ?
N2 Eu1 Cl1 Eu2 155.4(11) . . . . ?
O2 Eu1 Cl1 Eu2 -159.02(14) . . . . ?
C8 Eu1 Cl1 Eu2 -35.74(15) . . . . ?
N3 Eu1 Cl1 Eu2 -42.19(12) . . . . ?
C9 Eu1 Cl1 Eu2 -62.92(18) . . . . ?
C15 Eu1 Cl1 Eu2 -72.19(13) . . . . ?
C10 Eu1 Cl1 Eu2 -84.32(13) . . . . ?
C1 Eu1 Cl1 Eu2 122.99(19) . . . . ?
C5 Eu1 Cl1 Eu2 126.4(3) . . . . ?
N1 Eu1 O1 Eu1 37.92(14) . . . 3_556 ?
N2 Eu1 O1 Eu1 -32.81(14) . . . 3_556 ?
O2 Eu1 O1 Eu1 108.5(4) . . . 3_556 ?
C8 Eu1 O1 Eu1 -109.60(13) . . . 3_556 ?
N3 Eu1 O1 Eu1 -141.69(11) . . . 3_556 ?
Cl1 Eu1 O1 Eu1 139.39(4) . . . 3_556 ?
C9 Eu1 O1 Eu1 -99.80(13) . . . 3_556 ?
C15 Eu1 O1 Eu1 -148.81(12) . . . 3_556 ?
C10 Eu1 O1 Eu1 -124.87(15) . . . 3_556 ?
C1 Eu1 O1 Eu1 15.01(14) . . . 3_556 ?
C5 Eu1 O1 Eu1 -10.86(13) . . . 3_556 ?
N1 Eu1 O1 Eu2 -142.08(14) . . . . ?
N2 Eu1 O1 Eu2 147.19(14) . . . . ?
O2 Eu1 O1 Eu2 -71.5(4) . . . . ?
C8 Eu1 O1 Eu2 70.40(13) . . . . ?
N3 Eu1 O1 Eu2 38.31(11) . . . . ?
Cl1 Eu1 O1 Eu2 -40.61(4) . . . . ?
C9 Eu1 O1 Eu2 80.20(13) . . . . ?
C15 Eu1 O1 Eu2 31.19(12) . . . . ?
C10 Eu1 O1 Eu2 55.13(15) . . . . ?
C1 Eu1 O1 Eu2 -164.99(14) . . . . ?
C5 Eu1 O1 Eu2 169.14(13) . . . . ?
N4 Eu2 O1 Eu1 0(90) . . . 3_556 ?
N3 Eu2 O1 Eu1 -42.09(12) 3_556 . . 3_556 ?
N3 Eu2 O1 Eu1 137.91(12) . . . 3_556 ?
Cl1 Eu2 O1 Eu1 -137.34(4) . . . 3_556 ?
Cl1 Eu2 O1 Eu1 42.66(4) 3_556 . . 3_556 ?
Eu1 Eu2 O1 Eu1 180.0 . . . 3_556 ?
N4 Eu2 O1 Eu1 0(75) . . . . ?
N3 Eu2 O1 Eu1 137.91(12) 3_556 . . . ?
N3 Eu2 O1 Eu1 -42.09(12) . . . . ?
Cl1 Eu2 O1 Eu1 42.66(4) . . . . ?
Cl1 Eu2 O1 Eu1 -137.34(4) 3_556 . . . ?
Eu1 Eu2 O1 Eu1 180.0 3_556 . . . ?
O1 Eu1 O2 C22 15.6(9) . . . . ?
N1 Eu1 O2 C22 88.4(7) . . . . ?
N2 Eu1 O2 C22 158.7(7) . . . . ?
C8 Eu1 O2 C22 -118.5(7) . . . . ?
N3 Eu1 O2 C22 -85.5(7) . . . . ?
Cl1 Eu1 O2 C22 -15.0(6) . . . . ?
C9 Eu1 O2 C22 -136.4(7) . . . . ?
C15 Eu1 O2 C22 -90.8(7) . . . . ?
C10 Eu1 O2 C22 -118.5(7) . . . . ?
C1 Eu1 O2 C22 111.5(7) . . . . ?
C5 Eu1 O2 C22 137.1(7) . . . . ?
O1 Eu1 O2 C19 -134.3(6) . . . . ?
N1 Eu1 O2 C19 -61.5(6) . . . . ?
N2 Eu1 O2 C19 8.9(6) . . . . ?
C8 Eu1 O2 C19 91.7(6) . . . . ?
N3 Eu1 O2 C19 124.7(6) . . . . ?
Cl1 Eu1 O2 C19 -164.8(6) . . . . ?
C9 Eu1 O2 C19 73.8(6) . . . . ?
C15 Eu1 O2 C19 119.4(6) . . . . ?
C10 Eu1 O2 C19 91.6(6) . . . . ?
C1 Eu1 O2 C19 -38.4(6) . . . . ?
C5 Eu1 O2 C19 -12.8(6) . . . . ?
O1 Eu1 N1 C4 79.2(8) . . . . ?
N2 Eu1 N1 C4 -173.5(8) . . . . ?
O2 Eu1 N1 C4 -77.2(8) . . . . ?
C8 Eu1 N1 C4 143.3(7) . . . . ?
N3 Eu1 N1 C4 80.6(11) . . . . ?
Cl1 Eu1 N1 C4 1.5(8) . . . . ?
C9 Eu1 N1 C4 -171.8(7) . . . . ?
C15 Eu1 N1 C4 -74.0(11) . . . . ?
C10 Eu1 N1 C4 -127.6(7) . . . . ?
C1 Eu1 N1 C4 -177.6(11) . . . . ?
C5 Eu1 N1 C4 -176.1(9) . . . . ?
O1 Eu1 N1 C1 -103.2(5) . . . . ?
N2 Eu1 N1 C1 4.2(5) . . . . ?
O2 Eu1 N1 C1 100.4(5) . . . . ?
C8 Eu1 N1 C1 -39.0(7) . . . . ?
N3 Eu1 N1 C1 -101.7(8) . . . . ?
Cl1 Eu1 N1 C1 179.1(5) . . . . ?
C9 Eu1 N1 C1 5.8(7) . . . . ?
C15 Eu1 N1 C1 103.6(8) . . . . ?
C10 Eu1 N1 C1 50.0(7) . . . . ?
C5 Eu1 N1 C1 1.6(5) . . . . ?
O1 Eu1 N2 C5 80.4(6) . . . . ?
N1 Eu1 N2 C5 -5.3(6) . . . . ?
O2 Eu1 N2 C5 -84.4(6) . . . . ?
C8 Eu1 N2 C5 151.3(6) . . . . ?
N3 Eu1 N2 C5 159.0(6) . . . . ?
Cl1 Eu1 N2 C5 -39.5(15) . . . . ?
C9 Eu1 N2 C5 176.0(7) . . . . ?
C15 Eu1 N2 C5 -169.8(6) . . . . ?
C10 Eu1 N2 C5 -160.9(6) . . . . ?
C1 Eu1 N2 C5 -3.1(5) . . . . ?
O1 Eu1 N2 C6 -98.9(7) . . . . ?
N1 Eu1 N2 C6 175.3(8) . . . . ?
O2 Eu1 N2 C6 96.3(7) . . . . ?
C8 Eu1 N2 C6 -28.0(7) . . . . ?
N3 Eu1 N2 C6 -20.3(8) . . . . ?
Cl1 Eu1 N2 C6 141.2(9) . . . . ?
C9 Eu1 N2 C6 -3.4(7) . . . . ?
C15 Eu1 N2 C6 10.9(8) . . . . ?
C10 Eu1 N2 C6 19.8(7) . . . . ?
C1 Eu1 N2 C6 177.6(9) . . . . ?
C5 Eu1 N2 C6 -179.3(12) . . . . ?
N4 Eu2 N3 C15 -71.7(4) . . . . ?
O1 Eu2 N3 C15 108.3(4) . . . . ?
N3 Eu2 N3 C15 108.3(4) 3_556 . . . ?
Cl1 Eu2 N3 C15 29.7(4) . . . . ?
Cl1 Eu2 N3 C15 -175.8(4) 3_556 . . . ?
Eu1 Eu2 N3 C15 77.3(4) . . . . ?
Eu1 Eu2 N3 C15 132.4(4) 3_556 . . . ?
N4 Eu2 N3 C8 142.9(4) . . . . ?
O1 Eu2 N3 C8 -37.1(4) . . . . ?
N3 Eu2 N3 C8 -37.1(4) 3_556 . . . ?
Cl1 Eu2 N3 C8 -115.7(4) . . . . ?
Cl1 Eu2 N3 C8 38.8(4) 3_556 . . . ?
Eu1 Eu2 N3 C8 -68.2(4) . . . . ?
Eu1 Eu2 N3 C8 -13.1(4) 3_556 . . . ?
N4 Eu2 N3 Eu1 -148.96(7) . . . . ?
O1 Eu2 N3 Eu1 31.04(7) . . . . ?
N3 Eu2 N3 Eu1 31.04(7) 3_556 . . . ?
Cl1 Eu2 N3 Eu1 -47.52(9) . . . . ?
Cl1 Eu2 N3 Eu1 106.98(10) 3_556 . . . ?
Eu1 Eu2 N3 Eu1 55.09(11) 3_556 . . . ?
O1 Eu1 N3 C15 -165.5(3) . . . . ?
N1 Eu1 N3 C15 -167.0(6) . . . . ?
N2 Eu1 N3 C15 92.6(4) . . . . ?
O2 Eu1 N3 C15 -10.9(4) . . . . ?
C8 Eu1 N3 C15 107.7(5) . . . . ?
Cl1 Eu1 N3 C15 -84.5(3) . . . . ?
C9 Eu1 N3 C15 72.6(4) . . . . ?
C10 Eu1 N3 C15 34.1(3) . . . . ?
C1 Eu1 N3 C15 125.4(5) . . . . ?
C5 Eu1 N3 C15 103.0(4) . . . . ?
O1 Eu1 N3 C8 86.8(3) . . . . ?
N1 Eu1 N3 C8 85.3(7) . . . . ?
N2 Eu1 N3 C8 -15.0(4) . . . . ?
O2 Eu1 N3 C8 -118.6(3) . . . . ?
Cl1 Eu1 N3 C8 167.8(3) . . . . ?
C9 Eu1 N3 C8 -35.1(3) . . . . ?
C15 Eu1 N3 C8 -107.7(5) . . . . ?
C10 Eu1 N3 C8 -73.5(4) . . . . ?
C1 Eu1 N3 C8 17.7(6) . . . . ?
C5 Eu1 N3 C8 -4.7(4) . . . . ?
O1 Eu1 N3 Eu2 -34.59(12) . . . . ?
N1 Eu1 N3 Eu2 -36.1(7) . . . . ?
N2 Eu1 N3 Eu2 -136.4(2) . . . . ?
O2 Eu1 N3 Eu2 120.04(16) . . . . ?
C8 Eu1 N3 Eu2 -121.4(4) . . . . ?
Cl1 Eu1 N3 Eu2 46.42(9) . . . . ?
C9 Eu1 N3 Eu2 -156.5(3) . . . . ?
C15 Eu1 N3 Eu2 130.9(4) . . . . ?
C10 Eu1 N3 Eu2 165.1(3) . . . . ?
C1 Eu1 N3 Eu2 -103.7(4) . . . . ?
C5 Eu1 N3 Eu2 -126.1(2) . . . . ?
C18 Si1 N4 Si1 84.7(3) . . . 3_556 ?
C17 Si1 N4 Si1 -38.5(3) . . . 3_556 ?
C16 Si1 N4 Si1 -156.4(3) . . . 3_556 ?
C18 Si1 N4 Eu2 -95.3(3) . . . . ?
C17 Si1 N4 Eu2 141.5(3) . . . . ?
C16 Si1 N4 Eu2 23.6(3) . . . . ?
O1 Eu2 N4 Si1 0(20) . . . 3_556 ?
N3 Eu2 N4 Si1 124.52(14) 3_556 . . 3_556 ?
N3 Eu2 N4 Si1 -55.48(14) . . . 3_556 ?
Cl1 Eu2 N4 Si1 -140.23(8) . . . 3_556 ?
Cl1 Eu2 N4 Si1 39.77(8) 3_556 . . 3_556 ?
Eu1 Eu2 N4 Si1 -97.57(7) . . . 3_556 ?
Eu1 Eu2 N4 Si1 82.43(7) 3_556 . . 3_556 ?
O1 Eu2 N4 Si1 0(100) . . . . ?
N3 Eu2 N4 Si1 -55.48(14) 3_556 . . . ?
N3 Eu2 N4 Si1 124.52(14) . . . . ?
Cl1 Eu2 N4 Si1 39.77(8) . . . . ?
Cl1 Eu2 N4 Si1 -140.23(8) 3_556 . . . ?
Eu1 Eu2 N4 Si1 82.43(7) . . . . ?
Eu1 Eu2 N4 Si1 -97.57(7) 3_556 . . . ?
C4 N1 C1 C2 -1.5(9) . . . . ?
Eu1 N1 C1 C2 -179.9(6) . . . . ?
C4 N1 C1 C5 175.3(7) . . . . ?
Eu1 N1 C1 C5 -3.0(9) . . . . ?
C4 N1 C1 Eu1 178.4(8) . . . . ?
O1 Eu1 C1 N1 78.5(5) . . . . ?
N2 Eu1 C1 N1 -174.7(7) . . . . ?
O2 Eu1 C1 N1 -76.7(5) . . . . ?
C8 Eu1 C1 N1 153.8(5) . . . . ?
N3 Eu1 C1 N1 142.8(5) . . . . ?
Cl1 Eu1 C1 N1 -1.0(6) . . . . ?
C9 Eu1 C1 N1 -175.6(5) . . . . ?
C15 Eu1 C1 N1 -143.1(5) . . . . ?
C10 Eu1 C1 N1 -146.5(5) . . . . ?
C5 Eu1 C1 N1 -177.3(8) . . . . ?
O1 Eu1 C1 C2 78.7(14) . . . . ?
N1 Eu1 C1 C2 0.2(11) . . . . ?
N2 Eu1 C1 C2 -174.5(15) . . . . ?
O2 Eu1 C1 C2 -76.6(14) . . . . ?
C8 Eu1 C1 C2 154.0(13) . . . . ?
N3 Eu1 C1 C2 143.0(12) . . . . ?
Cl1 Eu1 C1 C2 -0.8(14) . . . . ?
C9 Eu1 C1 C2 -175.4(13) . . . . ?
C15 Eu1 C1 C2 -142.9(12) . . . . ?
C10 Eu1 C1 C2 -146.3(13) . . . . ?
C5 Eu1 C1 C2 -177.1(16) . . . . ?
O1 Eu1 C1 C5 -104.2(4) . . . . ?
N1 Eu1 C1 C5 177.3(8) . . . . ?
N2 Eu1 C1 C5 2.6(4) . . . . ?
O2 Eu1 C1 C5 100.5(5) . . . . ?
C8 Eu1 C1 C5 -28.9(5) . . . . ?
N3 Eu1 C1 C5 -39.9(7) . . . . ?
Cl1 Eu1 C1 C5 176.3(4) . . . . ?
C9 Eu1 C1 C5 1.7(5) . . . . ?
C15 Eu1 C1 C5 34.2(8) . . . . ?
C10 Eu1 C1 C5 30.8(5) . . . . ?
N1 C1 C2 C3 0.7(10) . . . . ?
C5 C1 C2 C3 -175.8(8) . . . . ?
Eu1 C1 C2 C3 0.5(17) . . . . ?
C1 C2 C3 C4 0.5(11) . . . . ?
C1 N1 C4 C3 1.8(10) . . . . ?
Eu1 N1 C4 C3 179.6(6) . . . . ?
C2 C3 C4 N1 -1.4(11) . . . . ?
C6 N2 C5 C1 -174.8(8) . . . . ?
Eu1 N2 C5 C1 5.8(10) . . . . ?
C6 N2 C5 Eu1 179.4(11) . . . . ?
N1 C1 C5 N2 -2.0(12) . . . . ?
C2 C1 C5 N2 174.2(9) . . . . ?
Eu1 C1 C5 N2 -4.1(7) . . . . ?
N1 C1 C5 Eu1 2.1(6) . . . . ?
C2 C1 C5 Eu1 178.3(10) . . . . ?
O1 Eu1 C5 N2 -105.2(6) . . . . ?
N1 Eu1 C5 N2 173.4(7) . . . . ?
O2 Eu1 C5 N2 96.2(6) . . . . ?
C8 Eu1 C5 N2 -29.1(6) . . . . ?
N3 Eu1 C5 N2 -26.6(7) . . . . ?
Cl1 Eu1 C5 N2 168.5(5) . . . . ?
C9 Eu1 C5 N2 -3.7(6) . . . . ?
C15 Eu1 C5 N2 12.9(7) . . . . ?
C10 Eu1 C5 N2 19.6(6) . . . . ?
C1 Eu1 C5 N2 174.8(9) . . . . ?
O1 Eu1 C5 C1 80.1(4) . . . . ?
N1 Eu1 C5 C1 -1.4(4) . . . . ?
N2 Eu1 C5 C1 -174.8(9) . . . . ?
O2 Eu1 C5 C1 -78.6(5) . . . . ?
C8 Eu1 C5 C1 156.2(4) . . . . ?
N3 Eu1 C5 C1 158.6(4) . . . . ?
Cl1 Eu1 C5 C1 -6.3(6) . . . . ?
C9 Eu1 C5 C1 -178.5(5) . . . . ?
C15 Eu1 C5 C1 -161.9(4) . . . . ?
C10 Eu1 C5 C1 -155.2(4) . . . . ?
C5 N2 C6 C7 -170.4(9) . . . . ?
Eu1 N2 C6 C7 8.9(14) . . . . ?
N2 C6 C7 C9 -9.8(14) . . . . ?
C15 N3 C8 C9 -4.2(6) . . . . ?
Eu2 N3 C8 C9 148.9(4) . . . . ?
Eu1 N3 C8 C9 74.7(4) . . . . ?
C15 N3 C8 Eu1 -78.9(4) . . . . ?
Eu2 N3 C8 Eu1 74.2(3) . . . . ?
O1 Eu1 C8 C9 160.2(4) . . . . ?
N1 Eu1 C8 C9 91.0(5) . . . . ?
N2 Eu1 C8 C9 50.2(4) . . . . ?
O2 Eu1 C8 C9 -38.0(4) . . . . ?
N3 Eu1 C8 C9 -115.8(5) . . . . ?
Cl1 Eu1 C8 C9 -128.1(3) . . . . ?
C15 Eu1 C8 C9 -76.9(4) . . . . ?
C10 Eu1 C8 C9 -38.0(3) . . . . ?
C1 Eu1 C8 C9 73.2(4) . . . . ?
C5 Eu1 C8 C9 60.7(4) . . . . ?
O1 Eu1 C8 N3 -84.0(3) . . . . ?
N1 Eu1 C8 N3 -153.2(3) . . . . ?
N2 Eu1 C8 N3 166.0(4) . . . . ?
O2 Eu1 C8 N3 77.8(4) . . . . ?
Cl1 Eu1 C8 N3 -12.3(4) . . . . ?
C9 Eu1 C8 N3 115.8(5) . . . . ?
C15 Eu1 C8 N3 38.9(3) . . . . ?
C10 Eu1 C8 N3 77.8(4) . . . . ?
C1 Eu1 C8 N3 -171.0(3) . . . . ?
C5 Eu1 C8 N3 176.4(3) . . . . ?
N3 C8 C9 C10 3.4(7) . . . . ?
Eu1 C8 C9 C10 74.0(4) . . . . ?
N3 C8 C9 C7 -172.4(5) . . . . ?
Eu1 C8 C9 C7 -101.9(6) . . . . ?
N3 C8 C9 Eu1 -70.6(4) . . . . ?
C6 C7 C9 C8 84.9(10) . . . . ?
C6 C7 C9 C10 -90.0(10) . . . . ?
C6 C7 C9 Eu1 6.4(10) . . . . ?
O1 Eu1 C9 C8 -19.5(4) . . . . ?
N1 Eu1 C9 C8 -124.4(4) . . . . ?
N2 Eu1 C9 C8 -122.7(4) . . . . ?
O2 Eu1 C9 C8 148.9(4) . . . . ?
N3 Eu1 C9 C8 36.8(3) . . . . ?
Cl1 Eu1 C9 C8 63.3(4) . . . . ?
C15 Eu1 C9 C8 75.5(4) . . . . ?
C10 Eu1 C9 C8 110.9(5) . . . . ?
C1 Eu1 C9 C8 -121.9(4) . . . . ?
C5 Eu1 C9 C8 -121.2(4) . . . . ?
O1 Eu1 C9 C10 -130.4(4) . . . . ?
N1 Eu1 C9 C10 124.7(4) . . . . ?
N2 Eu1 C9 C10 126.4(4) . . . . ?
O2 Eu1 C9 C10 38.0(4) . . . . ?
C8 Eu1 C9 C10 -110.9(5) . . . . ?
N3 Eu1 C9 C10 -74.1(4) . . . . ?
Cl1 Eu1 C9 C10 -47.6(4) . . . . ?
C15 Eu1 C9 C10 -35.5(3) . . . . ?
C1 Eu1 C9 C10 127.2(4) . . . . ?
C5 Eu1 C9 C10 127.9(4) . . . . ?
O1 Eu1 C9 C7 101.6(5) . . . . ?
N1 Eu1 C9 C7 -3.3(7) . . . . ?
N2 Eu1 C9 C7 -1.6(5) . . . . ?
O2 Eu1 C9 C7 -90.0(5) . . . . ?
C8 Eu1 C9 C7 121.1(7) . . . . ?
N3 Eu1 C9 C7 157.9(6) . . . . ?
Cl1 Eu1 C9 C7 -175.5(5) . . . . ?
C15 Eu1 C9 C7 -163.4(6) . . . . ?
C10 Eu1 C9 C7 -128.0(7) . . . . ?
C1 Eu1 C9 C7 -0.8(6) . . . . ?
C5 Eu1 C9 C7 -0.1(5) . . . . ?
C8 C9 C10 C11 177.3(7) . . . . ?
C7 C9 C10 C11 -7.0(11) . . . . ?
Eu1 C9 C10 C11 -117.9(7) . . . . ?
C8 C9 C10 C15 -1.2(6) . . . . ?
C7 C9 C10 C15 174.4(6) . . . . ?
Eu1 C9 C10 C15 63.6(4) . . . . ?
C8 C9 C10 Eu1 -64.8(4) . . . . ?
C7 C9 C10 Eu1 110.9(6) . . . . ?
O1 Eu1 C10 C11 -171.0(5) . . . . ?
N1 Eu1 C10 C11 40.1(7) . . . . ?
N2 Eu1 C10 C11 83.3(6) . . . . ?
O2 Eu1 C10 C11 -11.1(5) . . . . ?
C8 Eu1 C10 C11 168.9(7) . . . . ?
N3 Eu1 C10 C11 -149.3(6) . . . . ?
Cl1 Eu1 C10 C11 -89.1(6) . . . . ?
C9 Eu1 C10 C11 130.4(7) . . . . ?
C15 Eu1 C10 C11 -114.4(7) . . . . ?
C1 Eu1 C10 C11 62.7(6) . . . . ?
C5 Eu1 C10 C11 76.1(6) . . . . ?
O1 Eu1 C10 C15 -56.6(4) . . . . ?
N1 Eu1 C10 C15 154.5(4) . . . . ?
N2 Eu1 C10 C15 -162.4(4) . . . . ?
O2 Eu1 C10 C15 103.2(4) . . . . ?
C8 Eu1 C10 C15 -76.7(4) . . . . ?
N3 Eu1 C10 C15 -34.9(3) . . . . ?
Cl1 Eu1 C10 C15 25.3(4) . . . . ?
C9 Eu1 C10 C15 -115.2(5) . . . . ?
C1 Eu1 C10 C15 177.0(4) . . . . ?
C5 Eu1 C10 C15 -169.6(4) . . . . ?
O1 Eu1 C10 C9 58.6(4) . . . . ?
N1 Eu1 C10 C9 -90.2(5) . . . . ?
N2 Eu1 C10 C9 -47.1(4) . . . . ?
O2 Eu1 C10 C9 -141.5(4) . . . . ?
C8 Eu1 C10 C9 38.5(3) . . . . ?
N3 Eu1 C10 C9 80.3(4) . . . . ?
Cl1 Eu1 C10 C9 140.5(3) . . . . ?
C15 Eu1 C10 C9 115.2(5) . . . . ?
C1 Eu1 C10 C9 -67.7(4) . . . . ?
C5 Eu1 C10 C9 -54.3(4) . . . . ?
C15 C10 C11 C12 0.4(9) . . . . ?
C9 C10 C11 C12 -178.0(7) . . . . ?
Eu1 C10 C11 C12 88.2(7) . . . . ?
C10 C11 C12 C13 -0.5(11) . . . . ?
C11 C12 C13 C14 1.2(12) . . . . ?
C12 C13 C14 C15 -1.8(11) . . . . ?
C8 N3 C15 C14 -175.7(6) . . . . ?
Eu2 N3 C15 C14 35.5(8) . . . . ?
Eu1 N3 C15 C14 113.0(6) . . . . ?
C8 N3 C15 C10 3.2(6) . . . . ?
Eu2 N3 C15 C10 -145.5(4) . . . . ?
Eu1 N3 C15 C10 -68.1(4) . . . . ?
C8 N3 C15 Eu1 71.3(3) . . . . ?
Eu2 N3 C15 Eu1 -77.4(3) . . . . ?
C13 C14 C15 N3 -179.5(6) . . . . ?
C13 C14 C15 C10 1.7(9) . . . . ?
C13 C14 C15 Eu1 -95.0(7) . . . . ?
C11 C10 C15 N3 179.9(5) . . . . ?
C9 C10 C15 N3 -1.3(6) . . . . ?
Eu1 C10 C15 N3 60.4(4) . . . . ?
C11 C10 C15 C14 -1.0(9) . . . . ?
C9 C10 C15 C14 177.7(5) . . . . ?
Eu1 C10 C15 C14 -120.6(6) . . . . ?
C11 C10 C15 Eu1 119.6(5) . . . . ?
C9 C10 C15 Eu1 -61.7(4) . . . . ?
O1 Eu1 C15 N3 14.2(3) . . . . ?
N1 Eu1 C15 N3 166.8(6) . . . . ?
N2 Eu1 C15 N3 -99.1(3) . . . . ?
O2 Eu1 C15 N3 170.0(3) . . . . ?
C8 Eu1 C15 N3 -41.4(3) . . . . ?
Cl1 Eu1 C15 N3 87.9(3) . . . . ?
C9 Eu1 C15 N3 -81.5(4) . . . . ?
C10 Eu1 C15 N3 -117.8(5) . . . . ?
C1 Eu1 C15 N3 -123.6(5) . . . . ?
C5 Eu1 C15 N3 -104.1(4) . . . . ?
O1 Eu1 C15 C14 -108.0(5) . . . . ?
N1 Eu1 C15 C14 44.6(10) . . . . ?
N2 Eu1 C15 C14 138.8(5) . . . . ?
O2 Eu1 C15 C14 47.8(5) . . . . ?
C8 Eu1 C15 C14 -163.6(6) . . . . ?
N3 Eu1 C15 C14 -122.2(7) . . . . ?
Cl1 Eu1 C15 C14 -34.3(5) . . . . ?
C9 Eu1 C15 C14 156.3(6) . . . . ?
C10 Eu1 C15 C14 120.0(7) . . . . ?
C1 Eu1 C15 C14 114.3(6) . . . . ?
C5 Eu1 C15 C14 133.7(5) . . . . ?
O1 Eu1 C15 C10 132.0(4) . . . . ?
N1 Eu1 C15 C10 -75.4(8) . . . . ?
N2 Eu1 C15 C10 18.8(4) . . . . ?
O2 Eu1 C15 C10 -72.2(4) . . . . ?
C8 Eu1 C15 C10 76.4(4) . . . . ?
N3 Eu1 C15 C10 117.8(5) . . . . ?
Cl1 Eu1 C15 C10 -154.3(4) . . . . ?
C9 Eu1 C15 C10 36.3(4) . . . . ?
C1 Eu1 C15 C10 -5.8(7) . . . . ?
C5 Eu1 C15 C10 13.7(5) . . . . ?
C22 O2 C19 C20 -35.6(9) . . . . ?
Eu1 O2 C19 C20 120.9(6) . . . . ?
O2 C19 C20 C21 29.3(10) . . . . ?
C19 C20 C21 C22 -12.1(11) . . . . ?
C19 O2 C22 C21 28.1(10) . . . . ?
Eu1 O2 C22 C21 -125.2(7) . . . . ?
C20 C21 C22 O2 -9.4(12) . . . . ?

_diffrn_measured_fraction_theta_max 1.000
_diffrn_reflns_theta_full        27.00
_diffrn_measured_fraction_theta_full 1.000
_refine_diff_density_max         1.035
_refine_diff_density_min         -1.571
_refine_diff_density_rms         0.152
_database_code_depnum_ccdc_archive 'CCDC 935211'
#######################################################################
#
#                 Cambridge Crystallographic Data Centre
#                                CCDC 
# 
#######################################################################
# 
#  This CIF contains data from an original supplementary publication
#  deposited with the CCDC, and may include chemical, crystal,
#  experimental, refinement, atomic coordinates,
#  anisotropic displacement parameters and molecular geometry data,
#  as required by the journal to which it was submitted.
#
#  This CIF is provided on the understanding that it is used for bona
#  fide research purposes only. It may contain copyright material
#  of the CCDC or of third parties, and may not be copied or further
#  disseminated in any form, whether machine-readable or not,
#  except for the purpose of generating routine backup copies
#  on your local computer system.
# 
#  For further information on the CCDC, data deposition and
#  data retrieval see:
#                         www.ccdc.cam.ac.uk
#
#  Bona fide researchers may freely download Mercury and enCIFer
#  from this site to visualise CIF-encoded structures and 
#  to carry out CIF format checking respectively.
#
data_100510a
#TrackingRef '3c-Dy.cif'


_audit_creation_method           SHELXL-97
_chemical_name_systematic        
;
?
;
_chemical_name_common            ?
_chemical_melting_point          ?
_chemical_formula_moiety         ?
_chemical_formula_sum            'C44 H60 Cl2 Dy3 N7 O3 Si2'
_chemical_formula_weight         1349.57

loop_
_atom_type_symbol
_atom_type_description
_atom_type_scat_dispersion_real
_atom_type_scat_dispersion_imag
_atom_type_scat_source
C C 0.0033 0.0016 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
H H 0.0000 0.0000 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
N N 0.0061 0.0033 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
O O 0.0106 0.0060 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Si Si 0.0817 0.0704 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Cl Cl 0.1484 0.1585 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Dy Dy -0.1892 4.4098 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'

_symmetry_cell_setting           Monoclinic
_symmetry_space_group_name_H-M   P2(1)/n

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

_cell_length_a                   15.2357(10)
_cell_length_b                   15.9351(10)
_cell_length_c                   21.1225(13)
_cell_angle_alpha                90.00
_cell_angle_beta                 92.9290(10)
_cell_angle_gamma                90.00
_cell_volume                     5121.5(6)
_cell_formula_units_Z            4
_cell_measurement_temperature    293(2)
_cell_measurement_reflns_used    9825
_cell_measurement_theta_min      2.32
_cell_measurement_theta_max      27.46

_exptl_crystal_description       block
_exptl_crystal_colour            'light yellow'
_exptl_crystal_size_max          0.14
_exptl_crystal_size_mid          0.14
_exptl_crystal_size_min          0.12
_exptl_crystal_density_meas      ?
_exptl_crystal_density_diffrn    1.750
_exptl_crystal_density_method    'not measured'
_exptl_crystal_F_000             2628
_exptl_absorpt_coefficient_mu    4.526
_exptl_absorpt_correction_type   none
_exptl_absorpt_correction_T_min  0.5698
_exptl_absorpt_correction_T_max  0.6127
_exptl_absorpt_process_details   ?

_exptl_special_details           
;
?
;

_diffrn_ambient_temperature      293(2)
_diffrn_radiation_wavelength     0.71073
_diffrn_radiation_type           MoK\a
_diffrn_radiation_source         'fine-focus sealed tube'
_diffrn_radiation_monochromator  graphite
_diffrn_measurement_device_type  'CCD area detector'
_diffrn_measurement_method       'phi and omega scans'
_diffrn_detector_area_resol_mean ?
_diffrn_standards_number         ?
_diffrn_standards_interval_count ?
_diffrn_standards_interval_time  ?
_diffrn_standards_decay_%        ?
_diffrn_reflns_number            42053
_diffrn_reflns_av_R_equivalents  0.0327
_diffrn_reflns_av_sigmaI/netI    0.0279
_diffrn_reflns_limit_h_min       -19
_diffrn_reflns_limit_h_max       19
_diffrn_reflns_limit_k_min       -20
_diffrn_reflns_limit_k_max       20
_diffrn_reflns_limit_l_min       -26
_diffrn_reflns_limit_l_max       26
_diffrn_reflns_theta_min         1.60
_diffrn_reflns_theta_max         27.00
_reflns_number_total             11144
_reflns_number_gt                9147
_reflns_threshold_expression     >2sigma(I)

_computing_data_collection       'Bruker SMART'
_computing_cell_refinement       'Bruker SMART'
_computing_data_reduction        'Bruker SAINT'
_computing_structure_solution    'SHELXS-97 (Sheldrick, 1990)'
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 1997)'
_computing_molecular_graphics    'Bruker SHELXTL'
_computing_publication_material  'Bruker SHELXTL'

_refine_special_details          
;
Refinement of F^2^ against ALL reflections. The weighted R-factor wR and
goodness of fit S are based on F^2^, conventional R-factors R are based
on F, with F set to zero for negative F^2^. The threshold expression of
F^2^ > 2sigma(F^2^) is used only for calculating R-factors(gt) etc. and is
not relevant to the choice of reflections for refinement. R-factors based
on F^2^ are statistically about twice as large as those based on F, and R-
factors based on ALL data will be even larger.
;

_refine_ls_structure_factor_coef Fsqd
_refine_ls_matrix_type           full
_refine_ls_weighting_scheme      calc
_refine_ls_weighting_details     
'calc w=1/[\s^2^(Fo^2^)+(0.0260P)^2^+8.4874P] where P=(Fo^2^+2Fc^2^)/3'
_atom_sites_solution_primary     direct
_atom_sites_solution_secondary   difmap
_atom_sites_solution_hydrogens   geom
_refine_ls_hydrogen_treatment    constr
_refine_ls_extinction_method     none
_refine_ls_extinction_coef       ?
_refine_ls_number_reflns         11144
_refine_ls_number_parameters     556
_refine_ls_number_restraints     306
_refine_ls_R_factor_all          0.0412
_refine_ls_R_factor_gt           0.0290
_refine_ls_wR_factor_ref         0.0759
_refine_ls_wR_factor_gt          0.0666
_refine_ls_goodness_of_fit_ref   1.111
_refine_ls_restrained_S_all      1.148
_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_symmetry_multiplicity
_atom_site_calc_flag
_atom_site_refinement_flags
_atom_site_disorder_assembly
_atom_site_disorder_group
Dy1 Dy 0.200659(12) 0.254103(12) 0.201375(10) 0.03722(6) Uani 1 1 d . . .
Dy2 Dy 0.387617(12) 0.222830(14) 0.114423(10) 0.04056(6) Uani 1 1 d . . .
Dy3 Dy 0.207350(13) 0.248322(13) 0.008936(10) 0.04060(6) Uani 1 1 d . . .
Cl1 Cl 0.36024(7) 0.33900(7) 0.20491(6) 0.0497(3) Uani 1 1 d . . .
Cl2 Cl 0.32214(8) 0.11188(8) 0.02441(6) 0.0580(3) Uani 1 1 d . . .
Si1 Si 0.58985(9) 0.14316(11) 0.13257(7) 0.0612(4) Uani 1 1 d U . .
Si2 Si 0.59099(10) 0.32700(12) 0.10306(8) 0.0697(5) Uani 1 1 d . . .
O1 O 0.24040(18) 0.24964(17) 0.10655(14) 0.0375(6) Uani 1 1 d . . .
O2 O 0.2015(2) 0.3146(2) 0.30561(16) 0.0577(8) Uani 1 1 d U . .
O3 O 0.1747(2) 0.1833(3) -0.09379(17) 0.0689(10) Uani 1 1 d U . .
N1 N 0.0944(2) 0.3600(2) 0.1815(2) 0.0512(9) Uani 1 1 d U . .
N2 N 0.0536(2) 0.1962(2) 0.2077(2) 0.0590(11) Uani 1 1 d U . .
N3 N 0.3219(2) 0.1327(2) 0.19589(18) 0.0446(8) Uani 1 1 d U . .
N4 N 0.0669(3) 0.1887(3) 0.0244(2) 0.0545(10) Uani 1 1 d U . .
N5 N 0.0969(3) 0.3563(3) 0.0025(3) 0.0694(12) Uani 1 1 d U . .
N6 N 0.3655(2) 0.3178(3) 0.02306(18) 0.0519(9) Uani 1 1 d U . .
N7 N 0.5356(2) 0.2349(3) 0.1185(2) 0.0532(10) Uani 1 1 d U . .
C1 C 0.0081(3) 0.3326(3) 0.1811(2) 0.0510(11) Uani 1 1 d U . .
C2 C -0.0487(4) 0.4003(4) 0.1722(3) 0.0770(16) Uani 1 1 d U . .
H2A H -0.1098 0.3987 0.1701 0.092 Uiso 1 1 calc R . .
C3 C 0.0037(4) 0.4703(4) 0.1671(4) 0.0909(19) Uani 1 1 d U . .
H3A H -0.0155 0.5252 0.1608 0.109 Uiso 1 1 calc R . .
C4 C 0.0898(4) 0.4437(3) 0.1731(3) 0.0731(15) Uani 1 1 d U . .
H4A H 0.1383 0.4789 0.1714 0.088 Uiso 1 1 calc R . .
C5 C -0.0094(3) 0.2477(3) 0.1931(3) 0.0521(11) Uani 1 1 d U . .
H5A H -0.0671 0.2285 0.1906 0.063 Uiso 1 1 calc R . .
C6 C 0.0312(4) 0.1113(4) 0.2283(4) 0.098(2) Uani 1 1 d U . .
H6A H 0.0176 0.1137 0.2726 0.117 Uiso 1 1 calc R . .
H6B H -0.0216 0.0935 0.2044 0.117 Uiso 1 1 calc R . .
C7 C 0.0959(4) 0.0510(3) 0.2214(4) 0.0843(18) Uani 1 1 d U . .
H7A H 0.0862 0.0252 0.1801 0.101 Uiso 1 1 calc R . .
H7B H 0.0885 0.0077 0.2530 0.101 Uiso 1 1 calc R . .
C8 C 0.2426(3) 0.0950(3) 0.1777(3) 0.0535(11) Uani 1 1 d U . .
H8A H 0.2315 0.0689 0.1360 0.064 Uiso 1 1 calc R . .
C9 C 0.1896(3) 0.0814(3) 0.2275(3) 0.0592(12) Uani 1 1 d U . .
C10 C 0.2403(3) 0.1076(3) 0.2823(3) 0.0569(12) Uani 1 1 d U . .
C11 C 0.2268(4) 0.1081(4) 0.3484(3) 0.0757(16) Uani 1 1 d U . .
H11A H 0.1743 0.0887 0.3636 0.091 Uiso 1 1 calc R . .
C12 C 0.2914(5) 0.1371(4) 0.3885(3) 0.0848(18) Uani 1 1 d U . .
H12A H 0.2830 0.1370 0.4318 0.102 Uiso 1 1 calc R . .
C13 C 0.3705(5) 0.1673(4) 0.3670(3) 0.0778(16) Uani 1 1 d U . .
H13A H 0.4134 0.1872 0.3962 0.093 Uiso 1 1 calc R . .
C14 C 0.3862(4) 0.1681(3) 0.3038(3) 0.0605(12) Uani 1 1 d U . .
H14A H 0.4392 0.1880 0.2897 0.073 Uiso 1 1 calc R . .
C15 C 0.3209(3) 0.1384(3) 0.2611(2) 0.0477(10) Uani 1 1 d U . .
C16 C 0.0002(3) 0.2471(3) 0.0255(3) 0.0561(12) Uani 1 1 d U . .
C17 C -0.0792(4) 0.2079(4) 0.0342(3) 0.0744(15) Uani 1 1 d U . .
H17A H -0.1338 0.2335 0.0367 0.089 Uiso 1 1 calc R . .
C18 C -0.0616(4) 0.1247(5) 0.0384(4) 0.0903(19) Uani 1 1 d U . .
H18A H -0.1024 0.0824 0.0444 0.108 Uiso 1 1 calc R . .
C19 C 0.0281(4) 0.1138(4) 0.0321(3) 0.0765(16) Uani 1 1 d U . .
H19A H 0.0570 0.0623 0.0332 0.092 Uiso 1 1 calc R . .
C20 C 0.0195(3) 0.3323(3) 0.0163(3) 0.0642(13) Uani 1 1 d U . .
H20A H -0.0245 0.3722 0.0202 0.077 Uiso 1 1 calc R . .
C21 C 0.1176(5) 0.4475(4) 0.0023(4) 0.102(2) Uani 1 1 d U . .
H21A H 0.0662 0.4781 -0.0138 0.122 Uiso 1 1 calc R . .
H21B H 0.1309 0.4658 0.0455 0.122 Uiso 1 1 calc R . .
C22 C 0.1898(4) 0.4677(4) -0.0351(3) 0.0797(17) Uani 1 1 d U . .
H22A H 0.2097 0.5241 -0.0246 0.096 Uiso 1 1 calc R . .
H22B H 0.1699 0.4674 -0.0795 0.096 Uiso 1 1 calc R . .
C23 C 0.3077(3) 0.3839(3) 0.0303(2) 0.0536(11) Uani 1 1 d U . .
H23A H 0.3064 0.4170 0.0693 0.064 Uiso 1 1 calc R . .
C24 C 0.2655(3) 0.4086(3) -0.0259(3) 0.0605(13) Uani 1 1 d U . .
C25 C 0.3026(3) 0.3587(4) -0.0737(3) 0.0645(13) Uani 1 1 d U . .
C26 C 0.2897(4) 0.3549(5) -0.1400(3) 0.0866(19) Uani 1 1 d U . .
H26A H 0.2498 0.3904 -0.1613 0.104 Uiso 1 1 calc R . .
C27 C 0.3364(5) 0.2989(6) -0.1719(3) 0.103(2) Uani 1 1 d U . .
H27A H 0.3286 0.2961 -0.2158 0.123 Uiso 1 1 calc R . .
C28 C 0.3962(5) 0.2447(6) -0.1409(3) 0.101(2) Uani 1 1 d U . .
H28A H 0.4272 0.2069 -0.1648 0.121 Uiso 1 1 calc R . .
C29 C 0.4108(4) 0.2454(5) -0.0762(3) 0.0814(18) Uani 1 1 d U . .
H29A H 0.4500 0.2081 -0.0560 0.098 Uiso 1 1 calc R . .
C30 C 0.3646(3) 0.3043(4) -0.0421(2) 0.0597(12) Uani 1 1 d U . .
C31 C 0.2655(4) 0.3661(4) 0.3402(3) 0.0766(16) Uani 1 1 d U . .
H31A H 0.2730 0.4193 0.3187 0.092 Uiso 1 1 calc R . .
H31B H 0.3219 0.3378 0.3441 0.092 Uiso 1 1 calc R . .
C32 C 0.2298(5) 0.3795(5) 0.4037(3) 0.096(2) Uani 1 1 d U . .
H32A H 0.2566 0.3408 0.4345 0.115 Uiso 1 1 calc R . .
H32B H 0.2411 0.4364 0.4182 0.115 Uiso 1 1 calc R . .
C33 C 0.1369(5) 0.3644(6) 0.3956(3) 0.108(2) Uani 1 1 d U . .
H33A H 0.1054 0.4173 0.3935 0.129 Uiso 1 1 calc R . .
H33B H 0.1168 0.3326 0.4313 0.129 Uiso 1 1 calc R . .
C34 C 0.1205(4) 0.3179(5) 0.3377(3) 0.0943(19) Uani 1 1 d U . .
H34A H 0.1007 0.2616 0.3470 0.113 Uiso 1 1 calc R . .
H34B H 0.0753 0.3455 0.3111 0.113 Uiso 1 1 calc R . .
C35 C 0.2010(5) 0.1035(5) -0.1179(4) 0.111(2) Uani 1 1 d U . .
H35A H 0.2582 0.1082 -0.1359 0.133 Uiso 1 1 calc R . .
H35B H 0.2052 0.0625 -0.0839 0.133 Uiso 1 1 calc R . .
C36 C 0.1368(7) 0.0776(6) -0.1655(5) 0.141(3) Uani 1 1 d U . .
H36A H 0.1141 0.0226 -0.1556 0.170 Uiso 1 1 calc R . .
H36B H 0.1626 0.0749 -0.2065 0.170 Uiso 1 1 calc R . .
C37 C 0.0671(7) 0.1392(7) -0.1666(5) 0.146(3) Uani 1 1 d U . .
H37A H 0.0515 0.1558 -0.2099 0.176 Uiso 1 1 calc R . .
H37B H 0.0154 0.1159 -0.1482 0.176 Uiso 1 1 calc R . .
C38 C 0.0982(5) 0.2096(5) -0.1308(4) 0.097(2) Uani 1 1 d U . .
H38A H 0.0534 0.2292 -0.1034 0.117 Uiso 1 1 calc R . .
H38B H 0.1129 0.2551 -0.1589 0.117 Uiso 1 1 calc R . .
C39 C 0.6787(5) 0.1197(6) 0.0778(4) 0.115(3) Uani 1 1 d . . .
H39A H 0.7113 0.0715 0.0929 0.172 Uiso 1 1 calc R . .
H39B H 0.7175 0.1671 0.0761 0.172 Uiso 1 1 calc R . .
H39C H 0.6532 0.1085 0.0361 0.172 Uiso 1 1 calc R . .
C40 C 0.5119(4) 0.0538(5) 0.1256(4) 0.102(2) Uani 1 1 d . . .
H40A H 0.5424 0.0027 0.1365 0.152 Uiso 1 1 calc R . .
H40B H 0.4877 0.0503 0.0829 0.152 Uiso 1 1 calc R . .
H40C H 0.4654 0.0623 0.1540 0.152 Uiso 1 1 calc R . .
C41 C 0.6393(5) 0.1334(6) 0.2148(3) 0.112(3) Uani 1 1 d . . .
H41A H 0.6665 0.0793 0.2200 0.169 Uiso 1 1 calc R . .
H41B H 0.5942 0.1394 0.2446 0.169 Uiso 1 1 calc R . .
H41C H 0.6828 0.1764 0.2221 0.169 Uiso 1 1 calc R . .
C42 C 0.5312(4) 0.4241(4) 0.1238(4) 0.098(2) Uani 1 1 d . . .
H42A H 0.4754 0.4257 0.1006 0.147 Uiso 1 1 calc R . .
H42B H 0.5652 0.4723 0.1131 0.147 Uiso 1 1 calc R . .
H42C H 0.5221 0.4245 0.1684 0.147 Uiso 1 1 calc R . .
C43 C 0.7000(4) 0.3349(6) 0.1484(4) 0.123(3) Uani 1 1 d . . .
H43A H 0.6932 0.3189 0.1917 0.185 Uiso 1 1 calc R . .
H43B H 0.7210 0.3916 0.1469 0.185 Uiso 1 1 calc R . .
H43C H 0.7414 0.2981 0.1298 0.185 Uiso 1 1 calc R . .
C44 C 0.6132(5) 0.3391(6) 0.0176(3) 0.115(3) Uani 1 1 d . . .
H44A H 0.5586 0.3389 -0.0072 0.172 Uiso 1 1 calc R . .
H44B H 0.6492 0.2935 0.0046 0.172 Uiso 1 1 calc R . .
H44C H 0.6431 0.3913 0.0114 0.172 Uiso 1 1 calc R . .

loop_
_atom_site_aniso_label
_atom_site_aniso_U_11
_atom_site_aniso_U_22
_atom_site_aniso_U_33
_atom_site_aniso_U_23
_atom_site_aniso_U_13
_atom_site_aniso_U_12
Dy1 0.03027(10) 0.03800(11) 0.04389(12) -0.00143(8) 0.00683(8) -0.00207(7)
Dy2 0.02657(9) 0.05526(13) 0.03983(12) -0.00267(9) 0.00139(8) 0.00014(8)
Dy3 0.03186(10) 0.04726(12) 0.04211(12) -0.00154(8) -0.00378(8) -0.00123(8)
Cl1 0.0424(6) 0.0548(6) 0.0527(7) -0.0114(5) 0.0096(5) -0.0133(5)
Cl2 0.0546(7) 0.0612(7) 0.0573(7) -0.0147(6) -0.0064(6) 0.0141(6)
Si1 0.0339(7) 0.0965(11) 0.0531(9) -0.0050(8) -0.0005(6) 0.0102(7)
Si2 0.0416(8) 0.0995(13) 0.0691(10) -0.0139(9) 0.0128(7) -0.0258(8)
O1 0.0294(14) 0.0423(15) 0.0410(16) -0.0025(12) 0.0014(12) 0.0012(11)
O2 0.0510(19) 0.071(2) 0.052(2) -0.0143(16) 0.0139(15) -0.0027(16)
O3 0.066(2) 0.084(3) 0.055(2) -0.0167(19) -0.0117(18) 0.0030(19)
N1 0.0401(19) 0.045(2) 0.068(3) -0.0007(18) 0.0025(18) 0.0025(16)
N2 0.0351(19) 0.043(2) 0.099(3) 0.017(2) 0.005(2) -0.0079(16)
N3 0.0418(19) 0.0405(18) 0.052(2) -0.0026(16) 0.0035(17) 0.0034(15)
N4 0.043(2) 0.057(2) 0.063(3) 0.0010(19) 0.0006(18) -0.0097(18)
N5 0.044(2) 0.055(2) 0.109(4) 0.021(2) 0.002(2) 0.0054(19)
N6 0.040(2) 0.070(2) 0.045(2) 0.0081(19) -0.0028(17) -0.0128(18)
N7 0.0297(18) 0.078(3) 0.053(2) -0.010(2) 0.0051(17) -0.0028(17)
C1 0.038(2) 0.051(2) 0.063(3) -0.002(2) -0.003(2) 0.0023(19)
C2 0.046(3) 0.064(3) 0.120(4) -0.003(3) -0.010(3) 0.009(2)
C3 0.065(3) 0.052(3) 0.154(5) 0.000(3) -0.013(4) 0.015(3)
C4 0.058(3) 0.043(3) 0.117(4) 0.004(3) -0.006(3) 0.001(2)
C5 0.032(2) 0.056(3) 0.068(3) 0.001(2) 0.004(2) -0.0049(18)
C6 0.054(3) 0.061(3) 0.179(6) 0.032(4) 0.011(4) -0.015(3)
C7 0.051(3) 0.048(3) 0.154(5) 0.021(3) 0.011(3) -0.010(2)
C8 0.052(3) 0.035(2) 0.073(3) -0.001(2) 0.001(2) -0.0017(19)
C9 0.047(2) 0.038(2) 0.093(3) 0.013(2) 0.005(2) -0.0012(19)
C10 0.056(3) 0.046(2) 0.070(3) 0.020(2) 0.023(2) 0.014(2)
C11 0.082(4) 0.072(3) 0.077(4) 0.028(3) 0.032(3) 0.023(3)
C12 0.110(5) 0.087(4) 0.059(3) 0.021(3) 0.025(3) 0.032(4)
C13 0.094(4) 0.083(4) 0.056(3) 0.009(3) -0.004(3) 0.018(3)
C14 0.059(3) 0.063(3) 0.058(3) 0.009(2) 0.000(2) 0.009(2)
C15 0.046(2) 0.045(2) 0.053(3) 0.0097(19) 0.008(2) 0.0121(18)
C16 0.039(2) 0.070(3) 0.059(3) 0.001(2) -0.002(2) -0.007(2)
C17 0.044(3) 0.089(4) 0.091(4) -0.002(3) 0.009(3) -0.015(3)
C18 0.062(3) 0.091(4) 0.119(5) 0.002(4) 0.017(3) -0.033(3)
C19 0.066(3) 0.065(3) 0.099(4) 0.000(3) 0.009(3) -0.018(3)
C20 0.042(2) 0.063(3) 0.087(4) 0.013(3) 0.001(2) 0.012(2)
C21 0.078(4) 0.065(3) 0.163(6) 0.026(4) 0.010(4) 0.012(3)
C22 0.067(3) 0.058(3) 0.113(4) 0.030(3) -0.009(3) -0.006(3)
C23 0.051(3) 0.057(3) 0.051(3) 0.007(2) -0.003(2) -0.016(2)
C24 0.051(3) 0.061(3) 0.069(3) 0.021(2) -0.005(2) -0.015(2)
C25 0.041(2) 0.100(4) 0.051(3) 0.021(3) 0.000(2) -0.018(2)
C26 0.055(3) 0.152(5) 0.052(3) 0.026(3) -0.002(3) -0.018(3)
C27 0.067(4) 0.191(6) 0.051(3) 0.008(4) 0.009(3) -0.007(4)
C28 0.057(3) 0.186(6) 0.062(4) -0.013(4) 0.024(3) 0.005(4)
C29 0.040(3) 0.154(5) 0.052(3) -0.002(3) 0.009(2) 0.013(3)
C30 0.035(2) 0.097(3) 0.047(3) 0.009(2) 0.004(2) -0.015(2)
C31 0.087(4) 0.082(4) 0.062(3) -0.021(3) 0.018(3) -0.020(3)
C32 0.100(4) 0.120(5) 0.070(4) -0.034(3) 0.029(3) -0.024(4)
C33 0.090(4) 0.159(6) 0.076(4) -0.033(4) 0.018(4) 0.014(4)
C34 0.070(4) 0.140(5) 0.074(4) -0.030(4) 0.024(3) -0.002(4)
C35 0.116(5) 0.109(5) 0.103(5) -0.050(4) -0.029(4) 0.018(4)
C36 0.162(6) 0.122(6) 0.133(6) -0.047(5) -0.059(5) 0.006(5)
C37 0.133(6) 0.149(6) 0.150(6) -0.037(5) -0.066(5) -0.004(5)
C38 0.094(4) 0.116(5) 0.078(4) -0.013(4) -0.035(3) 0.013(4)
C39 0.102(6) 0.136(7) 0.110(6) 0.005(5) 0.045(5) 0.047(5)
C40 0.067(4) 0.090(5) 0.146(7) 0.000(5) -0.018(4) 0.014(4)
C41 0.103(6) 0.154(8) 0.078(5) 0.003(5) -0.026(4) 0.018(5)
C42 0.080(5) 0.086(5) 0.130(6) -0.006(4) 0.025(4) -0.034(4)
C43 0.061(4) 0.167(9) 0.139(7) -0.009(6) -0.016(4) -0.043(5)
C44 0.112(6) 0.145(8) 0.090(5) -0.002(5) 0.037(5) -0.055(6)

_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
Dy1 O1 2.123(3) . ?
Dy1 N1 2.361(4) . ?
Dy1 O2 2.403(3) . ?
Dy1 N2 2.433(4) . ?
Dy1 C8 2.668(5) . ?
Dy1 N3 2.682(4) . ?
Dy1 Cl1 2.7801(11) . ?
Dy1 C9 2.814(5) . ?
Dy1 C15 2.847(4) . ?
Dy1 C10 2.938(5) . ?
Dy1 Dy2 3.5028(3) . ?
Dy2 N7 2.260(4) . ?
Dy2 O1 2.281(3) . ?
Dy2 N6 2.462(4) . ?
Dy2 N3 2.490(4) . ?
Dy2 Cl1 2.7084(11) . ?
Dy2 Cl2 2.7463(12) . ?
Dy2 Si1 3.3364(14) . ?
Dy2 Dy3 3.4710(3) . ?
Dy3 O1 2.097(3) . ?
Dy3 N4 2.379(4) . ?
Dy3 N5 2.406(4) . ?
Dy3 O3 2.433(3) . ?
Dy3 N6 2.654(4) . ?
Dy3 C23 2.672(5) . ?
Dy3 Cl2 2.7989(12) . ?
Dy3 C24 2.814(5) . ?
Dy3 C30 2.821(5) . ?
Dy3 C25 2.916(5) . ?
Si1 N7 1.698(5) . ?
Si1 C40 1.854(7) . ?
Si1 C39 1.864(6) . ?
Si1 C41 1.864(7) . ?
Si2 N7 1.732(5) . ?
Si2 C42 1.860(7) . ?
Si2 C44 1.863(7) . ?
Si2 C43 1.878(7) . ?
O2 C34 1.439(7) . ?
O2 C31 1.443(6) . ?
O3 C38 1.432(7) . ?
O3 C35 1.436(8) . ?
N1 C4 1.347(6) . ?
N1 C1 1.385(6) . ?
N2 C5 1.289(6) . ?
N2 C6 1.466(7) . ?
N3 C15 1.381(6) . ?
N3 C8 1.387(6) . ?
N4 C19 1.345(7) . ?
N4 C16 1.380(7) . ?
N5 C20 1.286(6) . ?
N5 C21 1.487(8) . ?
N6 C23 1.387(7) . ?
N6 C30 1.391(6) . ?
C1 C2 1.389(7) . ?
C1 C5 1.405(6) . ?
C2 C3 1.379(8) . ?
C2 H2A 0.9300 . ?
C3 C4 1.377(8) . ?
C3 H3A 0.9300 . ?
C4 H4A 0.9300 . ?
C5 H5A 0.9300 . ?
C6 C7 1.389(8) . ?
C6 H6A 0.9700 . ?
C6 H6B 0.9700 . ?
C7 C9 1.507(7) . ?
C7 H7A 0.9700 . ?
C7 H7B 0.9700 . ?
C8 C9 1.376(7) . ?
C8 H8A 0.9800 . ?
C9 C10 1.421(8) . ?
C10 C15 1.416(7) . ?
C10 C11 1.421(8) . ?
C11 C12 1.348(9) . ?
C11 H11A 0.9300 . ?
C12 C13 1.396(9) . ?
C12 H12A 0.9300 . ?
C13 C14 1.369(8) . ?
C13 H13A 0.9300 . ?
C14 C15 1.392(7) . ?
C14 H14A 0.9300 . ?
C16 C17 1.382(7) . ?
C16 C20 1.405(7) . ?
C17 C18 1.354(9) . ?
C17 H17A 0.9300 . ?
C18 C19 1.392(8) . ?
C18 H18A 0.9300 . ?
C19 H19A 0.9300 . ?
C20 H20A 0.9300 . ?
C21 C22 1.423(9) . ?
C21 H21A 0.9700 . ?
C21 H21B 0.9700 . ?
C22 C24 1.494(8) . ?
C22 H22A 0.9700 . ?
C22 H22B 0.9700 . ?
C23 C24 1.378(7) . ?
C23 H23A 0.9800 . ?
C24 C25 1.425(8) . ?
C25 C26 1.405(8) . ?
C25 C30 1.424(8) . ?
C26 C27 1.344(11) . ?
C26 H26A 0.9300 . ?
C27 C28 1.394(11) . ?
C27 H27A 0.9300 . ?
C28 C29 1.373(9) . ?
C28 H28A 0.9300 . ?
C29 C30 1.396(8) . ?
C29 H29A 0.9300 . ?
C31 C32 1.490(8) . ?
C31 H31A 0.9700 . ?
C31 H31B 0.9700 . ?
C32 C33 1.438(9) . ?
C32 H32A 0.9700 . ?
C32 H32B 0.9700 . ?
C33 C34 1.442(9) . ?
C33 H33A 0.9700 . ?
C33 H33B 0.9700 . ?
C34 H34A 0.9700 . ?
C34 H34B 0.9700 . ?
C35 C36 1.428(9) . ?
C35 H35A 0.9700 . ?
C35 H35B 0.9700 . ?
C36 C37 1.446(12) . ?
C36 H36A 0.9700 . ?
C36 H36B 0.9700 . ?
C37 C38 1.420(10) . ?
C37 H37A 0.9700 . ?
C37 H37B 0.9700 . ?
C38 H38A 0.9700 . ?
C38 H38B 0.9700 . ?
C39 H39A 0.9600 . ?
C39 H39B 0.9600 . ?
C39 H39C 0.9600 . ?
C40 H40A 0.9600 . ?
C40 H40B 0.9600 . ?
C40 H40C 0.9600 . ?
C41 H41A 0.9600 . ?
C41 H41B 0.9600 . ?
C41 H41C 0.9600 . ?
C42 H42A 0.9600 . ?
C42 H42B 0.9600 . ?
C42 H42C 0.9600 . ?
C43 H43A 0.9600 . ?
C43 H43B 0.9600 . ?
C43 H43C 0.9600 . ?
C44 H44A 0.9600 . ?
C44 H44B 0.9600 . ?
C44 H44C 0.9600 . ?

loop_
_geom_angle_atom_site_label_1
_geom_angle_atom_site_label_2
_geom_angle_atom_site_label_3
_geom_angle
_geom_angle_site_symmetry_1
_geom_angle_site_symmetry_3
_geom_angle_publ_flag
O1 Dy1 N1 94.74(13) . . ?
O1 Dy1 O2 152.79(11) . . ?
N1 Dy1 O2 81.23(13) . . ?
O1 Dy1 N2 110.31(14) . . ?
N1 Dy1 N2 69.86(13) . . ?
O2 Dy1 N2 93.66(14) . . ?
O1 Dy1 C8 73.07(14) . . ?
N1 Dy1 C8 144.51(14) . . ?
O2 Dy1 C8 124.26(15) . . ?
N2 Dy1 C8 83.09(14) . . ?
O1 Dy1 N3 72.82(11) . . ?
N1 Dy1 N3 167.32(13) . . ?
O2 Dy1 N3 110.94(12) . . ?
N2 Dy1 N3 111.54(12) . . ?
C8 Dy1 N3 30.05(12) . . ?
O1 Dy1 Cl1 75.55(8) . . ?
N1 Dy1 Cl1 104.36(10) . . ?
O2 Dy1 Cl1 79.41(8) . . ?
N2 Dy1 Cl1 171.74(11) . . ?
C8 Dy1 Cl1 104.49(11) . . ?
N3 Dy1 Cl1 75.44(8) . . ?
O1 Dy1 C9 100.09(14) . . ?
N1 Dy1 C9 133.34(14) . . ?
O2 Dy1 C9 102.13(15) . . ?
N2 Dy1 C9 63.48(14) . . ?
C8 Dy1 C9 28.92(15) . . ?
N3 Dy1 C9 49.56(13) . . ?
Cl1 Dy1 C9 122.13(10) . . ?
O1 Dy1 C15 100.85(12) . . ?
N1 Dy1 C15 163.95(14) . . ?
O2 Dy1 C15 83.14(13) . . ?
N2 Dy1 C15 107.65(13) . . ?
C8 Dy1 C15 46.62(15) . . ?
N3 Dy1 C15 28.73(12) . . ?
Cl1 Dy1 C15 76.18(10) . . ?
C9 Dy1 C15 47.43(14) . . ?
O1 Dy1 C10 117.54(12) . . ?
N1 Dy1 C10 142.16(14) . . ?
O2 Dy1 C10 78.13(14) . . ?
N2 Dy1 C10 80.15(14) . . ?
C8 Dy1 C10 46.38(16) . . ?
N3 Dy1 C10 47.97(12) . . ?
Cl1 Dy1 C10 102.57(11) . . ?
C9 Dy1 C10 28.50(15) . . ?
C15 Dy1 C10 28.29(13) . . ?
O1 Dy1 Dy2 38.91(8) . . ?
N1 Dy1 Dy2 125.26(10) . . ?
O2 Dy1 Dy2 124.81(8) . . ?
N2 Dy1 Dy2 138.65(11) . . ?
C8 Dy1 Dy2 63.75(11) . . ?
N3 Dy1 Dy2 45.10(8) . . ?
Cl1 Dy1 Dy2 49.44(2) . . ?
C9 Dy1 Dy2 91.28(11) . . ?
C15 Dy1 Dy2 67.56(9) . . ?
C10 Dy1 Dy2 92.50(9) . . ?
N7 Dy2 O1 164.18(13) . . ?
N7 Dy2 N6 94.24(14) . . ?
O1 Dy2 N6 74.50(12) . . ?
N7 Dy2 N3 117.28(14) . . ?
O1 Dy2 N3 74.34(11) . . ?
N6 Dy2 N3 148.46(12) . . ?
N7 Dy2 Cl1 95.99(11) . . ?
O1 Dy2 Cl1 74.76(7) . . ?
N6 Dy2 Cl1 96.51(11) . . ?
N3 Dy2 Cl1 79.90(9) . . ?
N7 Dy2 Cl2 114.05(11) . . ?
O1 Dy2 Cl2 75.46(7) . . ?
N6 Dy2 Cl2 79.77(10) . . ?
N3 Dy2 Cl2 87.85(9) . . ?
Cl1 Dy2 Cl2 149.88(4) . . ?
N7 Dy2 Si1 27.68(12) . . ?
O1 Dy2 Si1 168.11(7) . . ?
N6 Dy2 Si1 114.38(10) . . ?
N3 Dy2 Si1 95.88(9) . . ?
Cl1 Dy2 Si1 110.71(4) . . ?
Cl2 Dy2 Si1 97.77(4) . . ?
N7 Dy2 Dy3 140.31(11) . . ?
O1 Dy2 Dy3 35.74(7) . . ?
N6 Dy2 Dy3 49.65(8) . . ?
N3 Dy2 Dy3 100.28(8) . . ?
Cl1 Dy2 Dy3 103.16(3) . . ?
Cl2 Dy2 Dy3 51.93(3) . . ?
Si1 Dy2 Dy3 144.50(3) . . ?
N7 Dy2 Dy1 143.55(11) . . ?
O1 Dy2 Dy1 35.77(7) . . ?
N6 Dy2 Dy1 103.95(10) . . ?
N3 Dy2 Dy1 49.72(8) . . ?
Cl1 Dy2 Dy1 51.25(2) . . ?
Cl2 Dy2 Dy1 100.27(3) . . ?
Si1 Dy2 Dy1 139.89(3) . . ?
Dy3 Dy2 Dy1 71.455(8) . . ?
O1 Dy3 N4 92.40(13) . . ?
O1 Dy3 N5 100.40(15) . . ?
N4 Dy3 N5 70.24(14) . . ?
O1 Dy3 O3 155.37(12) . . ?
N4 Dy3 O3 78.90(14) . . ?
N5 Dy3 O3 98.24(16) . . ?
O1 Dy3 N6 73.40(11) . . ?
N4 Dy3 N6 165.66(13) . . ?
N5 Dy3 N6 109.68(14) . . ?
O3 Dy3 N6 114.89(13) . . ?
O1 Dy3 C23 73.69(13) . . ?
N4 Dy3 C23 144.19(16) . . ?
N5 Dy3 C23 79.86(16) . . ?
O3 Dy3 C23 125.75(15) . . ?
N6 Dy3 C23 30.18(14) . . ?
O1 Dy3 Cl2 77.04(8) . . ?
N4 Dy3 Cl2 103.56(11) . . ?
N5 Dy3 Cl2 173.33(11) . . ?
O3 Dy3 Cl2 82.63(10) . . ?
N6 Dy3 Cl2 75.67(10) . . ?
C23 Dy3 Cl2 105.05(12) . . ?
O1 Dy3 C24 100.66(14) . . ?
N4 Dy3 C24 134.12(15) . . ?
N5 Dy3 C24 64.22(15) . . ?
O3 Dy3 C24 101.89(16) . . ?
N6 Dy3 C24 49.81(14) . . ?
C23 Dy3 C24 28.95(14) . . ?
Cl2 Dy3 C24 122.16(12) . . ?
O1 Dy3 C30 101.90(13) . . ?
N4 Dy3 C30 164.99(15) . . ?
N5 Dy3 C30 110.96(16) . . ?
O3 Dy3 C30 86.16(15) . . ?
N6 Dy3 C30 29.24(13) . . ?
C23 Dy3 C30 47.09(17) . . ?
Cl2 Dy3 C30 75.67(13) . . ?
C24 Dy3 C30 47.79(17) . . ?
O1 Dy3 C25 118.74(13) . . ?
N4 Dy3 C25 143.27(14) . . ?
N5 Dy3 C25 84.44(16) . . ?
O3 Dy3 C25 78.93(16) . . ?
N6 Dy3 C25 48.66(13) . . ?
C23 Dy3 C25 46.82(16) . . ?
Cl2 Dy3 C25 102.20(13) . . ?
C24 Dy3 C25 28.73(17) . . ?
C30 Dy3 C25 28.67(15) . . ?
O1 Dy3 Dy2 39.44(8) . . ?
N4 Dy3 Dy2 123.57(10) . . ?
N5 Dy3 Dy2 130.41(13) . . ?
O3 Dy3 Dy2 129.93(9) . . ?
N6 Dy3 Dy2 44.98(8) . . ?
C23 Dy3 Dy2 63.83(11) . . ?
Cl2 Dy3 Dy2 50.57(3) . . ?
C24 Dy3 Dy2 91.41(10) . . ?
C30 Dy3 Dy2 67.83(10) . . ?
C25 Dy3 Dy2 93.06(10) . . ?
Dy2 Cl1 Dy1 79.31(3) . . ?
Dy2 Cl2 Dy3 77.50(3) . . ?
N7 Si1 C40 110.1(2) . . ?
N7 Si1 C39 115.2(3) . . ?
C40 Si1 C39 106.2(4) . . ?
N7 Si1 C41 113.9(3) . . ?
C40 Si1 C41 103.7(4) . . ?
C39 Si1 C41 106.8(4) . . ?
N7 Si1 Dy2 38.18(13) . . ?
C40 Si1 Dy2 72.5(2) . . ?
C39 Si1 Dy2 134.5(3) . . ?
C41 Si1 Dy2 117.8(3) . . ?
N7 Si2 C42 114.3(2) . . ?
N7 Si2 C44 112.6(3) . . ?
C42 Si2 C44 104.9(4) . . ?
N7 Si2 C43 112.8(3) . . ?
C42 Si2 C43 104.8(4) . . ?
C44 Si2 C43 106.7(4) . . ?
Dy3 O1 Dy1 149.55(15) . . ?
Dy3 O1 Dy2 104.81(12) . . ?
Dy1 O1 Dy2 105.32(12) . . ?
C34 O2 C31 108.4(4) . . ?
C34 O2 Dy1 118.7(3) . . ?
C31 O2 Dy1 131.5(3) . . ?
C38 O3 C35 107.4(5) . . ?
C38 O3 Dy3 119.1(4) . . ?
C35 O3 Dy3 130.2(4) . . ?
C4 N1 C1 105.5(4) . . ?
C4 N1 Dy1 139.6(3) . . ?
C1 N1 Dy1 114.7(3) . . ?
C5 N2 C6 118.5(4) . . ?
C5 N2 Dy1 115.0(3) . . ?
C6 N2 Dy1 126.5(3) . . ?
C15 N3 C8 104.5(4) . . ?
C15 N3 Dy2 132.6(3) . . ?
C8 N3 Dy2 115.7(3) . . ?
C15 N3 Dy1 82.3(2) . . ?
C8 N3 Dy1 74.4(2) . . ?
Dy2 N3 Dy1 85.18(11) . . ?
C19 N4 C16 105.6(4) . . ?
C19 N4 Dy3 140.8(4) . . ?
C16 N4 Dy3 113.6(3) . . ?
C20 N5 C21 119.2(5) . . ?
C20 N5 Dy3 114.9(3) . . ?
C21 N5 Dy3 123.4(4) . . ?
C23 N6 C30 104.6(4) . . ?
C23 N6 Dy2 116.3(3) . . ?
C30 N6 Dy2 132.4(4) . . ?
C23 N6 Dy3 75.6(2) . . ?
C30 N6 Dy3 82.1(2) . . ?
Dy2 N6 Dy3 85.37(12) . . ?
Si1 N7 Si2 121.7(2) . . ?
Si1 N7 Dy2 114.1(2) . . ?
Si2 N7 Dy2 124.0(2) . . ?
N1 C1 C2 109.9(4) . . ?
N1 C1 C5 119.4(4) . . ?
C2 C1 C5 130.5(5) . . ?
C3 C2 C1 106.3(5) . . ?
C3 C2 H2A 126.9 . . ?
C1 C2 H2A 126.9 . . ?
C4 C3 C2 107.2(5) . . ?
C4 C3 H3A 126.4 . . ?
C2 C3 H3A 126.4 . . ?
N1 C4 C3 111.1(5) . . ?
N1 C4 H4A 124.5 . . ?
C3 C4 H4A 124.5 . . ?
N2 C5 C1 120.7(4) . . ?
N2 C5 H5A 119.7 . . ?
C1 C5 H5A 119.7 . . ?
C7 C6 N2 115.5(5) . . ?
C7 C6 H6A 108.4 . . ?
N2 C6 H6A 108.4 . . ?
C7 C6 H6B 108.4 . . ?
N2 C6 H6B 108.4 . . ?
H6A C6 H6B 107.5 . . ?
C6 C7 C9 116.3(5) . . ?
C6 C7 H7A 108.2 . . ?
C9 C7 H7A 108.2 . . ?
C6 C7 H7B 108.2 . . ?
C9 C7 H7B 108.2 . . ?
H7A C7 H7B 107.4 . . ?
C9 C8 N3 113.2(5) . . ?
C9 C8 Dy1 81.4(3) . . ?
N3 C8 Dy1 75.5(2) . . ?
C9 C8 H8A 122.7 . . ?
N3 C8 H8A 122.7 . . ?
Dy1 C8 H8A 122.7 . . ?
C8 C9 C10 105.1(4) . . ?
C8 C9 C7 125.1(6) . . ?
C10 C9 C7 129.6(6) . . ?
C8 C9 Dy1 69.7(3) . . ?
C10 C9 Dy1 80.6(3) . . ?
C7 C9 Dy1 111.3(3) . . ?
C15 C10 C11 118.7(6) . . ?
C15 C10 C9 106.7(5) . . ?
C11 C10 C9 134.5(5) . . ?
C15 C10 Dy1 72.3(2) . . ?
C11 C10 Dy1 122.1(3) . . ?
C9 C10 Dy1 70.9(3) . . ?
C12 C11 C10 118.8(6) . . ?
C12 C11 H11A 120.6 . . ?
C10 C11 H11A 120.6 . . ?
C11 C12 C13 122.0(6) . . ?
C11 C12 H12A 119.0 . . ?
C13 C12 H12A 119.0 . . ?
C14 C13 C12 121.1(6) . . ?
C14 C13 H13A 119.5 . . ?
C12 C13 H13A 119.5 . . ?
C13 C14 C15 118.4(6) . . ?
C13 C14 H14A 120.8 . . ?
C15 C14 H14A 120.8 . . ?
N3 C15 C14 128.6(4) . . ?
N3 C15 C10 110.3(4) . . ?
C14 C15 C10 121.0(5) . . ?
N3 C15 Dy1 69.0(2) . . ?
C14 C15 Dy1 119.3(3) . . ?
C10 C15 Dy1 79.4(3) . . ?
N4 C16 C17 110.3(5) . . ?
N4 C16 C20 119.4(4) . . ?
C17 C16 C20 130.3(5) . . ?
C18 C17 C16 106.3(5) . . ?
C18 C17 H17A 126.9 . . ?
C16 C17 H17A 126.9 . . ?
C17 C18 C19 108.0(5) . . ?
C17 C18 H18A 126.0 . . ?
C19 C18 H18A 126.0 . . ?
N4 C19 C18 109.9(6) . . ?
N4 C19 H19A 125.1 . . ?
C18 C19 H19A 125.1 . . ?
N5 C20 C16 121.3(5) . . ?
N5 C20 H20A 119.4 . . ?
C16 C20 H20A 119.4 . . ?
C22 C21 N5 113.2(6) . . ?
C22 C21 H21A 108.9 . . ?
N5 C21 H21A 108.9 . . ?
C22 C21 H21B 108.9 . . ?
N5 C21 H21B 108.9 . . ?
H21A C21 H21B 107.8 . . ?
C21 C22 C24 113.5(5) . . ?
C21 C22 H22A 108.9 . . ?
C24 C22 H22A 108.9 . . ?
C21 C22 H22B 108.9 . . ?
C24 C22 H22B 108.9 . . ?
H22A C22 H22B 107.7 . . ?
C24 C23 N6 113.1(5) . . ?
C24 C23 Dy3 81.3(3) . . ?
N6 C23 Dy3 74.2(3) . . ?
C24 C23 H23A 122.8 . . ?
N6 C23 H23A 122.8 . . ?
Dy3 C23 H23A 122.8 . . ?
C23 C24 C25 105.5(5) . . ?
C23 C24 C22 128.0(6) . . ?
C25 C24 C22 126.2(5) . . ?
C23 C24 Dy3 69.8(3) . . ?
C25 C24 Dy3 79.6(3) . . ?
C22 C24 Dy3 110.8(3) . . ?
C26 C25 C30 119.8(6) . . ?
C26 C25 C24 133.6(6) . . ?
C30 C25 C24 106.5(5) . . ?
C26 C25 Dy3 121.5(4) . . ?
C30 C25 Dy3 71.9(3) . . ?
C24 C25 Dy3 71.7(3) . . ?
C27 C26 C25 118.5(7) . . ?
C27 C26 H26A 120.7 . . ?
C25 C26 H26A 120.7 . . ?
C26 C27 C28 121.7(7) . . ?
C26 C27 H27A 119.2 . . ?
C28 C27 H27A 119.2 . . ?
C29 C28 C27 122.2(7) . . ?
C29 C28 H28A 118.9 . . ?
C27 C28 H28A 118.9 . . ?
C28 C29 C30 117.3(6) . . ?
C28 C29 H29A 121.4 . . ?
C30 C29 H29A 121.4 . . ?
N6 C30 C29 129.4(5) . . ?
N6 C30 C25 110.1(5) . . ?
C29 C30 C25 120.5(5) . . ?
N6 C30 Dy3 68.7(2) . . ?
C29 C30 Dy3 116.5(4) . . ?
C25 C30 Dy3 79.4(3) . . ?
O2 C31 C32 105.6(5) . . ?
O2 C31 H31A 110.6 . . ?
C32 C31 H31A 110.6 . . ?
O2 C31 H31B 110.6 . . ?
C32 C31 H31B 110.6 . . ?
H31A C31 H31B 108.8 . . ?
C33 C32 C31 105.7(6) . . ?
C33 C32 H32A 110.6 . . ?
C31 C32 H32A 110.6 . . ?
C33 C32 H32B 110.6 . . ?
C31 C32 H32B 110.6 . . ?
H32A C32 H32B 108.7 . . ?
C32 C33 C34 108.3(6) . . ?
C32 C33 H33A 110.0 . . ?
C34 C33 H33A 110.0 . . ?
C32 C33 H33B 110.0 . . ?
C34 C33 H33B 110.0 . . ?
H33A C33 H33B 108.4 . . ?
O2 C34 C33 107.6(6) . . ?
O2 C34 H34A 110.2 . . ?
C33 C34 H34A 110.2 . . ?
O2 C34 H34B 110.2 . . ?
C33 C34 H34B 110.2 . . ?
H34A C34 H34B 108.5 . . ?
C36 C35 O3 108.2(7) . . ?
C36 C35 H35A 110.1 . . ?
O3 C35 H35A 110.1 . . ?
C36 C35 H35B 110.1 . . ?
O3 C35 H35B 110.1 . . ?
H35A C35 H35B 108.4 . . ?
C35 C36 C37 106.9(7) . . ?
C35 C36 H36A 110.3 . . ?
C37 C36 H36A 110.3 . . ?
C35 C36 H36B 110.3 . . ?
C37 C36 H36B 110.3 . . ?
H36A C36 H36B 108.6 . . ?
C38 C37 C36 107.7(7) . . ?
C38 C37 H37A 110.2 . . ?
C36 C37 H37A 110.2 . . ?
C38 C37 H37B 110.2 . . ?
C36 C37 H37B 110.2 . . ?
H37A C37 H37B 108.5 . . ?
C37 C38 O3 107.4(7) . . ?
C37 C38 H38A 110.2 . . ?
O3 C38 H38A 110.2 . . ?
C37 C38 H38B 110.2 . . ?
O3 C38 H38B 110.2 . . ?
H38A C38 H38B 108.5 . . ?
Si1 C39 H39A 109.5 . . ?
Si1 C39 H39B 109.5 . . ?
H39A C39 H39B 109.5 . . ?
Si1 C39 H39C 109.5 . . ?
H39A C39 H39C 109.5 . . ?
H39B C39 H39C 109.5 . . ?
Si1 C40 H40A 109.5 . . ?
Si1 C40 H40B 109.5 . . ?
H40A C40 H40B 109.5 . . ?
Si1 C40 H40C 109.5 . . ?
H40A C40 H40C 109.5 . . ?
H40B C40 H40C 109.5 . . ?
Si1 C41 H41A 109.5 . . ?
Si1 C41 H41B 109.5 . . ?
H41A C41 H41B 109.5 . . ?
Si1 C41 H41C 109.5 . . ?
H41A C41 H41C 109.5 . . ?
H41B C41 H41C 109.5 . . ?
Si2 C42 H42A 109.5 . . ?
Si2 C42 H42B 109.5 . . ?
H42A C42 H42B 109.5 . . ?
Si2 C42 H42C 109.5 . . ?
H42A C42 H42C 109.5 . . ?
H42B C42 H42C 109.5 . . ?
Si2 C43 H43A 109.5 . . ?
Si2 C43 H43B 109.5 . . ?
H43A C43 H43B 109.5 . . ?
Si2 C43 H43C 109.5 . . ?
H43A C43 H43C 109.5 . . ?
H43B C43 H43C 109.5 . . ?
Si2 C44 H44A 109.5 . . ?
Si2 C44 H44B 109.5 . . ?
H44A C44 H44B 109.5 . . ?
Si2 C44 H44C 109.5 . . ?
H44A C44 H44C 109.5 . . ?
H44B C44 H44C 109.5 . . ?

loop_
_geom_torsion_atom_site_label_1
_geom_torsion_atom_site_label_2
_geom_torsion_atom_site_label_3
_geom_torsion_atom_site_label_4
_geom_torsion
_geom_torsion_site_symmetry_1
_geom_torsion_site_symmetry_2
_geom_torsion_site_symmetry_3
_geom_torsion_site_symmetry_4
_geom_torsion_publ_flag
O1 Dy1 Dy2 N7 153.0(2) . . . . ?
N1 Dy1 Dy2 N7 108.7(2) . . . . ?
O2 Dy1 Dy2 N7 3.3(2) . . . . ?
N2 Dy1 Dy2 N7 -151.8(2) . . . . ?
C8 Dy1 Dy2 N7 -111.6(2) . . . . ?
N3 Dy1 Dy2 N7 -82.2(2) . . . . ?
Cl1 Dy1 Dy2 N7 30.51(19) . . . . ?
C9 Dy1 Dy2 N7 -102.4(2) . . . . ?
C15 Dy1 Dy2 N7 -60.3(2) . . . . ?
C10 Dy1 Dy2 N7 -73.9(2) . . . . ?
N1 Dy1 Dy2 O1 -44.36(16) . . . . ?
O2 Dy1 Dy2 O1 -149.68(16) . . . . ?
N2 Dy1 Dy2 O1 55.15(19) . . . . ?
C8 Dy1 Dy2 O1 95.39(17) . . . . ?
N3 Dy1 Dy2 O1 124.81(16) . . . . ?
Cl1 Dy1 Dy2 O1 -122.51(12) . . . . ?
C9 Dy1 Dy2 O1 104.57(17) . . . . ?
C15 Dy1 Dy2 O1 146.72(16) . . . . ?
C10 Dy1 Dy2 O1 133.06(16) . . . . ?
O1 Dy1 Dy2 N6 35.35(15) . . . . ?
N1 Dy1 Dy2 N6 -9.01(15) . . . . ?
O2 Dy1 Dy2 N6 -114.33(15) . . . . ?
N2 Dy1 Dy2 N6 90.50(18) . . . . ?
C8 Dy1 Dy2 N6 130.74(16) . . . . ?
N3 Dy1 Dy2 N6 160.16(15) . . . . ?
Cl1 Dy1 Dy2 N6 -87.16(10) . . . . ?
C9 Dy1 Dy2 N6 139.91(15) . . . . ?
C15 Dy1 Dy2 N6 -177.93(15) . . . . ?
C10 Dy1 Dy2 N6 168.41(15) . . . . ?
O1 Dy1 Dy2 N3 -124.81(16) . . . . ?
N1 Dy1 Dy2 N3 -169.17(16) . . . . ?
O2 Dy1 Dy2 N3 85.51(16) . . . . ?
N2 Dy1 Dy2 N3 -69.66(19) . . . . ?
C8 Dy1 Dy2 N3 -29.42(16) . . . . ?
Cl1 Dy1 Dy2 N3 112.68(12) . . . . ?
C9 Dy1 Dy2 N3 -20.25(16) . . . . ?
C15 Dy1 Dy2 N3 21.91(15) . . . . ?
C10 Dy1 Dy2 N3 8.25(16) . . . . ?
O1 Dy1 Dy2 Cl1 122.51(12) . . . . ?
N1 Dy1 Dy2 Cl1 78.15(12) . . . . ?
O2 Dy1 Dy2 Cl1 -27.16(11) . . . . ?
N2 Dy1 Dy2 Cl1 177.66(15) . . . . ?
C8 Dy1 Dy2 Cl1 -142.10(13) . . . . ?
N3 Dy1 Dy2 Cl1 -112.68(12) . . . . ?
C9 Dy1 Dy2 Cl1 -132.92(12) . . . . ?
C15 Dy1 Dy2 Cl1 -90.77(11) . . . . ?
C10 Dy1 Dy2 Cl1 -104.43(12) . . . . ?
O1 Dy1 Dy2 Cl2 -46.55(12) . . . . ?
N1 Dy1 Dy2 Cl2 -90.90(12) . . . . ?
O2 Dy1 Dy2 Cl2 163.78(11) . . . . ?
N2 Dy1 Dy2 Cl2 8.61(15) . . . . ?
C8 Dy1 Dy2 Cl2 48.84(13) . . . . ?
N3 Dy1 Dy2 Cl2 78.27(12) . . . . ?
Cl1 Dy1 Dy2 Cl2 -169.06(5) . . . . ?
C9 Dy1 Dy2 Cl2 58.02(12) . . . . ?
C15 Dy1 Dy2 Cl2 100.18(11) . . . . ?
C10 Dy1 Dy2 Cl2 86.51(12) . . . . ?
O1 Dy1 Dy2 Si1 -161.91(12) . . . . ?
N1 Dy1 Dy2 Si1 153.73(13) . . . . ?
O2 Dy1 Dy2 Si1 48.41(12) . . . . ?
N2 Dy1 Dy2 Si1 -106.76(16) . . . . ?
C8 Dy1 Dy2 Si1 -66.52(14) . . . . ?
N3 Dy1 Dy2 Si1 -37.10(12) . . . . ?
Cl1 Dy1 Dy2 Si1 75.58(6) . . . . ?
C9 Dy1 Dy2 Si1 -57.35(13) . . . . ?
C15 Dy1 Dy2 Si1 -15.19(12) . . . . ?
C10 Dy1 Dy2 Si1 -28.85(13) . . . . ?
O1 Dy1 Dy2 Dy3 -2.74(11) . . . . ?
N1 Dy1 Dy2 Dy3 -47.10(12) . . . . ?
O2 Dy1 Dy2 Dy3 -152.42(11) . . . . ?
N2 Dy1 Dy2 Dy3 52.41(15) . . . . ?
C8 Dy1 Dy2 Dy3 92.65(13) . . . . ?
N3 Dy1 Dy2 Dy3 122.07(11) . . . . ?
Cl1 Dy1 Dy2 Dy3 -125.26(4) . . . . ?
C9 Dy1 Dy2 Dy3 101.82(12) . . . . ?
C15 Dy1 Dy2 Dy3 143.98(11) . . . . ?
C10 Dy1 Dy2 Dy3 130.31(12) . . . . ?
N7 Dy2 Dy3 O1 -154.8(2) . . . . ?
N6 Dy2 Dy3 O1 -125.47(18) . . . . ?
N3 Dy2 Dy3 O1 43.82(14) . . . . ?
Cl1 Dy2 Dy3 O1 -38.10(12) . . . . ?
Cl2 Dy2 Dy3 O1 122.85(12) . . . . ?
Si1 Dy2 Dy3 O1 159.51(13) . . . . ?
Dy1 Dy2 Dy3 O1 2.75(11) . . . . ?
N7 Dy2 Dy3 N4 161.9(2) . . . . ?
O1 Dy2 Dy3 N4 -43.30(17) . . . . ?
N6 Dy2 Dy3 N4 -168.77(18) . . . . ?
N3 Dy2 Dy3 N4 0.52(15) . . . . ?
Cl1 Dy2 Dy3 N4 -81.40(13) . . . . ?
Cl2 Dy2 Dy3 N4 79.55(13) . . . . ?
Si1 Dy2 Dy3 N4 116.21(14) . . . . ?
Dy1 Dy2 Dy3 N4 -40.55(13) . . . . ?
N7 Dy2 Dy3 N5 -106.3(2) . . . . ?
O1 Dy2 Dy3 N5 48.55(18) . . . . ?
N6 Dy2 Dy3 N5 -76.9(2) . . . . ?
N3 Dy2 Dy3 N5 92.37(17) . . . . ?
Cl1 Dy2 Dy3 N5 10.45(15) . . . . ?
Cl2 Dy2 Dy3 N5 171.40(15) . . . . ?
Si1 Dy2 Dy3 N5 -151.94(16) . . . . ?
Dy1 Dy2 Dy3 N5 51.30(15) . . . . ?
N7 Dy2 Dy3 O3 57.2(2) . . . . ?
O1 Dy2 Dy3 O3 -148.03(17) . . . . ?
N6 Dy2 Dy3 O3 86.50(19) . . . . ?
N3 Dy2 Dy3 O3 -104.21(16) . . . . ?
Cl1 Dy2 Dy3 O3 173.87(13) . . . . ?
Cl2 Dy2 Dy3 O3 -25.19(14) . . . . ?
Si1 Dy2 Dy3 O3 11.48(14) . . . . ?
Dy1 Dy2 Dy3 O3 -145.29(13) . . . . ?
N7 Dy2 Dy3 N6 -29.3(2) . . . . ?
O1 Dy2 Dy3 N6 125.47(18) . . . . ?
N3 Dy2 Dy3 N6 169.29(16) . . . . ?
Cl1 Dy2 Dy3 N6 87.37(14) . . . . ?
Cl2 Dy2 Dy3 N6 -111.68(14) . . . . ?
Si1 Dy2 Dy3 N6 -75.02(15) . . . . ?
Dy1 Dy2 Dy3 N6 128.21(14) . . . . ?
N7 Dy2 Dy3 C23 -58.8(2) . . . . ?
O1 Dy2 Dy3 C23 96.02(17) . . . . ?
N6 Dy2 Dy3 C23 -29.45(18) . . . . ?
N3 Dy2 Dy3 C23 139.84(16) . . . . ?
Cl1 Dy2 Dy3 C23 57.92(13) . . . . ?
Cl2 Dy2 Dy3 C23 -141.13(14) . . . . ?
Si1 Dy2 Dy3 C23 -104.47(14) . . . . ?
Dy1 Dy2 Dy3 C23 98.77(13) . . . . ?
N7 Dy2 Dy3 Cl2 82.35(17) . . . . ?
O1 Dy2 Dy3 Cl2 -122.85(12) . . . . ?
N6 Dy2 Dy3 Cl2 111.68(14) . . . . ?
N3 Dy2 Dy3 Cl2 -79.03(9) . . . . ?
Cl1 Dy2 Dy3 Cl2 -160.95(5) . . . . ?
Si1 Dy2 Dy3 Cl2 36.66(7) . . . . ?
Dy1 Dy2 Dy3 Cl2 -120.10(4) . . . . ?
N7 Dy2 Dy3 C24 -49.7(2) . . . . ?
O1 Dy2 Dy3 C24 105.15(17) . . . . ?
N6 Dy2 Dy3 C24 -20.32(19) . . . . ?
N3 Dy2 Dy3 C24 148.97(15) . . . . ?
Cl1 Dy2 Dy3 C24 67.05(13) . . . . ?
Cl2 Dy2 Dy3 C24 -132.00(13) . . . . ?
Si1 Dy2 Dy3 C24 -95.34(14) . . . . ?
Dy1 Dy2 Dy3 C24 107.90(13) . . . . ?
N7 Dy2 Dy3 C30 -7.0(2) . . . . ?
O1 Dy2 Dy3 C30 147.78(18) . . . . ?
N6 Dy2 Dy3 C30 22.31(19) . . . . ?
N3 Dy2 Dy3 C30 -168.40(16) . . . . ?
Cl1 Dy2 Dy3 C30 109.68(14) . . . . ?
Cl2 Dy2 Dy3 C30 -89.37(14) . . . . ?
Si1 Dy2 Dy3 C30 -52.71(15) . . . . ?
Dy1 Dy2 Dy3 C30 150.53(14) . . . . ?
N7 Dy2 Dy3 C25 -21.0(2) . . . . ?
O1 Dy2 Dy3 C25 133.85(18) . . . . ?
N6 Dy2 Dy3 C25 8.38(19) . . . . ?
N3 Dy2 Dy3 C25 177.67(16) . . . . ?
Cl1 Dy2 Dy3 C25 95.75(14) . . . . ?
Cl2 Dy2 Dy3 C25 -103.30(14) . . . . ?
Si1 Dy2 Dy3 C25 -66.64(14) . . . . ?
Dy1 Dy2 Dy3 C25 136.60(13) . . . . ?
N7 Dy2 Cl1 Dy1 -162.34(12) . . . . ?
O1 Dy2 Cl1 Dy1 30.73(8) . . . . ?
N6 Dy2 Cl1 Dy1 102.68(9) . . . . ?
N3 Dy2 Cl1 Dy1 -45.64(9) . . . . ?
Cl2 Dy2 Cl1 Dy1 21.86(9) . . . . ?
Si1 Dy2 Cl1 Dy1 -138.16(4) . . . . ?
Dy3 Dy2 Cl1 Dy1 52.66(3) . . . . ?
O1 Dy1 Cl1 Dy2 -33.16(8) . . . . ?
N1 Dy1 Cl1 Dy2 -124.42(11) . . . . ?
O2 Dy1 Cl1 Dy2 157.58(9) . . . . ?
N2 Dy1 Cl1 Dy2 -169.2(7) . . . . ?
C8 Dy1 Cl1 Dy2 34.68(13) . . . . ?
N3 Dy1 Cl1 Dy2 42.48(9) . . . . ?
C9 Dy1 Cl1 Dy2 59.82(15) . . . . ?
C15 Dy1 Cl1 Dy2 72.12(10) . . . . ?
C10 Dy1 Cl1 Dy2 82.42(11) . . . . ?
N7 Dy2 Cl2 Dy3 -136.12(13) . . . . ?
O1 Dy2 Cl2 Dy3 30.46(8) . . . . ?
N6 Dy2 Cl2 Dy3 -46.02(10) . . . . ?
N3 Dy2 Cl2 Dy3 104.84(8) . . . . ?
Cl1 Dy2 Cl2 Dy3 39.31(9) . . . . ?
Si1 Dy2 Cl2 Dy3 -159.51(4) . . . . ?
Dy1 Dy2 Cl2 Dy3 56.47(3) . . . . ?
O1 Dy3 Cl2 Dy2 -33.21(8) . . . . ?
N4 Dy3 Cl2 Dy2 -122.56(11) . . . . ?
N5 Dy3 Cl2 Dy2 -101.3(11) . . . . ?
O3 Dy3 Cl2 Dy2 160.79(10) . . . . ?
N6 Dy3 Cl2 Dy2 42.68(9) . . . . ?
C23 Dy3 Cl2 Dy2 35.68(12) . . . . ?
C24 Dy3 Cl2 Dy2 61.35(15) . . . . ?
C30 Dy3 Cl2 Dy2 72.89(11) . . . . ?
C25 Dy3 Cl2 Dy2 83.85(12) . . . . ?
O1 Dy2 Si1 N7 -176.8(4) . . . . ?
N6 Dy2 Si1 N7 46.4(3) . . . . ?
N3 Dy2 Si1 N7 -142.7(3) . . . . ?
Cl1 Dy2 Si1 N7 -61.3(2) . . . . ?
Cl2 Dy2 Si1 N7 128.7(2) . . . . ?
Dy3 Dy2 Si1 N7 100.4(2) . . . . ?
Dy1 Dy2 Si1 N7 -115.1(2) . . . . ?
N7 Dy2 Si1 C40 -169.4(4) . . . . ?
O1 Dy2 Si1 C40 13.8(5) . . . . ?
N6 Dy2 Si1 C40 -122.9(3) . . . . ?
N3 Dy2 Si1 C40 47.9(3) . . . . ?
Cl1 Dy2 Si1 C40 129.3(3) . . . . ?
Cl2 Dy2 Si1 C40 -40.7(3) . . . . ?
Dy3 Dy2 Si1 C40 -69.0(3) . . . . ?
Dy1 Dy2 Si1 C40 75.5(3) . . . . ?
N7 Dy2 Si1 C39 -73.6(5) . . . . ?
O1 Dy2 Si1 C39 109.6(6) . . . . ?
N6 Dy2 Si1 C39 -27.1(4) . . . . ?
N3 Dy2 Si1 C39 143.8(4) . . . . ?
Cl1 Dy2 Si1 C39 -134.8(4) . . . . ?
Cl2 Dy2 Si1 C39 55.1(4) . . . . ?
Dy3 Dy2 Si1 C39 26.8(4) . . . . ?
Dy1 Dy2 Si1 C39 171.3(4) . . . . ?
N7 Dy2 Si1 C41 94.1(4) . . . . ?
O1 Dy2 Si1 C41 -82.7(5) . . . . ?
N6 Dy2 Si1 C41 140.5(4) . . . . ?
N3 Dy2 Si1 C41 -48.6(4) . . . . ?
Cl1 Dy2 Si1 C41 32.8(3) . . . . ?
Cl2 Dy2 Si1 C41 -137.2(3) . . . . ?
Dy3 Dy2 Si1 C41 -165.5(3) . . . . ?
Dy1 Dy2 Si1 C41 -21.0(4) . . . . ?
N4 Dy3 O1 Dy1 -26.4(3) . . . . ?
N5 Dy3 O1 Dy1 44.0(3) . . . . ?
O3 Dy3 O1 Dy1 -94.6(4) . . . . ?
N6 Dy3 O1 Dy1 151.6(3) . . . . ?
C23 Dy3 O1 Dy1 120.1(3) . . . . ?
Cl2 Dy3 O1 Dy1 -129.7(3) . . . . ?
C24 Dy3 O1 Dy1 109.4(3) . . . . ?
C30 Dy3 O1 Dy1 158.2(3) . . . . ?
C25 Dy3 O1 Dy1 133.3(3) . . . . ?
Dy2 Dy3 O1 Dy1 -171.5(4) . . . . ?
N4 Dy3 O1 Dy2 145.12(14) . . . . ?
N5 Dy3 O1 Dy2 -144.53(13) . . . . ?
O3 Dy3 O1 Dy2 76.9(3) . . . . ?
N6 Dy3 O1 Dy2 -36.92(12) . . . . ?
C23 Dy3 O1 Dy2 -68.43(15) . . . . ?
Cl2 Dy3 O1 Dy2 41.75(8) . . . . ?
C24 Dy3 O1 Dy2 -79.08(15) . . . . ?
C30 Dy3 O1 Dy2 -30.31(16) . . . . ?
C25 Dy3 O1 Dy2 -55.21(18) . . . . ?
N1 Dy1 O1 Dy3 -43.5(3) . . . . ?
O2 Dy1 O1 Dy3 -123.5(3) . . . . ?
N2 Dy1 O1 Dy3 26.8(3) . . . . ?
C8 Dy1 O1 Dy3 102.5(3) . . . . ?
N3 Dy1 O1 Dy3 134.0(3) . . . . ?
Cl1 Dy1 O1 Dy3 -147.1(3) . . . . ?
C9 Dy1 O1 Dy3 92.1(3) . . . . ?
C15 Dy1 O1 Dy3 140.4(3) . . . . ?
C10 Dy1 O1 Dy3 116.1(3) . . . . ?
Dy2 Dy1 O1 Dy3 171.5(4) . . . . ?
N1 Dy1 O1 Dy2 145.05(12) . . . . ?
O2 Dy1 O1 Dy2 65.0(3) . . . . ?
N2 Dy1 O1 Dy2 -144.68(12) . . . . ?
C8 Dy1 O1 Dy2 -68.97(14) . . . . ?
N3 Dy1 O1 Dy2 -37.50(11) . . . . ?
Cl1 Dy1 O1 Dy2 41.42(8) . . . . ?
C9 Dy1 O1 Dy2 -79.37(14) . . . . ?
C15 Dy1 O1 Dy2 -31.09(14) . . . . ?
C10 Dy1 O1 Dy2 -55.41(17) . . . . ?
N7 Dy2 O1 Dy3 85.9(5) . . . . ?
N6 Dy2 O1 Dy3 40.10(13) . . . . ?
N3 Dy2 O1 Dy3 -134.96(14) . . . . ?
Cl1 Dy2 O1 Dy3 141.49(11) . . . . ?
Cl2 Dy2 O1 Dy3 -43.10(9) . . . . ?
Si1 Dy2 O1 Dy3 -99.5(4) . . . . ?
Dy1 Dy2 O1 Dy3 -175.54(18) . . . . ?
N7 Dy2 O1 Dy1 -98.6(5) . . . . ?
N6 Dy2 O1 Dy1 -144.36(15) . . . . ?
N3 Dy2 O1 Dy1 40.58(12) . . . . ?
Cl1 Dy2 O1 Dy1 -42.97(8) . . . . ?
Cl2 Dy2 O1 Dy1 132.44(11) . . . . ?
Si1 Dy2 O1 Dy1 76.0(4) . . . . ?
Dy3 Dy2 O1 Dy1 175.54(18) . . . . ?
O1 Dy1 O2 C34 140.7(5) . . . . ?
N1 Dy1 O2 C34 57.4(5) . . . . ?
N2 Dy1 O2 C34 -11.5(5) . . . . ?
C8 Dy1 O2 C34 -95.7(5) . . . . ?
N3 Dy1 O2 C34 -126.3(5) . . . . ?
Cl1 Dy1 O2 C34 163.9(5) . . . . ?
C9 Dy1 O2 C34 -75.2(5) . . . . ?
C15 Dy1 O2 C34 -118.9(5) . . . . ?
C10 Dy1 O2 C34 -90.7(5) . . . . ?
Dy2 Dy1 O2 C34 -175.4(4) . . . . ?
O1 Dy1 O2 C31 -24.4(6) . . . . ?
N1 Dy1 O2 C31 -107.7(5) . . . . ?
N2 Dy1 O2 C31 -176.6(5) . . . . ?
C8 Dy1 O2 C31 99.3(5) . . . . ?
N3 Dy1 O2 C31 68.6(5) . . . . ?
Cl1 Dy1 O2 C31 -1.1(5) . . . . ?
C9 Dy1 O2 C31 119.7(5) . . . . ?
C15 Dy1 O2 C31 76.0(5) . . . . ?
C10 Dy1 O2 C31 104.3(5) . . . . ?
Dy2 Dy1 O2 C31 19.5(5) . . . . ?
O1 Dy3 O3 C38 131.2(5) . . . . ?
N4 Dy3 O3 C38 60.2(5) . . . . ?
N5 Dy3 O3 C38 -7.7(5) . . . . ?
N6 Dy3 O3 C38 -124.0(5) . . . . ?
C23 Dy3 O3 C38 -91.1(5) . . . . ?
Cl2 Dy3 O3 C38 165.6(5) . . . . ?
C24 Dy3 O3 C38 -73.0(5) . . . . ?
C30 Dy3 O3 C38 -118.4(5) . . . . ?
C25 Dy3 O3 C38 -90.4(5) . . . . ?
Dy2 Dy3 O3 C38 -175.0(5) . . . . ?
O1 Dy3 O3 C35 -25.8(7) . . . . ?
N4 Dy3 O3 C35 -96.8(6) . . . . ?
N5 Dy3 O3 C35 -164.6(6) . . . . ?
N6 Dy3 O3 C35 79.1(6) . . . . ?
C23 Dy3 O3 C35 111.9(6) . . . . ?
Cl2 Dy3 O3 C35 8.7(6) . . . . ?
C24 Dy3 O3 C35 130.1(6) . . . . ?
C30 Dy3 O3 C35 84.7(6) . . . . ?
C25 Dy3 O3 C35 112.7(6) . . . . ?
Dy2 Dy3 O3 C35 28.0(6) . . . . ?
O1 Dy1 N1 C4 -77.5(6) . . . . ?
O2 Dy1 N1 C4 75.4(6) . . . . ?
N2 Dy1 N1 C4 172.6(7) . . . . ?
C8 Dy1 N1 C4 -144.7(6) . . . . ?
N3 Dy1 N1 C4 -88.7(8) . . . . ?
Cl1 Dy1 N1 C4 -1.2(6) . . . . ?
C9 Dy1 N1 C4 173.8(6) . . . . ?
C15 Dy1 N1 C4 88.7(8) . . . . ?
C10 Dy1 N1 C4 132.9(6) . . . . ?
Dy2 Dy1 N1 C4 -51.3(6) . . . . ?
O1 Dy1 N1 C1 107.0(3) . . . . ?
O2 Dy1 N1 C1 -100.1(4) . . . . ?
N2 Dy1 N1 C1 -2.9(3) . . . . ?
C8 Dy1 N1 C1 39.8(5) . . . . ?
N3 Dy1 N1 C1 95.8(6) . . . . ?
Cl1 Dy1 N1 C1 -176.7(3) . . . . ?
C9 Dy1 N1 C1 -1.7(4) . . . . ?
C15 Dy1 N1 C1 -86.8(6) . . . . ?
C10 Dy1 N1 C1 -42.6(5) . . . . ?
Dy2 Dy1 N1 C1 133.2(3) . . . . ?
O1 Dy1 N2 C5 -82.9(4) . . . . ?
N1 Dy1 N2 C5 4.7(4) . . . . ?
O2 Dy1 N2 C5 84.0(4) . . . . ?
C8 Dy1 N2 C5 -151.9(4) . . . . ?
N3 Dy1 N2 C5 -161.8(4) . . . . ?
Cl1 Dy1 N2 C5 51.4(10) . . . . ?
C9 Dy1 N2 C5 -174.2(5) . . . . ?
C15 Dy1 N2 C5 168.0(4) . . . . ?
C10 Dy1 N2 C5 161.3(4) . . . . ?
Dy2 Dy1 N2 C5 -116.2(4) . . . . ?
O1 Dy1 N2 C6 99.5(6) . . . . ?
N1 Dy1 N2 C6 -172.9(6) . . . . ?
O2 Dy1 N2 C6 -93.6(6) . . . . ?
C8 Dy1 N2 C6 30.5(6) . . . . ?
N3 Dy1 N2 C6 20.6(6) . . . . ?
Cl1 Dy1 N2 C6 -126.3(7) . . . . ?
C9 Dy1 N2 C6 8.1(6) . . . . ?
C15 Dy1 N2 C6 -9.7(6) . . . . ?
C10 Dy1 N2 C6 -16.4(6) . . . . ?
Dy2 Dy1 N2 C6 66.2(6) . . . . ?
N7 Dy2 N3 C15 63.6(4) . . . . ?
O1 Dy2 N3 C15 -104.8(4) . . . . ?
N6 Dy2 N3 C15 -113.9(4) . . . . ?
Cl1 Dy2 N3 C15 -27.9(4) . . . . ?
Cl2 Dy2 N3 C15 179.7(4) . . . . ?
Si1 Dy2 N3 C15 82.1(4) . . . . ?
Dy3 Dy2 N3 C15 -129.6(4) . . . . ?
Dy1 Dy2 N3 C15 -74.9(4) . . . . ?
N7 Dy2 N3 C8 -151.3(3) . . . . ?
O1 Dy2 N3 C8 40.3(3) . . . . ?
N6 Dy2 N3 C8 31.1(4) . . . . ?
Cl1 Dy2 N3 C8 117.1(3) . . . . ?
Cl2 Dy2 N3 C8 -35.2(3) . . . . ?
Si1 Dy2 N3 C8 -132.8(3) . . . . ?
Dy3 Dy2 N3 C8 15.4(3) . . . . ?
Dy1 Dy2 N3 C8 70.2(3) . . . . ?
N7 Dy2 N3 Dy1 138.53(13) . . . . ?
O1 Dy2 N3 Dy1 -29.90(9) . . . . ?
N6 Dy2 N3 Dy1 -39.0(3) . . . . ?
Cl1 Dy2 N3 Dy1 46.96(7) . . . . ?
Cl2 Dy2 N3 Dy1 -105.40(8) . . . . ?
Si1 Dy2 N3 Dy1 157.01(7) . . . . ?
Dy3 Dy2 N3 Dy1 -54.74(8) . . . . ?
O1 Dy1 N3 C15 166.8(3) . . . . ?
N1 Dy1 N3 C15 178.5(5) . . . . ?
O2 Dy1 N3 C15 15.4(3) . . . . ?
N2 Dy1 N3 C15 -87.6(3) . . . . ?
C8 Dy1 N3 C15 -107.5(4) . . . . ?
Cl1 Dy1 N3 C15 87.7(3) . . . . ?
C9 Dy1 N3 C15 -72.9(3) . . . . ?
C10 Dy1 N3 C15 -34.7(3) . . . . ?
Dy2 Dy1 N3 C15 134.2(3) . . . . ?
O1 Dy1 N3 C8 -85.7(3) . . . . ?
N1 Dy1 N3 C8 -74.1(6) . . . . ?
O2 Dy1 N3 C8 122.8(3) . . . . ?
N2 Dy1 N3 C8 19.9(3) . . . . ?
Cl1 Dy1 N3 C8 -164.8(3) . . . . ?
C9 Dy1 N3 C8 34.6(3) . . . . ?
C15 Dy1 N3 C8 107.5(4) . . . . ?
C10 Dy1 N3 C8 72.7(3) . . . . ?
Dy2 Dy1 N3 C8 -118.4(3) . . . . ?
O1 Dy1 N3 Dy2 32.66(10) . . . . ?
N1 Dy1 N3 Dy2 44.3(6) . . . . ?
O2 Dy1 N3 Dy2 -118.79(11) . . . . ?
N2 Dy1 N3 Dy2 138.24(14) . . . . ?
C8 Dy1 N3 Dy2 118.4(3) . . . . ?
Cl1 Dy1 N3 Dy2 -46.41(7) . . . . ?
C9 Dy1 N3 Dy2 153.0(2) . . . . ?
C15 Dy1 N3 Dy2 -134.2(3) . . . . ?
C10 Dy1 N3 Dy2 -168.9(2) . . . . ?
O1 Dy3 N4 C19 -84.7(6) . . . . ?
N5 Dy3 N4 C19 175.2(7) . . . . ?
O3 Dy3 N4 C19 72.1(6) . . . . ?
N6 Dy3 N4 C19 -92.6(8) . . . . ?
C23 Dy3 N4 C19 -149.7(6) . . . . ?
Cl2 Dy3 N4 C19 -7.4(6) . . . . ?
C24 Dy3 N4 C19 168.0(6) . . . . ?
C30 Dy3 N4 C19 77.8(9) . . . . ?
C25 Dy3 N4 C19 126.0(6) . . . . ?
Dy2 Dy3 N4 C19 -58.8(7) . . . . ?
O1 Dy3 N4 C16 96.2(4) . . . . ?
N5 Dy3 N4 C16 -4.0(4) . . . . ?
O3 Dy3 N4 C16 -107.0(4) . . . . ?
N6 Dy3 N4 C16 88.3(7) . . . . ?
C23 Dy3 N4 C16 31.2(5) . . . . ?
Cl2 Dy3 N4 C16 173.5(3) . . . . ?
C24 Dy3 N4 C16 -11.1(5) . . . . ?
C30 Dy3 N4 C16 -101.3(7) . . . . ?
C25 Dy3 N4 C16 -53.2(5) . . . . ?
Dy2 Dy3 N4 C16 122.1(3) . . . . ?
O1 Dy3 N5 C20 -82.4(5) . . . . ?
N4 Dy3 N5 C20 6.4(4) . . . . ?
O3 Dy3 N5 C20 81.5(5) . . . . ?
N6 Dy3 N5 C20 -158.3(4) . . . . ?
C23 Dy3 N5 C20 -153.5(5) . . . . ?
Cl2 Dy3 N5 C20 -15.6(15) . . . . ?
C24 Dy3 N5 C20 -179.3(5) . . . . ?
C30 Dy3 N5 C20 170.5(4) . . . . ?
C25 Dy3 N5 C20 159.4(5) . . . . ?
Dy2 Dy3 N5 C20 -111.3(4) . . . . ?
O1 Dy3 N5 C21 79.7(6) . . . . ?
N4 Dy3 N5 C21 168.6(6) . . . . ?
O3 Dy3 N5 C21 -116.4(6) . . . . ?
N6 Dy3 N5 C21 3.8(6) . . . . ?
C23 Dy3 N5 C21 8.6(5) . . . . ?
Cl2 Dy3 N5 C21 146.5(9) . . . . ?
C24 Dy3 N5 C21 -17.2(5) . . . . ?
C30 Dy3 N5 C21 -27.4(6) . . . . ?
C25 Dy3 N5 C21 -38.5(6) . . . . ?
Dy2 Dy3 N5 C21 50.8(6) . . . . ?
N7 Dy2 N6 C23 -126.8(3) . . . . ?
O1 Dy2 N6 C23 41.9(3) . . . . ?
N3 Dy2 N6 C23 51.0(4) . . . . ?
Cl1 Dy2 N6 C23 -30.3(3) . . . . ?
Cl2 Dy2 N6 C23 119.5(3) . . . . ?
Si1 Dy2 N6 C23 -146.5(3) . . . . ?
Dy3 Dy2 N6 C23 71.5(3) . . . . ?
Dy1 Dy2 N6 C23 21.3(3) . . . . ?
N7 Dy2 N6 C30 86.9(4) . . . . ?
O1 Dy2 N6 C30 -104.4(4) . . . . ?
N3 Dy2 N6 C30 -95.3(4) . . . . ?
Cl1 Dy2 N6 C30 -176.6(4) . . . . ?
Cl2 Dy2 N6 C30 -26.8(4) . . . . ?
Si1 Dy2 N6 C30 67.2(4) . . . . ?
Dy3 Dy2 N6 C30 -74.8(4) . . . . ?
Dy1 Dy2 N6 C30 -125.0(4) . . . . ?
N7 Dy2 N6 Dy3 161.71(13) . . . . ?
O1 Dy2 N6 Dy3 -29.59(10) . . . . ?
N3 Dy2 N6 Dy3 -20.5(3) . . . . ?
Cl1 Dy2 N6 Dy3 -101.76(9) . . . . ?
Cl2 Dy2 N6 Dy3 48.02(8) . . . . ?
Si1 Dy2 N6 Dy3 141.98(6) . . . . ?
Dy1 Dy2 N6 Dy3 -50.13(11) . . . . ?
O1 Dy3 N6 C23 -86.0(3) . . . . ?
N4 Dy3 N6 C23 -77.7(6) . . . . ?
N5 Dy3 N6 C23 9.4(3) . . . . ?
O3 Dy3 N6 C23 118.9(3) . . . . ?
Cl2 Dy3 N6 C23 -166.4(3) . . . . ?
C24 Dy3 N6 C23 34.3(3) . . . . ?
C30 Dy3 N6 C23 107.4(4) . . . . ?
C25 Dy3 N6 C23 72.5(3) . . . . ?
Dy2 Dy3 N6 C23 -118.6(3) . . . . ?
O1 Dy3 N6 C30 166.7(3) . . . . ?
N4 Dy3 N6 C30 174.9(5) . . . . ?
N5 Dy3 N6 C30 -98.0(3) . . . . ?
O3 Dy3 N6 C30 11.5(3) . . . . ?
C23 Dy3 N6 C30 -107.4(4) . . . . ?
Cl2 Dy3 N6 C30 86.2(3) . . . . ?
C24 Dy3 N6 C30 -73.1(3) . . . . ?
C25 Dy3 N6 C30 -34.8(3) . . . . ?
Dy2 Dy3 N6 C30 134.0(4) . . . . ?
O1 Dy3 N6 Dy2 32.68(10) . . . . ?
N4 Dy3 N6 Dy2 40.9(6) . . . . ?
N5 Dy3 N6 Dy2 128.04(16) . . . . ?
O3 Dy3 N6 Dy2 -122.46(13) . . . . ?
C23 Dy3 N6 Dy2 118.6(3) . . . . ?
Cl2 Dy3 N6 Dy2 -47.80(9) . . . . ?
C24 Dy3 N6 Dy2 153.0(2) . . . . ?
C30 Dy3 N6 Dy2 -134.0(4) . . . . ?
C25 Dy3 N6 Dy2 -168.8(3) . . . . ?
C40 Si1 N7 Si2 -164.8(4) . . . . ?
C39 Si1 N7 Si2 -44.7(5) . . . . ?
C41 Si1 N7 Si2 79.3(4) . . . . ?
Dy2 Si1 N7 Si2 -175.6(4) . . . . ?
C40 Si1 N7 Dy2 10.8(4) . . . . ?
C39 Si1 N7 Dy2 130.9(4) . . . . ?
C41 Si1 N7 Dy2 -105.1(4) . . . . ?
C42 Si2 N7 Si1 -154.3(4) . . . . ?
C44 Si2 N7 Si1 86.1(4) . . . . ?
C43 Si2 N7 Si1 -34.8(5) . . . . ?
C42 Si2 N7 Dy2 30.5(4) . . . . ?
C44 Si2 N7 Dy2 -89.0(4) . . . . ?
C43 Si2 N7 Dy2 150.1(4) . . . . ?
O1 Dy2 N7 Si1 177.6(3) . . . . ?
N6 Dy2 N7 Si1 -138.6(2) . . . . ?
N3 Dy2 N7 Si1 42.7(3) . . . . ?
Cl1 Dy2 N7 Si1 124.4(2) . . . . ?
Cl2 Dy2 N7 Si1 -57.9(2) . . . . ?
Dy3 Dy2 N7 Si1 -116.6(2) . . . . ?
Dy1 Dy2 N7 Si1 101.0(2) . . . . ?
O1 Dy2 N7 Si2 -6.9(7) . . . . ?
N6 Dy2 N7 Si2 36.9(3) . . . . ?
N3 Dy2 N7 Si2 -141.8(2) . . . . ?
Cl1 Dy2 N7 Si2 -60.1(3) . . . . ?
Cl2 Dy2 N7 Si2 117.6(2) . . . . ?
Si1 Dy2 N7 Si2 175.5(5) . . . . ?
Dy3 Dy2 N7 Si2 58.9(3) . . . . ?
Dy1 Dy2 N7 Si2 -83.6(3) . . . . ?
C4 N1 C1 C2 0.1(7) . . . . ?
Dy1 N1 C1 C2 177.1(4) . . . . ?
C4 N1 C1 C5 -175.8(5) . . . . ?
Dy1 N1 C1 C5 1.2(6) . . . . ?
N1 C1 C2 C3 0.0(8) . . . . ?
C5 C1 C2 C3 175.3(6) . . . . ?
C1 C2 C3 C4 -0.1(9) . . . . ?
C1 N1 C4 C3 -0.1(7) . . . . ?
Dy1 N1 C4 C3 -175.9(5) . . . . ?
C2 C3 C4 N1 0.1(9) . . . . ?
C6 N2 C5 C1 171.7(6) . . . . ?
Dy1 N2 C5 C1 -6.1(7) . . . . ?
N1 C1 C5 N2 3.5(8) . . . . ?
C2 C1 C5 N2 -171.4(6) . . . . ?
C5 N2 C6 C7 157.7(7) . . . . ?
Dy1 N2 C6 C7 -24.7(10) . . . . ?
N2 C6 C7 C9 30.8(11) . . . . ?
C15 N3 C8 C9 3.7(5) . . . . ?
Dy2 N3 C8 C9 -150.5(3) . . . . ?
Dy1 N3 C8 C9 -73.8(4) . . . . ?
C15 N3 C8 Dy1 77.5(3) . . . . ?
Dy2 N3 C8 Dy1 -76.6(2) . . . . ?
O1 Dy1 C8 C9 -158.4(3) . . . . ?
N1 Dy1 C8 C9 -84.6(4) . . . . ?
O2 Dy1 C8 C9 45.0(4) . . . . ?
N2 Dy1 C8 C9 -44.7(3) . . . . ?
N3 Dy1 C8 C9 116.7(5) . . . . ?
Cl1 Dy1 C8 C9 131.9(3) . . . . ?
C15 Dy1 C8 C9 77.6(3) . . . . ?
C10 Dy1 C8 C9 38.3(3) . . . . ?
Dy2 Dy1 C8 C9 160.8(3) . . . . ?
O1 Dy1 C8 N3 84.8(3) . . . . ?
N1 Dy1 C8 N3 158.7(2) . . . . ?
O2 Dy1 C8 N3 -71.7(3) . . . . ?
N2 Dy1 C8 N3 -161.4(3) . . . . ?
Cl1 Dy1 C8 N3 15.2(3) . . . . ?
C9 Dy1 C8 N3 -116.7(5) . . . . ?
C15 Dy1 C8 N3 -39.1(2) . . . . ?
C10 Dy1 C8 N3 -78.5(3) . . . . ?
Dy2 Dy1 C8 N3 44.0(2) . . . . ?
N3 C8 C9 C10 -3.6(5) . . . . ?
Dy1 C8 C9 C10 -73.7(3) . . . . ?
N3 C8 C9 C7 172.4(4) . . . . ?
Dy1 C8 C9 C7 102.3(5) . . . . ?
N3 C8 C9 Dy1 70.1(3) . . . . ?
C6 C7 C9 C8 -102.9(8) . . . . ?
C6 C7 C9 C10 72.1(9) . . . . ?
C6 C7 C9 Dy1 -23.3(8) . . . . ?
O1 Dy1 C9 C8 20.9(3) . . . . ?
N1 Dy1 C9 C8 127.4(3) . . . . ?
O2 Dy1 C9 C8 -143.3(3) . . . . ?
N2 Dy1 C9 C8 128.7(4) . . . . ?
N3 Dy1 C9 C8 -36.0(3) . . . . ?
Cl1 Dy1 C9 C8 -58.3(4) . . . . ?
C15 Dy1 C9 C8 -74.6(3) . . . . ?
C10 Dy1 C9 C8 -110.1(4) . . . . ?
Dy2 Dy1 C9 C8 -17.2(3) . . . . ?
O1 Dy1 C9 C10 131.0(3) . . . . ?
N1 Dy1 C9 C10 -122.5(3) . . . . ?
O2 Dy1 C9 C10 -33.2(3) . . . . ?
N2 Dy1 C9 C10 -121.2(3) . . . . ?
C8 Dy1 C9 C10 110.1(4) . . . . ?
N3 Dy1 C9 C10 74.1(3) . . . . ?
Cl1 Dy1 C9 C10 51.8(3) . . . . ?
C15 Dy1 C9 C10 35.5(3) . . . . ?
Dy2 Dy1 C9 C10 92.9(3) . . . . ?
O1 Dy1 C9 C7 -100.0(5) . . . . ?
N1 Dy1 C9 C7 6.4(6) . . . . ?
O2 Dy1 C9 C7 95.8(5) . . . . ?
N2 Dy1 C9 C7 7.7(4) . . . . ?
C8 Dy1 C9 C7 -120.9(6) . . . . ?
N3 Dy1 C9 C7 -156.9(5) . . . . ?
Cl1 Dy1 C9 C7 -179.2(4) . . . . ?
C15 Dy1 C9 C7 164.5(5) . . . . ?
C10 Dy1 C9 C7 129.0(6) . . . . ?
Dy2 Dy1 C9 C7 -138.1(5) . . . . ?
C8 C9 C10 C15 2.0(5) . . . . ?
C7 C9 C10 C15 -173.8(5) . . . . ?
Dy1 C9 C10 C15 -63.9(3) . . . . ?
C8 C9 C10 C11 -177.5(5) . . . . ?
C7 C9 C10 C11 6.7(9) . . . . ?
Dy1 C9 C10 C11 116.6(6) . . . . ?
C8 C9 C10 Dy1 65.8(3) . . . . ?
C7 C9 C10 Dy1 -110.0(5) . . . . ?
O1 Dy1 C10 C15 58.6(3) . . . . ?
N1 Dy1 C10 C15 -156.0(3) . . . . ?
O2 Dy1 C10 C15 -97.6(3) . . . . ?
N2 Dy1 C10 C15 166.5(3) . . . . ?
C8 Dy1 C10 C15 76.6(3) . . . . ?
N3 Dy1 C10 C15 35.3(3) . . . . ?
Cl1 Dy1 C10 C15 -21.5(3) . . . . ?
C9 Dy1 C10 C15 115.5(4) . . . . ?
Dy2 Dy1 C10 C15 27.4(3) . . . . ?
O1 Dy1 C10 C11 171.9(5) . . . . ?
N1 Dy1 C10 C11 -42.7(6) . . . . ?
O2 Dy1 C10 C11 15.6(5) . . . . ?
N2 Dy1 C10 C11 -80.2(5) . . . . ?
C8 Dy1 C10 C11 -170.1(6) . . . . ?
N3 Dy1 C10 C11 148.6(6) . . . . ?
Cl1 Dy1 C10 C11 91.8(5) . . . . ?
C9 Dy1 C10 C11 -131.2(6) . . . . ?
C15 Dy1 C10 C11 113.3(6) . . . . ?
Dy2 Dy1 C10 C11 140.7(5) . . . . ?
O1 Dy1 C10 C9 -56.9(3) . . . . ?
N1 Dy1 C10 C9 88.5(4) . . . . ?
O2 Dy1 C10 C9 146.9(3) . . . . ?
N2 Dy1 C10 C9 51.0(3) . . . . ?
C8 Dy1 C10 C9 -38.9(3) . . . . ?
N3 Dy1 C10 C9 -80.2(3) . . . . ?
Cl1 Dy1 C10 C9 -137.0(3) . . . . ?
C15 Dy1 C10 C9 -115.5(4) . . . . ?
Dy2 Dy1 C10 C9 -88.1(3) . . . . ?
C15 C10 C11 C12 -0.6(8) . . . . ?
C9 C10 C11 C12 178.9(6) . . . . ?
Dy1 C10 C11 C12 -86.8(6) . . . . ?
C10 C11 C12 C13 0.6(9) . . . . ?
C11 C12 C13 C14 -0.5(10) . . . . ?
C12 C13 C14 C15 0.4(9) . . . . ?
C8 N3 C15 C14 176.9(5) . . . . ?
Dy2 N3 C15 C14 -35.3(7) . . . . ?
Dy1 N3 C15 C14 -111.4(5) . . . . ?
C8 N3 C15 C10 -2.3(5) . . . . ?
Dy2 N3 C15 C10 145.5(3) . . . . ?
Dy1 N3 C15 C10 69.4(3) . . . . ?
C8 N3 C15 Dy1 -71.7(3) . . . . ?
Dy2 N3 C15 Dy1 76.1(3) . . . . ?
C13 C14 C15 N3 -179.5(5) . . . . ?
C13 C14 C15 C10 -0.4(7) . . . . ?
C13 C14 C15 Dy1 94.9(5) . . . . ?
C11 C10 C15 N3 179.8(4) . . . . ?
C9 C10 C15 N3 0.2(5) . . . . ?
Dy1 C10 C15 N3 -62.7(3) . . . . ?
C11 C10 C15 C14 0.5(7) . . . . ?
C9 C10 C15 C14 -179.1(4) . . . . ?
Dy1 C10 C15 C14 118.0(4) . . . . ?
C11 C10 C15 Dy1 -117.5(4) . . . . ?
C9 C10 C15 Dy1 62.9(3) . . . . ?
O1 Dy1 C15 N3 -12.8(3) . . . . ?
N1 Dy1 C15 N3 -178.8(4) . . . . ?
O2 Dy1 C15 N3 -165.6(3) . . . . ?
N2 Dy1 C15 N3 102.8(3) . . . . ?
C8 Dy1 C15 N3 41.1(3) . . . . ?
Cl1 Dy1 C15 N3 -84.8(2) . . . . ?
C9 Dy1 C15 N3 81.0(3) . . . . ?
C10 Dy1 C15 N3 116.8(4) . . . . ?
Dy2 Dy1 C15 N3 -33.4(2) . . . . ?
O1 Dy1 C15 C14 110.7(4) . . . . ?
N1 Dy1 C15 C14 -55.3(7) . . . . ?
O2 Dy1 C15 C14 -42.1(4) . . . . ?
N2 Dy1 C15 C14 -133.8(4) . . . . ?
C8 Dy1 C15 C14 164.6(5) . . . . ?
N3 Dy1 C15 C14 123.5(5) . . . . ?
Cl1 Dy1 C15 C14 38.6(4) . . . . ?
C9 Dy1 C15 C14 -155.5(5) . . . . ?
C10 Dy1 C15 C14 -119.8(5) . . . . ?
Dy2 Dy1 C15 C14 90.1(4) . . . . ?
O1 Dy1 C15 C10 -129.6(3) . . . . ?
N1 Dy1 C15 C10 64.4(6) . . . . ?
O2 Dy1 C15 C10 77.7(3) . . . . ?
N2 Dy1 C15 C10 -14.0(3) . . . . ?
C8 Dy1 C15 C10 -75.7(3) . . . . ?
N3 Dy1 C15 C10 -116.8(4) . . . . ?
Cl1 Dy1 C15 C10 158.4(3) . . . . ?
C9 Dy1 C15 C10 -35.8(3) . . . . ?
Dy2 Dy1 C15 C10 -150.1(3) . . . . ?
C19 N4 C16 C17 0.2(7) . . . . ?
Dy3 N4 C16 C17 179.6(4) . . . . ?
C19 N4 C16 C20 -177.8(6) . . . . ?
Dy3 N4 C16 C20 1.6(7) . . . . ?
N4 C16 C17 C18 -0.1(8) . . . . ?
C20 C16 C17 C18 177.7(7) . . . . ?
C16 C17 C18 C19 -0.1(8) . . . . ?
C16 N4 C19 C18 -0.3(7) . . . . ?
Dy3 N4 C19 C18 -179.4(5) . . . . ?
C17 C18 C19 N4 0.2(9) . . . . ?
C21 N5 C20 C16 -171.3(6) . . . . ?
Dy3 N5 C20 C16 -8.4(8) . . . . ?
N4 C16 C20 N5 4.8(9) . . . . ?
C17 C16 C20 N5 -172.8(6) . . . . ?
C20 N5 C21 C22 -157.9(6) . . . . ?
Dy3 N5 C21 C22 40.7(9) . . . . ?
N5 C21 C22 C24 -43.7(9) . . . . ?
C30 N6 C23 C24 4.6(5) . . . . ?
Dy2 N6 C23 C24 -150.3(3) . . . . ?
Dy3 N6 C23 C24 -73.0(4) . . . . ?
C30 N6 C23 Dy3 77.6(3) . . . . ?
Dy2 N6 C23 Dy3 -77.3(2) . . . . ?
O1 Dy3 C23 C24 -158.0(4) . . . . ?
N4 Dy3 C23 C24 -87.3(4) . . . . ?
N5 Dy3 C23 C24 -53.9(4) . . . . ?
O3 Dy3 C23 C24 39.0(4) . . . . ?
N6 Dy3 C23 C24 117.1(5) . . . . ?
Cl2 Dy3 C23 C24 130.7(3) . . . . ?
C30 Dy3 C23 C24 77.6(4) . . . . ?
C25 Dy3 C23 C24 38.0(3) . . . . ?
Dy2 Dy3 C23 C24 160.9(4) . . . . ?
O1 Dy3 C23 N6 84.9(3) . . . . ?
N4 Dy3 C23 N6 155.6(3) . . . . ?
N5 Dy3 C23 N6 -171.0(3) . . . . ?
O3 Dy3 C23 N6 -78.1(3) . . . . ?
Cl2 Dy3 C23 N6 13.6(3) . . . . ?
C24 Dy3 C23 N6 -117.1(5) . . . . ?
C30 Dy3 C23 N6 -39.5(3) . . . . ?
C25 Dy3 C23 N6 -79.1(3) . . . . ?
Dy2 Dy3 C23 N6 43.7(2) . . . . ?
N6 C23 C24 C25 -3.9(6) . . . . ?
Dy3 C23 C24 C25 -72.5(3) . . . . ?
N6 C23 C24 C22 169.6(5) . . . . ?
Dy3 C23 C24 C22 101.1(5) . . . . ?
N6 C23 C24 Dy3 68.6(3) . . . . ?
C21 C22 C24 C23 -51.7(9) . . . . ?
C21 C22 C24 C25 120.6(7) . . . . ?
C21 C22 C24 Dy3 28.4(7) . . . . ?
O1 Dy3 C24 C23 21.5(4) . . . . ?
N4 Dy3 C24 C23 125.5(3) . . . . ?
N5 Dy3 C24 C23 118.0(4) . . . . ?
O3 Dy3 C24 C23 -148.5(3) . . . . ?
N6 Dy3 C24 C23 -35.8(3) . . . . ?
Cl2 Dy3 C24 C23 -59.8(4) . . . . ?
C30 Dy3 C24 C23 -75.0(3) . . . . ?
C25 Dy3 C24 C23 -110.9(5) . . . . ?
Dy2 Dy3 C24 C23 -17.1(3) . . . . ?
O1 Dy3 C24 C25 132.4(3) . . . . ?
N4 Dy3 C24 C25 -123.6(3) . . . . ?
N5 Dy3 C24 C25 -131.1(3) . . . . ?
O3 Dy3 C24 C25 -37.6(3) . . . . ?
N6 Dy3 C24 C25 75.1(3) . . . . ?
C23 Dy3 C24 C25 110.9(5) . . . . ?
Cl2 Dy3 C24 C25 51.1(3) . . . . ?
C30 Dy3 C24 C25 35.9(3) . . . . ?
Dy2 Dy3 C24 C25 93.8(3) . . . . ?
O1 Dy3 C24 C22 -102.7(4) . . . . ?
N4 Dy3 C24 C22 1.3(5) . . . . ?
N5 Dy3 C24 C22 -6.2(4) . . . . ?
O3 Dy3 C24 C22 87.3(4) . . . . ?
N6 Dy3 C24 C22 -160.0(5) . . . . ?
C23 Dy3 C24 C22 -124.2(6) . . . . ?
Cl2 Dy3 C24 C22 176.0(4) . . . . ?
C30 Dy3 C24 C22 160.9(5) . . . . ?
C25 Dy3 C24 C22 124.9(6) . . . . ?
Dy2 Dy3 C24 C22 -141.3(4) . . . . ?
C23 C24 C25 C26 -178.1(6) . . . . ?
C22 C24 C25 C26 8.2(10) . . . . ?
Dy3 C24 C25 C26 116.4(6) . . . . ?
C23 C24 C25 C30 1.5(5) . . . . ?
C22 C24 C25 C30 -172.2(5) . . . . ?
Dy3 C24 C25 C30 -64.0(4) . . . . ?
C23 C24 C25 Dy3 65.5(3) . . . . ?
C22 C24 C25 Dy3 -108.2(5) . . . . ?
O1 Dy3 C25 C26 173.6(5) . . . . ?
N4 Dy3 C25 C26 -41.8(7) . . . . ?
N5 Dy3 C25 C26 -87.5(6) . . . . ?
O3 Dy3 C25 C26 12.0(5) . . . . ?
N6 Dy3 C25 C26 150.0(6) . . . . ?
C23 Dy3 C25 C26 -168.8(6) . . . . ?
Cl2 Dy3 C25 C26 91.9(5) . . . . ?
C24 Dy3 C25 C26 -130.5(7) . . . . ?
C30 Dy3 C25 C26 114.5(7) . . . . ?
Dy2 Dy3 C25 C26 142.1(5) . . . . ?
O1 Dy3 C25 C30 59.2(4) . . . . ?
N4 Dy3 C25 C30 -156.3(3) . . . . ?
N5 Dy3 C25 C30 158.0(4) . . . . ?
O3 Dy3 C25 C30 -102.5(4) . . . . ?
N6 Dy3 C25 C30 35.6(3) . . . . ?
C23 Dy3 C25 C30 76.7(3) . . . . ?
Cl2 Dy3 C25 C30 -22.6(4) . . . . ?
C24 Dy3 C25 C30 115.0(5) . . . . ?
Dy2 Dy3 C25 C30 27.7(3) . . . . ?
O1 Dy3 C25 C24 -55.8(3) . . . . ?
N4 Dy3 C25 C24 88.7(4) . . . . ?
N5 Dy3 C25 C24 43.0(3) . . . . ?
O3 Dy3 C25 C24 142.5(3) . . . . ?
N6 Dy3 C25 C24 -79.5(3) . . . . ?
C23 Dy3 C25 C24 -38.3(3) . . . . ?
Cl2 Dy3 C25 C24 -137.6(3) . . . . ?
C30 Dy3 C25 C24 -115.0(5) . . . . ?
Dy2 Dy3 C25 C24 -87.3(3) . . . . ?
C30 C25 C26 C27 0.6(9) . . . . ?
C24 C25 C26 C27 -179.8(7) . . . . ?
Dy3 C25 C26 C27 -85.6(7) . . . . ?
C25 C26 C27 C28 0.4(11) . . . . ?
C26 C27 C28 C29 0.0(13) . . . . ?
C27 C28 C29 C30 -1.4(11) . . . . ?
C23 N6 C30 C29 179.8(6) . . . . ?
Dy2 N6 C30 C29 -31.1(8) . . . . ?
Dy3 N6 C30 C29 -107.4(6) . . . . ?
C23 N6 C30 C25 -3.5(5) . . . . ?
Dy2 N6 C30 C25 145.6(4) . . . . ?
Dy3 N6 C30 C25 69.3(4) . . . . ?
C23 N6 C30 Dy3 -72.8(3) . . . . ?
Dy2 N6 C30 Dy3 76.2(3) . . . . ?
C28 C29 C30 N6 178.7(6) . . . . ?
C28 C29 C30 C25 2.3(9) . . . . ?
C28 C29 C30 Dy3 95.4(7) . . . . ?
C26 C25 C30 N6 -179.0(5) . . . . ?
C24 C25 C30 N6 1.3(6) . . . . ?
Dy3 C25 C30 N6 -62.5(3) . . . . ?
C26 C25 C30 C29 -2.0(8) . . . . ?
C24 C25 C30 C29 178.3(5) . . . . ?
Dy3 C25 C30 C29 114.6(5) . . . . ?
C26 C25 C30 Dy3 -116.5(5) . . . . ?
C24 C25 C30 Dy3 63.8(3) . . . . ?
O1 Dy3 C30 N6 -13.1(3) . . . . ?
N4 Dy3 C30 N6 -175.1(5) . . . . ?
N5 Dy3 C30 N6 93.1(3) . . . . ?
O3 Dy3 C30 N6 -169.5(3) . . . . ?
C23 Dy3 C30 N6 40.9(3) . . . . ?
Cl2 Dy3 C30 N6 -86.2(3) . . . . ?
C24 Dy3 C30 N6 80.6(3) . . . . ?
C25 Dy3 C30 N6 116.6(5) . . . . ?
Dy2 Dy3 C30 N6 -33.3(3) . . . . ?
O1 Dy3 C30 C29 111.4(4) . . . . ?
N4 Dy3 C30 C29 -50.6(8) . . . . ?
N5 Dy3 C30 C29 -142.4(4) . . . . ?
O3 Dy3 C30 C29 -45.0(4) . . . . ?
N6 Dy3 C30 C29 124.5(6) . . . . ?
C23 Dy3 C30 C29 165.4(5) . . . . ?
Cl2 Dy3 C30 C29 38.3(4) . . . . ?
C24 Dy3 C30 C29 -154.9(5) . . . . ?
C25 Dy3 C30 C29 -118.9(6) . . . . ?
Dy2 Dy3 C30 C29 91.2(4) . . . . ?
O1 Dy3 C30 C25 -129.7(3) . . . . ?
N4 Dy3 C30 C25 68.2(8) . . . . ?
N5 Dy3 C30 C25 -23.5(4) . . . . ?
O3 Dy3 C30 C25 73.8(4) . . . . ?
N6 Dy3 C30 C25 -116.6(5) . . . . ?
C23 Dy3 C30 C25 -75.7(4) . . . . ?
Cl2 Dy3 C30 C25 157.2(4) . . . . ?
C24 Dy3 C30 C25 -36.0(3) . . . . ?
Dy2 Dy3 C30 C25 -149.9(4) . . . . ?
C34 O2 C31 C32 16.7(8) . . . . ?
Dy1 O2 C31 C32 -177.1(4) . . . . ?
O2 C31 C32 C33 -21.3(9) . . . . ?
C31 C32 C33 C34 18.0(10) . . . . ?
C31 O2 C34 C33 -5.8(8) . . . . ?
Dy1 O2 C34 C33 -174.1(5) . . . . ?
C32 C33 C34 O2 -7.9(10) . . . . ?
C38 O3 C35 C36 -5.1(10) . . . . ?
Dy3 O3 C35 C36 153.9(6) . . . . ?
O3 C35 C36 C37 -4.7(12) . . . . ?
C35 C36 C37 C38 12.7(14) . . . . ?
C36 C37 C38 O3 -15.9(12) . . . . ?
C35 O3 C38 C37 13.0(10) . . . . ?
Dy3 O3 C38 C37 -148.7(6) . . . . ?

_diffrn_measured_fraction_theta_max 0.997
_diffrn_reflns_theta_full        27.00
_diffrn_measured_fraction_theta_full 0.997
_refine_diff_density_max         1.343
_refine_diff_density_min         -0.871
_refine_diff_density_rms         0.104
_database_code_depnum_ccdc_archive 'CCDC 935212'
#######################################################################
#
#                 Cambridge Crystallographic Data Centre
#                                CCDC 
# 
#######################################################################
# 
#  This CIF contains data from an original supplementary publication
#  deposited with the CCDC, and may include chemical, crystal,
#  experimental, refinement, atomic coordinates,
#  anisotropic displacement parameters and molecular geometry data,
#  as required by the journal to which it was submitted.
#
#  This CIF is provided on the understanding that it is used for bona
#  fide research purposes only. It may contain copyright material
#  of the CCDC or of third parties, and may not be copied or further
#  disseminated in any form, whether machine-readable or not,
#  except for the purpose of generating routine backup copies
#  on your local computer system.
# 
#  For further information on the CCDC, data deposition and
#  data retrieval see:
#                         www.ccdc.cam.ac.uk
#
#  Bona fide researchers may freely download Mercury and enCIFer
#  from this site to visualise CIF-encoded structures and 
#  to carry out CIF format checking respectively.
#
data_b
#TrackingRef '3d-Er.cif'


_audit_creation_method           SHELXL-97
_chemical_name_systematic        
;
?
;
_chemical_name_common            ?
_chemical_melting_point          ?
_chemical_formula_moiety         ?
_chemical_formula_sum            'C44 H60 Cl2 Er3 N7 O3 Si2'
_chemical_formula_weight         1363.85

loop_
_atom_type_symbol
_atom_type_description
_atom_type_scat_dispersion_real
_atom_type_scat_dispersion_imag
_atom_type_scat_source
C C 0.0033 0.0016 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
H H 0.0000 0.0000 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
N N 0.0061 0.0033 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
O O 0.0106 0.0060 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Si Si 0.0817 0.0704 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Cl Cl 0.1484 0.1585 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Er Er -0.2586 4.9576 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'

_symmetry_cell_setting           Monoclinic
_symmetry_space_group_name_H-M   P2(1)/n

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

_cell_length_a                   15.1702(8)
_cell_length_b                   15.9503(9)
_cell_length_c                   21.0875(11)
_cell_angle_alpha                90.00
_cell_angle_beta                 92.8960(10)
_cell_angle_gamma                90.00
_cell_volume                     5096.0(5)
_cell_formula_units_Z            4
_cell_measurement_temperature    293(2)
_cell_measurement_reflns_used    9925
_cell_measurement_theta_min      2.32
_cell_measurement_theta_max      27.38

_exptl_crystal_description       block
_exptl_crystal_colour            pink
_exptl_crystal_size_max          0.17
_exptl_crystal_size_mid          0.15
_exptl_crystal_size_min          0.14
_exptl_crystal_density_meas      ?
_exptl_crystal_density_diffrn    1.778
_exptl_crystal_density_method    'not measured'
_exptl_crystal_F_000             2652
_exptl_absorpt_coefficient_mu    5.091
_exptl_absorpt_correction_type   none
_exptl_absorpt_correction_T_min  0.4782
_exptl_absorpt_correction_T_max  0.5359
_exptl_absorpt_process_details   ?

_exptl_special_details           
;
?
;

_diffrn_ambient_temperature      293(2)
_diffrn_radiation_wavelength     0.71073
_diffrn_radiation_type           MoK\a
_diffrn_radiation_source         'fine-focus sealed tube'
_diffrn_radiation_monochromator  graphite
_diffrn_measurement_device_type  'CCD area detector'
_diffrn_measurement_method       'phi and omega scans'
_diffrn_detector_area_resol_mean ?
_diffrn_standards_number         ?
_diffrn_standards_interval_count ?
_diffrn_standards_interval_time  ?
_diffrn_standards_decay_%        ?
_diffrn_reflns_number            43556
_diffrn_reflns_av_R_equivalents  0.0434
_diffrn_reflns_av_sigmaI/netI    0.0440
_diffrn_reflns_limit_h_min       -19
_diffrn_reflns_limit_h_max       19
_diffrn_reflns_limit_k_min       -20
_diffrn_reflns_limit_k_max       19
_diffrn_reflns_limit_l_min       -23
_diffrn_reflns_limit_l_max       27
_diffrn_reflns_theta_min         1.60
_diffrn_reflns_theta_max         27.56
_reflns_number_total             11677
_reflns_number_gt                8236
_reflns_threshold_expression     >2sigma(I)

_computing_data_collection       'Bruker SMART'
_computing_cell_refinement       'Bruker SMART'
_computing_data_reduction        'Bruker SAINT'
_computing_structure_solution    'SHELXS-97 (Sheldrick, 1990)'
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 1997)'
_computing_molecular_graphics    'Bruker SHELXTL'
_computing_publication_material  'Bruker SHELXTL'

_refine_special_details          
;
Refinement of F^2^ against ALL reflections. The weighted R-factor wR and
goodness of fit S are based on F^2^, conventional R-factors R are based
on F, with F set to zero for negative F^2^. The threshold expression of
F^2^ > 2sigma(F^2^) is used only for calculating R-factors(gt) etc. and is
not relevant to the choice of reflections for refinement. R-factors based
on F^2^ are statistically about twice as large as those based on F, and R-
factors based on ALL data will be even larger.
;

_refine_ls_structure_factor_coef Fsqd
_refine_ls_matrix_type           full
_refine_ls_weighting_scheme      calc
_refine_ls_weighting_details     
'calc w=1/[\s^2^(Fo^2^)+(0.0226P)^2^+6.7276P] where P=(Fo^2^+2Fc^2^)/3'
_atom_sites_solution_primary     direct
_atom_sites_solution_secondary   difmap
_atom_sites_solution_hydrogens   geom
_refine_ls_hydrogen_treatment    constr
_refine_ls_extinction_method     none
_refine_ls_extinction_coef       ?
_refine_ls_number_reflns         11677
_refine_ls_number_parameters     556
_refine_ls_number_restraints     663
_refine_ls_R_factor_all          0.0648
_refine_ls_R_factor_gt           0.0334
_refine_ls_wR_factor_ref         0.0709
_refine_ls_wR_factor_gt          0.0613
_refine_ls_goodness_of_fit_ref   1.012
_refine_ls_restrained_S_all      1.027
_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_symmetry_multiplicity
_atom_site_calc_flag
_atom_site_refinement_flags
_atom_site_disorder_assembly
_atom_site_disorder_group
Er1 Er 0.700041(14) 0.254910(13) 0.200936(11) 0.03730(6) Uani 1 1 d U . .
Er2 Er 0.885280(14) 0.224089(15) 0.114484(11) 0.04048(7) Uani 1 1 d U . .
Er3 Er 0.707135(14) 0.249247(14) 0.009235(11) 0.04034(6) Uani 1 1 d U . .
Cl1 Cl 0.85877(8) 0.34003(8) 0.20344(6) 0.0493(3) Uani 1 1 d U . .
Cl2 Cl 0.82147(9) 0.11374(9) 0.02565(7) 0.0570(4) Uani 1 1 d U . .
Si1 Si 1.08816(10) 0.14158(12) 0.13279(8) 0.0611(5) Uani 1 1 d U . .
Si2 Si 1.09025(11) 0.32484(13) 0.10368(9) 0.0684(5) Uani 1 1 d U . .
O1 O 0.7383(2) 0.25077(18) 0.10641(15) 0.0378(7) Uani 1 1 d U . .
O2 O 0.7028(2) 0.3154(2) 0.30461(18) 0.0575(10) Uani 1 1 d U . .
O3 O 0.6773(3) 0.1833(3) -0.09279(18) 0.0653(11) Uani 1 1 d U . .
N1 N 0.5957(3) 0.3606(3) 0.1815(2) 0.0511(11) Uani 1 1 d U . .
N2 N 0.5543(3) 0.1976(3) 0.2063(2) 0.0565(12) Uani 1 1 d U . .
N3 N 0.8222(3) 0.1351(2) 0.1953(2) 0.0449(10) Uani 1 1 d U . .
N4 N 0.5680(3) 0.1886(3) 0.0235(2) 0.0533(11) Uani 1 1 d U . .
N5 N 0.5974(3) 0.3553(3) 0.0017(3) 0.0643(13) Uani 1 1 d U . .
N6 N 0.8649(3) 0.3166(3) 0.0236(2) 0.0511(10) Uani 1 1 d U . .
N7 N 1.0336(3) 0.2336(3) 0.1186(2) 0.0515(11) Uani 1 1 d U . .
C1 C 0.5082(3) 0.3345(3) 0.1807(3) 0.0501(12) Uani 1 1 d U . .
C2 C 0.4525(4) 0.4017(4) 0.1712(3) 0.0766(18) Uani 1 1 d U . .
H2 H 0.3911 0.4004 0.1686 0.092 Uiso 1 1 calc R . .
C3 C 0.5051(5) 0.4711(4) 0.1664(4) 0.089(2) Uani 1 1 d U . .
H3 H 0.4860 0.5260 0.1599 0.107 Uiso 1 1 calc R . .
C4 C 0.5919(4) 0.4443(4) 0.1730(3) 0.0737(17) Uani 1 1 d U . .
H4 H 0.6408 0.4793 0.1717 0.088 Uiso 1 1 calc R . .
C5 C 0.4910(3) 0.2493(3) 0.1922(3) 0.0500(12) Uani 1 1 d U . .
H5 H 0.4330 0.2300 0.1896 0.060 Uiso 1 1 calc R . .
C6 C 0.5320(4) 0.1123(4) 0.2249(4) 0.100(2) Uani 1 1 d U . .
H6A H 0.5108 0.1145 0.2675 0.120 Uiso 1 1 calc R . .
H6B H 0.4833 0.0934 0.1969 0.120 Uiso 1 1 calc R . .
C7 C 0.5969(4) 0.0535(4) 0.2242(4) 0.090(2) Uani 1 1 d U . .
H7A H 0.5886 0.0214 0.1853 0.108 Uiso 1 1 calc R . .
H7B H 0.5890 0.0152 0.2592 0.108 Uiso 1 1 calc R . .
C8 C 0.7427(4) 0.0971(3) 0.1788(3) 0.0540(13) Uani 1 1 d U . .
H8 H 0.7262 0.0818 0.1373 0.065 Uiso 1 1 calc R . .
C9 C 0.6902(4) 0.0839(3) 0.2288(3) 0.0592(13) Uani 1 1 d U . .
C10 C 0.7417(4) 0.1109(3) 0.2834(3) 0.0566(13) Uani 1 1 d U . .
C11 C 0.7287(5) 0.1107(4) 0.3488(3) 0.0739(17) Uani 1 1 d U . .
H11 H 0.6763 0.0907 0.3642 0.089 Uiso 1 1 calc R . .
C12 C 0.7943(5) 0.1404(4) 0.3894(3) 0.0806(19) Uani 1 1 d U . .
H12 H 0.7865 0.1406 0.4329 0.097 Uiso 1 1 calc R . .
C13 C 0.8729(5) 0.1705(4) 0.3666(3) 0.0749(17) Uani 1 1 d U . .
H13 H 0.9164 0.1904 0.3954 0.090 Uiso 1 1 calc R . .
C14 C 0.8885(4) 0.1716(4) 0.3032(3) 0.0605(14) Uani 1 1 d U . .
H14 H 0.9413 0.1920 0.2887 0.073 Uiso 1 1 calc R . .
C15 C 0.8219(3) 0.1411(3) 0.2612(3) 0.0477(12) Uani 1 1 d U . .
C16 C 0.5009(3) 0.2466(4) 0.0255(3) 0.0543(13) Uani 1 1 d U . .
C17 C 0.4211(4) 0.2064(4) 0.0335(3) 0.0736(17) Uani 1 1 d U . .
H17 H 0.3659 0.2312 0.0356 0.088 Uiso 1 1 calc R . .
C18 C 0.4403(5) 0.1231(5) 0.0378(4) 0.0872(19) Uani 1 1 d U . .
H18 H 0.4000 0.0803 0.0439 0.105 Uiso 1 1 calc R . .
C19 C 0.5305(4) 0.1134(4) 0.0316(3) 0.0760(17) Uani 1 1 d U . .
H19 H 0.5603 0.0624 0.0328 0.091 Uiso 1 1 calc R . .
C20 C 0.5200(4) 0.3316(4) 0.0148(3) 0.0632(15) Uani 1 1 d U . .
H20 H 0.4754 0.3713 0.0173 0.076 Uiso 1 1 calc R . .
C21 C 0.6170(5) 0.4466(4) 0.0002(4) 0.100(2) Uani 1 1 d U . .
H21A H 0.5653 0.4760 -0.0172 0.120 Uiso 1 1 calc R . .
H21B H 0.6287 0.4663 0.0433 0.120 Uiso 1 1 calc R . .
C22 C 0.6908(4) 0.4674(4) -0.0366(4) 0.0801(18) Uani 1 1 d U . .
H22A H 0.7109 0.5235 -0.0254 0.096 Uiso 1 1 calc R . .
H22B H 0.6719 0.4677 -0.0813 0.096 Uiso 1 1 calc R . .
C23 C 0.8067(3) 0.3834(3) 0.0300(3) 0.0511(12) Uani 1 1 d U . .
H23 H 0.7965 0.4088 0.0687 0.061 Uiso 1 1 calc R . .
C24 C 0.7659(4) 0.4077(4) -0.0266(3) 0.0612(14) Uani 1 1 d U . .
C25 C 0.8028(4) 0.3576(4) -0.0739(3) 0.0634(14) Uani 1 1 d U . .
C26 C 0.7914(4) 0.3534(5) -0.1408(3) 0.0829(19) Uani 1 1 d U . .
H26 H 0.7528 0.3894 -0.1630 0.099 Uiso 1 1 calc R . .
C27 C 0.8383(5) 0.2955(6) -0.1712(4) 0.101(2) Uani 1 1 d U . .
H27 H 0.8308 0.2919 -0.2151 0.121 Uiso 1 1 calc R . .
C28 C 0.8969(5) 0.2415(6) -0.1401(3) 0.097(2) Uani 1 1 d U . .
H28 H 0.9272 0.2026 -0.1635 0.116 Uiso 1 1 calc R . .
C29 C 0.9114(4) 0.2440(5) -0.0753(3) 0.0774(18) Uani 1 1 d U . .
H29 H 0.9515 0.2079 -0.0546 0.093 Uiso 1 1 calc R . .
C30 C 0.8641(3) 0.3022(4) -0.0417(3) 0.0582(13) Uani 1 1 d U . .
C31 C 0.6214(4) 0.3169(5) 0.3368(3) 0.0866(19) Uani 1 1 d U . .
H31A H 0.6018 0.2602 0.3450 0.104 Uiso 1 1 calc R . .
H31B H 0.5758 0.3451 0.3108 0.104 Uiso 1 1 calc R . .
C32 C 0.6377(5) 0.3614(6) 0.3956(4) 0.103(2) Uani 1 1 d U . .
H32A H 0.6214 0.3267 0.4309 0.124 Uiso 1 1 calc R . .
H32B H 0.6026 0.4122 0.3957 0.124 Uiso 1 1 calc R . .
C33 C 0.7307(5) 0.3823(5) 0.4024(3) 0.093(2) Uani 1 1 d U . .
H33A H 0.7610 0.3460 0.4333 0.112 Uiso 1 1 calc R . .
H33B H 0.7387 0.4401 0.4158 0.112 Uiso 1 1 calc R . .
C34 C 0.7649(5) 0.3692(4) 0.3380(3) 0.0764(18) Uani 1 1 d U . .
H34A H 0.7695 0.4223 0.3160 0.092 Uiso 1 1 calc R . .
H34B H 0.8228 0.3432 0.3413 0.092 Uiso 1 1 calc R . .
C35 C 0.6009(5) 0.2102(5) -0.1305(3) 0.094(2) Uani 1 1 d U . .
H35A H 0.5555 0.2300 -0.1034 0.113 Uiso 1 1 calc R . .
H35B H 0.6164 0.2554 -0.1586 0.113 Uiso 1 1 calc R . .
C36 C 0.5700(6) 0.1392(6) -0.1665(5) 0.140(3) Uani 1 1 d U . .
H36A H 0.5542 0.1557 -0.2098 0.168 Uiso 1 1 calc R . .
H36B H 0.5183 0.1156 -0.1480 0.168 Uiso 1 1 calc R . .
C37 C 0.6409(7) 0.0776(6) -0.1655(4) 0.134(3) Uani 1 1 d U . .
H37A H 0.6182 0.0220 -0.1575 0.161 Uiso 1 1 calc R . .
H37B H 0.6691 0.0771 -0.2057 0.161 Uiso 1 1 calc R . .
C38 C 0.7019(6) 0.1023(5) -0.1156(4) 0.104(2) Uani 1 1 d U . .
H38A H 0.7610 0.1046 -0.1310 0.124 Uiso 1 1 calc R . .
H38B H 0.7016 0.0618 -0.0813 0.124 Uiso 1 1 calc R . .
C39 C 1.0106(5) 0.0521(4) 0.1258(4) 0.106(3) Uani 1 1 d U . .
H39A H 0.9848 0.0496 0.0834 0.159 Uiso 1 1 calc R . .
H39B H 0.9648 0.0593 0.1552 0.159 Uiso 1 1 calc R . .
H39C H 1.0419 0.0009 0.1353 0.159 Uiso 1 1 calc R . .
C40 C 1.1385(5) 0.1311(6) 0.2154(3) 0.113(3) Uani 1 1 d U . .
H40A H 1.1697 0.1817 0.2269 0.169 Uiso 1 1 calc R . .
H40B H 1.1789 0.0847 0.2171 0.169 Uiso 1 1 calc R . .
H40C H 1.0929 0.1215 0.2444 0.169 Uiso 1 1 calc R . .
C41 C 1.1771(5) 0.1188(6) 0.0778(4) 0.117(3) Uani 1 1 d U . .
H41A H 1.2157 0.1663 0.0761 0.176 Uiso 1 1 calc R . .
H41B H 1.1514 0.1076 0.0361 0.176 Uiso 1 1 calc R . .
H41C H 1.2101 0.0708 0.0928 0.176 Uiso 1 1 calc R . .
C42 C 1.0318(5) 0.4221(4) 0.1248(4) 0.096(2) Uani 1 1 d U . .
H42A H 0.9757 0.4245 0.1016 0.144 Uiso 1 1 calc R . .
H42B H 1.0666 0.4699 0.1143 0.144 Uiso 1 1 calc R . .
H42C H 1.0227 0.4222 0.1696 0.144 Uiso 1 1 calc R . .
C43 C 1.1998(5) 0.3324(6) 0.1487(4) 0.121(3) Uani 1 1 d U . .
H43A H 1.1923 0.3216 0.1929 0.181 Uiso 1 1 calc R . .
H43B H 1.2237 0.3876 0.1438 0.181 Uiso 1 1 calc R . .
H43C H 1.2396 0.2917 0.1325 0.181 Uiso 1 1 calc R . .
C44 C 1.1137(6) 0.3367(6) 0.0181(3) 0.114(3) Uani 1 1 d U . .
H44A H 1.0591 0.3366 -0.0071 0.171 Uiso 1 1 calc R . .
H44B H 1.1499 0.2910 0.0053 0.171 Uiso 1 1 calc R . .
H44C H 1.1440 0.3887 0.0120 0.171 Uiso 1 1 calc R . .

loop_
_atom_site_aniso_label
_atom_site_aniso_U_11
_atom_site_aniso_U_22
_atom_site_aniso_U_33
_atom_site_aniso_U_23
_atom_site_aniso_U_13
_atom_site_aniso_U_12
Er1 0.03071(11) 0.03828(12) 0.04341(14) -0.00171(10) 0.00679(9) -0.00244(9)
Er2 0.02756(10) 0.05465(14) 0.03920(13) -0.00260(11) 0.00133(9) 0.00094(10)
Er3 0.03204(11) 0.04656(13) 0.04191(14) -0.00159(10) -0.00309(9) -0.00010(9)
Cl1 0.0415(7) 0.0555(8) 0.0518(8) -0.0110(6) 0.0088(6) -0.0131(6)
Cl2 0.0541(8) 0.0607(8) 0.0553(9) -0.0139(7) -0.0064(7) 0.0141(7)
Si1 0.0355(8) 0.0941(13) 0.0535(11) -0.0052(9) 0.0002(7) 0.0117(8)
Si2 0.0396(9) 0.0988(14) 0.0677(12) -0.0132(10) 0.0121(8) -0.0229(9)
O1 0.0304(15) 0.0422(18) 0.0409(18) -0.0013(14) 0.0015(13) -0.0005(14)
O2 0.053(2) 0.068(2) 0.053(2) -0.0146(19) 0.0153(18) -0.0070(18)
O3 0.063(2) 0.077(3) 0.054(2) -0.015(2) -0.0100(19) 0.003(2)
N1 0.042(2) 0.043(2) 0.068(3) 0.002(2) 0.004(2) 0.0030(18)
N2 0.037(2) 0.042(2) 0.090(3) 0.012(2) 0.007(2) -0.0086(18)
N3 0.043(2) 0.042(2) 0.049(2) -0.0006(19) -0.0013(19) 0.0062(17)
N4 0.045(2) 0.058(3) 0.057(3) 0.002(2) 0.002(2) -0.011(2)
N5 0.041(2) 0.053(3) 0.099(4) 0.018(3) 0.006(2) 0.005(2)
N6 0.037(2) 0.068(3) 0.048(2) 0.002(2) -0.0007(19) -0.0072(19)
N7 0.032(2) 0.075(3) 0.048(3) -0.009(2) 0.0013(19) -0.003(2)
C1 0.038(2) 0.050(3) 0.062(3) -0.002(2) 0.000(2) 0.003(2)
C2 0.048(3) 0.065(3) 0.115(5) -0.003(3) -0.011(3) 0.013(3)
C3 0.068(4) 0.054(3) 0.144(5) 0.000(4) -0.014(4) 0.015(3)
C4 0.063(3) 0.043(3) 0.114(5) 0.001(3) -0.003(3) -0.001(3)
C5 0.030(2) 0.057(3) 0.064(3) 0.002(3) 0.006(2) -0.003(2)
C6 0.056(4) 0.061(4) 0.184(6) 0.033(4) 0.006(4) -0.013(3)
C7 0.056(3) 0.057(3) 0.158(5) 0.022(4) 0.013(4) -0.009(3)
C8 0.053(3) 0.038(3) 0.069(3) 0.001(2) -0.004(3) 0.001(2)
C9 0.047(3) 0.039(3) 0.091(4) 0.015(3) 0.007(3) 0.004(2)
C10 0.055(3) 0.047(3) 0.070(3) 0.017(2) 0.021(3) 0.015(2)
C11 0.074(4) 0.071(4) 0.080(4) 0.028(3) 0.035(3) 0.018(3)
C12 0.099(5) 0.087(4) 0.058(4) 0.019(3) 0.024(3) 0.031(4)
C13 0.085(4) 0.086(4) 0.053(3) 0.006(3) 0.003(3) 0.021(3)
C14 0.065(3) 0.065(3) 0.052(3) 0.007(3) 0.003(3) 0.012(3)
C15 0.047(3) 0.047(3) 0.049(3) 0.009(2) 0.006(2) 0.013(2)
C16 0.037(2) 0.069(3) 0.057(3) -0.001(3) 0.003(2) -0.006(2)
C17 0.048(3) 0.090(4) 0.084(4) -0.002(4) 0.012(3) -0.015(3)
C18 0.067(4) 0.087(4) 0.108(5) -0.001(4) 0.016(4) -0.033(3)
C19 0.070(4) 0.066(3) 0.092(4) -0.002(3) 0.011(4) -0.015(3)
C20 0.041(3) 0.069(3) 0.079(4) 0.014(3) 0.001(3) 0.008(3)
C21 0.076(4) 0.065(4) 0.158(6) 0.027(4) 0.017(4) 0.015(3)
C22 0.065(4) 0.061(3) 0.114(5) 0.027(3) -0.001(3) 0.001(3)
C23 0.044(3) 0.054(3) 0.055(3) 0.008(2) 0.001(2) -0.014(2)
C24 0.049(3) 0.063(3) 0.071(3) 0.023(3) -0.001(3) -0.013(2)
C25 0.041(3) 0.096(4) 0.053(3) 0.018(3) -0.002(2) -0.017(3)
C26 0.053(4) 0.140(5) 0.056(4) 0.021(4) -0.003(3) -0.014(3)
C27 0.071(4) 0.178(6) 0.055(4) 0.003(4) 0.008(3) -0.007(4)
C28 0.059(4) 0.172(6) 0.060(4) -0.011(4) 0.017(3) 0.007(4)
C29 0.036(3) 0.140(5) 0.057(3) -0.004(4) 0.009(3) 0.005(3)
C30 0.035(2) 0.096(4) 0.045(3) 0.008(3) 0.007(2) -0.010(2)
C31 0.062(4) 0.126(5) 0.073(4) -0.026(4) 0.017(3) -0.007(4)
C32 0.084(4) 0.152(6) 0.076(4) -0.034(4) 0.023(4) 0.001(4)
C33 0.099(5) 0.116(5) 0.067(4) -0.033(4) 0.026(4) -0.032(4)
C34 0.082(4) 0.083(4) 0.066(4) -0.024(3) 0.019(3) -0.028(3)
C35 0.094(5) 0.116(5) 0.068(4) -0.017(4) -0.032(4) 0.016(4)
C36 0.126(6) 0.150(6) 0.136(6) -0.036(5) -0.060(5) -0.002(5)
C37 0.157(6) 0.122(6) 0.118(6) -0.044(5) -0.052(5) 0.007(5)
C38 0.112(5) 0.106(5) 0.090(5) -0.046(4) -0.022(4) 0.017(4)
C39 0.077(5) 0.081(5) 0.157(8) -0.003(5) -0.024(5) 0.016(4)
C40 0.105(6) 0.151(8) 0.079(5) 0.002(5) -0.033(5) 0.021(6)
C41 0.100(6) 0.142(8) 0.115(7) 0.008(6) 0.049(5) 0.055(6)
C42 0.082(5) 0.078(5) 0.132(7) -0.010(5) 0.032(5) -0.035(4)
C43 0.062(5) 0.172(9) 0.127(7) -0.016(7) -0.008(5) -0.046(5)
C44 0.122(7) 0.143(8) 0.081(5) -0.002(5) 0.039(5) -0.049(6)

_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
Er1 O1 2.105(3) . ?
Er1 N1 2.334(4) . ?
Er1 O2 2.388(4) . ?
Er1 N2 2.400(4) . ?
Er1 C8 2.647(5) . ?
Er1 N3 2.669(4) . ?
Er1 Cl1 2.7625(12) . ?
Er1 C9 2.796(5) . ?
Er1 C15 2.844(5) . ?
Er1 C10 2.930(5) . ?
Er1 Er2 3.4612(3) . ?
Er2 N7 2.252(4) . ?
Er2 O1 2.267(3) . ?
Er2 N6 2.426(4) . ?
Er2 N3 2.450(4) . ?
Er2 Cl1 2.6788(13) . ?
Er2 Cl2 2.7132(14) . ?
Er2 Si1 3.3517(16) . ?
Er2 Er3 3.4328(3) . ?
Er3 O1 2.080(3) . ?
Er3 N4 2.355(4) . ?
Er3 N5 2.373(4) . ?
Er3 O3 2.417(4) . ?
Er3 N6 2.627(4) . ?
Er3 C23 2.643(5) . ?
Er3 Cl2 2.7819(13) . ?
Er3 C30 2.792(5) . ?
Er3 C24 2.797(5) . ?
Er3 C25 2.902(6) . ?
Si1 N7 1.704(5) . ?
Si1 C39 1.851(7) . ?
Si1 C41 1.859(7) . ?
Si1 C40 1.874(7) . ?
Si2 N7 1.728(5) . ?
Si2 C42 1.852(7) . ?
Si2 C44 1.867(7) . ?
Si2 C43 1.876(7) . ?
O2 C34 1.432(6) . ?
O2 C31 1.439(7) . ?
O3 C38 1.434(8) . ?
O3 C35 1.436(7) . ?
N1 C4 1.348(7) . ?
N1 C1 1.390(6) . ?
N2 C5 1.290(6) . ?
N2 C6 1.460(7) . ?
N3 C8 1.378(6) . ?
N3 C15 1.392(7) . ?
N4 C19 1.343(7) . ?
N4 C16 1.378(7) . ?
N5 C20 1.278(7) . ?
N5 C21 1.487(8) . ?
N6 C23 1.395(7) . ?
N6 C30 1.396(7) . ?
C1 C2 1.373(7) . ?
C1 C5 1.408(7) . ?
C2 C3 1.371(9) . ?
C2 H2 0.9300 . ?
C3 C4 1.385(8) . ?
C3 H3 0.9300 . ?
C4 H4 0.9300 . ?
C5 H5 0.9300 . ?
C6 C7 1.362(8) . ?
C6 H6A 0.9700 . ?
C6 H6B 0.9700 . ?
C7 C9 1.495(8) . ?
C7 H7A 0.9700 . ?
C7 H7B 0.9700 . ?
C8 C9 1.369(8) . ?
C8 H8 0.9300 . ?
C9 C10 1.426(8) . ?
C10 C11 1.404(8) . ?
C10 C15 1.410(7) . ?
C11 C12 1.365(9) . ?
C11 H11 0.9300 . ?
C12 C13 1.394(9) . ?
C12 H12 0.9300 . ?
C13 C14 1.369(8) . ?
C13 H13 0.9300 . ?
C14 C15 1.398(7) . ?
C14 H14 0.9300 . ?
C16 C17 1.387(8) . ?
C16 C20 1.407(8) . ?
C17 C18 1.361(9) . ?
C17 H17 0.9300 . ?
C18 C19 1.390(9) . ?
C18 H18 0.9300 . ?
C19 H19 0.9300 . ?
C20 H20 0.9300 . ?
C21 C22 1.433(9) . ?
C21 H21A 0.9700 . ?
C21 H21B 0.9700 . ?
C22 C24 1.492(8) . ?
C22 H22A 0.9700 . ?
C22 H22B 0.9700 . ?
C23 C24 1.373(7) . ?
C23 H23 0.9300 . ?
C24 C25 1.415(9) . ?
C25 C26 1.414(9) . ?
C25 C30 1.429(8) . ?
C26 C27 1.347(10) . ?
C26 H26 0.9300 . ?
C27 C28 1.379(10) . ?
C27 H27 0.9300 . ?
C28 C29 1.374(9) . ?
C28 H28 0.9300 . ?
C29 C30 1.389(8) . ?
C29 H29 0.9300 . ?
C31 C32 1.440(9) . ?
C31 H31A 0.9700 . ?
C31 H31B 0.9700 . ?
C32 C33 1.449(9) . ?
C32 H32A 0.9700 . ?
C32 H32B 0.9700 . ?
C33 C34 1.492(9) . ?
C33 H33A 0.9700 . ?
C33 H33B 0.9700 . ?
C34 H34A 0.9700 . ?
C34 H34B 0.9700 . ?
C35 C36 1.429(10) . ?
C35 H35A 0.9700 . ?
C35 H35B 0.9700 . ?
C36 C37 1.456(11) . ?
C36 H36A 0.9700 . ?
C36 H36B 0.9700 . ?
C37 C38 1.421(9) . ?
C37 H37A 0.9700 . ?
C37 H37B 0.9700 . ?
C38 H38A 0.9700 . ?
C38 H38B 0.9700 . ?
C39 H39A 0.9600 . ?
C39 H39B 0.9600 . ?
C39 H39C 0.9600 . ?
C40 H40A 0.9600 . ?
C40 H40B 0.9600 . ?
C40 H40C 0.9600 . ?
C41 H41A 0.9600 . ?
C41 H41B 0.9600 . ?
C41 H41C 0.9600 . ?
C42 H42A 0.9600 . ?
C42 H42B 0.9600 . ?
C42 H42C 0.9600 . ?
C43 H43A 0.9600 . ?
C43 H43B 0.9600 . ?
C43 H43C 0.9600 . ?
C44 H44A 0.9600 . ?
C44 H44B 0.9600 . ?
C44 H44C 0.9600 . ?

loop_
_geom_angle_atom_site_label_1
_geom_angle_atom_site_label_2
_geom_angle_atom_site_label_3
_geom_angle
_geom_angle_site_symmetry_1
_geom_angle_site_symmetry_3
_geom_angle_publ_flag
O1 Er1 N1 94.22(14) . . ?
O1 Er1 O2 152.44(12) . . ?
N1 Er1 O2 81.34(15) . . ?
O1 Er1 N2 109.36(15) . . ?
N1 Er1 N2 70.46(14) . . ?
O2 Er1 N2 94.85(15) . . ?
O1 Er1 C8 73.81(16) . . ?
N1 Er1 C8 145.64(16) . . ?
O2 Er1 C8 123.56(16) . . ?
N2 Er1 C8 83.10(16) . . ?
O1 Er1 N3 73.15(12) . . ?
N1 Er1 N3 167.30(15) . . ?
O2 Er1 N3 110.47(13) . . ?
N2 Er1 N3 111.86(14) . . ?
C8 Er1 N3 30.06(14) . . ?
O1 Er1 Cl1 75.61(9) . . ?
N1 Er1 Cl1 103.36(11) . . ?
O2 Er1 Cl1 78.98(9) . . ?
N2 Er1 Cl1 172.02(12) . . ?
C8 Er1 Cl1 104.49(13) . . ?
N3 Er1 Cl1 75.32(9) . . ?
O1 Er1 C9 100.85(16) . . ?
N1 Er1 C9 134.32(16) . . ?
O2 Er1 C9 101.58(17) . . ?
N2 Er1 C9 63.87(15) . . ?
C8 Er1 C9 28.97(17) . . ?
N3 Er1 C9 49.82(15) . . ?
Cl1 Er1 C9 122.08(12) . . ?
O1 Er1 C15 101.45(14) . . ?
N1 Er1 C15 163.53(16) . . ?
O2 Er1 C15 82.42(15) . . ?
N2 Er1 C15 108.37(15) . . ?
C8 Er1 C15 46.58(17) . . ?
N3 Er1 C15 29.03(14) . . ?
Cl1 Er1 C15 76.06(12) . . ?
C9 Er1 C15 47.44(16) . . ?
O1 Er1 C10 118.39(14) . . ?
N1 Er1 C10 142.59(16) . . ?
O2 Er1 C10 77.30(15) . . ?
N2 Er1 C10 81.09(16) . . ?
C8 Er1 C10 46.53(18) . . ?
N3 Er1 C10 48.34(15) . . ?
Cl1 Er1 C10 102.25(12) . . ?
C9 Er1 C10 28.71(16) . . ?
C15 Er1 C10 28.21(15) . . ?
O1 Er1 Er2 39.34(8) . . ?
N1 Er1 Er2 124.85(11) . . ?
O2 Er1 Er2 124.22(9) . . ?
N2 Er1 Er2 138.16(12) . . ?
C8 Er1 Er2 63.87(13) . . ?
N3 Er1 Er2 44.85(9) . . ?
Cl1 Er1 Er2 49.44(3) . . ?
C9 Er1 Er2 91.44(13) . . ?
C15 Er1 Er2 67.54(11) . . ?
C10 Er1 Er2 92.55(11) . . ?
N7 Er2 O1 165.18(14) . . ?
N7 Er2 N6 94.41(15) . . ?
O1 Er2 N6 75.00(13) . . ?
N7 Er2 N3 115.89(15) . . ?
O1 Er2 N3 75.15(12) . . ?
N6 Er2 N3 149.71(13) . . ?
N7 Er2 Cl1 96.40(11) . . ?
O1 Er2 Cl1 75.00(8) . . ?
N6 Er2 Cl1 96.64(11) . . ?
N3 Er2 Cl1 80.51(10) . . ?
N7 Er2 Cl2 113.03(11) . . ?
O1 Er2 Cl2 75.80(8) . . ?
N6 Er2 Cl2 79.78(11) . . ?
N3 Er2 Cl2 88.06(10) . . ?
Cl1 Er2 Cl2 150.50(4) . . ?
N7 Er2 Si1 27.40(12) . . ?
O1 Er2 Si1 167.41(8) . . ?
N6 Er2 Si1 114.16(11) . . ?
N3 Er2 Si1 94.66(10) . . ?
Cl1 Er2 Si1 111.10(4) . . ?
Cl2 Er2 Si1 96.79(4) . . ?
N7 Er2 Er3 140.31(11) . . ?
O1 Er2 Er3 35.97(8) . . ?
N6 Er2 Er3 49.73(10) . . ?
N3 Er2 Er3 101.24(9) . . ?
Cl1 Er2 Er3 103.35(3) . . ?
Cl2 Er2 Er3 52.24(3) . . ?
Si1 Er2 Er3 143.97(3) . . ?
N7 Er2 Er1 143.71(11) . . ?
O1 Er2 Er1 36.06(8) . . ?
N6 Er2 Er1 104.79(11) . . ?
N3 Er2 Er1 50.18(9) . . ?
Cl1 Er2 Er1 51.58(3) . . ?
Cl2 Er2 Er1 100.66(3) . . ?
Si1 Er2 Er1 139.50(3) . . ?
Er3 Er2 Er1 71.961(8) . . ?
O1 Er3 N4 92.27(14) . . ?
O1 Er3 N5 100.46(16) . . ?
N4 Er3 N5 70.79(16) . . ?
O1 Er3 O3 154.85(13) . . ?
N4 Er3 O3 78.83(15) . . ?
N5 Er3 O3 98.71(16) . . ?
O1 Er3 N6 73.79(13) . . ?
N4 Er3 N6 166.03(15) . . ?
N5 Er3 N6 110.37(15) . . ?
O3 Er3 N6 114.18(14) . . ?
O1 Er3 C23 74.18(15) . . ?
N4 Er3 C23 145.04(17) . . ?
N5 Er3 C23 80.03(17) . . ?
O3 Er3 C23 125.45(16) . . ?
N6 Er3 C23 30.70(15) . . ?
O1 Er3 Cl2 77.12(9) . . ?
N4 Er3 Cl2 102.85(12) . . ?
N5 Er3 Cl2 173.23(12) . . ?
O3 Er3 Cl2 81.97(10) . . ?
N6 Er3 Cl2 75.20(10) . . ?
C23 Er3 Cl2 105.13(12) . . ?
O1 Er3 C30 102.67(14) . . ?
N4 Er3 C30 163.91(17) . . ?
N5 Er3 C30 111.58(17) . . ?
O3 Er3 C30 85.10(16) . . ?
N6 Er3 C30 29.65(14) . . ?
C23 Er3 C30 47.75(19) . . ?
Cl2 Er3 C30 75.18(14) . . ?
O1 Er3 C24 101.30(16) . . ?
N4 Er3 C24 134.88(17) . . ?
N5 Er3 C24 64.52(17) . . ?
O3 Er3 C24 101.58(17) . . ?
N6 Er3 C24 50.26(15) . . ?
C23 Er3 C24 29.06(16) . . ?
Cl2 Er3 C24 122.03(13) . . ?
C30 Er3 C24 48.17(19) . . ?
O1 Er3 C25 119.48(14) . . ?
N4 Er3 C25 143.19(15) . . ?
N5 Er3 C25 84.58(18) . . ?
O3 Er3 C25 78.38(17) . . ?
N6 Er3 C25 49.13(14) . . ?
C23 Er3 C25 47.08(18) . . ?
Cl2 Er3 C25 102.13(14) . . ?
C30 Er3 C25 29.00(16) . . ?
C24 Er3 C25 28.67(18) . . ?
O1 Er3 Er2 39.81(8) . . ?
N4 Er3 Er2 123.42(11) . . ?
N5 Er3 Er2 130.78(13) . . ?
O3 Er3 Er2 129.10(9) . . ?
N6 Er3 Er2 44.78(10) . . ?
C23 Er3 Er2 64.07(11) . . ?
Cl2 Er3 Er2 50.45(3) . . ?
C30 Er3 Er2 67.98(11) . . ?
C24 Er3 Er2 91.66(12) . . ?
C25 Er3 Er2 93.36(11) . . ?
Er2 Cl1 Er1 78.98(3) . . ?
Er2 Cl2 Er3 77.31(4) . . ?
N7 Si1 C39 110.4(3) . . ?
N7 Si1 C41 114.9(3) . . ?
C39 Si1 C41 106.2(4) . . ?
N7 Si1 C40 114.3(3) . . ?
C39 Si1 C40 103.4(4) . . ?
C41 Si1 C40 106.7(4) . . ?
N7 Si1 Er2 37.48(14) . . ?
C39 Si1 Er2 73.6(2) . . ?
C41 Si1 Er2 134.1(3) . . ?
C40 Si1 Er2 118.1(3) . . ?
N7 Si2 C42 114.4(3) . . ?
N7 Si2 C44 112.5(3) . . ?
C42 Si2 C44 105.4(4) . . ?
N7 Si2 C43 113.4(3) . . ?
C42 Si2 C43 104.3(4) . . ?
C44 Si2 C43 106.0(4) . . ?
Er3 O1 Er1 150.84(16) . . ?
Er3 O1 Er2 104.23(13) . . ?
Er1 O1 Er2 104.60(13) . . ?
C34 O2 C31 108.5(5) . . ?
C34 O2 Er1 132.3(3) . . ?
C31 O2 Er1 117.5(3) . . ?
C38 O3 C35 107.4(5) . . ?
C38 O3 Er3 130.5(4) . . ?
C35 O3 Er3 118.2(4) . . ?
C4 N1 C1 105.1(4) . . ?
C4 N1 Er1 139.7(4) . . ?
C1 N1 Er1 115.1(3) . . ?
C5 N2 C6 118.5(5) . . ?
C5 N2 Er1 115.0(3) . . ?
C6 N2 Er1 126.5(4) . . ?
C8 N3 C15 103.7(5) . . ?
C8 N3 Er2 116.5(3) . . ?
C15 N3 Er2 132.5(3) . . ?
C8 N3 Er1 74.1(3) . . ?
C15 N3 Er1 82.5(3) . . ?
Er2 N3 Er1 84.97(12) . . ?
C19 N4 C16 106.1(5) . . ?
C19 N4 Er3 140.5(4) . . ?
C16 N4 Er3 113.4(3) . . ?
C20 N5 C21 118.8(5) . . ?
C20 N5 Er3 115.1(4) . . ?
C21 N5 Er3 124.0(4) . . ?
C23 N6 C30 104.3(5) . . ?
C23 N6 Er2 116.4(4) . . ?
C30 N6 Er2 132.3(4) . . ?
C23 N6 Er3 75.2(3) . . ?
C30 N6 Er3 81.7(3) . . ?
Er2 N6 Er3 85.49(13) . . ?
Si1 N7 Si2 121.1(2) . . ?
Si1 N7 Er2 115.1(2) . . ?
Si2 N7 Er2 123.7(2) . . ?
C2 C1 N1 110.4(5) . . ?
C2 C1 C5 131.3(5) . . ?
N1 C1 C5 118.2(4) . . ?
C3 C2 C1 106.5(6) . . ?
C3 C2 H2 126.8 . . ?
C1 C2 H2 126.7 . . ?
C2 C3 C4 107.3(6) . . ?
C2 C3 H3 126.3 . . ?
C4 C3 H3 126.3 . . ?
N1 C4 C3 110.7(6) . . ?
N1 C4 H4 124.7 . . ?
C3 C4 H4 124.7 . . ?
N2 C5 C1 121.0(5) . . ?
N2 C5 H5 119.5 . . ?
C1 C5 H5 119.5 . . ?
C7 C6 N2 117.5(6) . . ?
C7 C6 H6A 107.9 . . ?
N2 C6 H6A 107.9 . . ?
C7 C6 H6B 107.9 . . ?
N2 C6 H6B 107.9 . . ?
H6A C6 H6B 107.2 . . ?
C6 C7 C9 117.3(6) . . ?
C6 C7 H7A 108.0 . . ?
C9 C7 H7A 108.0 . . ?
C6 C7 H7B 108.0 . . ?
C9 C7 H7B 108.0 . . ?
H7A C7 H7B 107.2 . . ?
C9 C8 N3 114.0(5) . . ?
C9 C8 Er1 81.6(3) . . ?
N3 C8 Er1 75.9(3) . . ?
C9 C8 H8 123.0 . . ?
N3 C8 H8 123.0 . . ?
Er1 C8 H8 111.0 . . ?
C8 C9 C10 105.1(5) . . ?
C8 C9 C7 125.8(6) . . ?
C10 C9 C7 129.0(6) . . ?
C8 C9 Er1 69.5(3) . . ?
C10 C9 Er1 80.9(3) . . ?
C7 C9 Er1 111.3(4) . . ?
C11 C10 C15 119.6(6) . . ?
C11 C10 C9 134.0(6) . . ?
C15 C10 C9 106.4(5) . . ?
C11 C10 Er1 123.2(4) . . ?
C15 C10 Er1 72.5(3) . . ?
C9 C10 Er1 70.4(3) . . ?
C12 C11 C10 118.7(7) . . ?
C12 C11 H11 120.6 . . ?
C10 C11 H11 120.6 . . ?
C11 C12 C13 120.8(7) . . ?
C11 C12 H12 119.6 . . ?
C13 C12 H12 119.6 . . ?
C14 C13 C12 122.3(7) . . ?
C14 C13 H13 118.8 . . ?
C12 C13 H13 118.8 . . ?
C13 C14 C15 117.4(6) . . ?
C13 C14 H14 121.3 . . ?
C15 C14 H14 121.3 . . ?
N3 C15 C14 128.2(5) . . ?
N3 C15 C10 110.7(5) . . ?
C14 C15 C10 121.1(6) . . ?
N3 C15 Er1 68.5(2) . . ?
C14 C15 Er1 119.5(4) . . ?
C10 C15 Er1 79.3(3) . . ?
N4 C16 C17 110.1(5) . . ?
N4 C16 C20 118.9(5) . . ?
C17 C16 C20 130.8(6) . . ?
C18 C17 C16 106.0(6) . . ?
C18 C17 H17 127.0 . . ?
C16 C17 H17 127.0 . . ?
C17 C18 C19 108.1(6) . . ?
C17 C18 H18 125.9 . . ?
C19 C18 H18 125.9 . . ?
N4 C19 C18 109.7(6) . . ?
N4 C19 H19 125.2 . . ?
C18 C19 H19 125.2 . . ?
N5 C20 C16 121.3(5) . . ?
N5 C20 H20 119.4 . . ?
C16 C20 H20 119.4 . . ?
C22 C21 N5 113.6(6) . . ?
C22 C21 H21A 108.8 . . ?
N5 C21 H21A 108.8 . . ?
C22 C21 H21B 108.8 . . ?
N5 C21 H21B 108.8 . . ?
H21A C21 H21B 107.7 . . ?
C21 C22 C24 112.8(5) . . ?
C21 C22 H22A 109.0 . . ?
C24 C22 H22A 109.0 . . ?
C21 C22 H22B 109.0 . . ?
C24 C22 H22B 109.0 . . ?
H22A C22 H22B 107.8 . . ?
C24 C23 N6 113.0(6) . . ?
C24 C23 Er3 81.7(3) . . ?
N6 C23 Er3 74.1(3) . . ?
C24 C23 H23 123.5 . . ?
N6 C23 H23 123.5 . . ?
Er3 C23 H23 112.3 . . ?
C23 C24 C25 106.0(5) . . ?
C23 C24 C22 127.6(7) . . ?
C25 C24 C22 126.0(6) . . ?
C23 C24 Er3 69.2(3) . . ?
C25 C24 Er3 79.8(3) . . ?
C22 C24 Er3 111.3(4) . . ?
C26 C25 C24 134.1(6) . . ?
C26 C25 C30 119.3(7) . . ?
C24 C25 C30 106.6(5) . . ?
C26 C25 Er3 122.3(4) . . ?
C24 C25 Er3 71.5(3) . . ?
C30 C25 Er3 71.2(3) . . ?
C27 C26 C25 117.8(7) . . ?
C27 C26 H26 121.1 . . ?
C25 C26 H26 121.1 . . ?
C26 C27 C28 123.0(7) . . ?
C26 C27 H27 118.5 . . ?
C28 C27 H27 118.5 . . ?
C29 C28 C27 121.5(8) . . ?
C29 C28 H28 119.2 . . ?
C27 C28 H28 119.2 . . ?
C28 C29 C30 117.7(7) . . ?
C28 C29 H29 121.1 . . ?
C30 C29 H29 121.1 . . ?
C29 C30 N6 129.4(6) . . ?
C29 C30 C25 120.7(6) . . ?
N6 C30 C25 109.9(5) . . ?
C29 C30 Er3 117.8(4) . . ?
N6 C30 Er3 68.6(3) . . ?
C25 C30 Er3 79.8(3) . . ?
O2 C31 C32 107.4(6) . . ?
O2 C31 H31A 110.2 . . ?
C32 C31 H31A 110.2 . . ?
O2 C31 H31B 110.2 . . ?
C32 C31 H31B 110.2 . . ?
H31A C31 H31B 108.5 . . ?
C31 C32 C33 108.8(6) . . ?
C31 C32 H32A 109.9 . . ?
C33 C32 H32A 109.9 . . ?
C31 C32 H32B 109.9 . . ?
C33 C32 H32B 109.9 . . ?
H32A C32 H32B 108.3 . . ?
C32 C33 C34 105.0(6) . . ?
C32 C33 H33A 110.7 . . ?
C34 C33 H33A 110.7 . . ?
C32 C33 H33B 110.7 . . ?
C34 C33 H33B 110.7 . . ?
H33A C33 H33B 108.8 . . ?
O2 C34 C33 106.3(5) . . ?
O2 C34 H34A 110.5 . . ?
C33 C34 H34A 110.5 . . ?
O2 C34 H34B 110.5 . . ?
C33 C34 H34B 110.5 . . ?
H34A C34 H34B 108.7 . . ?
C36 C35 O3 106.9(7) . . ?
C36 C35 H35A 110.3 . . ?
O3 C35 H35A 110.3 . . ?
C36 C35 H35B 110.3 . . ?
O3 C35 H35B 110.3 . . ?
H35A C35 H35B 108.6 . . ?
C35 C36 C37 107.7(7) . . ?
C35 C36 H36A 110.2 . . ?
C37 C36 H36A 110.2 . . ?
C35 C36 H36B 110.2 . . ?
C37 C36 H36B 110.2 . . ?
H36A C36 H36B 108.5 . . ?
C38 C37 C36 106.0(7) . . ?
C38 C37 H37A 110.5 . . ?
C36 C37 H37A 110.5 . . ?
C38 C37 H37B 110.5 . . ?
C36 C37 H37B 110.5 . . ?
H37A C37 H37B 108.7 . . ?
C37 C38 O3 109.1(7) . . ?
C37 C38 H38A 109.9 . . ?
O3 C38 H38A 109.9 . . ?
C37 C38 H38B 109.9 . . ?
O3 C38 H38B 109.9 . . ?
H38A C38 H38B 108.3 . . ?
Si1 C39 H39A 109.5 . . ?
Si1 C39 H39B 109.5 . . ?
H39A C39 H39B 109.5 . . ?
Si1 C39 H39C 109.5 . . ?
H39A C39 H39C 109.5 . . ?
H39B C39 H39C 109.5 . . ?
Si1 C40 H40A 109.5 . . ?
Si1 C40 H40B 109.5 . . ?
H40A C40 H40B 109.5 . . ?
Si1 C40 H40C 109.5 . . ?
H40A C40 H40C 109.5 . . ?
H40B C40 H40C 109.5 . . ?
Si1 C41 H41A 109.5 . . ?
Si1 C41 H41B 109.5 . . ?
H41A C41 H41B 109.5 . . ?
Si1 C41 H41C 109.5 . . ?
H41A C41 H41C 109.5 . . ?
H41B C41 H41C 109.5 . . ?
Si2 C42 H42A 109.5 . . ?
Si2 C42 H42B 109.5 . . ?
H42A C42 H42B 109.5 . . ?
Si2 C42 H42C 109.5 . . ?
H42A C42 H42C 109.5 . . ?
H42B C42 H42C 109.5 . . ?
Si2 C43 H43A 109.5 . . ?
Si2 C43 H43B 109.5 . . ?
H43A C43 H43B 109.5 . . ?
Si2 C43 H43C 109.5 . . ?
H43A C43 H43C 109.5 . . ?
H43B C43 H43C 109.5 . . ?
Si2 C44 H44A 109.5 . . ?
Si2 C44 H44B 109.5 . . ?
H44A C44 H44B 109.5 . . ?
Si2 C44 H44C 109.5 . . ?
H44A C44 H44C 109.5 . . ?
H44B C44 H44C 109.5 . . ?

loop_
_geom_torsion_atom_site_label_1
_geom_torsion_atom_site_label_2
_geom_torsion_atom_site_label_3
_geom_torsion_atom_site_label_4
_geom_torsion
_geom_torsion_site_symmetry_1
_geom_torsion_site_symmetry_2
_geom_torsion_site_symmetry_3
_geom_torsion_site_symmetry_4
_geom_torsion_publ_flag
O1 Er1 Er2 N7 154.8(2) . . . . ?
N1 Er1 Er2 N7 109.8(2) . . . . ?
O2 Er1 Er2 N7 5.3(2) . . . . ?
N2 Er1 Er2 N7 -150.6(3) . . . . ?
C8 Er1 Er2 N7 -109.0(2) . . . . ?
N3 Er1 Er2 N7 -79.9(2) . . . . ?
Cl1 Er1 Er2 N7 32.9(2) . . . . ?
C9 Er1 Er2 N7 -99.8(2) . . . . ?
C15 Er1 Er2 N7 -57.7(2) . . . . ?
C10 Er1 Er2 N7 -71.1(2) . . . . ?
N1 Er1 Er2 O1 -44.92(18) . . . . ?
O2 Er1 Er2 O1 -149.49(17) . . . . ?
N2 Er1 Er2 O1 54.7(2) . . . . ?
C8 Er1 Er2 O1 96.23(19) . . . . ?
N3 Er1 Er2 O1 125.32(18) . . . . ?
Cl1 Er1 Er2 O1 -121.89(13) . . . . ?
C9 Er1 Er2 O1 105.44(18) . . . . ?
C15 Er1 Er2 O1 147.50(18) . . . . ?
C10 Er1 Er2 O1 134.14(18) . . . . ?
O1 Er1 Er2 N6 35.15(16) . . . . ?
N1 Er1 Er2 N6 -9.77(17) . . . . ?
O2 Er1 Er2 N6 -114.34(16) . . . . ?
N2 Er1 Er2 N6 89.82(19) . . . . ?
C8 Er1 Er2 N6 131.39(17) . . . . ?
N3 Er1 Er2 N6 160.48(16) . . . . ?
Cl1 Er1 Er2 N6 -86.74(11) . . . . ?
C9 Er1 Er2 N6 140.60(17) . . . . ?
C15 Er1 Er2 N6 -177.35(16) . . . . ?
C10 Er1 Er2 N6 169.30(17) . . . . ?
O1 Er1 Er2 N3 -125.32(18) . . . . ?
N1 Er1 Er2 N3 -170.24(18) . . . . ?
O2 Er1 Er2 N3 85.19(17) . . . . ?
N2 Er1 Er2 N3 -70.7(2) . . . . ?
C8 Er1 Er2 N3 -29.09(18) . . . . ?
Cl1 Er1 Er2 N3 112.79(13) . . . . ?
C9 Er1 Er2 N3 -19.88(18) . . . . ?
C15 Er1 Er2 N3 22.18(17) . . . . ?
C10 Er1 Er2 N3 8.82(18) . . . . ?
O1 Er1 Er2 Cl1 121.89(13) . . . . ?
N1 Er1 Er2 Cl1 76.97(13) . . . . ?
O2 Er1 Er2 Cl1 -27.60(12) . . . . ?
N2 Er1 Er2 Cl1 176.55(17) . . . . ?
C8 Er1 Er2 Cl1 -141.88(14) . . . . ?
N3 Er1 Er2 Cl1 -112.79(13) . . . . ?
C9 Er1 Er2 Cl1 -132.67(14) . . . . ?
C15 Er1 Er2 Cl1 -90.61(13) . . . . ?
C10 Er1 Er2 Cl1 -103.97(13) . . . . ?
O1 Er1 Er2 Cl2 -46.97(13) . . . . ?
N1 Er1 Er2 Cl2 -91.89(13) . . . . ?
O2 Er1 Er2 Cl2 163.54(12) . . . . ?
N2 Er1 Er2 Cl2 7.70(16) . . . . ?
C8 Er1 Er2 Cl2 49.27(14) . . . . ?
N3 Er1 Er2 Cl2 78.35(13) . . . . ?
Cl1 Er1 Er2 Cl2 -168.86(5) . . . . ?
C9 Er1 Er2 Cl2 58.48(14) . . . . ?
C15 Er1 Er2 Cl2 100.53(13) . . . . ?
C10 Er1 Er2 Cl2 87.18(13) . . . . ?
O1 Er1 Er2 Si1 -160.90(14) . . . . ?
N1 Er1 Er2 Si1 154.18(14) . . . . ?
O2 Er1 Er2 Si1 49.61(13) . . . . ?
N2 Er1 Er2 Si1 -106.24(17) . . . . ?
C8 Er1 Er2 Si1 -64.67(15) . . . . ?
N3 Er1 Er2 Si1 -35.58(13) . . . . ?
Cl1 Er1 Er2 Si1 77.21(6) . . . . ?
C9 Er1 Er2 Si1 -55.46(14) . . . . ?
C15 Er1 Er2 Si1 -13.40(13) . . . . ?
C10 Er1 Er2 Si1 -26.76(14) . . . . ?
O1 Er1 Er2 Er3 -2.74(13) . . . . ?
N1 Er1 Er2 Er3 -47.66(13) . . . . ?
O2 Er1 Er2 Er3 -152.23(11) . . . . ?
N2 Er1 Er2 Er3 51.92(16) . . . . ?
C8 Er1 Er2 Er3 93.49(14) . . . . ?
N3 Er1 Er2 Er3 122.58(12) . . . . ?
Cl1 Er1 Er2 Er3 -124.63(4) . . . . ?
C9 Er1 Er2 Er3 102.70(13) . . . . ?
C15 Er1 Er2 Er3 144.76(12) . . . . ?
C10 Er1 Er2 Er3 131.40(13) . . . . ?
N7 Er2 Er3 O1 -156.5(2) . . . . ?
N6 Er2 Er3 O1 -126.15(19) . . . . ?
N3 Er2 Er3 O1 44.04(16) . . . . ?
Cl1 Er2 Er3 O1 -38.75(13) . . . . ?
Cl2 Er2 Er3 O1 122.63(13) . . . . ?
Si1 Er2 Er3 O1 158.49(14) . . . . ?
Er1 Er2 Er3 O1 2.75(13) . . . . ?
N7 Er2 Er3 N4 159.4(2) . . . . ?
O1 Er2 Er3 N4 -44.13(19) . . . . ?
N6 Er2 Er3 N4 -170.3(2) . . . . ?
N3 Er2 Er3 N4 -0.10(17) . . . . ?
Cl1 Er2 Er3 N4 -82.88(14) . . . . ?
Cl2 Er2 Er3 N4 78.50(14) . . . . ?
Si1 Er2 Er3 N4 114.36(15) . . . . ?
Er1 Er2 Er3 N4 -41.39(14) . . . . ?
N7 Er2 Er3 N5 -107.8(2) . . . . ?
O1 Er2 Er3 N5 48.7(2) . . . . ?
N6 Er2 Er3 N5 -77.5(2) . . . . ?
N3 Er2 Er3 N5 92.69(18) . . . . ?
Cl1 Er2 Er3 N5 9.91(16) . . . . ?
Cl2 Er2 Er3 N5 171.29(16) . . . . ?
Si1 Er2 Er3 N5 -152.85(17) . . . . ?
Er1 Er2 Er3 N5 51.40(16) . . . . ?
N7 Er2 Er3 O3 55.7(2) . . . . ?
O1 Er2 Er3 O3 -147.85(18) . . . . ?
N6 Er2 Er3 O3 86.0(2) . . . . ?
N3 Er2 Er3 O3 -103.82(16) . . . . ?
Cl1 Er2 Er3 O3 173.40(13) . . . . ?
Cl2 Er2 Er3 O3 -25.22(14) . . . . ?
Si1 Er2 Er3 O3 10.64(15) . . . . ?
Er1 Er2 Er3 O3 -145.11(13) . . . . ?
N7 Er2 Er3 N6 -30.3(2) . . . . ?
O1 Er2 Er3 N6 126.15(19) . . . . ?
N3 Er2 Er3 N6 170.18(18) . . . . ?
Cl1 Er2 Er3 N6 87.40(15) . . . . ?
Cl2 Er2 Er3 N6 -111.22(15) . . . . ?
Si1 Er2 Er3 N6 -75.36(16) . . . . ?
Er1 Er2 Er3 N6 128.89(15) . . . . ?
N7 Er2 Er3 C23 -60.2(2) . . . . ?
O1 Er2 Er3 C23 96.30(19) . . . . ?
N6 Er2 Er3 C23 -29.8(2) . . . . ?
N3 Er2 Er3 C23 140.34(18) . . . . ?
Cl1 Er2 Er3 C23 57.56(15) . . . . ?
Cl2 Er2 Er3 C23 -141.06(16) . . . . ?
Si1 Er2 Er3 C23 -105.20(16) . . . . ?
Er1 Er2 Er3 C23 99.05(15) . . . . ?
N7 Er2 Er3 Cl2 80.89(18) . . . . ?
O1 Er2 Er3 Cl2 -122.63(13) . . . . ?
N6 Er2 Er3 Cl2 111.22(15) . . . . ?
N3 Er2 Er3 Cl2 -78.59(11) . . . . ?
Cl1 Er2 Er3 Cl2 -161.38(5) . . . . ?
Si1 Er2 Er3 Cl2 35.86(7) . . . . ?
Er1 Er2 Er3 Cl2 -119.89(4) . . . . ?
N7 Er2 Er3 C30 -7.7(2) . . . . ?
O1 Er2 Er3 C30 148.73(19) . . . . ?
N6 Er2 Er3 C30 22.6(2) . . . . ?
N3 Er2 Er3 C30 -167.23(18) . . . . ?
Cl1 Er2 Er3 C30 109.99(15) . . . . ?
Cl2 Er2 Er3 C30 -88.63(15) . . . . ?
Si1 Er2 Er3 C30 -52.77(16) . . . . ?
Er1 Er2 Er3 C30 151.48(15) . . . . ?
N7 Er2 Er3 C24 -50.7(2) . . . . ?
O1 Er2 Er3 C24 105.74(19) . . . . ?
N6 Er2 Er3 C24 -20.4(2) . . . . ?
N3 Er2 Er3 C24 149.78(18) . . . . ?
Cl1 Er2 Er3 C24 67.00(15) . . . . ?
Cl2 Er2 Er3 C24 -131.62(15) . . . . ?
Si1 Er2 Er3 C24 -95.76(16) . . . . ?
Er1 Er2 Er3 C24 108.49(15) . . . . ?
N7 Er2 Er3 C25 -22.1(2) . . . . ?
O1 Er2 Er3 C25 134.40(19) . . . . ?
N6 Er2 Er3 C25 8.2(2) . . . . ?
N3 Er2 Er3 C25 178.43(17) . . . . ?
Cl1 Er2 Er3 C25 95.65(15) . . . . ?
Cl2 Er2 Er3 C25 -102.97(15) . . . . ?
Si1 Er2 Er3 C25 -67.11(16) . . . . ?
Er1 Er2 Er3 C25 137.14(14) . . . . ?
N7 Er2 Cl1 Er1 -161.14(12) . . . . ?
O1 Er2 Cl1 Er1 31.16(8) . . . . ?
N6 Er2 Cl1 Er1 103.64(10) . . . . ?
N3 Er2 Cl1 Er1 -45.89(10) . . . . ?
Cl2 Er2 Cl1 Er1 22.69(10) . . . . ?
Si1 Er2 Cl1 Er1 -137.25(4) . . . . ?
Er3 Er2 Cl1 Er1 53.52(3) . . . . ?
O1 Er1 Cl1 Er2 -33.76(8) . . . . ?
N1 Er1 Cl1 Er2 -124.74(12) . . . . ?
O2 Er1 Cl1 Er2 157.03(10) . . . . ?
N2 Er1 Cl1 Er2 -163.2(8) . . . . ?
C8 Er1 Cl1 Er2 34.92(14) . . . . ?
N3 Er1 Cl1 Er2 42.23(10) . . . . ?
C9 Er1 Cl1 Er2 60.17(17) . . . . ?
C15 Er1 Cl1 Er2 72.20(12) . . . . ?
C10 Er1 Cl1 Er2 82.77(13) . . . . ?
N7 Er2 Cl2 Er3 -136.75(13) . . . . ?
O1 Er2 Cl2 Er3 30.68(8) . . . . ?
N6 Er2 Cl2 Er3 -46.28(11) . . . . ?
N3 Er2 Cl2 Er3 105.85(10) . . . . ?
Cl1 Er2 Cl2 Er3 39.12(10) . . . . ?
Si1 Er2 Cl2 Er3 -159.69(4) . . . . ?
Er1 Er2 Cl2 Er3 57.02(3) . . . . ?
O1 Er3 Cl2 Er2 -33.58(9) . . . . ?
N4 Er3 Cl2 Er2 -122.98(12) . . . . ?
N5 Er3 Cl2 Er2 -103.2(11) . . . . ?
O3 Er3 Cl2 Er2 160.49(11) . . . . ?
N6 Er3 Cl2 Er2 42.78(10) . . . . ?
C23 Er3 Cl2 Er2 35.84(14) . . . . ?
C30 Er3 Cl2 Er2 73.47(13) . . . . ?
C24 Er3 Cl2 Er2 61.81(17) . . . . ?
C25 Er3 Cl2 Er2 84.28(13) . . . . ?
O1 Er2 Si1 N7 -178.1(4) . . . . ?
N6 Er2 Si1 N7 47.0(3) . . . . ?
N3 Er2 Si1 N7 -142.6(3) . . . . ?
Cl1 Er2 Si1 N7 -61.0(3) . . . . ?
Cl2 Er2 Si1 N7 128.8(3) . . . . ?
Er3 Er2 Si1 N7 101.0(3) . . . . ?
Er1 Er2 Si1 N7 -116.0(3) . . . . ?
N7 Er2 Si1 C39 -169.2(4) . . . . ?
O1 Er2 Si1 C39 12.7(5) . . . . ?
N6 Er2 Si1 C39 -122.3(3) . . . . ?
N3 Er2 Si1 C39 48.1(3) . . . . ?
Cl1 Er2 Si1 C39 129.7(3) . . . . ?
Cl2 Er2 Si1 C39 -40.5(3) . . . . ?
Er3 Er2 Si1 C39 -68.3(3) . . . . ?
Er1 Er2 Si1 C39 74.8(3) . . . . ?
N7 Er2 Si1 C41 -72.4(5) . . . . ?
O1 Er2 Si1 C41 109.5(6) . . . . ?
N6 Er2 Si1 C41 -25.4(4) . . . . ?
N3 Er2 Si1 C41 145.0(4) . . . . ?
Cl1 Er2 Si1 C41 -133.4(4) . . . . ?
Cl2 Er2 Si1 C41 56.4(4) . . . . ?
Er3 Er2 Si1 C41 28.6(4) . . . . ?
Er1 Er2 Si1 C41 171.6(4) . . . . ?
N7 Er2 Si1 C40 94.0(4) . . . . ?
O1 Er2 Si1 C40 -84.0(5) . . . . ?
N6 Er2 Si1 C40 141.0(3) . . . . ?
N3 Er2 Si1 C40 -48.6(3) . . . . ?
Cl1 Er2 Si1 C40 33.0(3) . . . . ?
Cl2 Er2 Si1 C40 -137.2(3) . . . . ?
Er3 Er2 Si1 C40 -165.0(3) . . . . ?
Er1 Er2 Si1 C40 -22.0(3) . . . . ?
N4 Er3 O1 Er1 -26.7(3) . . . . ?
N5 Er3 O1 Er1 44.2(3) . . . . ?
O3 Er3 O1 Er1 -94.9(4) . . . . ?
N6 Er3 O1 Er1 152.5(3) . . . . ?
C23 Er3 O1 Er1 120.5(3) . . . . ?
Cl2 Er3 O1 Er1 -129.4(3) . . . . ?
C30 Er3 O1 Er1 159.3(3) . . . . ?
C24 Er3 O1 Er1 110.0(3) . . . . ?
C25 Er3 O1 Er1 133.8(3) . . . . ?
Er2 Er3 O1 Er1 -171.2(4) . . . . ?
N4 Er3 O1 Er2 144.43(15) . . . . ?
N5 Er3 O1 Er2 -144.69(14) . . . . ?
O3 Er3 O1 Er2 76.3(3) . . . . ?
N6 Er3 O1 Er2 -36.33(13) . . . . ?
C23 Er3 O1 Er2 -68.30(16) . . . . ?
Cl2 Er3 O1 Er2 41.77(9) . . . . ?
C30 Er3 O1 Er2 -29.55(18) . . . . ?
C24 Er3 O1 Er2 -78.84(17) . . . . ?
C25 Er3 O1 Er2 -55.0(2) . . . . ?
N1 Er1 O1 Er3 -44.4(3) . . . . ?
O2 Er1 O1 Er3 -123.7(3) . . . . ?
N2 Er1 O1 Er3 26.4(3) . . . . ?
C8 Er1 O1 Er3 102.8(3) . . . . ?
N3 Er1 O1 Er3 134.2(3) . . . . ?
Cl1 Er1 O1 Er3 -147.1(3) . . . . ?
C9 Er1 O1 Er3 92.3(3) . . . . ?
C15 Er1 O1 Er3 140.7(3) . . . . ?
C10 Er1 O1 Er3 116.6(3) . . . . ?
Er2 Er1 O1 Er3 171.1(4) . . . . ?
N1 Er1 O1 Er2 144.47(14) . . . . ?
O2 Er1 O1 Er2 65.1(3) . . . . ?
N2 Er1 O1 Er2 -144.77(13) . . . . ?
C8 Er1 O1 Er2 -68.34(15) . . . . ?
N3 Er1 O1 Er2 -36.96(12) . . . . ?
Cl1 Er1 O1 Er2 41.75(9) . . . . ?
C9 Er1 O1 Er2 -78.85(16) . . . . ?
C15 Er1 O1 Er2 -30.44(16) . . . . ?
C10 Er1 O1 Er2 -54.58(19) . . . . ?
N7 Er2 O1 Er3 85.1(5) . . . . ?
N6 Er2 O1 Er3 39.63(14) . . . . ?
N3 Er2 O1 Er3 -135.14(15) . . . . ?
Cl1 Er2 O1 Er3 140.92(12) . . . . ?
Cl2 Er2 O1 Er3 -43.38(10) . . . . ?
Si1 Er2 O1 Er3 -98.4(4) . . . . ?
Er1 Er2 O1 Er3 -175.6(2) . . . . ?
N7 Er2 O1 Er1 -99.4(5) . . . . ?
N6 Er2 O1 Er1 -144.81(16) . . . . ?
N3 Er2 O1 Er1 40.42(13) . . . . ?
Cl1 Er2 O1 Er1 -43.52(9) . . . . ?
Cl2 Er2 O1 Er1 132.19(12) . . . . ?
Si1 Er2 O1 Er1 77.1(4) . . . . ?
Er3 Er2 O1 Er1 175.6(2) . . . . ?
O1 Er1 O2 C34 -21.6(7) . . . . ?
N1 Er1 O2 C34 -104.1(5) . . . . ?
N2 Er1 O2 C34 -173.4(5) . . . . ?
C8 Er1 O2 C34 101.6(5) . . . . ?
N3 Er1 O2 C34 71.1(5) . . . . ?
Cl1 Er1 O2 C34 1.4(5) . . . . ?
C9 Er1 O2 C34 122.3(5) . . . . ?
C15 Er1 O2 C34 78.6(5) . . . . ?
C10 Er1 O2 C34 106.8(5) . . . . ?
Er2 Er1 O2 C34 22.5(6) . . . . ?
O1 Er1 O2 C31 141.5(4) . . . . ?
N1 Er1 O2 C31 59.1(5) . . . . ?
N2 Er1 O2 C31 -10.3(5) . . . . ?
C8 Er1 O2 C31 -95.2(5) . . . . ?
N3 Er1 O2 C31 -125.8(4) . . . . ?
Cl1 Er1 O2 C31 164.6(5) . . . . ?
C9 Er1 O2 C31 -74.6(5) . . . . ?
C15 Er1 O2 C31 -118.2(5) . . . . ?
C10 Er1 O2 C31 -90.0(5) . . . . ?
Er2 Er1 O2 C31 -174.4(4) . . . . ?
O1 Er3 O3 C38 -22.8(8) . . . . ?
N4 Er3 O3 C38 -93.8(6) . . . . ?
N5 Er3 O3 C38 -162.1(6) . . . . ?
N6 Er3 O3 C38 80.8(6) . . . . ?
C23 Er3 O3 C38 114.0(6) . . . . ?
Cl2 Er3 O3 C38 11.1(6) . . . . ?
C30 Er3 O3 C38 86.8(6) . . . . ?
C24 Er3 O3 C38 132.3(6) . . . . ?
C25 Er3 O3 C38 115.3(6) . . . . ?
Er2 Er3 O3 C38 30.5(6) . . . . ?
O1 Er3 O3 C35 132.1(5) . . . . ?
N4 Er3 O3 C35 61.1(5) . . . . ?
N5 Er3 O3 C35 -7.2(5) . . . . ?
N6 Er3 O3 C35 -124.3(5) . . . . ?
C23 Er3 O3 C35 -91.1(5) . . . . ?
Cl2 Er3 O3 C35 166.0(5) . . . . ?
C30 Er3 O3 C35 -118.3(5) . . . . ?
C24 Er3 O3 C35 -72.8(5) . . . . ?
C25 Er3 O3 C35 -89.8(5) . . . . ?
Er2 Er3 O3 C35 -174.6(4) . . . . ?
O1 Er1 N1 C4 -77.5(7) . . . . ?
O2 Er1 N1 C4 75.1(7) . . . . ?
N2 Er1 N1 C4 173.4(7) . . . . ?
C8 Er1 N1 C4 -144.7(6) . . . . ?
N3 Er1 N1 C4 -83.8(9) . . . . ?
Cl1 Er1 N1 C4 -1.3(7) . . . . ?
C9 Er1 N1 C4 172.8(6) . . . . ?
C15 Er1 N1 C4 84.6(9) . . . . ?
C10 Er1 N1 C4 130.7(6) . . . . ?
Er2 Er1 N1 C4 -50.9(7) . . . . ?
O1 Er1 N1 C1 106.5(4) . . . . ?
O2 Er1 N1 C1 -100.9(4) . . . . ?
N2 Er1 N1 C1 -2.6(4) . . . . ?
C8 Er1 N1 C1 39.3(6) . . . . ?
N3 Er1 N1 C1 100.3(7) . . . . ?
Cl1 Er1 N1 C1 -177.3(4) . . . . ?
C9 Er1 N1 C1 -3.1(5) . . . . ?
C15 Er1 N1 C1 -91.3(6) . . . . ?
C10 Er1 N1 C1 -45.3(5) . . . . ?
Er2 Er1 N1 C1 133.2(3) . . . . ?
O1 Er1 N2 C5 -83.3(4) . . . . ?
N1 Er1 N2 C5 4.3(4) . . . . ?
O2 Er1 N2 C5 83.3(4) . . . . ?
C8 Er1 N2 C5 -153.4(4) . . . . ?
N3 Er1 N2 C5 -162.3(4) . . . . ?
Cl1 Er1 N2 C5 44.3(11) . . . . ?
C9 Er1 N2 C5 -176.1(5) . . . . ?
C15 Er1 N2 C5 166.9(4) . . . . ?
C10 Er1 N2 C5 159.7(4) . . . . ?
Er2 Er1 N2 C5 -116.5(4) . . . . ?
O1 Er1 N2 C6 98.1(6) . . . . ?
N1 Er1 N2 C6 -174.3(6) . . . . ?
O2 Er1 N2 C6 -95.3(6) . . . . ?
C8 Er1 N2 C6 28.0(6) . . . . ?
N3 Er1 N2 C6 19.0(6) . . . . ?
Cl1 Er1 N2 C6 -134.4(8) . . . . ?
C9 Er1 N2 C6 5.2(6) . . . . ?
C15 Er1 N2 C6 -11.7(6) . . . . ?
C10 Er1 N2 C6 -19.0(6) . . . . ?
Er2 Er1 N2 C6 64.8(6) . . . . ?
N7 Er2 N3 C8 -150.9(3) . . . . ?
O1 Er2 N3 C8 39.6(3) . . . . ?
N6 Er2 N3 C8 29.6(5) . . . . ?
Cl1 Er2 N3 C8 116.5(4) . . . . ?
Cl2 Er2 N3 C8 -36.2(3) . . . . ?
Si1 Er2 N3 C8 -132.9(3) . . . . ?
Er3 Er2 N3 C8 14.7(4) . . . . ?
Er1 Er2 N3 C8 69.4(3) . . . . ?
N7 Er2 N3 C15 64.6(5) . . . . ?
O1 Er2 N3 C15 -104.8(4) . . . . ?
N6 Er2 N3 C15 -114.9(5) . . . . ?
Cl1 Er2 N3 C15 -28.0(4) . . . . ?
Cl2 Er2 N3 C15 179.3(4) . . . . ?
Si1 Er2 N3 C15 82.7(4) . . . . ?
Er3 Er2 N3 C15 -129.8(4) . . . . ?
Er1 Er2 N3 C15 -75.0(4) . . . . ?
N7 Er2 N3 Er1 139.63(13) . . . . ?
O1 Er2 N3 Er1 -29.79(10) . . . . ?
N6 Er2 N3 Er1 -39.8(3) . . . . ?
Cl1 Er2 N3 Er1 47.08(8) . . . . ?
Cl2 Er2 N3 Er1 -105.62(9) . . . . ?
Si1 Er2 N3 Er1 157.72(8) . . . . ?
Er3 Er2 N3 Er1 -54.77(9) . . . . ?
O1 Er1 N3 C8 -86.7(3) . . . . ?
N1 Er1 N3 C8 -80.1(7) . . . . ?
O2 Er1 N3 C8 122.2(3) . . . . ?
N2 Er1 N3 C8 17.9(4) . . . . ?
Cl1 Er1 N3 C8 -165.8(3) . . . . ?
C9 Er1 N3 C8 34.2(3) . . . . ?
C15 Er1 N3 C8 106.6(5) . . . . ?
C10 Er1 N3 C8 72.5(4) . . . . ?
Er2 Er1 N3 C8 -119.4(4) . . . . ?
O1 Er1 N3 C15 166.7(3) . . . . ?
N1 Er1 N3 C15 173.3(6) . . . . ?
O2 Er1 N3 C15 15.6(3) . . . . ?
N2 Er1 N3 C15 -88.7(3) . . . . ?
C8 Er1 N3 C15 -106.6(5) . . . . ?
Cl1 Er1 N3 C15 87.6(3) . . . . ?
C9 Er1 N3 C15 -72.4(3) . . . . ?
C10 Er1 N3 C15 -34.1(3) . . . . ?
Er2 Er1 N3 C15 134.0(3) . . . . ?
O1 Er1 N3 Er2 32.71(11) . . . . ?
N1 Er1 N3 Er2 39.2(7) . . . . ?
O2 Er1 N3 Er2 -118.41(13) . . . . ?
N2 Er1 N3 Er2 137.29(15) . . . . ?
C8 Er1 N3 Er2 119.4(4) . . . . ?
Cl1 Er1 N3 Er2 -46.39(8) . . . . ?
C9 Er1 N3 Er2 153.6(2) . . . . ?
C15 Er1 N3 Er2 -134.0(3) . . . . ?
C10 Er1 N3 Er2 -168.2(2) . . . . ?
O1 Er3 N4 C19 -83.9(7) . . . . ?
N5 Er3 N4 C19 175.8(7) . . . . ?
O3 Er3 N4 C19 72.4(7) . . . . ?
N6 Er3 N4 C19 -86.9(9) . . . . ?
C23 Er3 N4 C19 -149.1(6) . . . . ?
Cl2 Er3 N4 C19 -6.6(7) . . . . ?
C30 Er3 N4 C19 74.4(9) . . . . ?
C24 Er3 N4 C19 167.7(6) . . . . ?
C25 Er3 N4 C19 125.1(7) . . . . ?
Er2 Er3 N4 C19 -57.4(7) . . . . ?
O1 Er3 N4 C16 94.9(4) . . . . ?
N5 Er3 N4 C16 -5.3(4) . . . . ?
O3 Er3 N4 C16 -108.8(4) . . . . ?
N6 Er3 N4 C16 91.9(7) . . . . ?
C23 Er3 N4 C16 29.7(5) . . . . ?
Cl2 Er3 N4 C16 172.2(4) . . . . ?
C30 Er3 N4 C16 -106.7(7) . . . . ?
C24 Er3 N4 C16 -13.5(5) . . . . ?
C25 Er3 N4 C16 -56.1(5) . . . . ?
Er2 Er3 N4 C16 121.4(4) . . . . ?
O1 Er3 N5 C20 -82.2(5) . . . . ?
N4 Er3 N5 C20 6.5(5) . . . . ?
O3 Er3 N5 C20 81.4(5) . . . . ?
N6 Er3 N5 C20 -158.7(4) . . . . ?
C23 Er3 N5 C20 -153.9(5) . . . . ?
Cl2 Er3 N5 C20 -13.9(15) . . . . ?
C30 Er3 N5 C20 169.5(5) . . . . ?
C24 Er3 N5 C20 -179.9(5) . . . . ?
C25 Er3 N5 C20 158.7(5) . . . . ?
Er2 Er3 N5 C20 -111.5(4) . . . . ?
O1 Er3 N5 C21 81.0(6) . . . . ?
N4 Er3 N5 C21 169.8(6) . . . . ?
O3 Er3 N5 C21 -115.3(6) . . . . ?
N6 Er3 N5 C21 4.6(6) . . . . ?
C23 Er3 N5 C21 9.3(6) . . . . ?
Cl2 Er3 N5 C21 149.4(9) . . . . ?
C30 Er3 N5 C21 -27.2(6) . . . . ?
C24 Er3 N5 C21 -16.6(5) . . . . ?
C25 Er3 N5 C21 -38.0(6) . . . . ?
Er2 Er3 N5 C21 51.8(6) . . . . ?
N7 Er2 N6 C23 -127.8(3) . . . . ?
O1 Er2 N6 C23 41.7(3) . . . . ?
N3 Er2 N6 C23 51.7(5) . . . . ?
Cl1 Er2 N6 C23 -30.8(3) . . . . ?
Cl2 Er2 N6 C23 119.6(3) . . . . ?
Si1 Er2 N6 C23 -147.5(3) . . . . ?
Er3 Er2 N6 C23 71.1(3) . . . . ?
Er1 Er2 N6 C23 21.1(3) . . . . ?
N7 Er2 N6 C30 86.6(4) . . . . ?
O1 Er2 N6 C30 -103.9(4) . . . . ?
N3 Er2 N6 C30 -93.8(5) . . . . ?
Cl1 Er2 N6 C30 -176.4(4) . . . . ?
Cl2 Er2 N6 C30 -26.0(4) . . . . ?
Si1 Er2 N6 C30 66.9(4) . . . . ?
Er3 Er2 N6 C30 -74.5(4) . . . . ?
Er1 Er2 N6 C30 -124.4(4) . . . . ?
N7 Er2 N6 Er3 161.13(14) . . . . ?
O1 Er2 N6 Er3 -29.40(10) . . . . ?
N3 Er2 N6 Er3 -19.4(3) . . . . ?
Cl1 Er2 N6 Er3 -101.89(10) . . . . ?
Cl2 Er2 N6 Er3 48.49(9) . . . . ?
Si1 Er2 N6 Er3 141.41(7) . . . . ?
Er1 Er2 N6 Er3 -49.95(11) . . . . ?
O1 Er3 N6 C23 -86.2(3) . . . . ?
N4 Er3 N6 C23 -83.0(7) . . . . ?
N5 Er3 N6 C23 9.2(4) . . . . ?
O3 Er3 N6 C23 119.3(3) . . . . ?
Cl2 Er3 N6 C23 -166.8(3) . . . . ?
C30 Er3 N6 C23 107.3(5) . . . . ?
C24 Er3 N6 C23 34.3(3) . . . . ?
C25 Er3 N6 C23 72.2(3) . . . . ?
Er2 Er3 N6 C23 -118.8(3) . . . . ?
O1 Er3 N6 C30 166.5(4) . . . . ?
N4 Er3 N6 C30 169.7(6) . . . . ?
N5 Er3 N6 C30 -98.1(4) . . . . ?
O3 Er3 N6 C30 12.0(4) . . . . ?
C23 Er3 N6 C30 -107.3(5) . . . . ?
Cl2 Er3 N6 C30 85.9(3) . . . . ?
C24 Er3 N6 C30 -73.0(4) . . . . ?
C25 Er3 N6 C30 -35.1(3) . . . . ?
Er2 Er3 N6 C30 134.0(4) . . . . ?
O1 Er3 N6 Er2 32.57(12) . . . . ?
N4 Er3 N6 Er2 35.7(7) . . . . ?
N5 Er3 N6 Er2 127.95(17) . . . . ?
O3 Er3 N6 Er2 -121.95(14) . . . . ?
C23 Er3 N6 Er2 118.8(3) . . . . ?
Cl2 Er3 N6 Er2 -48.02(9) . . . . ?
C30 Er3 N6 Er2 -134.0(4) . . . . ?
C24 Er3 N6 Er2 153.1(3) . . . . ?
C25 Er3 N6 Er2 -169.1(3) . . . . ?
C39 Si1 N7 Si2 -165.0(4) . . . . ?
C41 Si1 N7 Si2 -45.0(5) . . . . ?
C40 Si1 N7 Si2 78.9(4) . . . . ?
Er2 Si1 N7 Si2 -176.0(5) . . . . ?
C39 Si1 N7 Er2 11.0(4) . . . . ?
C41 Si1 N7 Er2 131.0(4) . . . . ?
C40 Si1 N7 Er2 -105.1(4) . . . . ?
C42 Si2 N7 Si1 -153.8(4) . . . . ?
C44 Si2 N7 Si1 86.0(4) . . . . ?
C43 Si2 N7 Si1 -34.3(5) . . . . ?
C42 Si2 N7 Er2 30.5(4) . . . . ?
C44 Si2 N7 Er2 -89.7(4) . . . . ?
C43 Si2 N7 Er2 150.0(4) . . . . ?
O1 Er2 N7 Si1 178.3(4) . . . . ?
N6 Er2 N7 Si1 -138.0(2) . . . . ?
N3 Er2 N7 Si1 42.3(3) . . . . ?
Cl1 Er2 N7 Si1 124.8(2) . . . . ?
Cl2 Er2 N7 Si1 -57.3(3) . . . . ?
Er3 Er2 N7 Si1 -115.3(2) . . . . ?
Er1 Er2 N7 Si1 99.5(3) . . . . ?
O1 Er2 N7 Si2 -5.8(7) . . . . ?
N6 Er2 N7 Si2 37.9(3) . . . . ?
N3 Er2 N7 Si2 -141.8(2) . . . . ?
Cl1 Er2 N7 Si2 -59.3(3) . . . . ?
Cl2 Er2 N7 Si2 118.6(2) . . . . ?
Si1 Er2 N7 Si2 175.9(5) . . . . ?
Er3 Er2 N7 Si2 60.6(3) . . . . ?
Er1 Er2 N7 Si2 -84.6(3) . . . . ?
C4 N1 C1 C2 0.5(7) . . . . ?
Er1 N1 C1 C2 177.8(4) . . . . ?
C4 N1 C1 C5 -176.4(5) . . . . ?
Er1 N1 C1 C5 0.8(7) . . . . ?
N1 C1 C2 C3 -0.4(8) . . . . ?
C5 C1 C2 C3 176.1(7) . . . . ?
C1 C2 C3 C4 0.1(9) . . . . ?
C1 N1 C4 C3 -0.5(8) . . . . ?
Er1 N1 C4 C3 -176.7(5) . . . . ?
C2 C3 C4 N1 0.2(9) . . . . ?
C6 N2 C5 C1 173.1(6) . . . . ?
Er1 N2 C5 C1 -5.7(7) . . . . ?
C2 C1 C5 N2 -172.8(7) . . . . ?
N1 C1 C5 N2 3.4(9) . . . . ?
C5 N2 C6 C7 164.0(7) . . . . ?
Er1 N2 C6 C7 -17.3(11) . . . . ?
N2 C6 C7 C9 22.4(12) . . . . ?
C15 N3 C8 C9 4.0(6) . . . . ?
Er2 N3 C8 C9 -149.8(4) . . . . ?
Er1 N3 C8 C9 -73.9(4) . . . . ?
C15 N3 C8 Er1 77.9(3) . . . . ?
Er2 N3 C8 Er1 -75.9(2) . . . . ?
O1 Er1 C8 C9 -158.3(4) . . . . ?
N1 Er1 C8 C9 -85.1(5) . . . . ?
O2 Er1 C8 C9 45.5(4) . . . . ?
N2 Er1 C8 C9 -45.8(4) . . . . ?
N3 Er1 C8 C9 117.5(5) . . . . ?
Cl1 Er1 C8 C9 131.7(3) . . . . ?
C15 Er1 C8 C9 77.7(4) . . . . ?
C10 Er1 C8 C9 38.5(3) . . . . ?
Er2 Er1 C8 C9 160.7(4) . . . . ?
O1 Er1 C8 N3 84.2(3) . . . . ?
N1 Er1 C8 N3 157.4(3) . . . . ?
O2 Er1 C8 N3 -72.0(4) . . . . ?
N2 Er1 C8 N3 -163.3(3) . . . . ?
Cl1 Er1 C8 N3 14.2(3) . . . . ?
C9 Er1 C8 N3 -117.5(5) . . . . ?
C15 Er1 C8 N3 -39.8(3) . . . . ?
C10 Er1 C8 N3 -79.0(3) . . . . ?
Er2 Er1 C8 N3 43.2(3) . . . . ?
N3 C8 C9 C10 -3.6(6) . . . . ?
Er1 C8 C9 C10 -74.0(4) . . . . ?
N3 C8 C9 C7 172.3(5) . . . . ?
Er1 C8 C9 C7 102.0(5) . . . . ?
N3 C8 C9 Er1 70.3(4) . . . . ?
C6 C7 C9 C8 -96.6(9) . . . . ?
C6 C7 C9 C10 78.5(10) . . . . ?
C6 C7 C9 Er1 -17.1(10) . . . . ?
O1 Er1 C9 C8 21.2(4) . . . . ?
N1 Er1 C9 C8 128.2(3) . . . . ?
O2 Er1 C9 C8 -142.7(3) . . . . ?
N2 Er1 C9 C8 127.6(4) . . . . ?
N3 Er1 C9 C8 -35.6(3) . . . . ?
Cl1 Er1 C9 C8 -58.5(4) . . . . ?
C15 Er1 C9 C8 -74.4(4) . . . . ?
C10 Er1 C9 C8 -109.9(5) . . . . ?
Er2 Er1 C9 C8 -17.3(3) . . . . ?
O1 Er1 C9 C10 131.2(3) . . . . ?
N1 Er1 C9 C10 -121.9(3) . . . . ?
O2 Er1 C9 C10 -32.7(4) . . . . ?
N2 Er1 C9 C10 -122.5(4) . . . . ?
C8 Er1 C9 C10 109.9(5) . . . . ?
N3 Er1 C9 C10 74.4(3) . . . . ?
Cl1 Er1 C9 C10 51.4(4) . . . . ?
C15 Er1 C9 C10 35.5(3) . . . . ?
Er2 Er1 C9 C10 92.7(3) . . . . ?
O1 Er1 C9 C7 -100.5(5) . . . . ?
N1 Er1 C9 C7 6.5(6) . . . . ?
O2 Er1 C9 C7 95.7(5) . . . . ?
N2 Er1 C9 C7 5.9(5) . . . . ?
C8 Er1 C9 C7 -121.7(7) . . . . ?
N3 Er1 C9 C7 -157.2(6) . . . . ?
Cl1 Er1 C9 C7 179.8(4) . . . . ?
C15 Er1 C9 C7 163.9(6) . . . . ?
C10 Er1 C9 C7 128.4(7) . . . . ?
Er2 Er1 C9 C7 -138.9(5) . . . . ?
C8 C9 C10 C11 -176.6(6) . . . . ?
C7 C9 C10 C11 7.6(10) . . . . ?
Er1 C9 C10 C11 117.7(6) . . . . ?
C8 C9 C10 C15 1.6(6) . . . . ?
C7 C9 C10 C15 -174.2(5) . . . . ?
Er1 C9 C10 C15 -64.1(4) . . . . ?
C8 C9 C10 Er1 65.7(4) . . . . ?
C7 C9 C10 Er1 -110.1(6) . . . . ?
O1 Er1 C10 C11 172.4(5) . . . . ?
N1 Er1 C10 C11 -40.0(7) . . . . ?
O2 Er1 C10 C11 16.7(5) . . . . ?
N2 Er1 C10 C11 -80.4(6) . . . . ?
C8 Er1 C10 C11 -169.3(7) . . . . ?
N3 Er1 C10 C11 149.6(6) . . . . ?
Cl1 Er1 C10 C11 92.3(5) . . . . ?
C9 Er1 C10 C11 -130.4(7) . . . . ?
C15 Er1 C10 C11 114.4(7) . . . . ?
Er2 Er1 C10 C11 141.2(5) . . . . ?
O1 Er1 C10 C15 58.0(4) . . . . ?
N1 Er1 C10 C15 -154.4(3) . . . . ?
O2 Er1 C10 C15 -97.7(4) . . . . ?
N2 Er1 C10 C15 165.2(4) . . . . ?
C8 Er1 C10 C15 76.3(4) . . . . ?
N3 Er1 C10 C15 35.2(3) . . . . ?
Cl1 Er1 C10 C15 -22.1(4) . . . . ?
C9 Er1 C10 C15 115.2(5) . . . . ?
Er2 Er1 C10 C15 26.8(3) . . . . ?
O1 Er1 C10 C9 -57.2(4) . . . . ?
N1 Er1 C10 C9 90.4(4) . . . . ?
O2 Er1 C10 C9 147.1(4) . . . . ?
N2 Er1 C10 C9 50.1(4) . . . . ?
C8 Er1 C10 C9 -38.9(3) . . . . ?
N3 Er1 C10 C9 -80.0(4) . . . . ?
Cl1 Er1 C10 C9 -137.3(3) . . . . ?
C15 Er1 C10 C9 -115.2(5) . . . . ?
Er2 Er1 C10 C9 -88.3(3) . . . . ?
C15 C10 C11 C12 0.4(9) . . . . ?
C9 C10 C11 C12 178.4(6) . . . . ?
Er1 C10 C11 C12 -87.3(7) . . . . ?
C10 C11 C12 C13 0.0(10) . . . . ?
C11 C12 C13 C14 -0.1(10) . . . . ?
C12 C13 C14 C15 -0.1(9) . . . . ?
C8 N3 C15 C14 177.1(5) . . . . ?
Er2 N3 C15 C14 -35.3(7) . . . . ?
Er1 N3 C15 C14 -111.4(5) . . . . ?
C8 N3 C15 C10 -2.8(5) . . . . ?
Er2 N3 C15 C10 144.8(4) . . . . ?
Er1 N3 C15 C10 68.7(4) . . . . ?
C8 N3 C15 Er1 -71.5(3) . . . . ?
Er2 N3 C15 Er1 76.1(3) . . . . ?
C13 C14 C15 N3 -179.4(5) . . . . ?
C13 C14 C15 C10 0.5(8) . . . . ?
C13 C14 C15 Er1 95.8(6) . . . . ?
C11 C10 C15 N3 179.3(5) . . . . ?
C9 C10 C15 N3 0.8(6) . . . . ?
Er1 C10 C15 N3 -61.9(3) . . . . ?
C11 C10 C15 C14 -0.6(8) . . . . ?
C9 C10 C15 C14 -179.2(5) . . . . ?
Er1 C10 C15 C14 118.2(5) . . . . ?
C11 C10 C15 Er1 -118.8(5) . . . . ?
C9 C10 C15 Er1 62.7(4) . . . . ?
O1 Er1 C15 N3 -12.9(3) . . . . ?
N1 Er1 C15 N3 -174.8(4) . . . . ?
O2 Er1 C15 N3 -165.3(3) . . . . ?
N2 Er1 C15 N3 102.1(3) . . . . ?
C8 Er1 C15 N3 41.4(3) . . . . ?
Cl1 Er1 C15 N3 -84.8(3) . . . . ?
C9 Er1 C15 N3 81.3(3) . . . . ?
C10 Er1 C15 N3 117.5(5) . . . . ?
Er2 Er1 C15 N3 -33.3(3) . . . . ?
O1 Er1 C15 C14 109.8(5) . . . . ?
N1 Er1 C15 C14 -52.1(8) . . . . ?
O2 Er1 C15 C14 -42.5(5) . . . . ?
N2 Er1 C15 C14 -135.2(4) . . . . ?
C8 Er1 C15 C14 164.1(6) . . . . ?
N3 Er1 C15 C14 122.7(6) . . . . ?
Cl1 Er1 C15 C14 37.9(4) . . . . ?
C9 Er1 C15 C14 -155.9(6) . . . . ?
C10 Er1 C15 C14 -119.8(6) . . . . ?
Er2 Er1 C15 C14 89.4(5) . . . . ?
O1 Er1 C15 C10 -130.4(3) . . . . ?
N1 Er1 C15 C10 67.7(7) . . . . ?
O2 Er1 C15 C10 77.2(4) . . . . ?
N2 Er1 C15 C10 -15.4(4) . . . . ?
C8 Er1 C15 C10 -76.1(4) . . . . ?
N3 Er1 C15 C10 -117.5(5) . . . . ?
Cl1 Er1 C15 C10 157.7(4) . . . . ?
C9 Er1 C15 C10 -36.2(3) . . . . ?
Er2 Er1 C15 C10 -150.8(4) . . . . ?
C19 N4 C16 C17 -1.2(7) . . . . ?
Er3 N4 C16 C17 179.6(4) . . . . ?
C19 N4 C16 C20 -176.6(6) . . . . ?
Er3 N4 C16 C20 4.2(7) . . . . ?
N4 C16 C17 C18 1.2(8) . . . . ?
C20 C16 C17 C18 175.9(7) . . . . ?
C16 C17 C18 C19 -0.8(9) . . . . ?
C16 N4 C19 C18 0.7(8) . . . . ?
Er3 N4 C19 C18 179.6(5) . . . . ?
C17 C18 C19 N4 0.1(9) . . . . ?
C21 N5 C20 C16 -171.2(6) . . . . ?
Er3 N5 C20 C16 -7.0(8) . . . . ?
N4 C16 C20 N5 2.0(9) . . . . ?
C17 C16 C20 N5 -172.3(7) . . . . ?
C20 N5 C21 C22 -158.0(6) . . . . ?
Er3 N5 C21 C22 39.3(9) . . . . ?
N5 C21 C22 C24 -41.6(9) . . . . ?
C30 N6 C23 C24 3.7(6) . . . . ?
Er2 N6 C23 C24 -150.7(4) . . . . ?
Er3 N6 C23 C24 -73.5(4) . . . . ?
C30 N6 C23 Er3 77.2(3) . . . . ?
Er2 N6 C23 Er3 -77.2(2) . . . . ?
O1 Er3 C23 C24 -158.3(4) . . . . ?
N4 Er3 C23 C24 -87.8(5) . . . . ?
N5 Er3 C23 C24 -54.4(4) . . . . ?
O3 Er3 C23 C24 39.3(4) . . . . ?
N6 Er3 C23 C24 116.9(5) . . . . ?
Cl2 Er3 C23 C24 130.1(4) . . . . ?
C30 Er3 C23 C24 77.3(4) . . . . ?
C25 Er3 C23 C24 37.5(4) . . . . ?
Er2 Er3 C23 C24 160.3(4) . . . . ?
O1 Er3 C23 N6 84.8(3) . . . . ?
N4 Er3 C23 N6 155.3(3) . . . . ?
N5 Er3 C23 N6 -171.3(3) . . . . ?
O3 Er3 C23 N6 -77.6(3) . . . . ?
Cl2 Er3 C23 N6 13.2(3) . . . . ?
C30 Er3 C23 N6 -39.7(3) . . . . ?
C24 Er3 C23 N6 -116.9(5) . . . . ?
C25 Er3 C23 N6 -79.4(4) . . . . ?
Er2 Er3 C23 N6 43.4(3) . . . . ?
N6 C23 C24 C25 -3.5(6) . . . . ?
Er3 C23 C24 C25 -72.1(4) . . . . ?
N6 C23 C24 C22 170.1(5) . . . . ?
Er3 C23 C24 C22 101.4(6) . . . . ?
N6 C23 C24 Er3 68.7(4) . . . . ?
C21 C22 C24 C23 -52.6(9) . . . . ?
C21 C22 C24 C25 119.8(8) . . . . ?
C21 C22 C24 Er3 27.0(8) . . . . ?
O1 Er3 C24 C23 21.3(4) . . . . ?
N4 Er3 C24 C23 126.1(4) . . . . ?
N5 Er3 C24 C23 117.6(4) . . . . ?
O3 Er3 C24 C23 -148.2(4) . . . . ?
N6 Er3 C24 C23 -36.3(3) . . . . ?
Cl2 Er3 C24 C23 -60.5(4) . . . . ?
C30 Er3 C24 C23 -75.7(4) . . . . ?
C25 Er3 C24 C23 -111.6(5) . . . . ?
Er2 Er3 C24 C23 -17.7(4) . . . . ?
O1 Er3 C24 C25 132.9(3) . . . . ?
N4 Er3 C24 C25 -122.3(3) . . . . ?
N5 Er3 C24 C25 -130.8(4) . . . . ?
O3 Er3 C24 C25 -36.6(3) . . . . ?
N6 Er3 C24 C25 75.3(3) . . . . ?
C23 Er3 C24 C25 111.6(5) . . . . ?
Cl2 Er3 C24 C25 51.1(4) . . . . ?
C30 Er3 C24 C25 35.9(3) . . . . ?
Er2 Er3 C24 C25 94.0(3) . . . . ?
O1 Er3 C24 C22 -102.3(5) . . . . ?
N4 Er3 C24 C22 2.5(6) . . . . ?
N5 Er3 C24 C22 -6.0(5) . . . . ?
O3 Er3 C24 C22 88.2(5) . . . . ?
N6 Er3 C24 C22 -159.9(6) . . . . ?
C23 Er3 C24 C22 -123.6(7) . . . . ?
Cl2 Er3 C24 C22 175.9(4) . . . . ?
C30 Er3 C24 C22 160.7(6) . . . . ?
C25 Er3 C24 C22 124.8(6) . . . . ?
Er2 Er3 C24 C22 -141.3(5) . . . . ?
C23 C24 C25 C26 -177.8(6) . . . . ?
C22 C24 C25 C26 8.5(11) . . . . ?
Er3 C24 C25 C26 117.5(7) . . . . ?
C23 C24 C25 C30 1.7(6) . . . . ?
C22 C24 C25 C30 -172.0(5) . . . . ?
Er3 C24 C25 C30 -63.0(4) . . . . ?
C23 C24 C25 Er3 64.7(4) . . . . ?
C22 C24 C25 Er3 -109.0(6) . . . . ?
O1 Er3 C25 C26 173.3(5) . . . . ?
N4 Er3 C25 C26 -40.5(7) . . . . ?
N5 Er3 C25 C26 -87.8(6) . . . . ?
O3 Er3 C25 C26 12.3(6) . . . . ?
N6 Er3 C25 C26 149.2(7) . . . . ?
C23 Er3 C25 C26 -169.2(7) . . . . ?
Cl2 Er3 C25 C26 91.3(6) . . . . ?
C30 Er3 C25 C26 113.3(8) . . . . ?
C24 Er3 C25 C26 -131.1(7) . . . . ?
Er2 Er3 C25 C26 141.6(6) . . . . ?
O1 Er3 C25 C24 -55.6(4) . . . . ?
N4 Er3 C25 C24 90.6(4) . . . . ?
N5 Er3 C25 C24 43.3(3) . . . . ?
O3 Er3 C25 C24 143.4(3) . . . . ?
N6 Er3 C25 C24 -79.6(4) . . . . ?
C23 Er3 C25 C24 -38.1(3) . . . . ?
Cl2 Er3 C25 C24 -137.5(3) . . . . ?
C30 Er3 C25 C24 -115.6(5) . . . . ?
Er2 Er3 C25 C24 -87.3(3) . . . . ?
O1 Er3 C25 C30 60.0(4) . . . . ?
N4 Er3 C25 C30 -153.8(3) . . . . ?
N5 Er3 C25 C30 158.9(4) . . . . ?
O3 Er3 C25 C30 -101.0(4) . . . . ?
N6 Er3 C25 C30 35.9(3) . . . . ?
C23 Er3 C25 C30 77.5(4) . . . . ?
Cl2 Er3 C25 C30 -22.0(4) . . . . ?
C24 Er3 C25 C30 115.6(5) . . . . ?
Er2 Er3 C25 C30 28.3(4) . . . . ?
C24 C25 C26 C27 -179.3(7) . . . . ?
C30 C25 C26 C27 1.2(10) . . . . ?
Er3 C25 C26 C27 -84.1(8) . . . . ?
C25 C26 C27 C28 -0.7(12) . . . . ?
C26 C27 C28 C29 -0.4(13) . . . . ?
C27 C28 C29 C30 0.8(11) . . . . ?
C28 C29 C30 N6 178.7(6) . . . . ?
C28 C29 C30 C25 -0.3(9) . . . . ?
C28 C29 C30 Er3 94.4(7) . . . . ?
C23 N6 C30 C29 178.5(6) . . . . ?
Er2 N6 C30 C29 -33.0(9) . . . . ?
Er3 N6 C30 C29 -109.1(6) . . . . ?
C23 N6 C30 C25 -2.5(6) . . . . ?
Er2 N6 C30 C25 146.0(4) . . . . ?
Er3 N6 C30 C25 69.9(4) . . . . ?
C23 N6 C30 Er3 -72.4(3) . . . . ?
Er2 N6 C30 Er3 76.1(3) . . . . ?
C26 C25 C30 C29 -0.8(9) . . . . ?
C24 C25 C30 C29 179.6(6) . . . . ?
Er3 C25 C30 C29 116.4(6) . . . . ?
C26 C25 C30 N6 -179.9(5) . . . . ?
C24 C25 C30 N6 0.5(6) . . . . ?
Er3 C25 C30 N6 -62.7(4) . . . . ?
C26 C25 C30 Er3 -117.2(5) . . . . ?
C24 C25 C30 Er3 63.2(4) . . . . ?
O1 Er3 C30 C29 111.1(5) . . . . ?
N4 Er3 C30 C29 -46.7(9) . . . . ?
N5 Er3 C30 C29 -142.1(5) . . . . ?
O3 Er3 C30 C29 -44.7(5) . . . . ?
N6 Er3 C30 C29 124.3(6) . . . . ?
C23 Er3 C30 C29 165.5(6) . . . . ?
Cl2 Er3 C30 C29 38.3(4) . . . . ?
C24 Er3 C30 C29 -155.0(6) . . . . ?
C25 Er3 C30 C29 -119.5(6) . . . . ?
Er2 Er3 C30 C29 91.2(5) . . . . ?
O1 Er3 C30 N6 -13.2(3) . . . . ?
N4 Er3 C30 N6 -171.0(5) . . . . ?
N5 Er3 C30 N6 93.5(3) . . . . ?
O3 Er3 C30 N6 -169.0(3) . . . . ?
C23 Er3 C30 N6 41.2(3) . . . . ?
Cl2 Er3 C30 N6 -86.0(3) . . . . ?
C24 Er3 C30 N6 80.7(4) . . . . ?
C25 Er3 C30 N6 116.2(5) . . . . ?
Er2 Er3 C30 N6 -33.2(3) . . . . ?
O1 Er3 C30 C25 -129.4(4) . . . . ?
N4 Er3 C30 C25 72.8(8) . . . . ?
N5 Er3 C30 C25 -22.6(4) . . . . ?
O3 Er3 C30 C25 74.8(4) . . . . ?
N6 Er3 C30 C25 -116.2(5) . . . . ?
C23 Er3 C30 C25 -75.0(4) . . . . ?
Cl2 Er3 C30 C25 157.8(4) . . . . ?
C24 Er3 C30 C25 -35.5(3) . . . . ?
Er2 Er3 C30 C25 -149.3(4) . . . . ?
C34 O2 C31 C32 -8.9(8) . . . . ?
Er1 O2 C31 C32 -175.8(5) . . . . ?
O2 C31 C32 C33 -4.1(10) . . . . ?
C31 C32 C33 C34 14.7(10) . . . . ?
C31 O2 C34 C33 17.9(8) . . . . ?
Er1 O2 C34 C33 -177.8(4) . . . . ?
C32 C33 C34 O2 -19.9(9) . . . . ?
C38 O3 C35 C36 11.4(9) . . . . ?
Er3 O3 C35 C36 -148.9(6) . . . . ?
O3 C35 C36 C37 -16.8(11) . . . . ?
C35 C36 C37 C38 15.8(13) . . . . ?
C36 C37 C38 O3 -8.7(12) . . . . ?
C35 O3 C38 C37 -1.6(10) . . . . ?
Er3 O3 C38 C37 155.4(6) . . . . ?

_diffrn_measured_fraction_theta_max 0.991
_diffrn_reflns_theta_full        27.56
_diffrn_measured_fraction_theta_full 0.991
_refine_diff_density_max         1.540
_refine_diff_density_min         -0.668
_refine_diff_density_rms         0.113
_database_code_depnum_ccdc_archive 'CCDC 935213'
#######################################################################
#
#                 Cambridge Crystallographic Data Centre
#                                CCDC 
# 
#######################################################################
# 
#  This CIF contains data from an original supplementary publication
#  deposited with the CCDC, and may include chemical, crystal,
#  experimental, refinement, atomic coordinates,
#  anisotropic displacement parameters and molecular geometry data,
#  as required by the journal to which it was submitted.
#
#  This CIF is provided on the understanding that it is used for bona
#  fide research purposes only. It may contain copyright material
#  of the CCDC or of third parties, and may not be copied or further
#  disseminated in any form, whether machine-readable or not,
#  except for the purpose of generating routine backup copies
#  on your local computer system.
# 
#  For further information on the CCDC, data deposition and
#  data retrieval see:
#                         www.ccdc.cam.ac.uk
#
#  Bona fide researchers may freely download Mercury and enCIFer
#  from this site to visualise CIF-encoded structures and 
#  to carry out CIF format checking respectively.
#
data_091215a_0m
#TrackingRef '3e-Yb.cif'


_audit_creation_method           SHELXL-97
_chemical_name_systematic        
;
?
;
_chemical_name_common            ?
_chemical_melting_point          ?
_chemical_formula_moiety         ?
_chemical_formula_sum            'C44 H60 Cl2 N7 O3 Si2 Yb3'
_chemical_formula_weight         1381.19

loop_
_atom_type_symbol
_atom_type_description
_atom_type_scat_dispersion_real
_atom_type_scat_dispersion_imag
_atom_type_scat_source
C C 0.0033 0.0016 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
H H 0.0000 0.0000 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
N N 0.0061 0.0033 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
O O 0.0106 0.0060 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Si Si 0.0817 0.0704 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Cl Cl 0.1484 0.1585 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Yb Yb -0.3850 5.5486 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'

_symmetry_cell_setting           Monoclinic
_symmetry_space_group_name_H-M   C2/c

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

_cell_length_a                   20.733(2)
_cell_length_b                   14.3030(14)
_cell_length_c                   18.0760(18)
_cell_angle_alpha                90.00
_cell_angle_beta                 108.4510(10)
_cell_angle_gamma                90.00
_cell_volume                     5084.9(9)
_cell_formula_units_Z            4
_cell_measurement_temperature    293(2)
_cell_measurement_reflns_used    9947
_cell_measurement_theta_min      2.30
_cell_measurement_theta_max      27.57

_exptl_crystal_description       block
_exptl_crystal_colour            orange
_exptl_crystal_size_max          0.16
_exptl_crystal_size_mid          0.14
_exptl_crystal_size_min          0.13
_exptl_crystal_density_meas      ?
_exptl_crystal_density_diffrn    1.804
_exptl_crystal_density_method    'not measured'
_exptl_crystal_F_000             2676
_exptl_absorpt_coefficient_mu    5.668
_exptl_absorpt_correction_type   none
_exptl_absorpt_correction_T_min  0.4641
_exptl_absorpt_correction_T_max  0.5261
_exptl_absorpt_process_details   ?

_exptl_special_details           
;
?
;

_diffrn_ambient_temperature      293(2)
_diffrn_radiation_wavelength     0.71073
_diffrn_radiation_type           MoK\a
_diffrn_radiation_source         'fine-focus sealed tube'
_diffrn_radiation_monochromator  graphite
_diffrn_measurement_device_type  'CCD area detector'
_diffrn_measurement_method       'phi and omega scans'
_diffrn_detector_area_resol_mean ?
_diffrn_standards_number         ?
_diffrn_standards_interval_count ?
_diffrn_standards_interval_time  ?
_diffrn_standards_decay_%        ?
_diffrn_reflns_number            20719
_diffrn_reflns_av_R_equivalents  0.0323
_diffrn_reflns_av_sigmaI/netI    0.0276
_diffrn_reflns_limit_h_min       -26
_diffrn_reflns_limit_h_max       26
_diffrn_reflns_limit_k_min       -18
_diffrn_reflns_limit_k_max       14
_diffrn_reflns_limit_l_min       -23
_diffrn_reflns_limit_l_max       23
_diffrn_reflns_theta_min         1.76
_diffrn_reflns_theta_max         27.00
_reflns_number_total             5560
_reflns_number_gt                4994
_reflns_threshold_expression     >2sigma(I)

_computing_data_collection       'Bruker SMART'
_computing_cell_refinement       'Bruker SMART'
_computing_data_reduction        'Bruker SAINT'
_computing_structure_solution    'SHELXS-97 (Sheldrick, 1990)'
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 1997)'
_computing_molecular_graphics    'Bruker SHELXTL'
_computing_publication_material  'Bruker SHELXTL'

_refine_special_details          
;
Refinement of F^2^ against ALL reflections. The weighted R-factor wR and
goodness of fit S are based on F^2^, conventional R-factors R are based
on F, with F set to zero for negative F^2^. The threshold expression of
F^2^ > 2sigma(F^2^) is used only for calculating R-factors(gt) etc. and is
not relevant to the choice of reflections for refinement. R-factors based
on F^2^ are statistically about twice as large as those based on F, and R-
factors based on ALL data will be even larger.
;

_refine_ls_structure_factor_coef Fsqd
_refine_ls_matrix_type           full
_refine_ls_weighting_scheme      calc
_refine_ls_weighting_details     
'calc w=1/[\s^2^(Fo^2^)+(0.0468P)^2^+14.7188P] where P=(Fo^2^+2Fc^2^)/3'
_atom_sites_solution_primary     direct
_atom_sites_solution_secondary   difmap
_atom_sites_solution_hydrogens   geom
_refine_ls_hydrogen_treatment    constr
_refine_ls_extinction_method     none
_refine_ls_extinction_coef       ?
_refine_ls_number_reflns         5560
_refine_ls_number_parameters     280
_refine_ls_number_restraints     140
_refine_ls_R_factor_all          0.0355
_refine_ls_R_factor_gt           0.0307
_refine_ls_wR_factor_ref         0.0855
_refine_ls_wR_factor_gt          0.0816
_refine_ls_goodness_of_fit_ref   1.079
_refine_ls_restrained_S_all      1.143
_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_symmetry_multiplicity
_atom_site_calc_flag
_atom_site_refinement_flags
_atom_site_disorder_assembly
_atom_site_disorder_group
Cl1 Cl 0.44544(7) 0.61518(9) 0.09827(7) 0.0489(3) Uani 1 1 d . . .
Si1 Si 0.52799(7) 0.87012(9) 0.18398(8) 0.0415(3) Uani 1 1 d . . .
Yb1 Yb 0.407375(10) 0.465036(14) 0.168432(11) 0.03690(8) Uani 1 1 d . . .
Yb2 Yb 0.5000 0.654772(18) 0.2500 0.03775(9) Uani 1 2 d S . .
O1 O 0.5000 0.4988(3) 0.2500 0.0343(9) Uani 1 2 d SD . .
O2 O 0.3246(3) 0.4497(3) 0.0434(2) 0.0747(13) Uani 1 1 d U . .
N1 N 0.4560(3) 0.3449(3) 0.1218(3) 0.0556(11) Uani 1 1 d U . .
N2 N 0.3691(3) 0.3228(4) 0.2074(3) 0.0582(12) Uani 1 1 d U . .
N3 N 0.6119(2) 0.6093(3) 0.2484(3) 0.0430(9) Uani 1 1 d . . .
N4 N 0.5000 0.8094(4) 0.2500 0.0373(11) Uani 1 2 d S . .
C1 C 0.4980(4) 0.3290(6) 0.0789(4) 0.0744(17) Uani 1 1 d U . .
H1 H 0.5148 0.3753 0.0538 0.089 Uiso 1 1 calc R . .
C2 C 0.5125(5) 0.2355(6) 0.0775(5) 0.096(2) Uani 1 1 d U . .
H2 H 0.5400 0.2081 0.0518 0.115 Uiso 1 1 calc R . .
C3 C 0.4792(5) 0.1903(6) 0.1207(5) 0.090(2) Uani 1 1 d U . .
H3 H 0.4798 0.1264 0.1301 0.108 Uiso 1 1 calc R . .
C4 C 0.4442(3) 0.2572(4) 0.1481(3) 0.0601(14) Uani 1 1 d U . .
C5 C 0.3996(4) 0.2507(4) 0.1934(3) 0.0600(14) Uani 1 1 d U . .
H5 H 0.3926 0.1930 0.2133 0.072 Uiso 1 1 calc R . .
C6 C 0.3190(5) 0.3125(6) 0.2485(6) 0.094(2) Uani 1 1 d U . .
H6A H 0.2759 0.2954 0.2105 0.113 Uiso 1 1 calc R . .
H6B H 0.3330 0.2607 0.2847 0.113 Uiso 1 1 calc R . .
C7 C 0.3083(5) 0.3872(6) 0.2886(6) 0.101(2) Uani 1 1 d U . .
H7A H 0.3363 0.3801 0.3425 0.121 Uiso 1 1 calc R . .
H7B H 0.2613 0.3861 0.2875 0.121 Uiso 1 1 calc R . .
C8 C 0.3831(3) 0.5298(4) 0.2922(4) 0.0562(14) Uani 1 1 d U . .
H8 H 0.4135 0.5176 0.3451 0.067 Uiso 1 1 calc R . .
C9 C 0.3226(4) 0.4829(5) 0.2609(5) 0.0712(16) Uani 1 1 d U . .
C10 C 0.2846(3) 0.5398(6) 0.1982(5) 0.0733(17) Uani 1 1 d U . .
C11 C 0.2186(4) 0.5335(8) 0.1475(6) 0.102(3) Uani 1 1 d U . .
H11 H 0.1913 0.4822 0.1480 0.123 Uiso 1 1 calc R . .
C12 C 0.1961(5) 0.6045(10) 0.0977(6) 0.113(3) Uani 1 1 d U . .
H12 H 0.1516 0.6010 0.0645 0.136 Uiso 1 1 calc R . .
C13 C 0.2337(5) 0.6832(9) 0.0916(5) 0.109(3) Uani 1 1 d U . .
H13 H 0.2146 0.7298 0.0554 0.131 Uiso 1 1 calc R . .
C14 C 0.3021(4) 0.6909(7) 0.1419(4) 0.082(2) Uani 1 1 d U . .
H14 H 0.3295 0.7415 0.1395 0.098 Uiso 1 1 calc R . .
C15 C 0.3254(3) 0.6184(5) 0.1949(3) 0.0560(13) Uani 1 1 d U . .
C16 C 0.2893(6) 0.3659(8) 0.0190(6) 0.161(4) Uani 1 1 d DU . .
H16A H 0.2662 0.3471 0.0557 0.193 Uiso 1 1 calc R . .
H16B H 0.3206 0.3166 0.0163 0.193 Uiso 1 1 calc R . .
C17 C 0.2407(6) 0.3816(9) -0.0566(6) 0.190(4) Uani 1 1 d DU . .
H17A H 0.2476 0.3364 -0.0935 0.228 Uiso 1 1 calc R . .
H17B H 0.1950 0.3737 -0.0542 0.228 Uiso 1 1 calc R . .
C18 C 0.2481(7) 0.4652(9) -0.0795(6) 0.160(4) Uani 1 1 d DU . .
H18A H 0.2082 0.5025 -0.0832 0.192 Uiso 1 1 calc R . .
H18B H 0.2544 0.4635 -0.1304 0.192 Uiso 1 1 calc R . .
C19 C 0.3081(5) 0.5055(8) -0.0218(5) 0.123(3) Uani 1 1 d DU . .
H19A H 0.3458 0.5081 -0.0427 0.147 Uiso 1 1 calc R . .
H19B H 0.2984 0.5685 -0.0087 0.147 Uiso 1 1 calc R . .
C20 C 0.5794(3) 0.9766(4) 0.2279(4) 0.0626(16) Uani 1 1 d . . .
H20A H 0.5922 1.0094 0.1884 0.094 Uiso 1 1 calc R . .
H20B H 0.6195 0.9577 0.2687 0.094 Uiso 1 1 calc R . .
H20C H 0.5526 1.0170 0.2491 0.094 Uiso 1 1 calc R . .
C21 C 0.4557(3) 0.9079(5) 0.0969(4) 0.0648(16) Uani 1 1 d . . .
H21A H 0.4734 0.9307 0.0572 0.097 Uiso 1 1 calc R . .
H21B H 0.4306 0.9566 0.1119 0.097 Uiso 1 1 calc R . .
H21C H 0.4263 0.8556 0.0771 0.097 Uiso 1 1 calc R . .
C22 C 0.5853(3) 0.7991(4) 0.1437(4) 0.0570(14) Uani 1 1 d . . .
H22A H 0.5957 0.8339 0.1035 0.085 Uiso 1 1 calc R . .
H22B H 0.5628 0.7419 0.1222 0.085 Uiso 1 1 calc R . .
H22C H 0.6266 0.7850 0.1847 0.085 Uiso 1 1 calc R . .

loop_
_atom_site_aniso_label
_atom_site_aniso_U_11
_atom_site_aniso_U_22
_atom_site_aniso_U_33
_atom_site_aniso_U_23
_atom_site_aniso_U_13
_atom_site_aniso_U_12
Cl1 0.0567(7) 0.0442(7) 0.0427(6) 0.0061(5) 0.0115(5) -0.0089(6)
Si1 0.0444(7) 0.0317(6) 0.0469(7) 0.0037(5) 0.0125(6) -0.0017(5)
Yb1 0.04017(12) 0.03219(12) 0.03491(12) -0.00018(7) 0.00700(9) -0.00611(7)
Yb2 0.03589(15) 0.02508(14) 0.04780(17) 0.000 0.00687(12) 0.000
O1 0.040(2) 0.024(2) 0.037(2) 0.000 0.0078(18) 0.000
O2 0.087(3) 0.068(3) 0.044(2) 0.0082(19) -0.014(2) -0.027(2)
N1 0.070(3) 0.050(3) 0.046(2) -0.009(2) 0.019(2) -0.001(2)
N2 0.072(3) 0.047(2) 0.060(3) 0.003(2) 0.026(2) -0.013(2)
N3 0.040(2) 0.040(2) 0.047(2) 0.0033(18) 0.0115(18) -0.0001(17)
N4 0.040(3) 0.023(2) 0.048(3) 0.000 0.013(2) 0.000
C1 0.088(4) 0.078(4) 0.063(3) -0.020(3) 0.031(3) 0.005(3)
C2 0.113(5) 0.092(5) 0.085(4) -0.026(4) 0.035(4) 0.030(4)
C3 0.115(5) 0.059(4) 0.082(4) -0.013(3) 0.012(4) 0.029(4)
C4 0.077(3) 0.044(3) 0.048(3) -0.009(2) 0.003(3) 0.009(3)
C5 0.084(4) 0.038(3) 0.050(3) 0.004(2) 0.009(3) -0.005(3)
C6 0.115(5) 0.073(4) 0.118(5) 0.015(4) 0.071(4) -0.015(4)
C7 0.120(5) 0.078(4) 0.137(6) -0.009(4) 0.085(4) -0.031(4)
C8 0.068(3) 0.048(3) 0.065(3) -0.003(2) 0.039(3) -0.002(3)
C9 0.074(3) 0.065(3) 0.096(4) -0.015(3) 0.057(3) -0.018(3)
C10 0.046(3) 0.100(4) 0.082(4) -0.034(3) 0.033(3) -0.017(3)
C11 0.050(4) 0.149(7) 0.106(5) -0.037(5) 0.022(4) -0.013(4)
C12 0.057(4) 0.173(8) 0.101(5) -0.030(6) 0.012(4) 0.016(5)
C13 0.082(5) 0.156(7) 0.083(5) -0.004(5) 0.017(4) 0.052(5)
C14 0.065(3) 0.110(5) 0.070(4) 0.004(4) 0.021(3) 0.045(4)
C15 0.043(3) 0.073(4) 0.055(3) -0.012(3) 0.018(2) 0.006(2)
C16 0.178(7) 0.113(6) 0.111(6) 0.024(5) -0.069(5) -0.059(6)
C17 0.206(8) 0.144(7) 0.122(6) 0.025(6) -0.084(6) -0.073(7)
C18 0.174(7) 0.151(7) 0.091(5) 0.041(5) -0.051(5) -0.070(6)
C19 0.137(6) 0.124(6) 0.064(4) 0.027(4) -0.029(4) -0.049(5)
C20 0.065(4) 0.048(3) 0.076(4) -0.002(3) 0.026(3) -0.016(3)
C21 0.069(4) 0.065(4) 0.052(3) 0.014(3) 0.007(3) 0.009(3)
C22 0.062(3) 0.050(3) 0.067(4) 0.006(3) 0.033(3) 0.001(3)

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

loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_site_symmetry_2
_geom_bond_publ_flag
Cl1 Yb2 2.6755(13) . ?
Cl1 Yb1 2.7342(12) . ?
Si1 N4 1.719(3) . ?
Si1 C21 1.876(6) . ?
Si1 C22 1.876(6) . ?
Si1 C20 1.884(6) . ?
Si1 Yb2 3.4186(14) . ?
Yb1 O1 2.0742(10) . ?
Yb1 N1 2.284(5) . ?
Yb1 N2 2.371(5) . ?
Yb1 O2 2.376(4) . ?
Yb1 C8 2.613(6) . ?
Yb1 N3 2.656(4) 2_655 ?
Yb1 C9 2.793(6) . ?
Yb1 C15 2.906(6) . ?
Yb1 C10 2.963(6) . ?
Yb1 C5 3.110(6) . ?
Yb1 C4 3.119(6) . ?
Yb2 N4 2.211(5) . ?
Yb2 O1 2.231(4) . ?
Yb2 N3 2.419(4) 2_655 ?
Yb2 N3 2.419(4) . ?
Yb2 Cl1 2.6755(13) 2_655 ?
Yb2 Yb1 3.3815(4) 2_655 ?
Yb2 Si1 3.4186(14) 2_655 ?
O1 Yb1 2.0742(10) 2_655 ?
O2 C19 1.374(9) . ?
O2 C16 1.401(10) . ?
N1 C1 1.356(8) . ?
N1 C4 1.390(8) . ?
N2 C5 1.277(8) . ?
N2 C6 1.463(9) . ?
N3 C8 1.374(7) 2_655 ?
N3 C15 1.383(7) 2_655 ?
N3 Yb1 2.656(4) 2_655 ?
N4 Si1 1.719(3) 2_655 ?
C1 C2 1.374(11) . ?
C1 H1 0.9300 . ?
C2 C3 1.358(13) . ?
C2 H2 0.9300 . ?
C3 C4 1.384(9) . ?
C3 H3 0.9300 . ?
C4 C5 1.417(10) . ?
C5 H5 0.9300 . ?
C6 C7 1.348(12) . ?
C6 H6A 0.9700 . ?
C6 H6B 0.9700 . ?
C7 C9 1.517(10) . ?
C7 H7A 0.9700 . ?
C7 H7B 0.9700 . ?
C8 N3 1.374(7) 2_655 ?
C8 C9 1.376(9) . ?
C8 H8 0.9800 . ?
C9 C10 1.416(11) . ?
C10 C11 1.388(11) . ?
C10 C15 1.420(10) . ?
C11 C12 1.338(15) . ?
C11 H11 0.9300 . ?
C12 C13 1.395(16) . ?
C12 H12 0.9300 . ?
C13 C14 1.426(12) . ?
C13 H13 0.9300 . ?
C14 C15 1.390(10) . ?
C14 H14 0.9300 . ?
C15 N3 1.383(7) 2_655 ?
C16 C17 1.437(13) . ?
C16 H16A 0.9700 . ?
C16 H16B 0.9700 . ?
C17 C18 1.290(15) . ?
C17 H17A 0.9700 . ?
C17 H17B 0.9700 . ?
C18 C19 1.465(13) . ?
C18 H18A 0.9700 . ?
C18 H18B 0.9700 . ?
C19 H19A 0.9700 . ?
C19 H19B 0.9700 . ?
C20 H20A 0.9600 . ?
C20 H20B 0.9600 . ?
C20 H20C 0.9600 . ?
C21 H21A 0.9600 . ?
C21 H21B 0.9600 . ?
C21 H21C 0.9600 . ?
C22 H22A 0.9600 . ?
C22 H22B 0.9600 . ?
C22 H22C 0.9600 . ?

loop_
_geom_angle_atom_site_label_1
_geom_angle_atom_site_label_2
_geom_angle_atom_site_label_3
_geom_angle
_geom_angle_site_symmetry_1
_geom_angle_site_symmetry_3
_geom_angle_publ_flag
Yb2 Cl1 Yb1 77.37(3) . . ?
N4 Si1 C21 111.9(2) . . ?
N4 Si1 C22 112.9(2) . . ?
C21 Si1 C22 105.4(3) . . ?
N4 Si1 C20 112.7(2) . . ?
C21 Si1 C20 108.4(3) . . ?
C22 Si1 C20 105.0(3) . . ?
N4 Si1 Yb2 33.92(15) . . ?
C21 Si1 Yb2 111.9(2) . . ?
C22 Si1 Yb2 81.12(18) . . ?
C20 Si1 Yb2 135.8(2) . . ?
O1 Yb1 N1 91.13(16) . . ?
O1 Yb1 N2 108.08(16) . . ?
N1 Yb1 N2 72.10(18) . . ?
O1 Yb1 O2 157.67(13) . . ?
N1 Yb1 O2 81.36(19) . . ?
N2 Yb1 O2 89.68(17) . . ?
O1 Yb1 C8 72.22(15) . . ?
N1 Yb1 C8 144.04(19) . . ?
N2 Yb1 C8 82.89(17) . . ?
O2 Yb1 C8 124.8(2) . . ?
O1 Yb1 N3 71.84(12) . 2_655 ?
N1 Yb1 N3 162.96(16) . 2_655 ?
N2 Yb1 N3 111.93(15) . 2_655 ?
O2 Yb1 N3 114.67(17) . 2_655 ?
C8 Yb1 N3 30.23(15) . 2_655 ?
O1 Yb1 Cl1 78.98(9) . . ?
N1 Yb1 Cl1 101.18(13) . . ?
N2 Yb1 Cl1 170.02(13) . . ?
O2 Yb1 Cl1 81.89(11) . . ?
C8 Yb1 Cl1 106.30(13) . . ?
N3 Yb1 Cl1 76.69(10) 2_655 . ?
O1 Yb1 C9 99.76(17) . . ?
N1 Yb1 C9 136.38(19) . . ?
N2 Yb1 C9 64.35(19) . . ?
O2 Yb1 C9 100.1(2) . . ?
C8 Yb1 C9 29.3(2) . . ?
N3 Yb1 C9 49.81(16) 2_655 . ?
Cl1 Yb1 C9 122.30(15) . . ?
O1 Yb1 C15 99.51(15) . . ?
N1 Yb1 C15 168.00(17) . . ?
N2 Yb1 C15 109.31(18) . . ?
O2 Yb1 C15 86.71(18) . . ?
C8 Yb1 C15 46.41(18) . . ?
N3 Yb1 C15 28.34(14) 2_655 . ?
Cl1 Yb1 C15 75.69(13) . . ?
C9 Yb1 C15 47.3(2) . . ?
O1 Yb1 C10 116.25(15) . . ?
N1 Yb1 C10 147.50(19) . . ?
N2 Yb1 C10 82.4(2) . . ?
O2 Yb1 C10 78.6(2) . . ?
C8 Yb1 C10 46.2(2) . . ?
N3 Yb1 C10 47.55(15) 2_655 . ?
Cl1 Yb1 C10 101.03(17) . . ?
C9 Yb1 C10 28.3(2) . . ?
C15 Yb1 C10 27.98(19) . . ?
O1 Yb1 C5 101.81(16) . . ?
N1 Yb1 C5 50.29(18) . . ?
N2 Yb1 C5 22.11(18) . . ?
O2 Yb1 C5 89.55(16) . . ?
C8 Yb1 C5 101.08(17) . . ?
N3 Yb1 C5 131.25(15) 2_655 . ?
Cl1 Yb1 C5 151.31(13) . . ?
C9 Yb1 C5 86.1(2) . . ?
C15 Yb1 C5 131.35(18) . . ?
C10 Yb1 C5 104.0(2) . . ?
O1 Yb1 C4 95.71(16) . . ?
N1 Yb1 C4 24.04(18) . . ?
N2 Yb1 C4 48.29(18) . . ?
O2 Yb1 C4 85.98(17) . . ?
C8 Yb1 C4 123.98(18) . . ?
N3 Yb1 C4 153.23(15) 2_655 . ?
Cl1 Yb1 C4 125.22(13) . . ?
C9 Yb1 C4 112.4(2) . . ?
C15 Yb1 C4 156.41(18) . . ?
C10 Yb1 C4 128.4(2) . . ?
C5 Yb1 C4 26.30(18) . . ?
N4 Yb2 O1 180.000(1) . . ?
N4 Yb2 N3 105.61(10) . 2_655 ?
O1 Yb2 N3 74.39(10) . 2_655 ?
N4 Yb2 N3 105.61(10) . . ?
O1 Yb2 N3 74.39(10) . . ?
N3 Yb2 N3 148.8(2) 2_655 . ?
N4 Yb2 Cl1 102.22(3) . 2_655 ?
O1 Yb2 Cl1 77.78(3) . 2_655 ?
N3 Yb2 Cl1 91.53(11) 2_655 2_655 ?
N3 Yb2 Cl1 81.91(11) . 2_655 ?
N4 Yb2 Cl1 102.22(3) . . ?
O1 Yb2 Cl1 77.78(3) . . ?
N3 Yb2 Cl1 81.91(11) 2_655 . ?
N3 Yb2 Cl1 91.53(11) . . ?
Cl1 Yb2 Cl1 155.56(6) 2_655 . ?
N4 Yb2 Yb1 143.374(5) . . ?
O1 Yb2 Yb1 36.626(5) . . ?
N3 Yb2 Yb1 51.29(10) 2_655 . ?
N3 Yb2 Yb1 101.15(10) . . ?
Cl1 Yb2 Yb1 105.94(3) 2_655 . ?
Cl1 Yb2 Yb1 52.09(3) . . ?
N4 Yb2 Yb1 143.374(6) . 2_655 ?
O1 Yb2 Yb1 36.626(5) . 2_655 ?
N3 Yb2 Yb1 101.15(10) 2_655 2_655 ?
N3 Yb2 Yb1 51.29(10) . 2_655 ?
Cl1 Yb2 Yb1 52.09(3) 2_655 2_655 ?
Cl1 Yb2 Yb1 105.94(3) . 2_655 ?
Yb1 Yb2 Yb1 73.251(11) . 2_655 ?
N4 Yb2 Si1 25.71(2) . 2_655 ?
O1 Yb2 Si1 154.29(2) . 2_655 ?
N3 Yb2 Si1 88.21(10) 2_655 2_655 ?
N3 Yb2 Si1 121.07(10) . 2_655 ?
Cl1 Yb2 Si1 84.05(4) 2_655 2_655 ?
Cl1 Yb2 Si1 119.02(4) . 2_655 ?
Yb1 Yb2 Si1 137.70(2) . 2_655 ?
Yb1 Yb2 Si1 134.96(2) 2_655 2_655 ?
N4 Yb2 Si1 25.71(2) . . ?
O1 Yb2 Si1 154.29(2) . . ?
N3 Yb2 Si1 121.07(10) 2_655 . ?
N3 Yb2 Si1 88.21(10) . . ?
Cl1 Yb2 Si1 119.02(4) 2_655 . ?
Cl1 Yb2 Si1 84.05(4) . . ?
Yb1 Yb2 Si1 134.96(2) . . ?
Yb1 Yb2 Si1 137.70(2) 2_655 . ?
Si1 Yb2 Si1 51.42(5) 2_655 . ?
Yb1 O1 Yb1 153.1(2) 2_655 . ?
Yb1 O1 Yb2 103.45(11) 2_655 . ?
Yb1 O1 Yb2 103.45(11) . . ?
C19 O2 C16 105.3(6) . . ?
C19 O2 Yb1 132.1(5) . . ?
C16 O2 Yb1 121.8(5) . . ?
C1 N1 C4 105.0(5) . . ?
C1 N1 Yb1 140.8(5) . . ?
C4 N1 Yb1 114.0(4) . . ?
C5 N2 C6 119.7(6) . . ?
C5 N2 Yb1 113.6(4) . . ?
C6 N2 Yb1 126.6(5) . . ?
C8 N3 C15 105.2(5) 2_655 2_655 ?
C8 N3 Yb2 117.6(4) 2_655 . ?
C15 N3 Yb2 130.2(4) 2_655 . ?
C8 N3 Yb1 73.1(3) 2_655 2_655 ?
C15 N3 Yb1 85.9(3) 2_655 2_655 ?
Yb2 N3 Yb1 83.42(12) . 2_655 ?
Si1 N4 Si1 119.3(3) 2_655 . ?
Si1 N4 Yb2 120.37(16) 2_655 . ?
Si1 N4 Yb2 120.37(16) . . ?
N1 C1 C2 110.9(8) . . ?
N1 C1 H1 124.5 . . ?
C2 C1 H1 124.5 . . ?
C3 C2 C1 107.4(7) . . ?
C3 C2 H2 126.3 . . ?
C1 C2 H2 126.3 . . ?
C2 C3 C4 107.3(7) . . ?
C2 C3 H3 126.3 . . ?
C4 C3 H3 126.3 . . ?
C3 C4 N1 109.3(7) . . ?
C3 C4 C5 132.3(7) . . ?
N1 C4 C5 118.3(5) . . ?
C3 C4 Yb1 151.2(6) . . ?
N1 C4 Yb1 42.0(3) . . ?
C5 C4 Yb1 76.5(3) . . ?
N2 C5 C4 121.1(5) . . ?
N2 C5 Yb1 44.3(3) . . ?
C4 C5 Yb1 77.2(3) . . ?
N2 C5 H5 119.5 . . ?
C4 C5 H5 119.5 . . ?
Yb1 C5 H5 162.3 . . ?
C7 C6 N2 117.1(7) . . ?
C7 C6 H6A 108.0 . . ?
N2 C6 H6A 108.0 . . ?
C7 C6 H6B 108.0 . . ?
N2 C6 H6B 108.0 . . ?
H6A C6 H6B 107.3 . . ?
C6 C7 C9 117.1(7) . . ?
C6 C7 H7A 108.0 . . ?
C9 C7 H7A 108.0 . . ?
C6 C7 H7B 108.0 . . ?
C9 C7 H7B 108.0 . . ?
H7A C7 H7B 107.3 . . ?
N3 C8 C9 113.4(6) 2_655 . ?
N3 C8 Yb1 76.6(3) 2_655 . ?
C9 C8 Yb1 82.7(4) . . ?
N3 C8 H8 122.3 2_655 . ?
C9 C8 H8 122.3 . . ?
Yb1 C8 H8 122.3 . . ?
C8 C9 C10 104.6(6) . . ?
C8 C9 C7 123.5(8) . . ?
C10 C9 C7 131.7(8) . . ?
C8 C9 Yb1 68.1(3) . . ?
C10 C9 Yb1 82.5(4) . . ?
C7 C9 Yb1 109.9(5) . . ?
C11 C10 C9 132.4(8) . . ?
C11 C10 C15 120.0(9) . . ?
C9 C10 C15 107.5(6) . . ?
C11 C10 Yb1 125.5(5) . . ?
C9 C10 Yb1 69.2(3) . . ?
C15 C10 Yb1 73.8(3) . . ?
C12 C11 C10 117.1(10) . . ?
C12 C11 H11 121.4 . . ?
C10 C11 H11 121.4 . . ?
C11 C12 C13 125.5(9) . . ?
C11 C12 H12 117.2 . . ?
C13 C12 H12 117.2 . . ?
C12 C13 C14 118.6(10) . . ?
C12 C13 H13 120.7 . . ?
C14 C13 H13 120.7 . . ?
C15 C14 C13 116.2(9) . . ?
C15 C14 H14 121.9 . . ?
C13 C14 H14 121.9 . . ?
N3 C15 C14 128.5(6) 2_655 . ?
N3 C15 C10 109.0(6) 2_655 . ?
C14 C15 C10 122.5(7) . . ?
N3 C15 Yb1 65.8(3) 2_655 . ?
C14 C15 Yb1 123.0(4) . . ?
C10 C15 Yb1 78.2(4) . . ?
O2 C16 C17 107.8(9) . . ?
O2 C16 H16A 110.2 . . ?
C17 C16 H16A 110.2 . . ?
O2 C16 H16B 110.2 . . ?
C17 C16 H16B 110.2 . . ?
H16A C16 H16B 108.5 . . ?
C18 C17 C16 109.3(10) . . ?
C18 C17 H17A 109.8 . . ?
C16 C17 H17A 109.8 . . ?
C18 C17 H17B 109.8 . . ?
C16 C17 H17B 109.8 . . ?
H17A C17 H17B 108.3 . . ?
C17 C18 C19 107.3(9) . . ?
C17 C18 H18A 110.3 . . ?
C19 C18 H18A 110.3 . . ?
C17 C18 H18B 110.3 . . ?
C19 C18 H18B 110.3 . . ?
H18A C18 H18B 108.5 . . ?
O2 C19 C18 107.8(8) . . ?
O2 C19 H19A 110.1 . . ?
C18 C19 H19A 110.1 . . ?
O2 C19 H19B 110.1 . . ?
C18 C19 H19B 110.1 . . ?
H19A C19 H19B 108.5 . . ?
Si1 C20 H20A 109.5 . . ?
Si1 C20 H20B 109.5 . . ?
H20A C20 H20B 109.5 . . ?
Si1 C20 H20C 109.5 . . ?
H20A C20 H20C 109.5 . . ?
H20B C20 H20C 109.5 . . ?
Si1 C21 H21A 109.5 . . ?
Si1 C21 H21B 109.5 . . ?
H21A C21 H21B 109.5 . . ?
Si1 C21 H21C 109.5 . . ?
H21A C21 H21C 109.5 . . ?
H21B C21 H21C 109.5 . . ?
Si1 C22 H22A 109.5 . . ?
Si1 C22 H22B 109.5 . . ?
H22A C22 H22B 109.5 . . ?
Si1 C22 H22C 109.5 . . ?
H22A C22 H22C 109.5 . . ?
H22B C22 H22C 109.5 . . ?

loop_
_geom_torsion_atom_site_label_1
_geom_torsion_atom_site_label_2
_geom_torsion_atom_site_label_3
_geom_torsion_atom_site_label_4
_geom_torsion
_geom_torsion_site_symmetry_1
_geom_torsion_site_symmetry_2
_geom_torsion_site_symmetry_3
_geom_torsion_site_symmetry_4
_geom_torsion_publ_flag
Yb2 Cl1 Yb1 O1 -31.61(7) . . . . ?
Yb2 Cl1 Yb1 N1 -120.57(13) . . . . ?
Yb2 Cl1 Yb1 N2 -167.4(8) . . . . ?
Yb2 Cl1 Yb1 O2 159.96(15) . . . . ?
Yb2 Cl1 Yb1 C8 35.99(16) . . . . ?
Yb2 Cl1 Yb1 N3 42.12(9) . . . 2_655 ?
Yb2 Cl1 Yb1 C9 63.0(2) . . . . ?
Yb2 Cl1 Yb1 C15 71.30(12) . . . . ?
Yb2 Cl1 Yb1 C10 83.30(14) . . . . ?
Yb2 Cl1 Yb1 C5 -126.1(2) . . . . ?
Yb2 Cl1 Yb1 C4 -120.84(14) . . . . ?
Yb1 Cl1 Yb2 N4 -150.703(19) . . . . ?
Yb1 Cl1 Yb2 O1 29.297(19) . . . . ?
Yb1 Cl1 Yb2 N3 -46.38(10) . . . 2_655 ?
Yb1 Cl1 Yb2 N3 102.96(10) . . . . ?
Yb1 Cl1 Yb2 Cl1 29.297(19) . . . 2_655 ?
Yb1 Cl1 Yb2 Yb1 52.97(3) . . . 2_655 ?
Yb1 Cl1 Yb2 Si1 -129.79(3) . . . 2_655 ?
Yb1 Cl1 Yb2 Si1 -168.99(4) . . . . ?
O1 Yb1 Yb2 N4 180.0 . . . . ?
N1 Yb1 Yb2 N4 132.08(14) . . . . ?
N2 Yb1 Yb2 N4 -130.0(2) . . . . ?
O2 Yb1 Yb2 N4 27.43(18) . . . . ?
C8 Yb1 Yb2 N4 -88.26(16) . . . . ?
N3 Yb1 Yb2 N4 -60.01(13) 2_655 . . . ?
Cl1 Yb1 Yb2 N4 53.29(4) . . . . ?
C9 Yb1 Yb2 N4 -77.76(18) . . . . ?
C15 Yb1 Yb2 N4 -37.12(13) . . . . ?
C10 Yb1 Yb2 N4 -49.46(17) . . . . ?
C5 Yb1 Yb2 N4 -164.7(2) . . . . ?
C4 Yb1 Yb2 N4 157.62(17) . . . . ?
N1 Yb1 Yb2 O1 -47.92(14) . . . . ?
N2 Yb1 Yb2 O1 50.0(2) . . . . ?
O2 Yb1 Yb2 O1 -152.57(18) . . . . ?
C8 Yb1 Yb2 O1 91.74(16) . . . . ?
N3 Yb1 Yb2 O1 119.99(13) 2_655 . . . ?
Cl1 Yb1 Yb2 O1 -126.71(4) . . . . ?
C9 Yb1 Yb2 O1 102.24(18) . . . . ?
C15 Yb1 Yb2 O1 142.88(13) . . . . ?
C10 Yb1 Yb2 O1 130.54(17) . . . . ?
C5 Yb1 Yb2 O1 15.3(2) . . . . ?
C4 Yb1 Yb2 O1 -22.38(17) . . . . ?
O1 Yb1 Yb2 N3 -119.99(13) . . . 2_655 ?
N1 Yb1 Yb2 N3 -167.9(2) . . . 2_655 ?
N2 Yb1 Yb2 N3 -70.0(2) . . . 2_655 ?
O2 Yb1 Yb2 N3 87.4(2) . . . 2_655 ?
C8 Yb1 Yb2 N3 -28.3(2) . . . 2_655 ?
Cl1 Yb1 Yb2 N3 113.30(14) . . . 2_655 ?
C9 Yb1 Yb2 N3 -17.7(2) . . . 2_655 ?
C15 Yb1 Yb2 N3 22.88(19) . . . 2_655 ?
C10 Yb1 Yb2 N3 10.6(2) . . . 2_655 ?
C5 Yb1 Yb2 N3 -104.6(2) . . . 2_655 ?
C4 Yb1 Yb2 N3 -142.4(2) . . . 2_655 ?
O1 Yb1 Yb2 N3 43.54(10) . . . . ?
N1 Yb1 Yb2 N3 -4.38(18) . . . . ?
N2 Yb1 Yb2 N3 93.5(2) . . . . ?
O2 Yb1 Yb2 N3 -109.0(2) . . . . ?
C8 Yb1 Yb2 N3 135.28(19) . . . . ?
N3 Yb1 Yb2 N3 163.53(11) 2_655 . . . ?
Cl1 Yb1 Yb2 N3 -83.17(11) . . . . ?
C9 Yb1 Yb2 N3 145.8(2) . . . . ?
C15 Yb1 Yb2 N3 -173.58(17) . . . . ?
C10 Yb1 Yb2 N3 174.1(2) . . . . ?
C5 Yb1 Yb2 N3 58.9(2) . . . . ?
C4 Yb1 Yb2 N3 21.2(2) . . . . ?
O1 Yb1 Yb2 Cl1 -41.13(3) . . . 2_655 ?
N1 Yb1 Yb2 Cl1 -89.05(15) . . . 2_655 ?
N2 Yb1 Yb2 Cl1 8.8(2) . . . 2_655 ?
O2 Yb1 Yb2 Cl1 166.30(18) . . . 2_655 ?
C8 Yb1 Yb2 Cl1 50.61(17) . . . 2_655 ?
N3 Yb1 Yb2 Cl1 78.86(14) 2_655 . . 2_655 ?
Cl1 Yb1 Yb2 Cl1 -167.84(3) . . . 2_655 ?
C9 Yb1 Yb2 Cl1 61.11(19) . . . 2_655 ?
C15 Yb1 Yb2 Cl1 101.74(14) . . . 2_655 ?
C10 Yb1 Yb2 Cl1 89.41(17) . . . 2_655 ?
C5 Yb1 Yb2 Cl1 -25.8(2) . . . 2_655 ?
C4 Yb1 Yb2 Cl1 -63.52(17) . . . 2_655 ?
O1 Yb1 Yb2 Cl1 126.71(4) . . . . ?
N1 Yb1 Yb2 Cl1 78.79(15) . . . . ?
N2 Yb1 Yb2 Cl1 176.7(2) . . . . ?
O2 Yb1 Yb2 Cl1 -25.86(19) . . . . ?
C8 Yb1 Yb2 Cl1 -141.55(17) . . . . ?
N3 Yb1 Yb2 Cl1 -113.30(14) 2_655 . . . ?
C9 Yb1 Yb2 Cl1 -131.05(19) . . . . ?
C15 Yb1 Yb2 Cl1 -90.41(14) . . . . ?
C10 Yb1 Yb2 Cl1 -102.74(17) . . . . ?
C5 Yb1 Yb2 Cl1 142.1(2) . . . . ?
C4 Yb1 Yb2 Cl1 104.33(17) . . . . ?
O1 Yb1 Yb2 Yb1 0.0 . . . 2_655 ?
N1 Yb1 Yb2 Yb1 -47.92(14) . . . 2_655 ?
N2 Yb1 Yb2 Yb1 50.0(2) . . . 2_655 ?
O2 Yb1 Yb2 Yb1 -152.57(18) . . . 2_655 ?
C8 Yb1 Yb2 Yb1 91.74(16) . . . 2_655 ?
N3 Yb1 Yb2 Yb1 119.99(13) 2_655 . . 2_655 ?
Cl1 Yb1 Yb2 Yb1 -126.71(4) . . . 2_655 ?
C9 Yb1 Yb2 Yb1 102.24(18) . . . 2_655 ?
C15 Yb1 Yb2 Yb1 142.88(13) . . . 2_655 ?
C10 Yb1 Yb2 Yb1 130.54(17) . . . 2_655 ?
C5 Yb1 Yb2 Yb1 15.3(2) . . . 2_655 ?
C4 Yb1 Yb2 Yb1 -22.38(17) . . . 2_655 ?
O1 Yb1 Yb2 Si1 -139.97(4) . . . 2_655 ?
N1 Yb1 Yb2 Si1 172.11(15) . . . 2_655 ?
N2 Yb1 Yb2 Si1 -90.0(2) . . . 2_655 ?
O2 Yb1 Yb2 Si1 67.47(19) . . . 2_655 ?
C8 Yb1 Yb2 Si1 -48.23(17) . . . 2_655 ?
N3 Yb1 Yb2 Si1 -19.97(14) 2_655 . . 2_655 ?
Cl1 Yb1 Yb2 Si1 93.32(5) . . . 2_655 ?
C9 Yb1 Yb2 Si1 -37.72(19) . . . 2_655 ?
C15 Yb1 Yb2 Si1 2.91(14) . . . 2_655 ?
C10 Yb1 Yb2 Si1 -9.42(17) . . . 2_655 ?
C5 Yb1 Yb2 Si1 -124.6(2) . . . 2_655 ?
C4 Yb1 Yb2 Si1 -162.35(17) . . . 2_655 ?
O1 Yb1 Yb2 Si1 142.28(3) . . . . ?
N1 Yb1 Yb2 Si1 94.36(15) . . . . ?
N2 Yb1 Yb2 Si1 -167.7(2) . . . . ?
O2 Yb1 Yb2 Si1 -10.29(18) . . . . ?
C8 Yb1 Yb2 Si1 -125.98(17) . . . . ?
N3 Yb1 Yb2 Si1 -97.73(14) 2_655 . . . ?
Cl1 Yb1 Yb2 Si1 15.57(5) . . . . ?
C9 Yb1 Yb2 Si1 -115.48(19) . . . . ?
C15 Yb1 Yb2 Si1 -74.85(14) . . . . ?
C10 Yb1 Yb2 Si1 -87.18(17) . . . . ?
C5 Yb1 Yb2 Si1 157.6(2) . . . . ?
C4 Yb1 Yb2 Si1 119.89(17) . . . . ?
C21 Si1 Yb2 N4 -96.9(2) . . . . ?
C22 Si1 Yb2 N4 159.9(2) . . . . ?
C20 Si1 Yb2 N4 57.5(3) . . . . ?
N4 Si1 Yb2 O1 180.000(2) . . . . ?
C21 Si1 Yb2 O1 83.1(2) . . . . ?
C22 Si1 Yb2 O1 -20.1(2) . . . . ?
C20 Si1 Yb2 O1 -122.5(3) . . . . ?
N4 Si1 Yb2 N3 58.18(13) . . . 2_655 ?
C21 Si1 Yb2 N3 -38.8(3) . . . 2_655 ?
C22 Si1 Yb2 N3 -141.9(2) . . . 2_655 ?
C20 Si1 Yb2 N3 115.7(3) . . . 2_655 ?
N4 Si1 Yb2 N3 -133.27(11) . . . . ?
C21 Si1 Yb2 N3 129.8(3) . . . . ?
C22 Si1 Yb2 N3 26.7(2) . . . . ?
C20 Si1 Yb2 N3 -75.8(3) . . . . ?
N4 Si1 Yb2 Cl1 -53.54(7) . . . 2_655 ?
C21 Si1 Yb2 Cl1 -150.5(2) . . . 2_655 ?
C22 Si1 Yb2 Cl1 106.4(2) . . . 2_655 ?
C20 Si1 Yb2 Cl1 4.0(3) . . . 2_655 ?
N4 Si1 Yb2 Cl1 135.00(6) . . . . ?
C21 Si1 Yb2 Cl1 38.1(2) . . . . ?
C22 Si1 Yb2 Cl1 -65.1(2) . . . . ?
C20 Si1 Yb2 Cl1 -167.5(3) . . . . ?
N4 Si1 Yb2 Yb1 122.71(4) . . . . ?
C21 Si1 Yb2 Yb1 25.8(2) . . . . ?
C22 Si1 Yb2 Yb1 -77.4(2) . . . . ?
C20 Si1 Yb2 Yb1 -179.8(3) . . . . ?
N4 Si1 Yb2 Yb1 -117.80(4) . . . 2_655 ?
C21 Si1 Yb2 Yb1 145.3(2) . . . 2_655 ?
C22 Si1 Yb2 Yb1 42.1(2) . . . 2_655 ?
C20 Si1 Yb2 Yb1 -60.3(3) . . . 2_655 ?
N4 Si1 Yb2 Si1 0.0 . . . 2_655 ?
C21 Si1 Yb2 Si1 -96.9(2) . . . 2_655 ?
C22 Si1 Yb2 Si1 159.9(2) . . . 2_655 ?
C20 Si1 Yb2 Si1 57.5(3) . . . 2_655 ?
N1 Yb1 O1 Yb1 -39.73(12) . . . 2_655 ?
N2 Yb1 O1 Yb1 31.79(13) . . . 2_655 ?
O2 Yb1 O1 Yb1 -109.4(4) . . . 2_655 ?
C8 Yb1 O1 Yb1 107.82(14) . . . 2_655 ?
N3 Yb1 O1 Yb1 139.63(10) 2_655 . . 2_655 ?
Cl1 Yb1 O1 Yb1 -140.91(3) . . . 2_655 ?
C9 Yb1 O1 Yb1 97.84(16) . . . 2_655 ?
C15 Yb1 O1 Yb1 145.83(13) . . . 2_655 ?
C10 Yb1 O1 Yb1 122.13(19) . . . 2_655 ?
C5 Yb1 O1 Yb1 9.82(13) . . . 2_655 ?
C4 Yb1 O1 Yb1 -16.09(13) . . . 2_655 ?
N1 Yb1 O1 Yb2 140.27(12) . . . . ?
N2 Yb1 O1 Yb2 -148.21(13) . . . . ?
O2 Yb1 O1 Yb2 70.6(4) . . . . ?
C8 Yb1 O1 Yb2 -72.18(14) . . . . ?
N3 Yb1 O1 Yb2 -40.37(10) 2_655 . . . ?
Cl1 Yb1 O1 Yb2 39.09(3) . . . . ?
C9 Yb1 O1 Yb2 -82.16(16) . . . . ?
C15 Yb1 O1 Yb2 -34.17(13) . . . . ?
C10 Yb1 O1 Yb2 -57.87(19) . . . . ?
C5 Yb1 O1 Yb2 -170.18(13) . . . . ?
C4 Yb1 O1 Yb2 163.91(13) . . . . ?
N4 Yb2 O1 Yb1 -136(100) . . . 2_655 ?
N3 Yb2 O1 Yb1 -135.43(11) 2_655 . . 2_655 ?
N3 Yb2 O1 Yb1 44.57(11) . . . 2_655 ?
Cl1 Yb2 O1 Yb1 -40.33(3) 2_655 . . 2_655 ?
Cl1 Yb2 O1 Yb1 139.67(3) . . . 2_655 ?
Yb1 Yb2 O1 Yb1 180.0 . . . 2_655 ?
Si1 Yb2 O1 Yb1 -86.35(6) 2_655 . . 2_655 ?
Si1 Yb2 O1 Yb1 93.65(6) . . . 2_655 ?
N4 Yb2 O1 Yb1 44(100) . . . . ?
N3 Yb2 O1 Yb1 44.57(11) 2_655 . . . ?
N3 Yb2 O1 Yb1 -135.43(11) . . . . ?
Cl1 Yb2 O1 Yb1 139.67(3) 2_655 . . . ?
Cl1 Yb2 O1 Yb1 -40.33(3) . . . . ?
Yb1 Yb2 O1 Yb1 180.0 2_655 . . . ?
Si1 Yb2 O1 Yb1 93.65(6) 2_655 . . . ?
Si1 Yb2 O1 Yb1 -86.35(6) . . . . ?
O1 Yb1 O2 C19 -37.7(11) . . . . ?
N1 Yb1 O2 C19 -109.2(9) . . . . ?
N2 Yb1 O2 C19 178.9(9) . . . . ?
C8 Yb1 O2 C19 97.8(9) . . . . ?
N3 Yb1 O2 C19 64.8(9) 2_655 . . . ?
Cl1 Yb1 O2 C19 -6.5(9) . . . . ?
C9 Yb1 O2 C19 115.1(9) . . . . ?
C15 Yb1 O2 C19 69.6(9) . . . . ?
C10 Yb1 O2 C19 96.6(9) . . . . ?
C5 Yb1 O2 C19 -159.0(9) . . . . ?
C4 Yb1 O2 C19 -132.9(9) . . . . ?
O1 Yb1 O2 C16 130.5(8) . . . . ?
N1 Yb1 O2 C16 59.0(8) . . . . ?
N2 Yb1 O2 C16 -12.9(8) . . . . ?
C8 Yb1 O2 C16 -94.0(8) . . . . ?
N3 Yb1 O2 C16 -127.0(8) 2_655 . . . ?
Cl1 Yb1 O2 C16 161.7(8) . . . . ?
C9 Yb1 O2 C16 -76.7(8) . . . . ?
C15 Yb1 O2 C16 -122.3(8) . . . . ?
C10 Yb1 O2 C16 -95.2(8) . . . . ?
C5 Yb1 O2 C16 9.2(8) . . . . ?
C4 Yb1 O2 C16 35.3(8) . . . . ?
O1 Yb1 N1 C1 -72.7(7) . . . . ?
N2 Yb1 N1 C1 178.6(8) . . . . ?
O2 Yb1 N1 C1 86.1(7) . . . . ?
C8 Yb1 N1 C1 -133.2(7) . . . . ?
N3 Yb1 N1 C1 -74.8(9) 2_655 . . . ?
Cl1 Yb1 N1 C1 6.3(7) . . . . ?
C9 Yb1 N1 C1 -178.2(7) . . . . ?
C15 Yb1 N1 C1 79.9(12) . . . . ?
C10 Yb1 N1 C1 138.6(7) . . . . ?
C5 Yb1 N1 C1 -177.2(8) . . . . ?
C4 Yb1 N1 C1 -174.3(10) . . . . ?
O1 Yb1 N1 C4 101.5(4) . . . . ?
N2 Yb1 N1 C4 -7.1(4) . . . . ?
O2 Yb1 N1 C4 -99.6(4) . . . . ?
C8 Yb1 N1 C4 41.1(6) . . . . ?
N3 Yb1 N1 C4 99.5(6) 2_655 . . . ?
Cl1 Yb1 N1 C4 -179.5(4) . . . . ?
C9 Yb1 N1 C4 -3.9(6) . . . . ?
C15 Yb1 N1 C4 -105.8(9) . . . . ?
C10 Yb1 N1 C4 -47.2(6) . . . . ?
C5 Yb1 N1 C4 -2.9(4) . . . . ?
O1 Yb1 N2 C5 -76.6(5) . . . . ?
N1 Yb1 N2 C5 8.6(4) . . . . ?
O2 Yb1 N2 C5 89.6(5) . . . . ?
C8 Yb1 N2 C5 -145.3(5) . . . . ?
N3 Yb1 N2 C5 -153.8(4) 2_655 . . . ?
Cl1 Yb1 N2 C5 57.3(10) . . . . ?
C9 Yb1 N2 C5 -169.0(5) . . . . ?
C15 Yb1 N2 C5 176.0(4) . . . . ?
C10 Yb1 N2 C5 168.2(5) . . . . ?
C4 Yb1 N2 C5 4.7(4) . . . . ?
O1 Yb1 N2 C6 99.3(7) . . . . ?
N1 Yb1 N2 C6 -175.5(7) . . . . ?
O2 Yb1 N2 C6 -94.4(7) . . . . ?
C8 Yb1 N2 C6 30.7(7) . . . . ?
N3 Yb1 N2 C6 22.2(7) 2_655 . . . ?
Cl1 Yb1 N2 C6 -126.7(8) . . . . ?
C9 Yb1 N2 C6 7.0(7) . . . . ?
C15 Yb1 N2 C6 -8.0(7) . . . . ?
C10 Yb1 N2 C6 -15.9(7) . . . . ?
C5 Yb1 N2 C6 176.0(9) . . . . ?
C4 Yb1 N2 C6 -179.3(7) . . . . ?
N4 Yb2 N3 C8 -145.4(4) . . . 2_655 ?
O1 Yb2 N3 C8 34.6(4) . . . 2_655 ?
N3 Yb2 N3 C8 34.6(4) 2_655 . . 2_655 ?
Cl1 Yb2 N3 C8 114.1(4) 2_655 . . 2_655 ?
Cl1 Yb2 N3 C8 -42.2(4) . . . 2_655 ?
Yb1 Yb2 N3 C8 9.4(4) . . . 2_655 ?
Yb1 Yb2 N3 C8 67.1(4) 2_655 . . 2_655 ?
Si1 Yb2 N3 C8 -167.9(3) 2_655 . . 2_655 ?
Si1 Yb2 N3 C8 -126.2(4) . . . 2_655 ?
N4 Yb2 N3 C15 68.6(5) . . . 2_655 ?
O1 Yb2 N3 C15 -111.4(5) . . . 2_655 ?
N3 Yb2 N3 C15 -111.4(5) 2_655 . . 2_655 ?
Cl1 Yb2 N3 C15 -31.9(4) 2_655 . . 2_655 ?
Cl1 Yb2 N3 C15 171.7(5) . . . 2_655 ?
Yb1 Yb2 N3 C15 -136.7(4) . . . 2_655 ?
Yb1 Yb2 N3 C15 -79.0(5) 2_655 . . 2_655 ?
Si1 Yb2 N3 C15 46.1(5) 2_655 . . 2_655 ?
Si1 Yb2 N3 C15 87.7(5) . . . 2_655 ?
N4 Yb2 N3 Yb1 147.55(6) . . . 2_655 ?
O1 Yb2 N3 Yb1 -32.45(6) . . . 2_655 ?
N3 Yb2 N3 Yb1 -32.45(6) 2_655 . . 2_655 ?
Cl1 Yb2 N3 Yb1 47.05(8) 2_655 . . 2_655 ?
Cl1 Yb2 N3 Yb1 -109.31(9) . . . 2_655 ?
Yb1 Yb2 N3 Yb1 -57.70(10) . . . 2_655 ?
Si1 Yb2 N3 Yb1 125.05(7) 2_655 . . 2_655 ?
Si1 Yb2 N3 Yb1 166.70(9) . . . 2_655 ?
C21 Si1 N4 Si1 -82.9(3) . . . 2_655 ?
C22 Si1 N4 Si1 158.4(2) . . . 2_655 ?
C20 Si1 N4 Si1 39.6(2) . . . 2_655 ?
Yb2 Si1 N4 Si1 180.000(1) . . . 2_655 ?
C21 Si1 N4 Yb2 97.1(3) . . . . ?
C22 Si1 N4 Yb2 -21.6(2) . . . . ?
C20 Si1 N4 Yb2 -140.4(2) . . . . ?
O1 Yb2 N4 Si1 50(100) . . . 2_655 ?
N3 Yb2 N4 Si1 49.08(12) 2_655 . . 2_655 ?
N3 Yb2 N4 Si1 -130.92(12) . . . 2_655 ?
Cl1 Yb2 N4 Si1 -46.02(6) 2_655 . . 2_655 ?
Cl1 Yb2 N4 Si1 133.98(6) . . . 2_655 ?
Yb1 Yb2 N4 Si1 93.65(6) . . . 2_655 ?
Yb1 Yb2 N4 Si1 -86.35(6) 2_655 . . 2_655 ?
Si1 Yb2 N4 Si1 180.000(1) . . . 2_655 ?
O1 Yb2 N4 Si1 -130(100) . . . . ?
N3 Yb2 N4 Si1 -130.92(12) 2_655 . . . ?
N3 Yb2 N4 Si1 49.08(12) . . . . ?
Cl1 Yb2 N4 Si1 133.98(6) 2_655 . . . ?
Cl1 Yb2 N4 Si1 -46.02(6) . . . . ?
Yb1 Yb2 N4 Si1 -86.35(6) . . . . ?
Yb1 Yb2 N4 Si1 93.65(6) 2_655 . . . ?
Si1 Yb2 N4 Si1 180.000(2) 2_655 . . . ?
C4 N1 C1 C2 0.1(8) . . . . ?
Yb1 N1 C1 C2 174.7(6) . . . . ?
N1 C1 C2 C3 -0.2(10) . . . . ?
C1 C2 C3 C4 0.2(10) . . . . ?
C2 C3 C4 N1 -0.1(9) . . . . ?
C2 C3 C4 C5 177.7(7) . . . . ?
C2 C3 C4 Yb1 -5.4(14) . . . . ?
C1 N1 C4 C3 0.0(7) . . . . ?
Yb1 N1 C4 C3 -176.2(5) . . . . ?
C1 N1 C4 C5 -178.1(6) . . . . ?
Yb1 N1 C4 C5 5.6(7) . . . . ?
C1 N1 C4 Yb1 176.3(6) . . . . ?
O1 Yb1 C4 C3 -72.5(10) . . . . ?
N1 Yb1 C4 C3 7.4(9) . . . . ?
N2 Yb1 C4 C3 178.3(11) . . . . ?
O2 Yb1 C4 C3 85.2(10) . . . . ?
C8 Yb1 C4 C3 -144.9(10) . . . . ?
N3 Yb1 C4 C3 -132.7(10) 2_655 . . . ?
Cl1 Yb1 C4 C3 8.0(11) . . . . ?
C9 Yb1 C4 C3 -175.5(10) . . . . ?
C15 Yb1 C4 C3 157.4(9) . . . . ?
C10 Yb1 C4 C3 157.2(10) . . . . ?
C5 Yb1 C4 C3 -177.7(12) . . . . ?
O1 Yb1 C4 N1 -79.9(4) . . . . ?
N2 Yb1 C4 N1 170.9(5) . . . . ?
O2 Yb1 C4 N1 77.8(4) . . . . ?
C8 Yb1 C4 N1 -152.3(4) . . . . ?
N3 Yb1 C4 N1 -140.1(4) 2_655 . . . ?
Cl1 Yb1 C4 N1 0.6(5) . . . . ?
C9 Yb1 C4 N1 177.1(4) . . . . ?
C15 Yb1 C4 N1 150.0(5) . . . . ?
C10 Yb1 C4 N1 149.8(4) . . . . ?
C5 Yb1 C4 N1 174.9(6) . . . . ?
O1 Yb1 C4 C5 105.2(3) . . . . ?
N1 Yb1 C4 C5 -174.9(6) . . . . ?
N2 Yb1 C4 C5 -4.0(3) . . . . ?
O2 Yb1 C4 C5 -97.2(4) . . . . ?
C8 Yb1 C4 C5 32.8(4) . . . . ?
N3 Yb1 C4 C5 45.0(6) 2_655 . . . ?
Cl1 Yb1 C4 C5 -174.3(3) . . . . ?
C9 Yb1 C4 C5 2.2(4) . . . . ?
C15 Yb1 C4 C5 -24.9(6) . . . . ?
C10 Yb1 C4 C5 -25.1(5) . . . . ?
C6 N2 C5 C4 174.7(7) . . . . ?
Yb1 N2 C5 C4 -9.1(8) . . . . ?
C6 N2 C5 Yb1 -176.3(9) . . . . ?
C3 C4 C5 N2 -175.0(7) . . . . ?
N1 C4 C5 N2 2.6(9) . . . . ?
Yb1 C4 C5 N2 6.5(6) . . . . ?
C3 C4 C5 Yb1 178.5(8) . . . . ?
N1 C4 C5 Yb1 -3.9(5) . . . . ?
O1 Yb1 C5 N2 109.1(4) . . . . ?
N1 Yb1 C5 N2 -169.4(5) . . . . ?
O2 Yb1 C5 N2 -90.3(5) . . . . ?
C8 Yb1 C5 N2 35.2(5) . . . . ?
N3 Yb1 C5 N2 33.0(5) 2_655 . . . ?
Cl1 Yb1 C5 N2 -162.3(4) . . . . ?
C9 Yb1 C5 N2 9.9(5) . . . . ?
C15 Yb1 C5 N2 -5.0(5) . . . . ?
C10 Yb1 C5 N2 -12.1(5) . . . . ?
C4 Yb1 C5 N2 -172.1(7) . . . . ?
O1 Yb1 C5 C4 -78.8(3) . . . . ?
N1 Yb1 C5 C4 2.7(3) . . . . ?
N2 Yb1 C5 C4 172.1(7) . . . . ?
O2 Yb1 C5 C4 81.8(4) . . . . ?
C8 Yb1 C5 C4 -152.7(4) . . . . ?
N3 Yb1 C5 C4 -154.9(3) 2_655 . . . ?
Cl1 Yb1 C5 C4 9.8(5) . . . . ?
C9 Yb1 C5 C4 -178.0(4) . . . . ?
C15 Yb1 C5 C4 167.0(3) . . . . ?
C10 Yb1 C5 C4 160.0(4) . . . . ?
C5 N2 C6 C7 154.3(9) . . . . ?
Yb1 N2 C6 C7 -21.4(13) . . . . ?
N2 C6 C7 C9 26.4(14) . . . . ?
O1 Yb1 C8 N3 84.3(3) . . . 2_655 ?
N1 Yb1 C8 N3 150.3(3) . . . 2_655 ?
N2 Yb1 C8 N3 -164.1(4) . . . 2_655 ?
O2 Yb1 C8 N3 -79.5(4) . . . 2_655 ?
Cl1 Yb1 C8 N3 11.9(4) . . . 2_655 ?
C9 Yb1 C8 N3 -116.2(6) . . . 2_655 ?
C15 Yb1 C8 N3 -38.7(3) . . . 2_655 ?
C10 Yb1 C8 N3 -77.8(4) . . . 2_655 ?
C5 Yb1 C8 N3 -176.7(3) . . . 2_655 ?
C4 Yb1 C8 N3 169.1(3) . . . 2_655 ?
O1 Yb1 C8 C9 -159.5(5) . . . . ?
N1 Yb1 C8 C9 -93.5(5) . . . . ?
N2 Yb1 C8 C9 -47.9(4) . . . . ?
O2 Yb1 C8 C9 36.7(5) . . . . ?
N3 Yb1 C8 C9 116.2(6) 2_655 . . . ?
Cl1 Yb1 C8 C9 128.1(4) . . . . ?
C15 Yb1 C8 C9 77.4(5) . . . . ?
C10 Yb1 C8 C9 38.4(4) . . . . ?
C5 Yb1 C8 C9 -60.5(5) . . . . ?
C4 Yb1 C8 C9 -74.7(5) . . . . ?
N3 C8 C9 C10 -3.5(7) 2_655 . . . ?
Yb1 C8 C9 C10 -75.5(4) . . . . ?
N3 C8 C9 C7 172.0(6) 2_655 . . . ?
Yb1 C8 C9 C7 100.0(6) . . . . ?
N3 C8 C9 Yb1 72.0(4) 2_655 . . . ?
C6 C7 C9 C8 -95.7(11) . . . . ?
C6 C7 C9 C10 78.5(12) . . . . ?
C6 C7 C9 Yb1 -19.4(12) . . . . ?
O1 Yb1 C9 C8 19.7(5) . . . . ?
N1 Yb1 C9 C8 121.8(4) . . . . ?
N2 Yb1 C9 C8 125.2(5) . . . . ?
O2 Yb1 C9 C8 -150.1(4) . . . . ?
N3 Yb1 C9 C8 -36.3(4) 2_655 . . . ?
Cl1 Yb1 C9 C8 -63.3(5) . . . . ?
C15 Yb1 C9 C8 -74.2(4) . . . . ?
C10 Yb1 C9 C8 -109.1(6) . . . . ?
C5 Yb1 C9 C8 121.1(4) . . . . ?
C4 Yb1 C9 C8 120.1(4) . . . . ?
O1 Yb1 C9 C10 128.9(4) . . . . ?
N1 Yb1 C9 C10 -129.0(4) . . . . ?
N2 Yb1 C9 C10 -125.7(5) . . . . ?
O2 Yb1 C9 C10 -41.0(4) . . . . ?
C8 Yb1 C9 C10 109.1(6) . . . . ?
N3 Yb1 C9 C10 72.9(4) 2_655 . . . ?
Cl1 Yb1 C9 C10 45.8(5) . . . . ?
C15 Yb1 C9 C10 34.9(4) . . . . ?
C5 Yb1 C9 C10 -129.8(4) . . . . ?
C4 Yb1 C9 C10 -130.8(4) . . . . ?
O1 Yb1 C9 C7 -99.4(6) . . . . ?
N1 Yb1 C9 C7 2.7(8) . . . . ?
N2 Yb1 C9 C7 6.1(6) . . . . ?
O2 Yb1 C9 C7 90.8(6) . . . . ?
C8 Yb1 C9 C7 -119.1(9) . . . . ?
N3 Yb1 C9 C7 -155.4(7) 2_655 . . . ?
Cl1 Yb1 C9 C7 177.6(6) . . . . ?
C15 Yb1 C9 C7 166.6(8) . . . . ?
C10 Yb1 C9 C7 131.8(8) . . . . ?
C5 Yb1 C9 C7 1.9(6) . . . . ?
C4 Yb1 C9 C7 1.0(7) . . . . ?
C8 C9 C10 C11 -175.4(8) . . . . ?
C7 C9 C10 C11 9.6(13) . . . . ?
Yb1 C9 C10 C11 119.6(8) . . . . ?
C8 C9 C10 C15 0.6(7) . . . . ?
C7 C9 C10 C15 -174.4(7) . . . . ?
Yb1 C9 C10 C15 -64.3(4) . . . . ?
C8 C9 C10 Yb1 64.9(4) . . . . ?
C7 C9 C10 Yb1 -110.1(8) . . . . ?
O1 Yb1 C10 C11 173.2(8) . . . . ?
N1 Yb1 C10 C11 -42.2(10) . . . . ?
N2 Yb1 C10 C11 -80.3(8) . . . . ?
O2 Yb1 C10 C11 10.9(8) . . . . ?
C8 Yb1 C10 C11 -167.7(10) . . . . ?
N3 Yb1 C10 C11 150.4(10) 2_655 . . . ?
Cl1 Yb1 C10 C11 90.2(8) . . . . ?
C9 Yb1 C10 C11 -127.9(10) . . . . ?
C15 Yb1 C10 C11 115.6(10) . . . . ?
C5 Yb1 C10 C11 -75.8(9) . . . . ?
C4 Yb1 C10 C11 -64.6(9) . . . . ?
O1 Yb1 C10 C9 -58.8(4) . . . . ?
N1 Yb1 C10 C9 85.8(5) . . . . ?
N2 Yb1 C10 C9 47.6(4) . . . . ?
O2 Yb1 C10 C9 138.8(4) . . . . ?
C8 Yb1 C10 C9 -39.8(4) . . . . ?
N3 Yb1 C10 C9 -81.6(4) 2_655 . . . ?
Cl1 Yb1 C10 C9 -141.9(4) . . . . ?
C15 Yb1 C10 C9 -116.5(6) . . . . ?
C5 Yb1 C10 C9 52.2(4) . . . . ?
C4 Yb1 C10 C9 63.4(4) . . . . ?
O1 Yb1 C10 C15 57.6(5) . . . . ?
N1 Yb1 C10 C15 -157.8(4) . . . . ?
N2 Yb1 C10 C15 164.1(4) . . . . ?
O2 Yb1 C10 C15 -104.7(4) . . . . ?
C8 Yb1 C10 C15 76.7(4) . . . . ?
N3 Yb1 C10 C15 34.9(3) 2_655 . . . ?
Cl1 Yb1 C10 C15 -25.4(4) . . . . ?
C9 Yb1 C10 C15 116.5(6) . . . . ?
C5 Yb1 C10 C15 168.7(4) . . . . ?
C4 Yb1 C10 C15 179.8(3) . . . . ?
C9 C10 C11 C12 174.6(8) . . . . ?
C15 C10 C11 C12 -1.1(12) . . . . ?
Yb1 C10 C11 C12 -91.9(10) . . . . ?
C10 C11 C12 C13 1.3(15) . . . . ?
C11 C12 C13 C14 -0.2(15) . . . . ?
C12 C13 C14 C15 -1.1(11) . . . . ?
C13 C14 C15 N3 -177.8(6) . . . 2_655 ?
C13 C14 C15 C10 1.3(9) . . . . ?
C13 C14 C15 Yb1 98.5(6) . . . . ?
C11 C10 C15 N3 179.0(6) . . . 2_655 ?
C9 C10 C15 N3 2.4(7) . . . 2_655 ?
Yb1 C10 C15 N3 -59.0(4) . . . 2_655 ?
C11 C10 C15 C14 -0.2(10) . . . . ?
C9 C10 C15 C14 -176.9(6) . . . . ?
Yb1 C10 C15 C14 121.8(6) . . . . ?
C11 C10 C15 Yb1 -122.0(6) . . . . ?
C9 C10 C15 Yb1 61.3(4) . . . . ?
O1 Yb1 C15 N3 -12.5(3) . . . 2_655 ?
N1 Yb1 C15 N3 -164.7(7) . . . 2_655 ?
N2 Yb1 C15 N3 100.6(3) . . . 2_655 ?
O2 Yb1 C15 N3 -170.9(3) . . . 2_655 ?
C8 Yb1 C15 N3 41.6(3) . . . 2_655 ?
Cl1 Yb1 C15 N3 -88.4(3) . . . 2_655 ?
C9 Yb1 C15 N3 82.1(4) . . . 2_655 ?
C10 Yb1 C15 N3 117.3(6) . . . 2_655 ?
C5 Yb1 C15 N3 102.6(3) . . . 2_655 ?
C4 Yb1 C15 N3 117.0(4) . . . 2_655 ?
O1 Yb1 C15 C14 109.0(6) . . . . ?
N1 Yb1 C15 C14 -43.3(12) . . . . ?
N2 Yb1 C15 C14 -138.0(6) . . . . ?
O2 Yb1 C15 C14 -49.5(6) . . . . ?
C8 Yb1 C15 C14 163.0(7) . . . . ?
N3 Yb1 C15 C14 121.4(7) 2_655 . . . ?
Cl1 Yb1 C15 C14 33.0(6) . . . . ?
C9 Yb1 C15 C14 -156.5(7) . . . . ?
C10 Yb1 C15 C14 -121.2(8) . . . . ?
C5 Yb1 C15 C14 -136.0(6) . . . . ?
C4 Yb1 C15 C14 -121.6(6) . . . . ?
O1 Yb1 C15 C10 -129.8(4) . . . . ?
N1 Yb1 C15 C10 77.9(10) . . . . ?
N2 Yb1 C15 C10 -16.7(5) . . . . ?
O2 Yb1 C15 C10 71.8(4) . . . . ?
C8 Yb1 C15 C10 -75.8(4) . . . . ?
N3 Yb1 C15 C10 -117.3(6) 2_655 . . . ?
Cl1 Yb1 C15 C10 154.2(4) . . . . ?
C9 Yb1 C15 C10 -35.3(4) . . . . ?
C5 Yb1 C15 C10 -14.7(5) . . . . ?
C4 Yb1 C15 C10 -0.3(7) . . . . ?
C19 O2 C16 C17 -12.4(8) . . . . ?
Yb1 O2 C16 C17 176.6(4) . . . . ?
O2 C16 C17 C18 3.9(8) . . . . ?
C16 C17 C18 C19 5.9(12) . . . . ?
C16 O2 C19 C18 15.9(13) . . . . ?
Yb1 O2 C19 C18 -174.5(7) . . . . ?
C17 C18 C19 O2 -14.0(15) . . . . ?

_diffrn_measured_fraction_theta_max 1.000
_diffrn_reflns_theta_full        27.00
_diffrn_measured_fraction_theta_full 1.000
_refine_diff_density_max         1.111
_refine_diff_density_min         -1.651
_refine_diff_density_rms         0.206
_database_code_depnum_ccdc_archive 'CCDC 935214'
#######################################################################
#
#                 Cambridge Crystallographic Data Centre
#                                CCDC 
# 
#######################################################################
# 
#  This CIF contains data from an original supplementary publication
#  deposited with the CCDC, and may include chemical, crystal,
#  experimental, refinement, atomic coordinates,
#  anisotropic displacement parameters and molecular geometry data,
#  as required by the journal to which it was submitted.
#
#  This CIF is provided on the understanding that it is used for bona
#  fide research purposes only. It may contain copyright material
#  of the CCDC or of third parties, and may not be copied or further
#  disseminated in any form, whether machine-readable or not,
#  except for the purpose of generating routine backup copies
#  on your local computer system.
# 
#  For further information on the CCDC, data deposition and
#  data retrieval see:
#                         www.ccdc.cam.ac.uk
#
#  Bona fide researchers may freely download Mercury and enCIFer
#  from this site to visualise CIF-encoded structures and 
#  to carry out CIF format checking respectively.
#
data_a

_audit_creation_method           SHELXL-97
_chemical_name_systematic        
; 
 ? 
;
_chemical_name_common            ?
_chemical_melting_point          ?
_chemical_formula_moiety         ?
_chemical_formula_sum            'C44 H68 Li N8 Si4 Yb'
_chemical_formula_weight         1001.40

loop_
_atom_type_symbol
_atom_type_description
_atom_type_scat_dispersion_real
_atom_type_scat_dispersion_imag
_atom_type_scat_source
C C 0.0033 0.0016 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
H H 0.0000 0.0000 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Li Li -0.0003 0.0001 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
N N 0.0061 0.0033 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Si Si 0.0817 0.0704 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Yb Yb -0.3850 5.5486 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'

_symmetry_cell_setting           Monoclinic
_symmetry_space_group_name_H-M   P2(1)/n

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

_cell_length_a                   20.7098(15)
_cell_length_b                   12.4225(9)
_cell_length_c                   22.7076(16)
_cell_angle_alpha                90.00
_cell_angle_beta                 108.2260(10)
_cell_angle_gamma                90.00
_cell_volume                     5548.8(7)
_cell_formula_units_Z            4
_cell_measurement_temperature    293(2)
_cell_measurement_reflns_used    9960
_cell_measurement_theta_min      2.29
_cell_measurement_theta_max      24.85

_exptl_crystal_description       diamond
_exptl_crystal_colour            brown
_exptl_crystal_size_max          0.15
_exptl_crystal_size_mid          0.14
_exptl_crystal_size_min          0.12
_exptl_crystal_density_meas      ?
_exptl_crystal_density_diffrn    1.199
_exptl_crystal_density_method    'not measured'
_exptl_crystal_F_000             2068
_exptl_absorpt_coefficient_mu    1.806
_exptl_absorpt_correction_type   none
_exptl_absorpt_correction_T_min  0.7734
_exptl_absorpt_correction_T_max  0.8125
_exptl_absorpt_process_details   ?

_exptl_special_details           
; 
 ? 
;

_diffrn_ambient_temperature      293(2)
_diffrn_radiation_wavelength     0.71073
_diffrn_radiation_type           MoK\a
_diffrn_radiation_source         'fine-focus sealed tube'
_diffrn_radiation_monochromator  graphite
_diffrn_measurement_device_type  'CCD area detector'
_diffrn_measurement_method       'phi and omega scans'
_diffrn_detector_area_resol_mean ?
_diffrn_standards_number         ?
_diffrn_standards_interval_count ?
_diffrn_standards_interval_time  ?
_diffrn_standards_decay_%        ?
_diffrn_reflns_number            43525
_diffrn_reflns_av_R_equivalents  0.0441
_diffrn_reflns_av_sigmaI/netI    0.0488
_diffrn_reflns_limit_h_min       -25
_diffrn_reflns_limit_h_max       25
_diffrn_reflns_limit_k_min       -14
_diffrn_reflns_limit_k_max       15
_diffrn_reflns_limit_l_min       -28
_diffrn_reflns_limit_l_max       28
_diffrn_reflns_theta_min         1.60
_diffrn_reflns_theta_max         26.50
_reflns_number_total             11465
_reflns_number_gt                6845
_reflns_threshold_expression     >2sigma(I)

_computing_data_collection       'Bruker SMART'
_computing_cell_refinement       'Bruker SMART'
_computing_data_reduction        'Bruker SAINT'
_computing_structure_solution    'SHELXS-97 (Sheldrick, 1990)'
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 1997)'
_computing_molecular_graphics    'Bruker SHELXTL'
_computing_publication_material  'Bruker SHELXTL'

_refine_special_details          
; 
 Refinement of F^2^ against ALL reflections.  The weighted R-factor wR and 
 goodness of fit S are based on F^2^, conventional R-factors R are based 
 on F, with F set to zero for negative F^2^. The threshold expression of 
 F^2^ > 2sigma(F^2^) is used only for calculating R-factors(gt) etc. and is 
 not relevant to the choice of reflections for refinement.  R-factors based 
 on F^2^ are statistically about twice as large as those based on F, and R- 
 factors based on ALL data will be even larger. 
;

_refine_ls_structure_factor_coef Fsqd
_refine_ls_matrix_type           full
_refine_ls_weighting_scheme      calc
_refine_ls_weighting_details     
'calc w=1/[\s^2^(Fo^2^)+(0.0464P)^2^+0.0000P] where P=(Fo^2^+2Fc^2^)/3'
_atom_sites_solution_primary     direct
_atom_sites_solution_secondary   difmap
_atom_sites_solution_hydrogens   geom
_refine_ls_hydrogen_treatment    constr
_refine_ls_extinction_method     none
_refine_ls_extinction_coef       ?
_refine_ls_number_reflns         11465
_refine_ls_number_parameters     534
_refine_ls_number_restraints     0
_refine_ls_R_factor_all          0.0754
_refine_ls_R_factor_gt           0.0374
_refine_ls_wR_factor_ref         0.0942
_refine_ls_wR_factor_gt          0.0849
_refine_ls_goodness_of_fit_ref   0.957
_refine_ls_restrained_S_all      0.957
_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_symmetry_multiplicity
_atom_site_calc_flag
_atom_site_refinement_flags
_atom_site_disorder_assembly
_atom_site_disorder_group
Yb Yb 0.960304(8) 0.253196(14) 0.206575(8) 0.04610(7) Uani 1 1 d . . .
Si1 Si 1.02775(6) 0.37513(10) 0.34196(5) 0.0563(3) Uani 1 1 d . . .
Si2 Si 0.97973(7) 0.52716(10) 0.23603(7) 0.0643(4) Uani 1 1 d . . .
Si3 Si 0.82767(7) 0.17324(10) 0.24615(6) 0.0622(3) Uani 1 1 d . . .
Si4 Si 0.91644(7) -0.00835(10) 0.23084(7) 0.0703(4) Uani 1 1 d . . .
Li Li 1.1426(5) 0.2221(6) 0.0879(4) 0.071(2) Uani 1 1 d . . .
N1 N 0.91923(18) 0.2863(3) 0.10433(15) 0.0580(9) Uani 1 1 d . . .
N2 N 1.08991(18) 0.3219(3) 0.02062(16) 0.0559(9) Uani 1 1 d . . .
N3 N 1.2445(2) 0.4737(3) 0.0563(2) 0.0709(11) Uani 1 1 d . . .
N4 N 1.05460(17) 0.1861(3) 0.18930(16) 0.0560(9) Uani 1 1 d . . .
N5 N 1.17002(19) 0.0950(3) 0.04523(16) 0.0600(10) Uani 1 1 d . . .
N6 N 1.3197(2) 0.1367(3) -0.0033(2) 0.0795(12) Uani 1 1 d . . .
N7 N 0.98986(15) 0.3983(2) 0.26446(13) 0.0454(8) Uani 1 1 d . . .
N8 N 0.89832(15) 0.1262(2) 0.23057(15) 0.0493(8) Uani 1 1 d . . .
C1 C 0.9627(2) 0.3259(4) 0.0738(2) 0.0686(13) Uani 1 1 d . . .
H1A H 1.0067 0.3487 0.0946 0.082 Uiso 1 1 calc R . .
C2 C 0.9356(2) 0.3288(3) 0.01086(19) 0.0553(11) Uani 1 1 d . . .
C3 C 0.8681(2) 0.2918(3) -0.00110(19) 0.0480(10) Uani 1 1 d . . .
C4 C 0.8139(2) 0.2763(3) -0.0552(2) 0.0612(12) Uani 1 1 d . . .
H4A H 0.8186 0.2924 -0.0937 0.073 Uiso 1 1 calc R . .
C5 C 0.7538(3) 0.2374(4) -0.0512(2) 0.0732(14) Uani 1 1 d . . .
H5A H 0.7174 0.2280 -0.0872 0.088 Uiso 1 1 calc R . .
C6 C 0.7458(3) 0.2116(4) 0.0056(3) 0.0772(15) Uani 1 1 d . . .
H6A H 0.7041 0.1858 0.0070 0.093 Uiso 1 1 calc R . .
C7 C 0.7986(2) 0.2236(4) 0.0599(2) 0.0642(13) Uani 1 1 d . . .
H7A H 0.7937 0.2042 0.0978 0.077 Uiso 1 1 calc R . .
C8 C 0.8598(2) 0.2655(3) 0.0565(2) 0.0494(10) Uani 1 1 d . . .
C9 C 0.9680(2) 0.3585(4) -0.03696(19) 0.0661(12) Uani 1 1 d . . .
H9A H 0.9788 0.4347 -0.0328 0.079 Uiso 1 1 calc R . .
H9B H 0.9350 0.3478 -0.0776 0.079 Uiso 1 1 calc R . .
C10 C 1.0318(3) 0.2973(4) -0.0345(2) 0.0694(13) Uani 1 1 d . . .
H10A H 1.0224 0.2208 -0.0352 0.083 Uiso 1 1 calc R . .
H10B H 1.0441 0.3141 -0.0714 0.083 Uiso 1 1 calc R . .
C11 C 1.1305(2) 0.3958(3) 0.0140(2) 0.0591(11) Uani 1 1 d . . .
H11A H 1.1465 0.3768 -0.0210 0.071 Uiso 1 1 calc R . .
C12 C 1.1876(2) 0.4292(3) 0.0650(2) 0.0602(12) Uani 1 1 d . . .
C13 C 1.1971(3) 0.4254(4) 0.1274(2) 0.0759(14) Uani 1 1 d . . .
H13A H 1.1664 0.3998 0.1465 0.091 Uiso 1 1 calc R . .
C14 C 1.2622(3) 0.4674(5) 0.1570(3) 0.0976(19) Uani 1 1 d . . .
H14A H 1.2827 0.4744 0.1996 0.117 Uiso 1 1 calc R . .
C15 C 1.2895(3) 0.4959(4) 0.1123(3) 0.0921(18) Uani 1 1 d . . .
H15A H 1.3324 0.5259 0.1190 0.110 Uiso 1 1 calc R . .
C16 C 1.2569(3) 0.4883(4) -0.0027(3) 0.0936(18) Uani 1 1 d . . .
H16A H 1.2217 0.5324 -0.0293 0.140 Uiso 1 1 calc R . .
H16B H 1.2571 0.4195 -0.0218 0.140 Uiso 1 1 calc R . .
H16C H 1.3001 0.5228 0.0041 0.140 Uiso 1 1 calc R . .
C17 C 1.0470(2) 0.1048(4) 0.1463(2) 0.0670(13) Uani 1 1 d . . .
H17A H 1.0047 0.0788 0.1227 0.080 Uiso 1 1 calc R . .
C18 C 1.1060(2) 0.0660(3) 0.1411(2) 0.0595(11) Uani 1 1 d . . .
C19 C 1.1580(2) 0.1276(3) 0.18427(19) 0.0537(11) Uani 1 1 d . . .
C20 C 1.2289(2) 0.1306(4) 0.2011(2) 0.0720(13) Uani 1 1 d . . .
H20A H 1.2522 0.0832 0.1834 0.086 Uiso 1 1 calc R . .
C21 C 1.2637(3) 0.2049(5) 0.2444(3) 0.0882(17) Uani 1 1 d . . .
H21A H 1.3109 0.2070 0.2562 0.106 Uiso 1 1 calc R . .
C22 C 1.2295(3) 0.2763(4) 0.2705(2) 0.0811(16) Uani 1 1 d . . .
H22A H 1.2543 0.3264 0.2991 0.097 Uiso 1 1 calc R . .
C23 C 1.1591(2) 0.2756(4) 0.2555(2) 0.0625(12) Uani 1 1 d . . .
H23A H 1.1368 0.3240 0.2737 0.075 Uiso 1 1 calc R . .
C24 C 1.1234(2) 0.2010(3) 0.21276(19) 0.0514(10) Uani 1 1 d . . .
C25 C 1.1152(3) -0.0245(3) 0.0997(2) 0.0736(14) Uani 1 1 d . . .
H25A H 1.0783 -0.0754 0.0939 0.088 Uiso 1 1 calc R . .
H25B H 1.1573 -0.0620 0.1206 0.088 Uiso 1 1 calc R . .
C26 C 1.1172(2) 0.0124(4) 0.0363(2) 0.0679(13) Uani 1 1 d . . .
H26A H 1.1273 -0.0482 0.0137 0.081 Uiso 1 1 calc R . .
H26B H 1.0734 0.0417 0.0126 0.081 Uiso 1 1 calc R . .
C27 C 1.2183(2) 0.0771(4) 0.0224(2) 0.0618(12) Uani 1 1 d . . .
H27A H 1.2158 0.0158 -0.0017 0.074 Uiso 1 1 calc R . .
C28 C 1.2759(2) 0.1462(4) 0.0320(2) 0.0620(12) Uani 1 1 d . . .
C29 C 1.3039(3) 0.2234(3) 0.0760(3) 0.0737(14) Uani 1 1 d . . .
H29A H 1.2857 0.2472 0.1063 0.088 Uiso 1 1 calc R . .
C30 C 1.3630(3) 0.2595(4) 0.0677(3) 0.0886(17) Uani 1 1 d . . .
H30A H 1.3917 0.3120 0.0912 0.106 Uiso 1 1 calc R . .
C31 C 1.3722(3) 0.2058(5) 0.0198(3) 0.0941(18) Uani 1 1 d . . .
H31A H 1.4088 0.2145 0.0047 0.113 Uiso 1 1 calc R . .
C32 C 1.3120(3) 0.0656(5) -0.0560(3) 0.116(2) Uani 1 1 d . . .
H32A H 1.3509 0.0727 -0.0701 0.173 Uiso 1 1 calc R . .
H32B H 1.2717 0.0849 -0.0888 0.173 Uiso 1 1 calc R . .
H32C H 1.3084 -0.0075 -0.0437 0.173 Uiso 1 1 calc R . .
C33 C 1.1084(2) 0.4519(4) 0.3768(2) 0.0789(15) Uani 1 1 d . . .
H33A H 1.1269 0.4343 0.4200 0.118 Uiso 1 1 calc R . .
H33B H 1.0991 0.5277 0.3724 0.118 Uiso 1 1 calc R . .
H33C H 1.1406 0.4332 0.3559 0.118 Uiso 1 1 calc R . .
C34 C 0.9718(3) 0.4069(5) 0.3905(2) 0.0982(18) Uani 1 1 d . . .
H34A H 0.9926 0.3806 0.4318 0.147 Uiso 1 1 calc R . .
H34B H 0.9284 0.3729 0.3728 0.147 Uiso 1 1 calc R . .
H34C H 0.9658 0.4834 0.3916 0.147 Uiso 1 1 calc R . .
C35 C 1.0480(3) 0.2273(3) 0.3524(2) 0.0739(15) Uani 1 1 d . . .
H35A H 1.0787 0.2148 0.3933 0.111 Uiso 1 1 calc R . .
H35B H 1.0688 0.2042 0.3222 0.111 Uiso 1 1 calc R . .
H35C H 1.0068 0.1874 0.3470 0.111 Uiso 1 1 calc R . .
C36 C 0.9022(3) 0.5415(4) 0.1671(3) 0.0941(18) Uani 1 1 d . . .
H36A H 0.8989 0.6141 0.1521 0.141 Uiso 1 1 calc R . .
H36B H 0.8626 0.5246 0.1787 0.141 Uiso 1 1 calc R . .
H36C H 0.9051 0.4931 0.1351 0.141 Uiso 1 1 calc R . .
C37 C 0.9690(3) 0.6300(4) 0.2928(3) 0.112(2) Uani 1 1 d . . .
H37A H 0.9648 0.7002 0.2744 0.168 Uiso 1 1 calc R . .
H37B H 1.0079 0.6284 0.3294 0.168 Uiso 1 1 calc R . .
H37C H 0.9288 0.6139 0.3037 0.168 Uiso 1 1 calc R . .
C38 C 1.0530(3) 0.5696(5) 0.2109(3) 0.120(2) Uani 1 1 d . . .
H38A H 1.0470 0.6431 0.1971 0.179 Uiso 1 1 calc R . .
H38B H 1.0558 0.5244 0.1774 0.179 Uiso 1 1 calc R . .
H38C H 1.0942 0.5632 0.2450 0.179 Uiso 1 1 calc R . .
C39 C 0.8182(2) 0.3203(3) 0.2255(3) 0.0823(16) Uani 1 1 d . . .
H39C H 0.8568 0.3438 0.2139 0.124 Uiso 1 1 calc R . .
H39A H 0.8157 0.3610 0.2606 0.124 Uiso 1 1 calc R . .
H39B H 0.7775 0.3311 0.1914 0.124 Uiso 1 1 calc R . .
C40 C 0.7453(2) 0.1092(4) 0.1999(3) 0.0882(16) Uani 1 1 d . . .
H40A H 0.7178 0.0965 0.2263 0.132 Uiso 1 1 calc R . .
H40B H 0.7544 0.0420 0.1832 0.132 Uiso 1 1 calc R . .
H40C H 0.7216 0.1562 0.1667 0.132 Uiso 1 1 calc R . .
C41 C 0.8321(3) 0.1629(5) 0.3295(2) 0.107(2) Uani 1 1 d . . .
H41A H 0.7891 0.1386 0.3322 0.161 Uiso 1 1 calc R . .
H41B H 0.8425 0.2322 0.3488 0.161 Uiso 1 1 calc R . .
H41C H 0.8670 0.1125 0.3503 0.161 Uiso 1 1 calc R . .
C42 C 1.0076(3) -0.0369(4) 0.2706(3) 0.0971(18) Uani 1 1 d . . .
H42A H 1.0171 -0.1107 0.2639 0.146 Uiso 1 1 calc R . .
H42B H 1.0178 -0.0240 0.3143 0.146 Uiso 1 1 calc R . .
H42C H 1.0350 0.0093 0.2543 0.146 Uiso 1 1 calc R . .
C43 C 0.8949(3) -0.0616(5) 0.1501(3) 0.117(2) Uani 1 1 d . . .
H43A H 0.9204 -0.1261 0.1501 0.176 Uiso 1 1 calc R . .
H43B H 0.9059 -0.0086 0.1240 0.176 Uiso 1 1 calc R . .
H43C H 0.8471 -0.0775 0.1347 0.176 Uiso 1 1 calc R . .
C44 C 0.8673(3) -0.0930(4) 0.2708(4) 0.151(3) Uani 1 1 d . . .
H44A H 0.8797 -0.1672 0.2696 0.227 Uiso 1 1 calc R . .
H44B H 0.8195 -0.0847 0.2500 0.227 Uiso 1 1 calc R . .
H44C H 0.8777 -0.0702 0.3131 0.227 Uiso 1 1 calc R . .

loop_
_atom_site_aniso_label
_atom_site_aniso_U_11
_atom_site_aniso_U_22
_atom_site_aniso_U_33
_atom_site_aniso_U_23
_atom_site_aniso_U_13
_atom_site_aniso_U_12
Yb 0.04228(10) 0.05471(11) 0.04397(10) -0.00224(10) 0.01733(7) -0.00351(10)
Si1 0.0622(8) 0.0597(7) 0.0466(7) -0.0028(6) 0.0163(6) 0.0058(6)
Si2 0.0627(9) 0.0537(7) 0.0729(9) 0.0121(7) 0.0160(7) 0.0012(6)
Si3 0.0535(8) 0.0637(8) 0.0779(9) -0.0024(7) 0.0330(7) -0.0031(6)
Si4 0.0664(9) 0.0488(7) 0.1029(11) 0.0050(7) 0.0367(8) 0.0019(6)
Li 0.096(7) 0.061(5) 0.061(5) 0.011(4) 0.033(5) 0.011(4)
N1 0.051(2) 0.081(2) 0.040(2) 0.0004(17) 0.0118(17) -0.0129(18)
N2 0.055(2) 0.056(2) 0.059(2) 0.0013(18) 0.0214(19) -0.0025(18)
N3 0.070(3) 0.058(2) 0.078(3) 0.009(2) 0.014(2) -0.006(2)
N4 0.046(2) 0.069(2) 0.057(2) -0.0107(19) 0.0229(18) -0.0024(18)
N5 0.067(3) 0.060(2) 0.060(2) 0.0001(18) 0.029(2) 0.004(2)
N6 0.085(3) 0.084(3) 0.085(3) 0.004(2) 0.049(3) 0.000(3)
N7 0.0467(19) 0.0467(18) 0.0435(18) 0.0017(15) 0.0150(15) 0.0004(15)
N8 0.045(2) 0.0484(18) 0.060(2) 0.0037(16) 0.0237(17) -0.0010(15)
C1 0.052(3) 0.097(4) 0.055(3) 0.005(3) 0.014(2) -0.019(3)
C2 0.057(3) 0.061(3) 0.048(3) 0.008(2) 0.015(2) -0.002(2)
C3 0.049(3) 0.0418(19) 0.051(3) 0.0009(18) 0.011(2) -0.0006(18)
C4 0.060(3) 0.063(3) 0.055(3) 0.001(2) 0.009(2) -0.001(2)
C5 0.065(3) 0.078(3) 0.064(3) -0.006(3) 0.002(2) -0.019(3)
C6 0.057(3) 0.084(3) 0.085(4) 0.002(3) 0.015(3) -0.018(3)
C7 0.056(3) 0.072(3) 0.062(3) 0.002(2) 0.016(2) -0.011(2)
C8 0.045(2) 0.046(2) 0.055(3) -0.0026(19) 0.0121(19) -0.0009(19)
C9 0.060(3) 0.086(3) 0.052(3) 0.012(2) 0.016(2) -0.006(3)
C10 0.079(4) 0.075(3) 0.061(3) -0.001(3) 0.033(3) -0.013(3)
C11 0.063(3) 0.058(3) 0.062(3) 0.001(2) 0.028(3) 0.007(2)
C12 0.062(3) 0.047(2) 0.068(3) 0.004(2) 0.015(3) 0.003(2)
C13 0.086(4) 0.068(3) 0.073(4) -0.002(3) 0.024(3) 0.014(3)
C14 0.107(5) 0.080(4) 0.088(5) -0.016(3) 0.004(4) 0.011(4)
C15 0.073(4) 0.066(3) 0.119(5) -0.004(3) 0.003(4) -0.007(3)
C16 0.078(4) 0.091(4) 0.112(5) 0.017(4) 0.028(4) -0.015(3)
C17 0.062(3) 0.073(3) 0.071(3) -0.014(3) 0.030(3) -0.012(2)
C18 0.068(3) 0.055(3) 0.065(3) 0.001(2) 0.034(3) 0.000(2)
C19 0.058(3) 0.054(2) 0.053(3) 0.012(2) 0.024(2) 0.006(2)
C20 0.056(3) 0.093(4) 0.070(3) 0.010(3) 0.023(3) 0.023(3)
C21 0.044(3) 0.138(5) 0.074(4) 0.003(4) 0.007(3) 0.008(3)
C22 0.062(3) 0.118(4) 0.056(3) -0.009(3) 0.008(3) -0.013(3)
C23 0.059(3) 0.080(3) 0.049(3) -0.004(2) 0.016(2) 0.001(2)
C24 0.053(3) 0.057(2) 0.046(3) 0.010(2) 0.018(2) 0.002(2)
C25 0.089(4) 0.056(3) 0.089(4) -0.010(3) 0.048(3) -0.005(3)
C26 0.072(3) 0.066(3) 0.071(3) -0.016(2) 0.031(3) -0.006(3)
C27 0.074(3) 0.057(3) 0.060(3) -0.002(2) 0.029(3) 0.006(3)
C28 0.072(3) 0.060(3) 0.062(3) 0.009(2) 0.033(3) 0.013(2)
C29 0.079(4) 0.055(3) 0.088(4) -0.001(2) 0.027(3) 0.009(2)
C30 0.075(4) 0.078(4) 0.112(5) -0.014(3) 0.028(3) -0.009(3)
C31 0.085(4) 0.090(4) 0.120(5) 0.012(4) 0.050(4) -0.011(4)
C32 0.132(6) 0.139(5) 0.105(5) -0.026(4) 0.079(4) -0.028(5)
C33 0.069(3) 0.078(3) 0.071(3) -0.016(3) -0.005(3) 0.006(3)
C34 0.119(5) 0.126(5) 0.063(3) -0.010(3) 0.048(3) 0.007(4)
C35 0.085(4) 0.067(3) 0.060(3) 0.006(2) 0.009(3) 0.003(2)
C36 0.089(4) 0.079(3) 0.103(4) 0.035(3) 0.013(3) 0.007(3)
C37 0.128(5) 0.067(3) 0.124(5) -0.011(3) 0.014(4) 0.033(3)
C38 0.100(5) 0.118(5) 0.147(6) 0.050(4) 0.047(4) -0.020(4)
C39 0.054(3) 0.060(3) 0.142(5) -0.007(3) 0.045(3) 0.007(2)
C40 0.053(3) 0.088(4) 0.128(5) 0.004(3) 0.035(3) -0.011(3)
C41 0.103(5) 0.138(5) 0.105(5) -0.004(4) 0.068(4) -0.006(4)
C42 0.092(4) 0.063(3) 0.133(5) 0.014(3) 0.030(4) 0.024(3)
C43 0.113(5) 0.086(4) 0.149(6) -0.051(4) 0.035(4) -0.013(4)
C44 0.150(6) 0.070(4) 0.284(9) 0.069(5) 0.141(6) 0.019(4)

_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
Yb N7 2.202(3) . ?
Yb N8 2.207(3) . ?
Yb N1 2.247(3) . ?
Yb N4 2.268(3) . ?
Yb C1 3.162(4) . ?
Yb C17 3.168(5) . ?
Yb Si3 3.2990(13) . ?
Yb Si1 3.3182(12) . ?
Yb Si4 3.4638(13) . ?
Yb Si2 3.4674(13) . ?
Si1 N7 1.712(3) . ?
Si1 C33 1.871(5) . ?
Si1 C34 1.873(5) . ?
Si1 C35 1.882(4) . ?
Si2 N7 1.714(3) . ?
Si2 C38 1.858(6) . ?
Si2 C36 1.868(5) . ?
Si2 C37 1.877(5) . ?
Si3 N8 1.712(3) . ?
Si3 C41 1.871(5) . ?
Si3 C40 1.878(5) . ?
Si3 C39 1.881(5) . ?
Si4 N8 1.713(3) . ?
Si4 C42 1.854(5) . ?
Si4 C43 1.867(6) . ?
Si4 C44 1.881(5) . ?
Li N2 2.005(9) . ?
Li N5 2.024(8) . ?
Li C19 2.415(9) . ?
Li C18 2.524(9) . ?
Li C11 2.697(8) . ?
N1 C1 1.386(5) . ?
N1 C8 1.387(5) . ?
N2 C11 1.285(5) . ?
N2 C10 1.473(5) . ?
N3 C15 1.349(6) . ?
N3 C12 1.369(6) . ?
N3 C16 1.453(6) . ?
N4 C24 1.370(5) . ?
N4 C17 1.379(5) . ?
N5 C27 1.282(5) . ?
N5 C26 1.467(5) . ?
N6 C31 1.356(6) . ?
N6 C28 1.388(5) . ?
N6 C32 1.455(6) . ?
C1 C2 1.363(5) . ?
C1 H1A 0.9300 . ?
C2 C3 1.415(5) . ?
C2 C9 1.490(5) . ?
C3 C4 1.395(6) . ?
C3 C8 1.410(6) . ?
C4 C5 1.365(7) . ?
C4 H4A 0.9300 . ?
C5 C6 1.388(7) . ?
C5 H5A 0.9300 . ?
C6 C7 1.377(6) . ?
C6 H6A 0.9300 . ?
C7 C8 1.394(6) . ?
C7 H7A 0.9300 . ?
C9 C10 1.510(6) . ?
C9 H9A 0.9700 . ?
C9 H9B 0.9700 . ?
C10 H10A 0.9700 . ?
C10 H10B 0.9700 . ?
C11 C12 1.434(6) . ?
C11 H11A 0.9800 . ?
C12 C13 1.370(6) . ?
C13 C14 1.406(7) . ?
C13 H13A 0.9300 . ?
C14 C15 1.357(8) . ?
C14 H14A 0.9300 . ?
C15 H15A 0.9300 . ?
C16 H16A 0.9600 . ?
C16 H16B 0.9600 . ?
C16 H16C 0.9600 . ?
C17 C18 1.353(6) . ?
C17 H17A 0.9300 . ?
C18 C19 1.431(6) . ?
C18 C25 1.515(6) . ?
C19 C20 1.396(6) . ?
C19 C24 1.432(5) . ?
C20 C21 1.376(7) . ?
C20 H20A 0.9300 . ?
C21 C22 1.379(7) . ?
C21 H21A 0.9300 . ?
C22 C23 1.388(6) . ?
C22 H22A 0.9300 . ?
C23 C24 1.378(6) . ?
C23 H23A 0.9300 . ?
C25 C26 1.523(6) . ?
C25 H25A 0.9700 . ?
C25 H25B 0.9700 . ?
C26 H26A 0.9700 . ?
C26 H26B 0.9700 . ?
C27 C28 1.430(6) . ?
C27 H27A 0.9300 . ?
C28 C29 1.376(6) . ?
C29 C30 1.371(7) . ?
C29 H29A 0.9300 . ?
C30 C31 1.340(8) . ?
C30 H30A 0.9300 . ?
C31 H31A 0.9300 . ?
C32 H32A 0.9600 . ?
C32 H32B 0.9600 . ?
C32 H32C 0.9600 . ?
C33 H33A 0.9600 . ?
C33 H33B 0.9600 . ?
C33 H33C 0.9600 . ?
C34 H34A 0.9600 . ?
C34 H34B 0.9600 . ?
C34 H34C 0.9600 . ?
C35 H35A 0.9600 . ?
C35 H35B 0.9600 . ?
C35 H35C 0.9600 . ?
C36 H36A 0.9600 . ?
C36 H36B 0.9600 . ?
C36 H36C 0.9600 . ?
C37 H37A 0.9600 . ?
C37 H37B 0.9600 . ?
C37 H37C 0.9600 . ?
C38 H38A 0.9600 . ?
C38 H38B 0.9600 . ?
C38 H38C 0.9600 . ?
C39 H39C 0.9600 . ?
C39 H39A 0.9600 . ?
C39 H39B 0.9600 . ?
C40 H40A 0.9600 . ?
C40 H40B 0.9600 . ?
C40 H40C 0.9600 . ?
C41 H41A 0.9600 . ?
C41 H41B 0.9600 . ?
C41 H41C 0.9600 . ?
C42 H42A 0.9600 . ?
C42 H42B 0.9600 . ?
C42 H42C 0.9600 . ?
C43 H43A 0.9600 . ?
C43 H43B 0.9600 . ?
C43 H43C 0.9600 . ?
C44 H44A 0.9600 . ?
C44 H44B 0.9600 . ?
C44 H44C 0.9600 . ?

loop_
_geom_angle_atom_site_label_1
_geom_angle_atom_site_label_2
_geom_angle_atom_site_label_3
_geom_angle
_geom_angle_site_symmetry_1
_geom_angle_site_symmetry_3
_geom_angle_publ_flag
N7 Yb N8 120.82(11) . . ?
N7 Yb N1 114.30(12) . . ?
N8 Yb N1 108.95(12) . . ?
N7 Yb N4 108.10(12) . . ?
N8 Yb N4 112.25(12) . . ?
N1 Yb N4 87.53(13) . . ?
N7 Yb C1 104.52(11) . . ?
N8 Yb C1 128.56(12) . . ?
N1 Yb C1 22.52(11) . . ?
N4 Yb C1 70.69(12) . . ?
N7 Yb C17 130.17(12) . . ?
N8 Yb C17 98.22(11) . . ?
N1 Yb C17 75.07(13) . . ?
N4 Yb C17 22.48(11) . . ?
C1 Yb C17 64.80(12) . . ?
N7 Yb Si3 100.58(8) . . ?
N8 Yb Si3 28.28(8) . . ?
N1 Yb Si3 104.97(9) . . ?
N4 Yb Si3 140.52(9) . . ?
C1 Yb Si3 127.46(9) . . ?
C17 Yb Si3 125.13(8) . . ?
N7 Yb Si1 27.79(8) . . ?
N8 Yb Si1 101.91(8) . . ?
N1 Yb Si1 141.94(9) . . ?
N4 Yb Si1 101.09(9) . . ?
C1 Yb Si1 128.70(9) . . ?
C17 Yb Si1 122.34(9) . . ?
Si3 Yb Si1 91.73(3) . . ?
N7 Yb Si4 135.29(8) . . ?
N8 Yb Si4 24.30(8) . . ?
N1 Yb Si4 107.63(9) . . ?
N4 Yb Si4 88.02(9) . . ?
C1 Yb Si4 120.18(9) . . ?
C17 Yb Si4 74.65(8) . . ?
Si3 Yb Si4 52.56(3) . . ?
Si1 Yb Si4 109.64(3) . . ?
N7 Yb Si2 24.15(8) . . ?
N8 Yb Si2 134.05(8) . . ?
N1 Yb Si2 90.17(10) . . ?
N4 Yb Si2 109.89(9) . . ?
C1 Yb Si2 82.41(9) . . ?
C17 Yb Si2 127.39(8) . . ?
Si3 Yb Si2 107.41(3) . . ?
Si1 Yb Si2 51.93(3) . . ?
Si4 Yb Si2 155.55(4) . . ?
N7 Si1 C33 114.24(19) . . ?
N7 Si1 C34 113.6(2) . . ?
C33 Si1 C34 106.2(2) . . ?
N7 Si1 C35 107.82(19) . . ?
C33 Si1 C35 108.1(2) . . ?
C34 Si1 C35 106.6(2) . . ?
N7 Si1 Yb 36.84(10) . . ?
C33 Si1 Yb 133.33(17) . . ?
C34 Si1 Yb 118.84(18) . . ?
C35 Si1 Yb 71.58(15) . . ?
N7 Si2 C38 111.4(2) . . ?
N7 Si2 C36 112.1(2) . . ?
C38 Si2 C36 106.7(3) . . ?
N7 Si2 C37 113.8(2) . . ?
C38 Si2 C37 107.6(3) . . ?
C36 Si2 C37 104.8(3) . . ?
N7 Si2 Yb 31.71(10) . . ?
C38 Si2 Yb 106.0(2) . . ?
C36 Si2 Yb 85.09(17) . . ?
C37 Si2 Yb 140.3(2) . . ?
N8 Si3 C41 114.3(2) . . ?
N8 Si3 C40 115.2(2) . . ?
C41 Si3 C40 106.6(3) . . ?
N8 Si3 C39 107.97(18) . . ?
C41 Si3 C39 106.7(3) . . ?
C40 Si3 C39 105.5(2) . . ?
N8 Si3 Yb 37.64(10) . . ?
C41 Si3 Yb 120.97(19) . . ?
C40 Si3 Yb 131.59(17) . . ?
C39 Si3 Yb 70.73(14) . . ?
N8 Si4 C42 112.1(2) . . ?
N8 Si4 C43 110.9(2) . . ?
C42 Si4 C43 107.8(3) . . ?
N8 Si4 C44 113.3(2) . . ?
C42 Si4 C44 106.3(3) . . ?
C43 Si4 C44 106.0(3) . . ?
N8 Si4 Yb 32.01(11) . . ?
C42 Si4 Yb 88.80(17) . . ?
C43 Si4 Yb 99.8(2) . . ?
C44 Si4 Yb 144.0(2) . . ?
N2 Li N5 106.6(4) . . ?
N2 Li C19 151.3(5) . . ?
N5 Li C19 94.4(3) . . ?
N2 Li C18 131.8(5) . . ?
N5 Li C18 78.5(3) . . ?
C19 Li C18 33.58(16) . . ?
N2 Li C11 26.92(16) . . ?
N5 Li C11 108.2(3) . . ?
C19 Li C11 155.9(4) . . ?
C18 Li C11 158.3(4) . . ?
C1 N1 C8 103.3(3) . . ?
C1 N1 Yb 119.1(3) . . ?
C8 N1 Yb 137.0(3) . . ?
C11 N2 C10 116.0(4) . . ?
C11 N2 Li 108.1(4) . . ?
C10 N2 Li 128.7(4) . . ?
C15 N3 C12 108.7(5) . . ?
C15 N3 C16 125.0(5) . . ?
C12 N3 C16 126.2(4) . . ?
C24 N4 C17 104.4(4) . . ?
C24 N4 Yb 137.0(3) . . ?
C17 N4 Yb 118.6(3) . . ?
C27 N5 C26 117.7(4) . . ?
C27 N5 Li 134.4(4) . . ?
C26 N5 Li 107.7(4) . . ?
C31 N6 C28 108.2(5) . . ?
C31 N6 C32 124.7(5) . . ?
C28 N6 C32 127.1(5) . . ?
Si1 N7 Si2 120.45(18) . . ?
Si1 N7 Yb 115.36(15) . . ?
Si2 N7 Yb 124.14(16) . . ?
Si3 N8 Si4 122.18(18) . . ?
Si3 N8 Yb 114.08(15) . . ?
Si4 N8 Yb 123.69(17) . . ?
C2 C1 N1 114.6(4) . . ?
C2 C1 Yb 152.1(3) . . ?
N1 C1 Yb 38.38(19) . . ?
C2 C1 H1A 122.7 . . ?
N1 C1 H1A 122.7 . . ?
Yb C1 H1A 84.7 . . ?
C1 C2 C3 104.5(4) . . ?
C1 C2 C9 129.8(4) . . ?
C3 C2 C9 125.7(4) . . ?
C4 C3 C8 119.2(4) . . ?
C4 C3 C2 133.5(4) . . ?
C8 C3 C2 107.3(4) . . ?
C5 C4 C3 119.3(4) . . ?
C5 C4 H4A 120.4 . . ?
C3 C4 H4A 120.4 . . ?
C4 C5 C6 121.4(5) . . ?
C4 C5 H5A 119.3 . . ?
C6 C5 H5A 119.3 . . ?
C7 C6 C5 120.9(5) . . ?
C7 C6 H6A 119.6 . . ?
C5 C6 H6A 119.6 . . ?
C6 C7 C8 118.3(5) . . ?
C6 C7 H7A 120.9 . . ?
C8 C7 H7A 120.9 . . ?
N1 C8 C7 128.7(4) . . ?
N1 C8 C3 110.3(4) . . ?
C7 C8 C3 120.9(4) . . ?
C2 C9 C10 115.9(4) . . ?
C2 C9 H9A 108.3 . . ?
C10 C9 H9A 108.3 . . ?
C2 C9 H9B 108.3 . . ?
C10 C9 H9B 108.3 . . ?
H9A C9 H9B 107.4 . . ?
N2 C10 C9 113.5(4) . . ?
N2 C10 H10A 108.9 . . ?
C9 C10 H10A 108.9 . . ?
N2 C10 H10B 108.9 . . ?
C9 C10 H10B 108.9 . . ?
H10A C10 H10B 107.7 . . ?
N2 C11 C12 121.1(4) . . ?
N2 C11 Li 45.0(3) . . ?
C12 C11 Li 80.5(3) . . ?
N2 C11 H11A 108.8 . . ?
C12 C11 H11A 108.8 . . ?
Li C11 H11A 108.8 . . ?
N3 C12 C13 108.2(5) . . ?
N3 C12 C11 122.0(5) . . ?
C13 C12 C11 129.8(5) . . ?
C12 C13 C14 106.7(5) . . ?
C12 C13 H13A 126.6 . . ?
C14 C13 H13A 126.6 . . ?
C15 C14 C13 107.5(6) . . ?
C15 C14 H14A 126.3 . . ?
C13 C14 H14A 126.3 . . ?
N3 C15 C14 108.9(6) . . ?
N3 C15 H15A 125.5 . . ?
C14 C15 H15A 125.5 . . ?
N3 C16 H16A 109.5 . . ?
N3 C16 H16B 109.5 . . ?
H16A C16 H16B 109.5 . . ?
N3 C16 H16C 109.5 . . ?
H16A C16 H16C 109.5 . . ?
H16B C16 H16C 109.5 . . ?
C18 C17 N4 114.6(4) . . ?
C18 C17 Yb 153.5(3) . . ?
N4 C17 Yb 39.0(2) . . ?
C18 C17 H17A 122.7 . . ?
N4 C17 H17A 122.7 . . ?
Yb C17 H17A 83.8 . . ?
C17 C18 C19 104.9(4) . . ?
C17 C18 C25 127.6(4) . . ?
C19 C18 C25 127.5(4) . . ?
C17 C18 Li 100.5(4) . . ?
C19 C18 Li 69.0(3) . . ?
C25 C18 Li 99.1(3) . . ?
C20 C19 C18 134.7(4) . . ?
C20 C19 C24 119.4(4) . . ?
C18 C19 C24 105.9(4) . . ?
C20 C19 Li 93.7(4) . . ?
C18 C19 Li 77.4(3) . . ?
C24 C19 Li 99.0(3) . . ?
C21 C20 C19 119.0(5) . . ?
C21 C20 H20A 120.5 . . ?
C19 C20 H20A 120.5 . . ?
C20 C21 C22 120.9(5) . . ?
C20 C21 H21A 119.5 . . ?
C22 C21 H21A 119.5 . . ?
C21 C22 C23 122.1(5) . . ?
C21 C22 H22A 119.0 . . ?
C23 C22 H22A 119.0 . . ?
C24 C23 C22 117.9(4) . . ?
C24 C23 H23A 121.1 . . ?
C22 C23 H23A 121.1 . . ?
N4 C24 C23 128.9(4) . . ?
N4 C24 C19 110.2(4) . . ?
C23 C24 C19 120.8(4) . . ?
C18 C25 C26 114.1(4) . . ?
C18 C25 H25A 108.7 . . ?
C26 C25 H25A 108.7 . . ?
C18 C25 H25B 108.7 . . ?
C26 C25 H25B 108.7 . . ?
H25A C25 H25B 107.6 . . ?
N5 C26 C25 108.7(4) . . ?
N5 C26 H26A 110.0 . . ?
C25 C26 H26A 110.0 . . ?
N5 C26 H26B 110.0 . . ?
C25 C26 H26B 110.0 . . ?
H26A C26 H26B 108.3 . . ?
N5 C27 C28 123.7(4) . . ?
N5 C27 H27A 118.2 . . ?
C28 C27 H27A 118.2 . . ?
C29 C28 N6 106.0(5) . . ?
C29 C28 C27 132.1(5) . . ?
N6 C28 C27 121.7(5) . . ?
C30 C29 C28 108.6(5) . . ?
C30 C29 H29A 125.7 . . ?
C28 C29 H29A 125.7 . . ?
C31 C30 C29 107.9(5) . . ?
C31 C30 H30A 126.0 . . ?
C29 C30 H30A 126.0 . . ?
C30 C31 N6 109.2(5) . . ?
C30 C31 H31A 125.4 . . ?
N6 C31 H31A 125.4 . . ?
N6 C32 H32A 109.5 . . ?
N6 C32 H32B 109.5 . . ?
H32A C32 H32B 109.5 . . ?
N6 C32 H32C 109.5 . . ?
H32A C32 H32C 109.5 . . ?
H32B C32 H32C 109.5 . . ?
Si1 C33 H33A 109.5 . . ?
Si1 C33 H33B 109.5 . . ?
H33A C33 H33B 109.5 . . ?
Si1 C33 H33C 109.5 . . ?
H33A C33 H33C 109.5 . . ?
H33B C33 H33C 109.5 . . ?
Si1 C34 H34A 109.5 . . ?
Si1 C34 H34B 109.5 . . ?
H34A C34 H34B 109.5 . . ?
Si1 C34 H34C 109.5 . . ?
H34A C34 H34C 109.5 . . ?
H34B C34 H34C 109.5 . . ?
Si1 C35 H35A 109.5 . . ?
Si1 C35 H35B 109.5 . . ?
H35A C35 H35B 109.5 . . ?
Si1 C35 H35C 109.5 . . ?
H35A C35 H35C 109.5 . . ?
H35B C35 H35C 109.5 . . ?
Si2 C36 H36A 109.5 . . ?
Si2 C36 H36B 109.5 . . ?
H36A C36 H36B 109.5 . . ?
Si2 C36 H36C 109.5 . . ?
H36A C36 H36C 109.5 . . ?
H36B C36 H36C 109.5 . . ?
Si2 C37 H37A 109.5 . . ?
Si2 C37 H37B 109.5 . . ?
H37A C37 H37B 109.5 . . ?
Si2 C37 H37C 109.5 . . ?
H37A C37 H37C 109.5 . . ?
H37B C37 H37C 109.5 . . ?
Si2 C38 H38A 109.5 . . ?
Si2 C38 H38B 109.5 . . ?
H38A C38 H38B 109.5 . . ?
Si2 C38 H38C 109.5 . . ?
H38A C38 H38C 109.5 . . ?
H38B C38 H38C 109.5 . . ?
Si3 C39 H39C 109.5 . . ?
Si3 C39 H39A 109.5 . . ?
H39C C39 H39A 109.5 . . ?
Si3 C39 H39B 109.5 . . ?
H39C C39 H39B 109.5 . . ?
H39A C39 H39B 109.5 . . ?
Si3 C40 H40A 109.5 . . ?
Si3 C40 H40B 109.5 . . ?
H40A C40 H40B 109.5 . . ?
Si3 C40 H40C 109.5 . . ?
H40A C40 H40C 109.5 . . ?
H40B C40 H40C 109.5 . . ?
Si3 C41 H41A 109.5 . . ?
Si3 C41 H41B 109.5 . . ?
H41A C41 H41B 109.5 . . ?
Si3 C41 H41C 109.5 . . ?
H41A C41 H41C 109.5 . . ?
H41B C41 H41C 109.5 . . ?
Si4 C42 H42A 109.5 . . ?
Si4 C42 H42B 109.5 . . ?
H42A C42 H42B 109.5 . . ?
Si4 C42 H42C 109.5 . . ?
H42A C42 H42C 109.5 . . ?
H42B C42 H42C 109.5 . . ?
Si4 C43 H43A 109.5 . . ?
Si4 C43 H43B 109.5 . . ?
H43A C43 H43B 109.5 . . ?
Si4 C43 H43C 109.5 . . ?
H43A C43 H43C 109.5 . . ?
H43B C43 H43C 109.5 . . ?
Si4 C44 H44A 109.5 . . ?
Si4 C44 H44B 109.5 . . ?
H44A C44 H44B 109.5 . . ?
Si4 C44 H44C 109.5 . . ?
H44A C44 H44C 109.5 . . ?
H44B C44 H44C 109.5 . . ?

loop_
_geom_torsion_atom_site_label_1
_geom_torsion_atom_site_label_2
_geom_torsion_atom_site_label_3
_geom_torsion_atom_site_label_4
_geom_torsion
_geom_torsion_site_symmetry_1
_geom_torsion_site_symmetry_2
_geom_torsion_site_symmetry_3
_geom_torsion_site_symmetry_4
_geom_torsion_publ_flag
N8 Yb Si1 N7 -136.29(19) . . . . ?
N1 Yb Si1 N7 7.6(2) . . . . ?
N4 Yb Si1 N7 107.9(2) . . . . ?
C1 Yb Si1 N7 33.8(2) . . . . ?
C17 Yb Si1 N7 115.9(2) . . . . ?
Si3 Yb Si1 N7 -109.68(18) . . . . ?
Si4 Yb Si1 N7 -160.26(17) . . . . ?
Si2 Yb Si1 N7 1.22(17) . . . . ?
N7 Yb Si1 C33 -71.5(3) . . . . ?
N8 Yb Si1 C33 152.2(2) . . . . ?
N1 Yb Si1 C33 -63.9(3) . . . . ?
N4 Yb Si1 C33 36.4(2) . . . . ?
C1 Yb Si1 C33 -37.6(2) . . . . ?
C17 Yb Si1 C33 44.4(2) . . . . ?
Si3 Yb Si1 C33 178.9(2) . . . . ?
Si4 Yb Si1 C33 128.3(2) . . . . ?
Si2 Yb Si1 C33 -70.2(2) . . . . ?
N7 Yb Si1 C34 91.5(3) . . . . ?
N8 Yb Si1 C34 -44.8(2) . . . . ?
N1 Yb Si1 C34 99.1(3) . . . . ?
N4 Yb Si1 C34 -160.6(2) . . . . ?
C1 Yb Si1 C34 125.4(2) . . . . ?
C17 Yb Si1 C34 -152.6(2) . . . . ?
Si3 Yb Si1 C34 -18.1(2) . . . . ?
Si4 Yb Si1 C34 -68.7(2) . . . . ?
Si2 Yb Si1 C34 92.8(2) . . . . ?
N7 Yb Si1 C35 -169.2(3) . . . . ?
N8 Yb Si1 C35 54.5(2) . . . . ?
N1 Yb Si1 C35 -161.7(2) . . . . ?
N4 Yb Si1 C35 -61.4(2) . . . . ?
C1 Yb Si1 C35 -135.4(2) . . . . ?
C17 Yb Si1 C35 -53.4(2) . . . . ?
Si3 Yb Si1 C35 81.09(19) . . . . ?
Si4 Yb Si1 C35 30.51(19) . . . . ?
Si2 Yb Si1 C35 -168.02(19) . . . . ?
N8 Yb Si2 N7 65.5(2) . . . . ?
N1 Yb Si2 N7 -177.5(2) . . . . ?
N4 Yb Si2 N7 -90.0(2) . . . . ?
C1 Yb Si2 N7 -156.3(2) . . . . ?
C17 Yb Si2 N7 -106.3(2) . . . . ?
Si3 Yb Si2 N7 76.8(2) . . . . ?
Si1 Yb Si2 N7 -1.4(2) . . . . ?
Si4 Yb Si2 N7 44.9(2) . . . . ?
N7 Yb Si2 C38 105.0(3) . . . . ?
N8 Yb Si2 C38 170.4(2) . . . . ?
N1 Yb Si2 C38 -72.5(2) . . . . ?
N4 Yb Si2 C38 14.9(2) . . . . ?
C1 Yb Si2 C38 -51.3(2) . . . . ?
C17 Yb Si2 C38 -1.3(2) . . . . ?
Si3 Yb Si2 C38 -178.3(2) . . . . ?
Si1 Yb Si2 C38 103.6(2) . . . . ?
Si4 Yb Si2 C38 149.9(2) . . . . ?
N7 Yb Si2 C36 -149.1(3) . . . . ?
N8 Yb Si2 C36 -83.6(2) . . . . ?
N1 Yb Si2 C36 33.4(2) . . . . ?
N4 Yb Si2 C36 120.9(2) . . . . ?
C1 Yb Si2 C36 54.6(2) . . . . ?
C17 Yb Si2 C36 104.7(2) . . . . ?
Si3 Yb Si2 C36 -72.32(19) . . . . ?
Si1 Yb Si2 C36 -150.5(2) . . . . ?
Si4 Yb Si2 C36 -104.2(2) . . . . ?
N7 Yb Si2 C37 -41.8(3) . . . . ?
N8 Yb Si2 C37 23.7(3) . . . . ?
N1 Yb Si2 C37 140.7(3) . . . . ?
N4 Yb Si2 C37 -131.8(3) . . . . ?
C1 Yb Si2 C37 161.9(3) . . . . ?
C17 Yb Si2 C37 -148.0(3) . . . . ?
Si3 Yb Si2 C37 35.0(3) . . . . ?
Si1 Yb Si2 C37 -43.2(3) . . . . ?
Si4 Yb Si2 C37 3.1(3) . . . . ?
N7 Yb Si3 N8 -138.84(19) . . . . ?
N1 Yb Si3 N8 102.3(2) . . . . ?
N4 Yb Si3 N8 -2.5(2) . . . . ?
C1 Yb Si3 N8 103.5(2) . . . . ?
C17 Yb Si3 N8 20.2(2) . . . . ?
Si1 Yb Si3 N8 -112.31(18) . . . . ?
Si4 Yb Si3 N8 1.30(18) . . . . ?
Si2 Yb Si3 N8 -162.74(18) . . . . ?
N7 Yb Si3 C41 -48.5(2) . . . . ?
N8 Yb Si3 C41 90.4(3) . . . . ?
N1 Yb Si3 C41 -167.4(3) . . . . ?
N4 Yb Si3 C41 87.9(3) . . . . ?
C1 Yb Si3 C41 -166.2(3) . . . . ?
C17 Yb Si3 C41 110.6(3) . . . . ?
Si1 Yb Si3 C41 -21.9(2) . . . . ?
Si4 Yb Si3 C41 91.7(2) . . . . ?
Si2 Yb Si3 C41 -72.4(2) . . . . ?
N7 Yb Si3 C40 143.8(2) . . . . ?
N8 Yb Si3 C40 -77.4(3) . . . . ?
N1 Yb Si3 C40 24.9(2) . . . . ?
N4 Yb Si3 C40 -79.8(3) . . . . ?
C1 Yb Si3 C40 26.1(2) . . . . ?
C17 Yb Si3 C40 -57.2(2) . . . . ?
Si1 Yb Si3 C40 170.3(2) . . . . ?
Si4 Yb Si3 C40 -76.1(2) . . . . ?
Si2 Yb Si3 C40 119.9(2) . . . . ?
N7 Yb Si3 C39 49.89(19) . . . . ?
N8 Yb Si3 C39 -171.3(3) . . . . ?
N1 Yb Si3 C39 -69.0(2) . . . . ?
N4 Yb Si3 C39 -173.7(2) . . . . ?
C1 Yb Si3 C39 -67.8(2) . . . . ?
C17 Yb Si3 C39 -151.1(2) . . . . ?
Si1 Yb Si3 C39 76.42(18) . . . . ?
Si4 Yb Si3 C39 -169.98(18) . . . . ?
Si2 Yb Si3 C39 25.99(18) . . . . ?
N7 Yb Si4 N8 62.1(2) . . . . ?
N1 Yb Si4 N8 -97.1(2) . . . . ?
N4 Yb Si4 N8 176.1(2) . . . . ?
C1 Yb Si4 N8 -117.6(2) . . . . ?
C17 Yb Si4 N8 -165.6(2) . . . . ?
Si3 Yb Si4 N8 -1.5(2) . . . . ?
Si1 Yb Si4 N8 75.0(2) . . . . ?
Si2 Yb Si4 N8 37.9(2) . . . . ?
N7 Yb Si4 C42 -76.0(2) . . . . ?
N8 Yb Si4 C42 -138.1(3) . . . . ?
N1 Yb Si4 C42 124.8(2) . . . . ?
N4 Yb Si4 C42 38.0(2) . . . . ?
C1 Yb Si4 C42 104.2(2) . . . . ?
C17 Yb Si4 C42 56.3(2) . . . . ?
Si3 Yb Si4 C42 -139.6(2) . . . . ?
Si1 Yb Si4 C42 -63.1(2) . . . . ?
Si2 Yb Si4 C42 -100.3(2) . . . . ?
N7 Yb Si4 C43 176.2(2) . . . . ?
N8 Yb Si4 C43 114.1(3) . . . . ?
N1 Yb Si4 C43 16.9(2) . . . . ?
N4 Yb Si4 C43 -69.8(2) . . . . ?
C1 Yb Si4 C43 -3.6(2) . . . . ?
C17 Yb Si4 C43 -51.5(2) . . . . ?
Si3 Yb Si4 C43 112.6(2) . . . . ?
Si1 Yb Si4 C43 -170.9(2) . . . . ?
Si2 Yb Si4 C43 151.9(2) . . . . ?
N7 Yb Si4 C44 40.6(5) . . . . ?
N8 Yb Si4 C44 -21.5(5) . . . . ?
N1 Yb Si4 C44 -118.6(4) . . . . ?
N4 Yb Si4 C44 154.6(4) . . . . ?
C1 Yb Si4 C44 -139.2(4) . . . . ?
C17 Yb Si4 C44 172.9(4) . . . . ?
Si3 Yb Si4 C44 -23.0(4) . . . . ?
Si1 Yb Si4 C44 53.5(4) . . . . ?
Si2 Yb Si4 C44 16.3(5) . . . . ?
N7 Yb N1 C1 68.2(4) . . . . ?
N8 Yb N1 C1 -153.2(3) . . . . ?
N4 Yb N1 C1 -40.5(3) . . . . ?
C17 Yb N1 C1 -59.5(3) . . . . ?
Si3 Yb N1 C1 177.5(3) . . . . ?
Si1 Yb N1 C1 64.4(4) . . . . ?
Si4 Yb N1 C1 -127.7(3) . . . . ?
Si2 Yb N1 C1 69.4(3) . . . . ?
N7 Yb N1 C8 -122.3(4) . . . . ?
N8 Yb N1 C8 16.3(4) . . . . ?
N4 Yb N1 C8 129.0(4) . . . . ?
C1 Yb N1 C8 169.5(7) . . . . ?
C17 Yb N1 C8 110.0(4) . . . . ?
Si3 Yb N1 C8 -13.0(4) . . . . ?
Si1 Yb N1 C8 -126.1(4) . . . . ?
Si4 Yb N1 C8 41.8(4) . . . . ?
Si2 Yb N1 C8 -121.1(4) . . . . ?
N5 Li N2 C11 -97.6(5) . . . . ?
C19 Li N2 C11 127.1(9) . . . . ?
C18 Li N2 C11 173.1(5) . . . . ?
N5 Li N2 C10 51.0(6) . . . . ?
C19 Li N2 C10 -84.3(10) . . . . ?
C18 Li N2 C10 -38.2(7) . . . . ?
C11 Li N2 C10 148.7(6) . . . . ?
N7 Yb N4 C24 13.3(4) . . . . ?
N8 Yb N4 C24 -122.5(4) . . . . ?
N1 Yb N4 C24 128.1(4) . . . . ?
C1 Yb N4 C24 112.8(4) . . . . ?
C17 Yb N4 C24 -176.7(6) . . . . ?
Si3 Yb N4 C24 -121.2(4) . . . . ?
Si1 Yb N4 C24 -14.6(4) . . . . ?
Si4 Yb N4 C24 -124.2(4) . . . . ?
Si2 Yb N4 C24 38.8(4) . . . . ?
N7 Yb N4 C17 -170.0(3) . . . . ?
N8 Yb N4 C17 54.2(3) . . . . ?
N1 Yb N4 C17 -55.3(3) . . . . ?
C1 Yb N4 C17 -70.5(3) . . . . ?
Si3 Yb N4 C17 55.5(4) . . . . ?
Si1 Yb N4 C17 162.1(3) . . . . ?
Si4 Yb N4 C17 52.5(3) . . . . ?
Si2 Yb N4 C17 -144.5(3) . . . . ?
N2 Li N5 C27 82.3(7) . . . . ?
C19 Li N5 C27 -117.6(5) . . . . ?
C18 Li N5 C27 -147.3(5) . . . . ?
C11 Li N5 C27 54.1(7) . . . . ?
N2 Li N5 C26 -92.3(4) . . . . ?
C19 Li N5 C26 67.9(4) . . . . ?
C18 Li N5 C26 38.2(4) . . . . ?
C11 Li N5 C26 -120.5(4) . . . . ?
C33 Si1 N7 Si2 -46.9(3) . . . . ?
C34 Si1 N7 Si2 75.1(3) . . . . ?
C35 Si1 N7 Si2 -167.0(2) . . . . ?
Yb Si1 N7 Si2 -177.7(3) . . . . ?
C33 Si1 N7 Yb 130.9(2) . . . . ?
C34 Si1 N7 Yb -107.2(2) . . . . ?
C35 Si1 N7 Yb 10.7(3) . . . . ?
C38 Si2 N7 Si1 91.6(3) . . . . ?
C36 Si2 N7 Si1 -148.9(3) . . . . ?
C37 Si2 N7 Si1 -30.2(3) . . . . ?
Yb Si2 N7 Si1 177.5(4) . . . . ?
C38 Si2 N7 Yb -85.9(3) . . . . ?
C36 Si2 N7 Yb 33.5(3) . . . . ?
C37 Si2 N7 Yb 152.3(2) . . . . ?
N8 Yb N7 Si1 51.9(2) . . . . ?
N1 Yb N7 Si1 -174.89(16) . . . . ?
N4 Yb N7 Si1 -79.28(19) . . . . ?
C1 Yb N7 Si1 -153.34(17) . . . . ?
C17 Yb N7 Si1 -84.2(2) . . . . ?
Si3 Yb N7 Si1 73.23(16) . . . . ?
Si4 Yb N7 Si1 26.9(2) . . . . ?
Si2 Yb N7 Si1 -177.7(3) . . . . ?
N8 Yb N7 Si2 -130.41(19) . . . . ?
N1 Yb N7 Si2 2.8(2) . . . . ?
N4 Yb N7 Si2 98.4(2) . . . . ?
C1 Yb N7 Si2 24.3(2) . . . . ?
C17 Yb N7 Si2 93.4(2) . . . . ?
Si3 Yb N7 Si2 -109.12(18) . . . . ?
Si1 Yb N7 Si2 177.7(3) . . . . ?
Si4 Yb N7 Si2 -155.46(13) . . . . ?
C41 Si3 N8 Si4 72.6(3) . . . . ?
C40 Si3 N8 Si4 -51.3(3) . . . . ?
C39 Si3 N8 Si4 -168.9(2) . . . . ?
Yb Si3 N8 Si4 -177.5(3) . . . . ?
C41 Si3 N8 Yb -109.9(3) . . . . ?
C40 Si3 N8 Yb 126.2(2) . . . . ?
C39 Si3 N8 Yb 8.7(3) . . . . ?
C42 Si4 N8 Si3 -136.6(3) . . . . ?
C43 Si4 N8 Si3 102.9(3) . . . . ?
C44 Si4 N8 Si3 -16.3(4) . . . . ?
Yb Si4 N8 Si3 177.3(4) . . . . ?
C42 Si4 N8 Yb 46.1(3) . . . . ?
C43 Si4 N8 Yb -74.4(3) . . . . ?
C44 Si4 N8 Yb 166.4(3) . . . . ?
N7 Yb N8 Si3 48.9(2) . . . . ?
N1 Yb N8 Si3 -86.47(19) . . . . ?
N4 Yb N8 Si3 178.30(16) . . . . ?
C1 Yb N8 Si3 -99.2(2) . . . . ?
C17 Yb N8 Si3 -163.43(17) . . . . ?
Si1 Yb N8 Si3 70.92(17) . . . . ?
Si4 Yb N8 Si3 -177.5(3) . . . . ?
Si2 Yb N8 Si3 23.2(2) . . . . ?
N7 Yb N8 Si4 -133.62(19) . . . . ?
N1 Yb N8 Si4 91.0(2) . . . . ?
N4 Yb N8 Si4 -4.2(2) . . . . ?
C1 Yb N8 Si4 78.3(2) . . . . ?
C17 Yb N8 Si4 14.1(2) . . . . ?
Si3 Yb N8 Si4 177.5(3) . . . . ?
Si1 Yb N8 Si4 -111.58(19) . . . . ?
Si2 Yb N8 Si4 -159.30(14) . . . . ?
C8 N1 C1 C2 -1.6(5) . . . . ?
Yb N1 C1 C2 171.1(3) . . . . ?
C8 N1 C1 Yb -172.7(5) . . . . ?
N7 Yb C1 C2 -136.6(7) . . . . ?
N8 Yb C1 C2 15.4(8) . . . . ?
N1 Yb C1 C2 -17.6(6) . . . . ?
N4 Yb C1 C2 119.0(8) . . . . ?
C17 Yb C1 C2 95.5(7) . . . . ?
Si3 Yb C1 C2 -20.7(8) . . . . ?
Si1 Yb C1 C2 -152.1(7) . . . . ?
Si4 Yb C1 C2 43.2(8) . . . . ?
Si2 Yb C1 C2 -126.8(7) . . . . ?
N7 Yb C1 N1 -119.0(3) . . . . ?
N8 Yb C1 N1 33.0(4) . . . . ?
N4 Yb C1 N1 136.5(4) . . . . ?
C17 Yb C1 N1 113.1(4) . . . . ?
Si3 Yb C1 N1 -3.1(4) . . . . ?
Si1 Yb C1 N1 -134.6(3) . . . . ?
Si4 Yb C1 N1 60.8(4) . . . . ?
Si2 Yb C1 N1 -109.2(3) . . . . ?
N1 C1 C2 C3 2.2(5) . . . . ?
Yb C1 C2 C3 14.1(9) . . . . ?
N1 C1 C2 C9 -175.3(4) . . . . ?
Yb C1 C2 C9 -163.4(5) . . . . ?
C1 C2 C3 C4 179.5(5) . . . . ?
C9 C2 C3 C4 -2.9(8) . . . . ?
C1 C2 C3 C8 -1.9(5) . . . . ?
C9 C2 C3 C8 175.7(4) . . . . ?
C8 C3 C4 C5 0.8(6) . . . . ?
C2 C3 C4 C5 179.3(5) . . . . ?
C3 C4 C5 C6 -0.9(7) . . . . ?
C4 C5 C6 C7 -0.5(8) . . . . ?
C5 C6 C7 C8 1.9(7) . . . . ?
C1 N1 C8 C7 179.4(4) . . . . ?
Yb N1 C8 C7 8.9(7) . . . . ?
C1 N1 C8 C3 0.3(5) . . . . ?
Yb N1 C8 C3 -170.3(3) . . . . ?
C6 C7 C8 N1 178.9(4) . . . . ?
C6 C7 C8 C3 -2.0(6) . . . . ?
C4 C3 C8 N1 179.9(4) . . . . ?
C2 C3 C8 N1 1.0(5) . . . . ?
C4 C3 C8 C7 0.6(6) . . . . ?
C2 C3 C8 C7 -178.2(4) . . . . ?
C1 C2 C9 C10 54.8(7) . . . . ?
C3 C2 C9 C10 -122.2(5) . . . . ?
C11 N2 C10 C9 -94.0(5) . . . . ?
Li N2 C10 C9 119.4(5) . . . . ?
C2 C9 C10 N2 -68.0(5) . . . . ?
C10 N2 C11 C12 178.0(4) . . . . ?
Li N2 C11 C12 -28.9(5) . . . . ?
C10 N2 C11 Li -153.1(5) . . . . ?
N5 Li C11 N2 90.9(5) . . . . ?
C19 Li C11 N2 -109.9(11) . . . . ?
C18 Li C11 N2 -14.0(9) . . . . ?
N2 Li C11 C12 155.2(5) . . . . ?
N5 Li C11 C12 -113.9(5) . . . . ?
C19 Li C11 C12 45.3(11) . . . . ?
C18 Li C11 C12 141.2(10) . . . . ?
C15 N3 C12 C13 1.0(5) . . . . ?
C16 N3 C12 C13 177.1(4) . . . . ?
C15 N3 C12 C11 -179.5(4) . . . . ?
C16 N3 C12 C11 -3.4(7) . . . . ?
N2 C11 C12 N3 154.4(4) . . . . ?
Li C11 C12 N3 134.2(4) . . . . ?
N2 C11 C12 C13 -26.2(7) . . . . ?
Li C11 C12 C13 -46.4(5) . . . . ?
N3 C12 C13 C14 -1.0(5) . . . . ?
C11 C12 C13 C14 179.6(4) . . . . ?
C12 C13 C14 C15 0.5(6) . . . . ?
C12 N3 C15 C14 -0.7(6) . . . . ?
C16 N3 C15 C14 -176.9(5) . . . . ?
C13 C14 C15 N3 0.1(6) . . . . ?
C24 N4 C17 C18 0.8(5) . . . . ?
Yb N4 C17 C18 -176.9(3) . . . . ?
C24 N4 C17 Yb 177.7(4) . . . . ?
N7 Yb C17 C18 18.7(8) . . . . ?
N8 Yb C17 C18 -124.3(7) . . . . ?
N1 Yb C17 C18 128.1(7) . . . . ?
N4 Yb C17 C18 6.3(6) . . . . ?
C1 Yb C17 C18 106.8(7) . . . . ?
Si3 Yb C17 C18 -133.8(7) . . . . ?
Si1 Yb C17 C18 -14.6(8) . . . . ?
Si4 Yb C17 C18 -118.4(7) . . . . ?
Si2 Yb C17 C18 49.7(8) . . . . ?
N7 Yb C17 N4 12.4(4) . . . . ?
N8 Yb C17 N4 -130.7(3) . . . . ?
N1 Yb C17 N4 121.8(3) . . . . ?
C1 Yb C17 N4 100.4(3) . . . . ?
Si3 Yb C17 N4 -140.2(3) . . . . ?
Si1 Yb C17 N4 -20.9(3) . . . . ?
Si4 Yb C17 N4 -124.7(3) . . . . ?
Si2 Yb C17 N4 43.4(3) . . . . ?
N4 C17 C18 C19 -0.6(5) . . . . ?
Yb C17 C18 C19 -5.0(9) . . . . ?
N4 C17 C18 C25 178.2(4) . . . . ?
Yb C17 C18 C25 173.9(5) . . . . ?
N4 C17 C18 Li -71.5(4) . . . . ?
Yb C17 C18 Li -75.9(8) . . . . ?
N2 Li C18 C17 -39.3(6) . . . . ?
N5 Li C18 C17 -141.3(4) . . . . ?
C19 Li C18 C17 102.0(4) . . . . ?
C11 Li C18 C17 -30.8(11) . . . . ?
N2 Li C18 C19 -141.3(6) . . . . ?
N5 Li C18 C19 116.7(4) . . . . ?
C11 Li C18 C19 -132.9(10) . . . . ?
N2 Li C18 C25 91.9(6) . . . . ?
N5 Li C18 C25 -10.1(4) . . . . ?
C19 Li C18 C25 -126.8(4) . . . . ?
C11 Li C18 C25 100.4(10) . . . . ?
C17 C18 C19 C20 -178.4(5) . . . . ?
C25 C18 C19 C20 2.8(8) . . . . ?
Li C18 C19 C20 -82.7(5) . . . . ?
C17 C18 C19 C24 0.2(5) . . . . ?
C25 C18 C19 C24 -178.6(4) . . . . ?
Li C18 C19 C24 96.0(3) . . . . ?
C17 C18 C19 Li -95.7(4) . . . . ?
C25 C18 C19 Li 85.4(5) . . . . ?
N2 Li C19 C20 -149.0(9) . . . . ?
N5 Li C19 C20 73.6(4) . . . . ?
C18 Li C19 C20 135.0(4) . . . . ?
C11 Li C19 C20 -86.6(11) . . . . ?
N2 Li C19 C18 76.0(10) . . . . ?
N5 Li C19 C18 -61.4(4) . . . . ?
C11 Li C19 C18 138.4(11) . . . . ?
N2 Li C19 C24 -28.4(10) . . . . ?
N5 Li C19 C24 -165.9(4) . . . . ?
C18 Li C19 C24 -104.4(4) . . . . ?
C11 Li C19 C24 33.9(11) . . . . ?
C18 C19 C20 C21 177.9(5) . . . . ?
C24 C19 C20 C21 -0.6(7) . . . . ?
Li C19 C20 C21 102.0(5) . . . . ?
C19 C20 C21 C22 -0.6(8) . . . . ?
C20 C21 C22 C23 1.1(9) . . . . ?
C21 C22 C23 C24 -0.4(8) . . . . ?
C17 N4 C24 C23 176.9(4) . . . . ?
Yb N4 C24 C23 -6.1(7) . . . . ?
C17 N4 C24 C19 -0.6(4) . . . . ?
Yb N4 C24 C19 176.4(3) . . . . ?
C22 C23 C24 N4 -178.1(4) . . . . ?
C22 C23 C24 C19 -0.9(7) . . . . ?
C20 C19 C24 N4 179.1(4) . . . . ?
C18 C19 C24 N4 0.2(5) . . . . ?
Li C19 C24 N4 79.6(4) . . . . ?
C20 C19 C24 C23 1.4(6) . . . . ?
C18 C19 C24 C23 -177.5(4) . . . . ?
Li C19 C24 C23 -98.1(5) . . . . ?
C17 C18 C25 C26 91.3(6) . . . . ?
C19 C18 C25 C26 -90.1(6) . . . . ?
Li C18 C25 C26 -19.6(5) . . . . ?
C27 N5 C26 C25 121.3(4) . . . . ?
Li N5 C26 C25 -63.1(5) . . . . ?
C18 C25 C26 N5 54.5(5) . . . . ?
C26 N5 C27 C28 -174.6(4) . . . . ?
Li N5 C27 C28 11.3(8) . . . . ?
C31 N6 C28 C29 0.5(5) . . . . ?
C32 N6 C28 C29 -179.5(5) . . . . ?
C31 N6 C28 C27 -174.7(4) . . . . ?
C32 N6 C28 C27 5.2(8) . . . . ?
N5 C27 C28 C29 19.6(8) . . . . ?
N5 C27 C28 N6 -166.6(4) . . . . ?
N6 C28 C29 C30 -0.1(6) . . . . ?
C27 C28 C29 C30 174.4(5) . . . . ?
C28 C29 C30 C31 -0.3(7) . . . . ?
C29 C30 C31 N6 0.6(7) . . . . ?
C28 N6 C31 C30 -0.7(6) . . . . ?
C32 N6 C31 C30 179.4(5) . . . . ?

_diffrn_measured_fraction_theta_max 0.996
_diffrn_reflns_theta_full        26.50
_diffrn_measured_fraction_theta_full 0.996
_refine_diff_density_max         0.951
_refine_diff_density_min         -0.573
_refine_diff_density_rms         0.070

# SQUEEZE RESULTS (APPEND TO CIF) 
# Note: Data are Listed for all Voids in the P1 Unit Cell 
# i.e. Centre of Gravity, Solvent Accessible Volume, 
# Recovered number of Electrons in the Void and 
# Details about the Squeezed Material 
loop_
_platon_squeeze_void_nr
_platon_squeeze_void_average_x
_platon_squeeze_void_average_y
_platon_squeeze_void_average_z
_platon_squeeze_void_volume
_platon_squeeze_void_count_electrons
_platon_squeeze_void_content
1 0.000 0.000 0.500 289 11 ' '
2 0.500 0.500 0.000 289 11 ' '
3 0.903 0.151 0.794 16 0 ' '
4 0.700 0.237 0.378 21 1 ' '
5 0.200 0.263 0.878 21 1 ' '
6 0.398 0.250 0.204 7 0 ' '
7 0.898 0.251 0.703 7 0 ' '
8 0.403 0.349 0.295 16 0 ' '
9 0.597 0.651 0.706 16 0 ' '
10 0.799 0.737 0.122 21 1 ' '
11 0.102 0.750 0.296 7 0 ' '
12 0.299 0.763 0.622 21 1 ' '
13 0.602 0.751 0.797 7 0 ' '
14 0.097 0.848 0.205 16 0 ' '
_platon_squeeze_details          
; 
;

_database_code_depnum_ccdc_archive 'CCDC 935215'
#######################################################################
#
#                 Cambridge Crystallographic Data Centre
#                                CCDC 
# 
#######################################################################
# 
#  This CIF contains data from an original supplementary publication
#  deposited with the CCDC, and may include chemical, crystal,
#  experimental, refinement, atomic coordinates,
#  anisotropic displacement parameters and molecular geometry data,
#  as required by the journal to which it was submitted.
#
#  This CIF is provided on the understanding that it is used for bona
#  fide research purposes only. It may contain copyright material
#  of the CCDC or of third parties, and may not be copied or further
#  disseminated in any form, whether machine-readable or not,
#  except for the purpose of generating routine backup copies
#  on your local computer system.
# 
#  For further information on the CCDC, data deposition and
#  data retrieval see:
#                         www.ccdc.cam.ac.uk
#
#  Bona fide researchers may freely download Mercury and enCIFer
#  from this site to visualise CIF-encoded structures and 
#  to carry out CIF format checking respectively.
#
data_a

_audit_creation_method           SHELXL-97
_chemical_name_systematic        
; 
 ? 
;
_chemical_name_common            ?
_chemical_melting_point          ?
_chemical_formula_moiety         ?
_chemical_formula_sum            'C44 H68 Dy Li N8 Si4'
_chemical_formula_weight         990.86

loop_
_atom_type_symbol
_atom_type_description
_atom_type_scat_dispersion_real
_atom_type_scat_dispersion_imag
_atom_type_scat_source
C C 0.0033 0.0016 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
H H 0.0000 0.0000 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Li Li -0.0003 0.0001 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
N N 0.0061 0.0033 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Si Si 0.0817 0.0704 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Dy Dy -0.1892 4.4098 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'

_symmetry_cell_setting           Monoclinic
_symmetry_space_group_name_H-M   P2(1)/n

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

_cell_length_a                   13.4676(13)
_cell_length_b                   17.2921(17)
_cell_length_c                   45.497(4)
_cell_angle_alpha                90.00
_cell_angle_beta                 95.6630(10)
_cell_angle_gamma                90.00
_cell_volume                     10543.7(18)
_cell_formula_units_Z            8
_cell_measurement_temperature    293(2)
_cell_measurement_reflns_used    9910
_cell_measurement_theta_min      2.19
_cell_measurement_theta_max      22.03

_exptl_crystal_description       plate
_exptl_crystal_colour            colorless
_exptl_crystal_size_max          0.14
_exptl_crystal_size_mid          0.13
_exptl_crystal_size_min          0.08
_exptl_crystal_density_meas      ?
_exptl_crystal_density_diffrn    1.248
_exptl_crystal_density_method    'not measured'
_exptl_crystal_F_000             4104
_exptl_absorpt_coefficient_mu    1.544
_exptl_absorpt_correction_type   none
_exptl_absorpt_correction_T_min  0.8129
_exptl_absorpt_correction_T_max  0.8864
_exptl_absorpt_process_details   ?

_exptl_special_details           
; 
 ? 
;

_diffrn_ambient_temperature      293(2)
_diffrn_radiation_wavelength     0.71073
_diffrn_radiation_type           MoK\a
_diffrn_radiation_source         'fine-focus sealed tube'
_diffrn_radiation_monochromator  graphite
_diffrn_measurement_device_type  'CCD area detector'
_diffrn_measurement_method       'phi and omega scans'
_diffrn_detector_area_resol_mean ?
_diffrn_standards_number         ?
_diffrn_standards_interval_count ?
_diffrn_standards_interval_time  ?
_diffrn_standards_decay_%        ?
_diffrn_reflns_number            49429
_diffrn_reflns_av_R_equivalents  0.0756
_diffrn_reflns_av_sigmaI/netI    0.1116
_diffrn_reflns_limit_h_min       -16
_diffrn_reflns_limit_h_max       16
_diffrn_reflns_limit_k_min       -20
_diffrn_reflns_limit_k_max       19
_diffrn_reflns_limit_l_min       -52
_diffrn_reflns_limit_l_max       52
_diffrn_reflns_theta_min         1.48
_diffrn_reflns_theta_max         25.00
_reflns_number_total             17813
_reflns_number_gt                8279
_reflns_threshold_expression     >2sigma(I)

_computing_data_collection       'Bruker SMART'
_computing_cell_refinement       'Bruker SMART'
_computing_data_reduction        'Bruker SAINT'
_computing_structure_solution    'SHELXS-97 (Sheldrick, 1990)'
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 1997)'
_computing_molecular_graphics    'Bruker SHELXTL'
_computing_publication_material  'Bruker SHELXTL'

_refine_special_details          
; 
 Refinement of F^2^ against ALL reflections.  The weighted R-factor wR and 
 goodness of fit S are based on F^2^, conventional R-factors R are based 
 on F, with F set to zero for negative F^2^. The threshold expression of 
 F^2^ > 2sigma(F^2^) is used only for calculating R-factors(gt) etc. and is 
 not relevant to the choice of reflections for refinement.  R-factors based 
 on F^2^ are statistically about twice as large as those based on F, and R- 
 factors based on ALL data will be even larger. 
;

_refine_ls_structure_factor_coef Fsqd
_refine_ls_matrix_type           full
_refine_ls_weighting_scheme      calc
_refine_ls_weighting_details     
'calc w=1/[\s^2^(Fo^2^)+(0.0894P)^2^+0.0000P] where P=(Fo^2^+2Fc^2^)/3'
_atom_sites_solution_primary     direct
_atom_sites_solution_secondary   difmap
_atom_sites_solution_hydrogens   geom
_refine_ls_hydrogen_treatment    mixed
_refine_ls_extinction_method     none
_refine_ls_extinction_coef       ?
_refine_ls_number_reflns         17813
_refine_ls_number_parameters     1063
_refine_ls_number_restraints     527
_refine_ls_R_factor_all          0.1515
_refine_ls_R_factor_gt           0.0687
_refine_ls_wR_factor_ref         0.1877
_refine_ls_wR_factor_gt          0.1592
_refine_ls_goodness_of_fit_ref   0.940
_refine_ls_restrained_S_all      0.944
_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_symmetry_multiplicity
_atom_site_calc_flag
_atom_site_refinement_flags
_atom_site_disorder_assembly
_atom_site_disorder_group
Dy1 Dy 0.65740(3) 0.26420(3) 0.162591(10) 0.05759(16) Uani 1 1 d . . .
Dy2 Dy 1.12764(4) -0.22860(3) 0.091042(11) 0.0807(2) Uani 1 1 d . A .
Li1 Li 0.8985(13) 0.1166(11) 0.2251(4) 0.084(5) Uani 1 1 d . . .
Li2 Li 0.7903(18) -0.1221(14) 0.0624(5) 0.129(8) Uani 1 1 d . A .
Si1 Si 0.5048(2) 0.28911(19) 0.22051(6) 0.0725(9) Uani 1 1 d . . .
Si2 Si 0.4141(2) 0.2344(2) 0.16144(7) 0.0881(10) Uani 1 1 d . . .
Si3 Si 0.7011(3) 0.2698(2) 0.08636(7) 0.0924(10) Uani 1 1 d . . .
Si4 Si 0.6488(3) 0.41220(18) 0.11846(7) 0.0891(10) Uani 1 1 d . . .
Si5 Si 1.1404(4) -0.3237(3) 0.02359(9) 0.1256(14) Uani 1 1 d . A .
Si6 Si 1.1487(3) -0.4178(2) 0.07969(9) 0.1091(12) Uani 1 1 d . A .
Si7 Si 1.2005(2) -0.2008(2) 0.16795(7) 0.0846(9) Uani 1 1 d DU . .
Si8 Si 1.3521(2) -0.2014(3) 0.12405(8) 0.1066(12) Uani 1 1 d . . .
N1 N 0.8016(5) 0.2971(4) 0.19292(17) 0.0657(19) Uani 1 1 d U . .
N2 N 0.8410(5) 0.1318(4) 0.26417(16) 0.0646(19) Uani 1 1 d U . .
N3 N 0.6385(6) 0.0503(5) 0.30314(18) 0.080(2) Uani 1 1 d U . .
N4 N 0.7163(5) 0.1400(4) 0.16689(18) 0.072(2) Uani 1 1 d U . .
N5 N 1.0374(6) 0.0840(4) 0.21899(18) 0.072(2) Uani 1 1 d U . .
N6 N 1.2266(7) 0.0362(6) 0.2798(2) 0.103(2) Uani 1 1 d U . .
N7 N 0.5145(5) 0.2664(4) 0.18413(15) 0.0585(19) Uani 1 1 d . . .
N8 N 0.6697(5) 0.3152(4) 0.11739(15) 0.070(2) Uani 1 1 d . . .
N9 N 0.9591(6) -0.2326(5) 0.09692(18) 0.078(2) Uani 1 1 d U . .
N10 N 0.6937(7) -0.0566(6) 0.0800(2) 0.110(3) Uani 1 1 d U A .
N11 N 0.4410(10) -0.0233(8) 0.0434(3) 0.164(3) Uani 1 1 d U A .
N12 N 1.0938(7) -0.1105(5) 0.06784(18) 0.088(2) Uani 1 1 d U . .
N13 N 0.7986(7) -0.1469(6) 0.01804(19) 0.096(3) Uani 1 1 d U A .
N14 N 0.7183(10) -0.3015(9) -0.0338(3) 0.147(3) Uani 1 1 d U A .
N15 N 1.1431(7) -0.3305(5) 0.06184(18) 0.093(3) Uani 1 1 d . . .
N16 N 1.2308(6) -0.2100(5) 0.13281(16) 0.079(2) Uani 1 1 d U A .
C1 C 0.8135(6) 0.2675(5) 0.2208(2) 0.069(2) Uani 1 1 d U . .
H1A H 0.7606 0.2497 0.2307 0.082 Uiso 1 1 calc R . .
C2 C 0.9110(6) 0.2665(5) 0.2329(2) 0.064(2) Uani 1 1 d U . .
C3 C 0.9654(6) 0.2971(5) 0.2108(2) 0.066(2) Uani 1 1 d U . .
C4 C 1.0672(7) 0.3123(6) 0.2086(3) 0.086(3) Uani 1 1 d U . .
H4A H 1.1145 0.3035 0.2246 0.103 Uiso 1 1 calc R . .
C5 C 1.0947(8) 0.3399(7) 0.1827(3) 0.105(3) Uani 1 1 d U . .
H5A H 1.1623 0.3482 0.1812 0.126 Uiso 1 1 calc R . .
C6 C 1.0273(8) 0.3565(7) 0.1583(3) 0.103(3) Uani 1 1 d U . .
H6A H 1.0495 0.3771 0.1412 0.124 Uiso 1 1 calc R . .
C7 C 0.9238(7) 0.3413(6) 0.1599(3) 0.085(3) Uani 1 1 d U . .
H7A H 0.8765 0.3504 0.1439 0.102 Uiso 1 1 calc R . .
C8 C 0.8978(7) 0.3130(5) 0.1859(2) 0.068(2) Uani 1 1 d U . .
C9 C 0.9509(7) 0.2433(5) 0.2635(2) 0.071(2) Uani 1 1 d U . .
H9A H 0.9722 0.2894 0.2745 0.085 Uiso 1 1 calc R . .
H9B H 1.0091 0.2109 0.2623 0.085 Uiso 1 1 calc R . .
C10 C 0.8758(7) 0.2001(5) 0.2802(2) 0.068(2) Uani 1 1 d U . .
H10A H 0.9068 0.1854 0.2996 0.081 Uiso 1 1 calc R . .
H10B H 0.8197 0.2336 0.2830 0.081 Uiso 1 1 calc R . .
C11 C 0.7706(7) 0.0903(5) 0.2737(2) 0.067(2) Uani 1 1 d U . .
H11A H 0.7513 0.0478 0.2619 0.081 Uiso 1 1 calc R . .
C12 C 0.7187(8) 0.0991(6) 0.2988(2) 0.072(2) Uani 1 1 d U . .
C13 C 0.7278(8) 0.1495(6) 0.3232(2) 0.089(3) Uani 1 1 d U . .
H13A H 0.7744 0.1890 0.3267 0.107 Uiso 1 1 calc R . .
C14 C 0.6545(9) 0.1294(7) 0.3413(3) 0.104(3) Uani 1 1 d U . .
H14A H 0.6424 0.1539 0.3588 0.125 Uiso 1 1 calc R . .
C15 C 0.6040(9) 0.0681(7) 0.3291(2) 0.098(3) Uani 1 1 d U . .
H15A H 0.5530 0.0421 0.3374 0.117 Uiso 1 1 calc R . .
C16 C 0.6004(8) -0.0096(6) 0.2837(2) 0.087(2) Uani 1 1 d U . .
H16A H 0.5451 -0.0342 0.2917 0.131 Uiso 1 1 calc R . .
H16B H 0.6518 -0.0470 0.2816 0.131 Uiso 1 1 calc R . .
H16C H 0.5786 0.0121 0.2647 0.131 Uiso 1 1 calc R . .
C17 C 0.8144(7) 0.1317(6) 0.1623(2) 0.076(2) Uani 1 1 d U . .
H17A H 0.8489 0.1672 0.1518 0.091 Uiso 1 1 calc R . .
C18 C 0.8571(7) 0.0655(5) 0.1747(2) 0.064(2) Uani 1 1 d U . .
C19 C 0.7798(7) 0.0282(5) 0.1870(2) 0.067(2) Uani 1 1 d U . .
C20 C 0.7740(9) -0.0440(6) 0.2022(2) 0.086(3) Uani 1 1 d U . .
H20A H 0.8294 -0.0757 0.2062 0.104 Uiso 1 1 calc R . .
C21 C 0.6818(10) -0.0638(7) 0.2104(2) 0.101(3) Uani 1 1 d U . .
H21A H 0.6766 -0.1107 0.2201 0.121 Uiso 1 1 calc R . .
C22 C 0.5957(9) -0.0194(7) 0.2053(2) 0.096(3) Uani 1 1 d U . .
H22A H 0.5355 -0.0356 0.2116 0.115 Uiso 1 1 calc R . .
C23 C 0.6035(8) 0.0501(6) 0.1905(2) 0.078(3) Uani 1 1 d U . .
H23A H 0.5470 0.0804 0.1861 0.093 Uiso 1 1 calc R . .
C24 C 0.6948(7) 0.0752(6) 0.1821(2) 0.065(2) Uani 1 1 d U . .
C25 C 0.9614(7) 0.0385(6) 0.1714(2) 0.080(3) Uani 1 1 d U . .
H25A H 0.9712 0.0374 0.1506 0.096 Uiso 1 1 calc R . .
H25B H 0.9690 -0.0139 0.1789 0.096 Uiso 1 1 calc R . .
C26 C 1.0413(7) 0.0889(6) 0.1874(2) 0.077(2) Uani 1 1 d U . .
H26A H 1.1064 0.0723 0.1824 0.092 Uiso 1 1 calc R . .
H26B H 1.0316 0.1421 0.1810 0.092 Uiso 1 1 calc R . .
C27 C 1.1193(7) 0.0642(5) 0.2343(2) 0.076(2) Uani 1 1 d U . .
H27A H 1.1746 0.0563 0.2240 0.091 Uiso 1 1 calc R . .
C28 C 1.1333(7) 0.0532(6) 0.2656(2) 0.074(2) Uani 1 1 d U . .
C29 C 1.0682(8) 0.0499(6) 0.2857(2) 0.078(3) Uani 1 1 d U . .
H29A H 0.9997 0.0572 0.2820 0.094 Uiso 1 1 calc R . .
C30 C 1.1199(9) 0.0335(6) 0.3134(3) 0.096(3) Uani 1 1 d U . .
H30A H 1.0939 0.0295 0.3315 0.115 Uiso 1 1 calc R . .
C31 C 1.2139(9) 0.0253(7) 0.3078(3) 0.105(3) Uani 1 1 d U . .
H31A H 1.2655 0.0130 0.3222 0.126 Uiso 1 1 calc R . .
C32 C 1.3191(8) 0.0341(8) 0.2664(3) 0.120(3) Uani 1 1 d U . .
H32A H 1.3726 0.0211 0.2811 0.180 Uiso 1 1 calc R . .
H32B H 1.3315 0.0839 0.2582 0.180 Uiso 1 1 calc R . .
H32C H 1.3148 -0.0041 0.2510 0.180 Uiso 1 1 calc R . .
C33 C 0.3765(7) 0.3222(7) 0.2278(2) 0.097(4) Uani 1 1 d . . .
H33A H 0.3289 0.2822 0.2221 0.146 Uiso 1 1 calc R . .
H33B H 0.3594 0.3681 0.2165 0.146 Uiso 1 1 calc R . .
H33C H 0.3756 0.3331 0.2485 0.146 Uiso 1 1 calc R . .
C34 C 0.5373(9) 0.2047(7) 0.2444(2) 0.109(4) Uani 1 1 d . . .
H34A H 0.4940 0.1623 0.2384 0.164 Uiso 1 1 calc R . .
H34B H 0.5297 0.2179 0.2646 0.164 Uiso 1 1 calc R . .
H34C H 0.6053 0.1901 0.2427 0.164 Uiso 1 1 calc R . .
C35 C 0.5902(8) 0.3713(6) 0.2328(2) 0.101(4) Uani 1 1 d . . .
H35A H 0.6573 0.3584 0.2292 0.152 Uiso 1 1 calc R . .
H35B H 0.5872 0.3806 0.2535 0.152 Uiso 1 1 calc R . .
H35C H 0.5697 0.4171 0.2218 0.152 Uiso 1 1 calc R . .
C36 C 0.3317(8) 0.1633(8) 0.1800(3) 0.139(5) Uani 1 1 d . . .
H36A H 0.2629 0.1740 0.1738 0.208 Uiso 1 1 calc R . .
H36B H 0.3435 0.1688 0.2011 0.208 Uiso 1 1 calc R . .
H36C H 0.3474 0.1115 0.1745 0.208 Uiso 1 1 calc R . .
C37 C 0.3368(7) 0.3151(8) 0.1470(2) 0.125(5) Uani 1 1 d . . .
H37A H 0.2676 0.3020 0.1474 0.187 Uiso 1 1 calc R . .
H37B H 0.3500 0.3257 0.1271 0.187 Uiso 1 1 calc R . .
H37C H 0.3519 0.3600 0.1590 0.187 Uiso 1 1 calc R . .
C38 C 0.4601(8) 0.1856(7) 0.1291(2) 0.110(4) Uani 1 1 d . . .
H38A H 0.4055 0.1602 0.1178 0.165 Uiso 1 1 calc R . .
H38B H 0.5099 0.1481 0.1358 0.165 Uiso 1 1 calc R . .
H38C H 0.4888 0.2233 0.1169 0.165 Uiso 1 1 calc R . .
C39 C 0.8358(10) 0.2884(8) 0.0798(3) 0.139(5) Uani 1 1 d . . .
H39A H 0.8787 0.2725 0.0968 0.208 Uiso 1 1 calc R . .
H39B H 0.8451 0.3426 0.0764 0.208 Uiso 1 1 calc R . .
H39C H 0.8519 0.2596 0.0629 0.208 Uiso 1 1 calc R . .
C40 C 0.6867(11) 0.1638(7) 0.0873(3) 0.145(6) Uani 1 1 d . . .
H40A H 0.6193 0.1511 0.0907 0.217 Uiso 1 1 calc R . .
H40B H 0.7317 0.1428 0.1030 0.217 Uiso 1 1 calc R . .
H40C H 0.7016 0.1422 0.0688 0.217 Uiso 1 1 calc R . .
C41 C 0.6193(11) 0.3013(9) 0.0534(2) 0.148(6) Uani 1 1 d . . .
H41A H 0.5509 0.2917 0.0565 0.222 Uiso 1 1 calc R . .
H41B H 0.6360 0.2729 0.0364 0.222 Uiso 1 1 calc R . .
H41C H 0.6287 0.3556 0.0502 0.222 Uiso 1 1 calc R . .
C42 C 0.7483(10) 0.4689(7) 0.1027(3) 0.151(6) Uani 1 1 d . . .
H42A H 0.7184 0.5089 0.0901 0.226 Uiso 1 1 calc R . .
H42B H 0.7866 0.4353 0.0913 0.226 Uiso 1 1 calc R . .
H42C H 0.7913 0.4918 0.1184 0.226 Uiso 1 1 calc R . .
C43 C 0.6406(8) 0.4416(5) 0.1581(2) 0.097(4) Uani 1 1 d . . .
H43A H 0.6360 0.4969 0.1593 0.146 Uiso 1 1 calc R . .
H43B H 0.6992 0.4243 0.1700 0.146 Uiso 1 1 calc R . .
H43C H 0.5825 0.4187 0.1651 0.146 Uiso 1 1 calc R . .
C44 C 0.5286(9) 0.4427(8) 0.0979(3) 0.140(5) Uani 1 1 d . . .
H44A H 0.5398 0.4871 0.0860 0.211 Uiso 1 1 calc R . .
H44B H 0.4816 0.4556 0.1117 0.211 Uiso 1 1 calc R . .
H44C H 0.5025 0.4012 0.0854 0.211 Uiso 1 1 calc R . .
C45 C 0.9229(9) -0.1697(8) 0.1131(3) 0.107(3) Uani 1 1 d U A .
H45A H 0.9663 -0.1350 0.1233 0.128 Uiso 1 1 calc R . .
C46 C 0.8218(9) -0.1626(8) 0.1131(3) 0.099(3) Uani 1 1 d U . .
C47 C 0.7883(9) -0.2298(7) 0.0959(2) 0.094(3) Uani 1 1 d U A .
C48 C 0.6927(10) -0.2609(8) 0.0868(3) 0.111(3) Uani 1 1 d U . .
H48A H 0.6359 -0.2374 0.0928 0.134 Uiso 1 1 calc R A .
C49 C 0.6840(10) -0.3255(8) 0.0693(3) 0.118(3) Uani 1 1 d U A .
H49A H 0.6211 -0.3434 0.0622 0.142 Uiso 1 1 calc R . .
C50 C 0.7708(10) -0.3655(8) 0.0619(3) 0.113(3) Uani 1 1 d U . .
H50A H 0.7640 -0.4113 0.0512 0.135 Uiso 1 1 calc R A .
C51 C 0.8667(10) -0.3362(7) 0.0708(3) 0.102(3) Uani 1 1 d U A .
H51A H 0.9229 -0.3617 0.0654 0.123 Uiso 1 1 calc R . .
C52 C 0.8772(9) -0.2689(7) 0.0876(2) 0.090(3) Uani 1 1 d U A .
C53 C 0.7630(9) -0.1053(7) 0.1271(2) 0.107(3) Uani 1 1 d U A .
H53A H 0.7995 -0.0894 0.1455 0.128 Uiso 1 1 calc R . .
H53B H 0.7013 -0.1292 0.1318 0.128 Uiso 1 1 calc R . .
C54 C 0.7388(9) -0.0369(8) 0.1092(3) 0.117(3) Uani 1 1 d U . .
H54A H 0.6933 -0.0045 0.1190 0.140 Uiso 1 1 calc R A .
H54B H 0.7992 -0.0074 0.1075 0.140 Uiso 1 1 calc R . .
C55 C 0.6043(10) -0.0364(8) 0.0753(3) 0.128(3) Uani 1 1 d U . .
H55A H 0.5795 -0.0065 0.0899 0.154 Uiso 1 1 calc R A .
C56 C 0.5362(11) -0.0538(9) 0.0502(4) 0.138(3) Uani 1 1 d U A .
C57 C 0.5445(11) -0.1112(9) 0.0290(3) 0.150(4) Uani 1 1 d U . .
H57A H 0.5985 -0.1447 0.0292 0.180 Uiso 1 1 calc R A .
C58 C 0.4601(12) -0.1129(10) 0.0069(4) 0.158(4) Uani 1 1 d U A .
H58A H 0.4501 -0.1426 -0.0102 0.190 Uiso 1 1 calc R . .
C59 C 0.4001(13) -0.0603(10) 0.0174(4) 0.168(4) Uani 1 1 d U . .
H59A H 0.3368 -0.0491 0.0084 0.201 Uiso 1 1 calc R A .
C60 C 0.3990(11) 0.0395(9) 0.0605(3) 0.171(4) Uani 1 1 d U . .
H60A H 0.4461 0.0535 0.0768 0.256 Uiso 1 1 calc R A .
H60B H 0.3382 0.0221 0.0677 0.256 Uiso 1 1 calc R . .
H60C H 0.3853 0.0837 0.0479 0.256 Uiso 1 1 calc R . .
C61 C 1.0173(8) -0.1097(7) 0.0456(2) 0.094(3) Uani 1 1 d U A .
H61A H 1.0023 -0.1518 0.0333 0.112 Uiso 1 1 calc R . .
C62 C 0.9650(9) -0.0421(7) 0.0431(2) 0.090(3) Uani 1 1 d U . .
C63 C 1.0104(8) 0.0081(7) 0.0653(2) 0.087(3) Uani 1 1 d U A .
C64 C 0.9922(9) 0.0815(7) 0.0750(3) 0.104(3) Uani 1 1 d U . .
H64A H 0.9396 0.1103 0.0658 0.124 Uiso 1 1 calc R A .
C65 C 1.0498(10) 0.1113(8) 0.0975(3) 0.114(3) Uani 1 1 d U A .
H65A H 1.0362 0.1610 0.1038 0.137 Uiso 1 1 calc R . .
C66 C 1.1302(10) 0.0711(8) 0.1122(3) 0.109(3) Uani 1 1 d U . .
H66A H 1.1699 0.0937 0.1278 0.131 Uiso 1 1 calc R A .
C67 C 1.1492(9) -0.0039(7) 0.1029(3) 0.099(3) Uani 1 1 d U A .
H67A H 1.2022 -0.0316 0.1125 0.119 Uiso 1 1 calc R . .
C68 C 1.0907(8) -0.0377(7) 0.0797(2) 0.086(3) Uani 1 1 d U A .
C69 C 0.8794(9) -0.0196(7) 0.0204(2) 0.103(3) Uani 1 1 d U A .
H69A H 0.8249 0.0009 0.0305 0.124 Uiso 1 1 calc R . .
H69B H 0.9016 0.0208 0.0078 0.124 Uiso 1 1 calc R . .
C70 C 0.8423(9) -0.0879(7) 0.0015(2) 0.101(3) Uani 1 1 d U . .
H70A H 0.7932 -0.0699 -0.0140 0.121 Uiso 1 1 calc R A .
H70B H 0.8977 -0.1098 -0.0078 0.121 Uiso 1 1 calc R . .
C71 C 0.7634(10) -0.2098(8) 0.0047(3) 0.113(3) Uani 1 1 d U . .
H71A H 0.7343 -0.2449 0.0167 0.136 Uiso 1 1 calc R A .
C72 C 0.7628(12) -0.2319(9) -0.0243(3) 0.125(3) Uani 1 1 d U A .
C73 C 0.7995(11) -0.2021(9) -0.0491(3) 0.141(4) Uani 1 1 d U . .
H73A H 0.8319 -0.1547 -0.0498 0.170 Uiso 1 1 calc R A .
C74 C 0.7818(13) -0.2523(10) -0.0730(4) 0.159(4) Uani 1 1 d U A .
H74A H 0.8015 -0.2473 -0.0919 0.191 Uiso 1 1 calc R . .
C75 C 0.7284(13) -0.3106(10) -0.0618(4) 0.158(4) Uani 1 1 d U . .
H75A H 0.7021 -0.3522 -0.0729 0.190 Uiso 1 1 calc R A .
C76 C 0.6729(12) -0.3557(9) -0.0160(3) 0.154(4) Uani 1 1 d U . .
H76A H 0.6510 -0.3997 -0.0278 0.231 Uiso 1 1 calc R A .
H76B H 0.6166 -0.3322 -0.0082 0.231 Uiso 1 1 calc R . .
H76C H 0.7202 -0.3720 -0.0001 0.231 Uiso 1 1 calc R . .
C77 C 1.1907(11) -0.2331(8) 0.0125(2) 0.131(5) Uani 1 1 d . . .
H77A H 1.2574 -0.2270 0.0218 0.196 Uiso 1 1 calc R A .
H77B H 1.1498 -0.1915 0.0183 0.196 Uiso 1 1 calc R . .
H77C H 1.1918 -0.2325 -0.0086 0.196 Uiso 1 1 calc R . .
C78 C 1.2094(13) -0.4034(9) 0.0072(3) 0.194(8) Uani 1 1 d . . .
H78A H 1.2772 -0.4040 0.0160 0.291 Uiso 1 1 calc R A .
H78B H 1.2085 -0.3955 -0.0137 0.291 Uiso 1 1 calc R . .
H78C H 1.1782 -0.4519 0.0109 0.291 Uiso 1 1 calc R . .
C79 C 1.0104(12) -0.3323(10) 0.0043(3) 0.184(7) Uani 1 1 d . . .
H79A H 0.9688 -0.2927 0.0114 0.275 Uiso 1 1 calc R A .
H79B H 0.9834 -0.3822 0.0083 0.275 Uiso 1 1 calc R . .
H79C H 1.0127 -0.3265 -0.0166 0.275 Uiso 1 1 calc R . .
C80 C 1.0604(10) -0.4956(7) 0.0637(3) 0.160(6) Uani 1 1 d . . .
H80A H 1.0943 -0.5445 0.0645 0.240 Uiso 1 1 calc R A .
H80B H 1.0382 -0.4832 0.0436 0.240 Uiso 1 1 calc R . .
H80C H 1.0039 -0.4985 0.0750 0.240 Uiso 1 1 calc R . .
C81 C 1.1122(9) -0.4024(7) 0.1180(2) 0.122(5) Uani 1 1 d . . .
H81A H 1.1064 -0.4516 0.1275 0.183 Uiso 1 1 calc R A .
H81B H 1.0493 -0.3759 0.1169 0.183 Uiso 1 1 calc R . .
H81C H 1.1623 -0.3719 0.1291 0.183 Uiso 1 1 calc R . .
C82 C 1.2790(11) -0.4570(8) 0.0833(3) 0.179(7) Uani 1 1 d . . .
H82A H 1.2772 -0.5117 0.0796 0.269 Uiso 1 1 calc R A .
H82B H 1.3098 -0.4475 0.1029 0.269 Uiso 1 1 calc R . .
H82C H 1.3169 -0.4320 0.0692 0.269 Uiso 1 1 calc R . .
C83 C 1.0667(16) -0.222(2) 0.1716(14) 0.134(15) Uani 0.50 1 d PDU A 1
H83A H 1.0284 -0.1751 0.1683 0.200 Uiso 0.50 1 calc PR A 1
H83B H 1.0596 -0.2407 0.1911 0.200 Uiso 0.50 1 calc PR A 1
H83C H 1.0430 -0.2599 0.1573 0.200 Uiso 0.50 1 calc PR A 1
C83A C 1.097(2) -0.2679(18) 0.1748(14) 0.134(15) Uani 0.50 1 d PDU A 2
H83D H 1.1236 -0.3189 0.1786 0.201 Uiso 0.50 1 calc PR A 2
H83E H 1.0493 -0.2691 0.1577 0.201 Uiso 0.50 1 calc PR A 2
H83F H 1.0655 -0.2503 0.1915 0.201 Uiso 0.50 1 calc PR A 2
C84 C 1.201(8) -0.1037(19) 0.1854(11) 0.148(14) Uani 0.50 1 d PDU A 1
H84A H 1.2666 -0.0813 0.1855 0.222 Uiso 0.50 1 calc PR A 1
H84B H 1.1848 -0.1086 0.2054 0.222 Uiso 0.50 1 calc PR A 1
H84C H 1.1533 -0.0711 0.1745 0.222 Uiso 0.50 1 calc PR A 1
C84A C 1.173(8) -0.098(2) 0.1748(12) 0.147(14) Uani 0.50 1 d PDU A 2
H84D H 1.2337 -0.0682 0.1759 0.220 Uiso 0.50 1 calc PR A 2
H84E H 1.1437 -0.0929 0.1931 0.220 Uiso 0.50 1 calc PR A 2
H84F H 1.1273 -0.0782 0.1590 0.220 Uiso 0.50 1 calc PR A 2
C85 C 1.2883(11) -0.2475(9) 0.1969(3) 0.160(6) Uani 1 1 d . A .
H85A H 1.3557 -0.2340 0.1937 0.240 Uiso 1 1 calc R . .
H85B H 1.2805 -0.3026 0.1957 0.240 Uiso 1 1 calc R . .
H85C H 1.2741 -0.2299 0.2160 0.240 Uiso 1 1 calc R . .
C86 C 1.3516(8) -0.1961(8) 0.0837(2) 0.115(4) Uani 1 1 d . A .
H86A H 1.4181 -0.1861 0.0787 0.172 Uiso 1 1 calc R . .
H86B H 1.3082 -0.1551 0.0762 0.172 Uiso 1 1 calc R . .
H86C H 1.3284 -0.2443 0.0751 0.172 Uiso 1 1 calc R . .
C87 C 1.4338(9) -0.2864(9) 0.1363(3) 0.166(7) Uani 1 1 d . A .
H87A H 1.4966 -0.2679 0.1455 0.249 Uiso 1 1 calc R . .
H87B H 1.4448 -0.3176 0.1195 0.249 Uiso 1 1 calc R . .
H87C H 1.4015 -0.3168 0.1502 0.249 Uiso 1 1 calc R . .
C88 C 1.4171(9) -0.1110(9) 0.1387(3) 0.172(7) Uani 1 1 d . A .
H88A H 1.4834 -0.1236 0.1470 0.257 Uiso 1 1 calc R . .
H88B H 1.3806 -0.0886 0.1537 0.257 Uiso 1 1 calc R . .
H88C H 1.4204 -0.0747 0.1229 0.257 Uiso 1 1 calc R . .

loop_
_atom_site_aniso_label
_atom_site_aniso_U_11
_atom_site_aniso_U_22
_atom_site_aniso_U_33
_atom_site_aniso_U_23
_atom_site_aniso_U_13
_atom_site_aniso_U_12
Dy1 0.0431(2) 0.0697(3) 0.0596(3) 0.0094(3) 0.00298(19) 0.0048(2)
Dy2 0.0760(4) 0.1000(4) 0.0633(4) 0.0007(3) -0.0074(3) 0.0125(3)
Li1 0.068(11) 0.112(14) 0.071(12) -0.002(11) -0.004(9) -0.010(10)
Li2 0.117(18) 0.132(19) 0.14(2) 0.052(16) 0.018(15) 0.010(15)
Si1 0.0560(17) 0.111(3) 0.0496(18) 0.0000(16) 0.0009(13) 0.0149(15)
Si2 0.0471(15) 0.150(3) 0.066(2) -0.017(2) 0.0003(14) -0.0062(18)
Si3 0.099(2) 0.108(3) 0.073(2) 0.005(2) 0.0216(18) 0.006(2)
Si4 0.096(2) 0.080(2) 0.091(3) 0.0218(19) 0.0065(19) 0.0162(18)
Si5 0.161(4) 0.132(4) 0.090(3) -0.021(3) 0.040(3) 0.002(3)
Si6 0.104(3) 0.110(3) 0.112(3) -0.002(2) 0.004(2) 0.029(2)
Si7 0.077(2) 0.111(2) 0.063(2) 0.0034(18) -0.0062(16) 0.0134(18)
Si8 0.067(2) 0.163(3) 0.088(3) 0.013(2) -0.0013(18) -0.007(2)
N1 0.046(4) 0.071(4) 0.079(5) 0.016(4) 0.004(4) 0.006(3)
N2 0.062(4) 0.073(5) 0.057(4) -0.005(4) -0.003(4) 0.002(4)
N3 0.087(5) 0.091(5) 0.064(5) 0.001(4) 0.020(4) 0.006(4)
N4 0.051(4) 0.068(4) 0.096(5) 0.018(4) 0.003(4) 0.002(4)
N5 0.063(4) 0.078(5) 0.074(5) -0.005(4) -0.005(4) 0.013(4)
N6 0.070(4) 0.134(5) 0.102(5) 0.004(5) -0.010(5) 0.003(4)
N7 0.038(4) 0.077(5) 0.059(5) 0.000(4) -0.006(3) -0.008(4)
N8 0.080(6) 0.076(6) 0.053(5) 0.007(4) 0.006(4) -0.002(4)
N9 0.061(4) 0.097(5) 0.073(5) -0.003(4) -0.009(4) 0.008(4)
N10 0.093(6) 0.118(6) 0.111(6) -0.018(5) -0.026(5) 0.014(5)
N11 0.135(7) 0.175(8) 0.172(8) -0.016(6) -0.028(6) 0.030(6)
N12 0.097(5) 0.092(5) 0.071(5) 0.004(5) -0.014(4) 0.009(5)
N13 0.109(6) 0.110(7) 0.067(6) 0.002(5) -0.003(5) 0.010(5)
N14 0.180(7) 0.155(7) 0.103(7) -0.006(6) -0.008(6) -0.021(6)
N15 0.097(7) 0.100(7) 0.080(7) -0.008(5) 0.007(5) 0.005(5)
N16 0.075(5) 0.111(6) 0.050(5) 0.004(4) -0.001(4) 0.016(4)
C1 0.046(4) 0.078(5) 0.081(5) 0.011(5) 0.005(4) 0.003(4)
C2 0.045(4) 0.068(4) 0.075(5) -0.002(4) -0.012(4) 0.005(4)
C3 0.045(4) 0.065(4) 0.086(5) -0.002(4) -0.001(4) 0.001(4)
C4 0.059(5) 0.093(6) 0.107(7) 0.007(5) 0.012(5) 0.000(5)
C5 0.064(6) 0.122(7) 0.129(8) 0.014(6) 0.022(5) -0.005(5)
C6 0.074(6) 0.119(6) 0.121(7) 0.017(6) 0.027(5) -0.003(5)
C7 0.059(5) 0.095(6) 0.103(6) 0.012(5) 0.021(5) -0.001(5)
C8 0.051(4) 0.063(5) 0.090(5) 0.007(4) 0.007(4) 0.002(4)
C9 0.055(4) 0.078(5) 0.077(5) -0.005(5) -0.012(4) -0.002(4)
C10 0.066(5) 0.071(5) 0.063(5) -0.005(4) -0.007(4) 0.003(4)
C11 0.073(5) 0.071(5) 0.055(5) 0.000(4) -0.003(4) 0.010(4)
C12 0.083(5) 0.082(5) 0.051(5) -0.001(4) 0.007(4) 0.010(4)
C13 0.105(6) 0.099(6) 0.066(6) -0.001(5) 0.019(5) 0.005(5)
C14 0.122(7) 0.118(7) 0.077(6) -0.007(6) 0.030(5) 0.004(6)
C15 0.102(6) 0.116(7) 0.079(6) -0.004(6) 0.028(5) -0.001(5)
C16 0.091(5) 0.101(6) 0.073(6) 0.001(5) 0.021(5) 0.002(5)
C17 0.062(5) 0.070(5) 0.097(6) -0.004(5) 0.012(5) 0.005(4)
C18 0.064(5) 0.060(5) 0.067(5) -0.011(4) -0.008(4) 0.005(4)
C19 0.081(5) 0.064(5) 0.051(5) -0.009(4) -0.012(4) 0.007(4)
C20 0.110(6) 0.072(5) 0.076(6) 0.010(5) 0.000(5) 0.014(5)
C21 0.133(7) 0.078(6) 0.091(6) 0.019(5) 0.008(6) -0.004(6)
C22 0.110(7) 0.097(6) 0.080(6) 0.009(5) 0.011(6) -0.016(6)
C23 0.081(6) 0.084(6) 0.064(5) 0.000(5) -0.008(5) -0.006(5)
C24 0.066(5) 0.070(5) 0.056(5) 0.000(4) -0.010(4) -0.001(4)
C25 0.072(5) 0.085(6) 0.081(6) -0.014(5) -0.009(5) 0.017(5)
C26 0.064(5) 0.088(6) 0.080(6) -0.003(5) 0.006(5) 0.018(4)
C27 0.065(5) 0.075(5) 0.085(6) -0.010(5) 0.001(5) -0.002(4)
C28 0.061(5) 0.080(5) 0.081(5) -0.004(5) -0.003(4) -0.002(4)
C29 0.076(6) 0.079(5) 0.077(6) 0.005(5) -0.008(5) -0.004(5)
C30 0.099(6) 0.101(6) 0.084(6) 0.008(5) -0.012(6) 0.006(6)
C31 0.091(6) 0.126(6) 0.092(6) 0.012(6) -0.021(6) 0.006(6)
C32 0.079(5) 0.154(6) 0.122(6) 0.009(6) -0.014(5) 0.009(6)
C33 0.072(7) 0.138(10) 0.084(8) -0.009(7) 0.018(6) 0.025(7)
C34 0.118(10) 0.154(11) 0.055(7) 0.010(7) -0.001(7) 0.036(9)
C35 0.093(8) 0.127(10) 0.078(8) -0.026(7) -0.021(7) 0.011(7)
C36 0.058(7) 0.194(14) 0.163(13) -0.036(11) 0.003(8) -0.061(8)
C37 0.057(7) 0.251(16) 0.063(8) 0.003(9) -0.012(6) 0.046(9)
C38 0.089(8) 0.148(11) 0.090(9) -0.040(8) -0.008(7) -0.035(8)
C39 0.137(12) 0.180(14) 0.108(11) -0.019(10) 0.050(9) 0.016(10)
C40 0.182(15) 0.092(10) 0.170(14) -0.025(9) 0.064(11) 0.010(9)
C41 0.190(15) 0.195(15) 0.052(8) 0.005(9) -0.019(9) 0.050(12)
C42 0.172(14) 0.080(9) 0.205(15) 0.061(10) 0.041(12) 0.005(9)
C43 0.119(10) 0.049(6) 0.122(10) 0.003(6) -0.001(8) 0.015(6)
C44 0.132(12) 0.152(12) 0.128(11) 0.019(10) -0.034(9) 0.059(10)
C45 0.081(6) 0.135(7) 0.098(6) -0.014(6) -0.018(5) -0.004(6)
C46 0.083(5) 0.127(6) 0.085(6) -0.013(5) -0.007(5) 0.006(5)
C47 0.091(5) 0.114(6) 0.076(5) 0.005(5) -0.005(5) 0.003(5)
C48 0.106(6) 0.123(7) 0.102(7) 0.005(6) -0.002(6) -0.006(6)
C49 0.118(7) 0.115(7) 0.119(7) 0.003(6) -0.006(7) -0.025(6)
C50 0.122(7) 0.107(7) 0.106(7) 0.013(6) -0.008(7) -0.021(6)
C51 0.112(7) 0.105(7) 0.088(6) 0.010(6) -0.002(6) 0.001(6)
C52 0.093(5) 0.105(6) 0.070(5) 0.003(5) -0.005(5) 0.008(5)
C53 0.096(6) 0.135(7) 0.087(7) -0.014(6) -0.005(5) 0.022(6)
C54 0.108(7) 0.133(7) 0.103(7) -0.021(6) -0.022(6) 0.015(6)
C55 0.111(7) 0.134(7) 0.132(7) -0.003(7) -0.023(7) 0.007(7)
C56 0.114(7) 0.149(7) 0.142(8) -0.007(6) -0.025(6) 0.009(6)
C57 0.120(8) 0.168(9) 0.156(9) -0.010(8) -0.018(7) 0.005(7)
C58 0.128(9) 0.180(9) 0.156(9) -0.012(8) -0.035(7) 0.005(8)
C59 0.142(9) 0.181(9) 0.168(9) -0.014(8) -0.040(8) 0.008(7)
C60 0.140(8) 0.182(9) 0.181(9) -0.020(7) -0.029(7) 0.036(7)
C61 0.103(6) 0.093(6) 0.078(6) -0.005(5) -0.025(5) 0.008(5)
C62 0.101(6) 0.090(6) 0.073(5) 0.002(5) -0.015(5) -0.001(5)
C63 0.095(5) 0.086(6) 0.076(5) 0.005(5) -0.004(5) 0.001(5)
C64 0.112(7) 0.096(6) 0.101(7) -0.007(6) -0.002(6) -0.001(6)
C65 0.118(7) 0.115(7) 0.107(7) -0.010(6) 0.000(6) -0.007(6)
C66 0.106(7) 0.122(7) 0.100(7) -0.014(6) 0.005(6) -0.032(6)
C67 0.092(6) 0.118(7) 0.085(6) 0.010(6) 0.003(5) -0.017(6)
C68 0.086(5) 0.097(6) 0.074(6) 0.008(5) -0.004(5) -0.012(5)
C69 0.116(7) 0.103(6) 0.086(6) 0.013(5) -0.016(5) 0.008(6)
C70 0.112(7) 0.116(7) 0.070(6) 0.009(5) -0.008(5) 0.014(6)
C71 0.131(7) 0.123(7) 0.082(7) 0.004(6) -0.010(6) 0.003(6)
C72 0.150(7) 0.141(7) 0.081(6) 0.003(6) -0.004(6) -0.013(6)
C73 0.166(8) 0.163(9) 0.090(8) -0.018(7) -0.015(7) -0.019(7)
C74 0.189(9) 0.176(9) 0.107(8) -0.019(7) -0.008(7) -0.028(7)
C75 0.189(9) 0.169(9) 0.113(8) -0.011(8) -0.007(8) -0.027(7)
C76 0.185(8) 0.157(8) 0.115(8) -0.001(7) -0.010(7) -0.025(7)
C77 0.166(13) 0.168(13) 0.062(8) 0.001(8) 0.032(8) -0.009(11)
C78 0.28(2) 0.200(17) 0.110(12) -0.007(12) 0.068(13) 0.072(16)
C79 0.178(16) 0.25(2) 0.112(12) -0.014(12) -0.045(11) -0.034(14)
C80 0.143(13) 0.110(11) 0.215(16) -0.031(11) -0.043(12) -0.007(9)
C81 0.139(12) 0.128(11) 0.096(10) 0.044(8) -0.001(8) 0.014(9)
C82 0.169(16) 0.141(13) 0.218(17) 0.005(13) -0.025(13) 0.067(12)
C83 0.095(18) 0.24(4) 0.072(16) -0.02(4) 0.04(2) -0.01(2)
C83A 0.096(18) 0.24(4) 0.073(16) -0.02(4) 0.04(2) -0.01(2)
C84 0.25(6) 0.133(13) 0.06(3) 0.021(16) 0.02(3) 0.102(15)
C84A 0.24(6) 0.133(13) 0.06(3) 0.022(16) 0.02(3) 0.104(15)
C85 0.179(15) 0.218(16) 0.078(10) 0.037(10) -0.015(9) 0.078(12)
C86 0.097(9) 0.155(11) 0.094(9) 0.008(9) 0.023(7) -0.025(8)
C87 0.084(10) 0.27(2) 0.150(13) 0.062(13) 0.020(9) 0.049(11)
C88 0.093(10) 0.28(2) 0.142(13) -0.015(13) 0.003(9) -0.076(12)

_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
Dy1 N7 2.245(6) . ?
Dy1 N8 2.259(7) . ?
Dy1 N4 2.291(7) . ?
Dy1 N1 2.339(7) . ?
Dy1 Si4 3.248(3) . ?
Dy1 Si2 3.312(3) . ?
Dy2 N15 2.229(8) . ?
Dy2 N16 2.263(7) . ?
Dy2 N9 2.313(8) . ?
Dy2 N12 2.323(9) . ?
Dy2 Si8 3.274(3) . ?
Dy2 Si6 3.328(4) . ?
Li1 N5 1.999(19) . ?
Li1 N2 2.027(19) . ?
Li1 C18 2.467(19) . ?
Li1 C2 2.62(2) . ?
Li1 C19 2.711(19) . ?
Li1 C26 2.74(2) . ?
Li2 N10 1.96(3) . ?
Li2 N13 2.08(3) . ?
Li2 C46 2.41(3) . ?
Li2 C47 2.41(2) . ?
Li2 C54 2.74(3) . ?
Si1 N7 1.719(7) . ?
Si1 C34 1.847(11) . ?
Si1 C35 1.878(11) . ?
Si1 C33 1.881(9) . ?
Si2 N7 1.710(7) . ?
Si2 C37 1.824(12) . ?
Si2 C38 1.856(11) . ?
Si2 C36 1.908(12) . ?
Si3 N8 1.705(8) . ?
Si3 C40 1.845(12) . ?
Si3 C41 1.853(11) . ?
Si3 C39 1.895(13) . ?
Si4 N8 1.702(8) . ?
Si4 C42 1.861(12) . ?
Si4 C44 1.865(11) . ?
Si4 C43 1.886(11) . ?
Si5 N15 1.741(9) . ?
Si5 C77 1.799(13) . ?
Si5 C78 1.859(14) . ?
Si5 C79 1.885(14) . ?
Si6 N15 1.712(9) . ?
Si6 C82 1.873(14) . ?
Si6 C81 1.875(12) . ?
Si6 C80 1.893(12) . ?
Si7 N16 1.696(8) . ?
Si7 C84A 1.855(18) . ?
Si7 C84 1.857(18) . ?
Si7 C83 1.861(17) . ?
Si7 C83A 1.861(18) . ?
Si7 C85 1.864(12) . ?
Si8 N16 1.727(8) . ?
Si8 C86 1.837(11) . ?
Si8 C88 1.881(14) . ?
Si8 C87 1.887(13) . ?
N1 C1 1.363(10) . ?
N1 C8 1.392(10) . ?
N2 C11 1.296(11) . ?
N2 C10 1.442(10) . ?
N3 C15 1.349(12) . ?
N3 C12 1.400(12) . ?
N3 C16 1.425(11) . ?
N4 C24 1.363(11) . ?
N4 C17 1.365(11) . ?
N5 C27 1.291(11) . ?
N5 C26 1.447(11) . ?
N6 C31 1.319(13) . ?
N6 C28 1.386(12) . ?
N6 C32 1.440(13) . ?
N9 C52 1.302(13) . ?
N9 C45 1.426(13) . ?
N10 C55 1.251(14) . ?
N10 C54 1.445(13) . ?
N11 C56 1.393(17) . ?
N11 C59 1.408(17) . ?
N11 C60 1.480(17) . ?
N12 C61 1.369(12) . ?
N12 C68 1.373(13) . ?
N13 C71 1.312(14) . ?
N13 C70 1.429(13) . ?
N14 C75 1.304(16) . ?
N14 C72 1.395(18) . ?
N14 C76 1.414(16) . ?
C1 C2 1.373(11) . ?
C1 H1A 0.9300 . ?
C2 C3 1.406(12) . ?
C2 C9 1.496(12) . ?
C3 C8 1.407(12) . ?
C3 C4 1.409(12) . ?
C4 C5 1.354(14) . ?
C4 H4A 0.9300 . ?
C5 C6 1.394(14) . ?
C5 H5A 0.9300 . ?
C6 C7 1.428(13) . ?
C6 H6A 0.9300 . ?
C7 C8 1.358(12) . ?
C7 H7A 0.9300 . ?
C9 C10 1.520(12) . ?
C9 H9A 0.9700 . ?
C9 H9B 0.9700 . ?
C10 H10A 0.9700 . ?
C10 H10B 0.9700 . ?
C11 C12 1.405(12) . ?
C11 H11A 0.9300 . ?
C12 C13 1.409(13) . ?
C13 C14 1.390(14) . ?
C13 H13A 0.9300 . ?
C14 C15 1.348(14) . ?
C14 H14A 0.9300 . ?
C15 H15A 0.9300 . ?
C16 H16A 0.9600 . ?
C16 H16B 0.9600 . ?
C16 H16C 0.9600 . ?
C17 C18 1.376(12) . ?
C17 H17A 0.9300 . ?
C18 C19 1.388(12) . ?
C18 C25 1.502(12) . ?
C19 C24 1.403(12) . ?
C19 C20 1.433(13) . ?
C20 C21 1.374(14) . ?
C20 H20A 0.9300 . ?
C21 C22 1.391(14) . ?
C21 H21A 0.9300 . ?
C22 C23 1.387(13) . ?
C22 H22A 0.9300 . ?
C23 C24 1.393(12) . ?
C23 H23A 0.9300 . ?
C25 C26 1.514(12) . ?
C25 H25A 0.9700 . ?
C25 H25B 0.9700 . ?
C26 H26A 0.9700 . ?
C26 H26B 0.9700 . ?
C27 C28 1.429(13) . ?
C27 H27A 0.9300 . ?
C28 C29 1.329(12) . ?
C29 C30 1.408(13) . ?
C29 H29A 0.9300 . ?
C30 C31 1.323(14) . ?
C30 H30A 0.9300 . ?
C31 H31A 0.9300 . ?
C32 H32A 0.9600 . ?
C32 H32B 0.9600 . ?
C32 H32C 0.9600 . ?
C33 H33A 0.9600 . ?
C33 H33B 0.9600 . ?
C33 H33C 0.9600 . ?
C34 H34A 0.9600 . ?
C34 H34B 0.9600 . ?
C34 H34C 0.9600 . ?
C35 H35A 0.9600 . ?
C35 H35B 0.9600 . ?
C35 H35C 0.9600 . ?
C36 H36A 0.9600 . ?
C36 H36B 0.9600 . ?
C36 H36C 0.9600 . ?
C37 H37A 0.9600 . ?
C37 H37B 0.9600 . ?
C37 H37C 0.9600 . ?
C38 H38A 0.9600 . ?
C38 H38B 0.9600 . ?
C38 H38C 0.9600 . ?
C39 H39A 0.9600 . ?
C39 H39B 0.9600 . ?
C39 H39C 0.9600 . ?
C40 H40A 0.9600 . ?
C40 H40B 0.9600 . ?
C40 H40C 0.9600 . ?
C41 H41A 0.9600 . ?
C41 H41B 0.9600 . ?
C41 H41C 0.9600 . ?
C42 H42A 0.9600 . ?
C42 H42B 0.9600 . ?
C42 H42C 0.9600 . ?
C43 H43A 0.9600 . ?
C43 H43B 0.9600 . ?
C43 H43C 0.9600 . ?
C44 H44A 0.9600 . ?
C44 H44B 0.9600 . ?
C44 H44C 0.9600 . ?
C45 C46 1.367(14) . ?
C45 H45A 0.9300 . ?
C46 C47 1.447(15) . ?
C46 C53 1.454(14) . ?
C47 C48 1.419(16) . ?
C47 C52 1.456(15) . ?
C48 C49 1.370(15) . ?
C48 H48A 0.9300 . ?
C49 C50 1.426(16) . ?
C49 H49A 0.9300 . ?
C50 C51 1.409(15) . ?
C50 H50A 0.9300 . ?
C51 C52 1.394(14) . ?
C51 H51A 0.9300 . ?
C53 C54 1.454(14) . ?
C53 H53A 0.9700 . ?
C53 H53B 0.9700 . ?
C54 H54A 0.9700 . ?
C54 H54B 0.9700 . ?
C55 C56 1.425(17) . ?
C55 H55A 0.9300 . ?
C56 C57 1.394(18) . ?
C57 C58 1.443(17) . ?
C57 H57A 0.9300 . ?
C58 C59 1.336(19) . ?
C58 H58A 0.9300 . ?
C59 H59A 0.9300 . ?
C60 H60A 0.9600 . ?
C60 H60B 0.9600 . ?
C60 H60C 0.9600 . ?
C61 C62 1.364(14) . ?
C61 H61A 0.9300 . ?
C62 C63 1.422(14) . ?
C62 C69 1.522(13) . ?
C63 C64 1.375(14) . ?
C63 C68 1.443(14) . ?
C64 C65 1.327(14) . ?
C64 H64A 0.9300 . ?
C65 C66 1.400(16) . ?
C65 H65A 0.9300 . ?
C66 C67 1.395(15) . ?
C66 H66A 0.9300 . ?
C67 C68 1.383(14) . ?
C67 H67A 0.9300 . ?
C69 C70 1.516(13) . ?
C69 H69A 0.9700 . ?
C69 H69B 0.9700 . ?
C70 H70A 0.9700 . ?
C70 H70B 0.9700 . ?
C71 C72 1.370(17) . ?
C71 H71A 0.9300 . ?
C72 C73 1.377(18) . ?
C73 C74 1.392(18) . ?
C73 H73A 0.9300 . ?
C74 C75 1.366(19) . ?
C74 H74A 0.9300 . ?
C75 H75A 0.9300 . ?
C76 H76A 0.9600 . ?
C76 H76B 0.9600 . ?
C76 H76C 0.9600 . ?
C77 H77A 0.9600 . ?
C77 H77B 0.9600 . ?
C77 H77C 0.9600 . ?
C78 H78A 0.9600 . ?
C78 H78B 0.9600 . ?
C78 H78C 0.9600 . ?
C79 H79A 0.9600 . ?
C79 H79B 0.9600 . ?
C79 H79C 0.9600 . ?
C80 H80A 0.9600 . ?
C80 H80B 0.9600 . ?
C80 H80C 0.9600 . ?
C81 H81A 0.9600 . ?
C81 H81B 0.9600 . ?
C81 H81C 0.9600 . ?
C82 H82A 0.9600 . ?
C82 H82B 0.9600 . ?
C82 H82C 0.9600 . ?
C83 H83A 0.9600 . ?
C83 H83B 0.9600 . ?
C83 H83C 0.9600 . ?
C83A H83D 0.9600 . ?
C83A H83E 0.9600 . ?
C83A H83F 0.9600 . ?
C84 H84A 0.9600 . ?
C84 H84B 0.9600 . ?
C84 H84C 0.9600 . ?
C84A H84D 0.9600 . ?
C84A H84E 0.9600 . ?
C84A H84F 0.9600 . ?
C85 H85A 0.9600 . ?
C85 H85B 0.9600 . ?
C85 H85C 0.9600 . ?
C86 H86A 0.9600 . ?
C86 H86B 0.9600 . ?
C86 H86C 0.9600 . ?
C87 H87A 0.9600 . ?
C87 H87B 0.9600 . ?
C87 H87C 0.9600 . ?
C88 H88A 0.9600 . ?
C88 H88B 0.9600 . ?
C88 H88C 0.9600 . ?

loop_
_geom_angle_atom_site_label_1
_geom_angle_atom_site_label_2
_geom_angle_atom_site_label_3
_geom_angle
_geom_angle_site_symmetry_1
_geom_angle_site_symmetry_3
_geom_angle_publ_flag
N7 Dy1 N8 122.3(3) . . ?
N7 Dy1 N4 106.5(3) . . ?
N8 Dy1 N4 112.8(3) . . ?
N7 Dy1 N1 115.9(2) . . ?
N8 Dy1 N1 108.1(3) . . ?
N4 Dy1 N1 85.3(3) . . ?
N7 Dy1 Si4 106.07(19) . . ?
N8 Dy1 Si4 29.6(2) . . ?
N4 Dy1 Si4 141.5(2) . . ?
N1 Dy1 Si4 98.60(19) . . ?
N7 Dy1 Si2 28.36(17) . . ?
N8 Dy1 Si2 102.0(2) . . ?
N4 Dy1 Si2 100.91(19) . . ?
N1 Dy1 Si2 144.07(19) . . ?
Si4 Dy1 Si2 97.94(9) . . ?
N15 Dy2 N16 121.8(3) . . ?
N15 Dy2 N9 101.3(3) . . ?
N16 Dy2 N9 115.8(3) . . ?
N15 Dy2 N12 116.7(3) . . ?
N16 Dy2 N12 109.5(3) . . ?
N9 Dy2 N12 85.8(3) . . ?
N15 Dy2 Si8 104.5(2) . . ?
N16 Dy2 Si8 29.8(2) . . ?
N9 Dy2 Si8 145.5(2) . . ?
N12 Dy2 Si8 102.3(2) . . ?
N15 Dy2 Si6 27.9(2) . . ?
N16 Dy2 Si6 102.4(2) . . ?
N9 Dy2 Si6 95.1(2) . . ?
N12 Dy2 Si6 144.0(2) . . ?
Si8 Dy2 Si6 97.09(10) . . ?
N5 Li1 N2 127.0(9) . . ?
N5 Li1 C18 84.2(7) . . ?
N2 Li1 C18 142.3(9) . . ?
N5 Li1 C2 104.4(8) . . ?
N2 Li1 C2 77.1(7) . . ?
C18 Li1 C2 119.1(8) . . ?
N5 Li1 C19 104.7(8) . . ?
N2 Li1 C19 112.5(8) . . ?
C18 Li1 C19 30.6(3) . . ?
C2 Li1 C19 132.2(7) . . ?
N5 Li1 C26 30.8(4) . . ?
N2 Li1 C26 157.5(8) . . ?
C18 Li1 C26 57.7(5) . . ?
C2 Li1 C26 102.6(7) . . ?
C19 Li1 C26 84.7(6) . . ?
N10 Li2 N13 128.4(12) . . ?
N10 Li2 C46 80.6(10) . . ?
N13 Li2 C46 148.1(13) . . ?
N10 Li2 C47 97.9(10) . . ?
N13 Li2 C47 117.4(12) . . ?
C46 Li2 C47 35.0(5) . . ?
N10 Li2 C54 30.5(5) . . ?
N13 Li2 C54 155.5(11) . . ?
C46 Li2 C54 56.3(7) . . ?
C47 Li2 C54 84.5(8) . . ?
N7 Si1 C34 110.5(4) . . ?
N7 Si1 C35 110.9(4) . . ?
C34 Si1 C35 108.7(5) . . ?
N7 Si1 C33 113.4(4) . . ?
C34 Si1 C33 107.8(5) . . ?
C35 Si1 C33 105.3(5) . . ?
N7 Si2 C37 111.0(5) . . ?
N7 Si2 C38 108.7(4) . . ?
C37 Si2 C38 106.6(5) . . ?
N7 Si2 C36 113.6(5) . . ?
C37 Si2 C36 108.4(6) . . ?
C38 Si2 C36 108.2(6) . . ?
N7 Si2 Dy1 38.6(2) . . ?
C37 Si2 Dy1 114.6(4) . . ?
C38 Si2 Dy1 71.1(3) . . ?
C36 Si2 Dy1 135.3(4) . . ?
N8 Si3 C40 113.7(5) . . ?
N8 Si3 C41 111.0(5) . . ?
C40 Si3 C41 104.8(7) . . ?
N8 Si3 C39 111.8(5) . . ?
C40 Si3 C39 106.1(6) . . ?
C41 Si3 C39 109.0(6) . . ?
N8 Si4 C42 112.4(5) . . ?
N8 Si4 C44 113.7(5) . . ?
C42 Si4 C44 106.2(6) . . ?
N8 Si4 C43 108.6(4) . . ?
C42 Si4 C43 109.8(6) . . ?
C44 Si4 C43 105.9(5) . . ?
N8 Si4 Dy1 41.0(2) . . ?
C42 Si4 Dy1 132.1(4) . . ?
C44 Si4 Dy1 120.6(5) . . ?
C43 Si4 Dy1 67.9(3) . . ?
N15 Si5 C77 111.6(5) . . ?
N15 Si5 C78 112.9(6) . . ?
C77 Si5 C78 108.4(7) . . ?
N15 Si5 C79 112.8(6) . . ?
C77 Si5 C79 107.2(7) . . ?
C78 Si5 C79 103.5(8) . . ?
N15 Si6 C82 111.0(6) . . ?
N15 Si6 C81 108.2(5) . . ?
C82 Si6 C81 107.4(6) . . ?
N15 Si6 C80 116.6(6) . . ?
C82 Si6 C80 108.9(7) . . ?
C81 Si6 C80 104.2(7) . . ?
N15 Si6 Dy2 37.5(3) . . ?
C82 Si6 Dy2 115.8(5) . . ?
C81 Si6 Dy2 71.5(4) . . ?
C80 Si6 Dy2 134.3(4) . . ?
N16 Si7 C84A 109(3) . . ?
N16 Si7 C84 120(3) . . ?
C84A Si7 C84 18(3) . . ?
N16 Si7 C83 113.0(19) . . ?
C84A Si7 C83 88(4) . . ?
C84 Si7 C83 96(4) . . ?
N16 Si7 C83A 110.6(19) . . ?
C84A Si7 C83A 114(4) . . ?
C84 Si7 C83A 118(4) . . ?
C83 Si7 C83A 28.1(18) . . ?
N16 Si7 C85 115.4(5) . . ?
C84A Si7 C85 114.9(15) . . ?
C84 Si7 C85 96.4(15) . . ?
C83 Si7 C85 114.0(17) . . ?
C83A Si7 C85 92.6(17) . . ?
N16 Si8 C86 109.0(5) . . ?
N16 Si8 C88 114.1(6) . . ?
C86 Si8 C88 105.5(6) . . ?
N16 Si8 C87 113.7(5) . . ?
C86 Si8 C87 106.2(6) . . ?
C88 Si8 C87 107.8(7) . . ?
N16 Si8 Dy2 40.6(3) . . ?
C86 Si8 Dy2 68.7(4) . . ?
C88 Si8 Dy2 131.2(5) . . ?
C87 Si8 Dy2 120.6(5) . . ?
C1 N1 C8 105.2(7) . . ?
C1 N1 Dy1 118.1(6) . . ?
C8 N1 Dy1 130.5(6) . . ?
C11 N2 C10 119.8(8) . . ?
C11 N2 Li1 125.2(8) . . ?
C10 N2 Li1 114.6(8) . . ?
C15 N3 C12 108.9(10) . . ?
C15 N3 C16 125.2(10) . . ?
C12 N3 C16 125.9(9) . . ?
C24 N4 C17 104.4(8) . . ?
C24 N4 Dy1 136.4(6) . . ?
C17 N4 Dy1 114.7(6) . . ?
C27 N5 C26 116.1(9) . . ?
C27 N5 Li1 139.6(9) . . ?
C26 N5 Li1 104.3(8) . . ?
C31 N6 C28 106.5(10) . . ?
C31 N6 C32 127.3(10) . . ?
C28 N6 C32 126.2(10) . . ?
Si2 N7 Si1 121.7(4) . . ?
Si2 N7 Dy1 113.1(4) . . ?
Si1 N7 Dy1 125.0(3) . . ?
Si4 N8 Si3 122.2(4) . . ?
Si4 N8 Dy1 109.4(4) . . ?
Si3 N8 Dy1 128.4(4) . . ?
C52 N9 C45 102.3(9) . . ?
C52 N9 Dy2 141.8(8) . . ?
C45 N9 Dy2 115.3(7) . . ?
C55 N10 C54 113.7(12) . . ?
C55 N10 Li2 139.3(13) . . ?
C54 N10 Li2 106.1(11) . . ?
C56 N11 C59 106.9(15) . . ?
C56 N11 C60 123.6(15) . . ?
C59 N11 C60 129.5(15) . . ?
C61 N12 C68 103.4(9) . . ?
C61 N12 Dy2 116.3(7) . . ?
C68 N12 Dy2 129.8(7) . . ?
C71 N13 C70 119.7(11) . . ?
C71 N13 Li2 124.8(11) . . ?
C70 N13 Li2 115.4(10) . . ?
C75 N14 C72 108.8(16) . . ?
C75 N14 C76 124.8(17) . . ?
C72 N14 C76 126.3(14) . . ?
Si6 N15 Si5 121.9(5) . . ?
Si6 N15 Dy2 114.6(4) . . ?
Si5 N15 Dy2 123.3(5) . . ?
Si7 N16 Si8 122.1(5) . . ?
Si7 N16 Dy2 128.3(4) . . ?
Si8 N16 Dy2 109.6(4) . . ?
N1 C1 C2 113.4(8) . . ?
N1 C1 H1A 123.3 . . ?
C2 C1 H1A 123.3 . . ?
C1 C2 C3 104.7(8) . . ?
C1 C2 C9 128.2(9) . . ?
C3 C2 C9 127.0(8) . . ?
C1 C2 Li1 84.9(7) . . ?
C3 C2 Li1 107.7(7) . . ?
C9 C2 Li1 82.8(6) . . ?
C2 C3 C8 108.0(8) . . ?
C2 C3 C4 134.5(10) . . ?
C8 C3 C4 117.6(10) . . ?
C5 C4 C3 118.6(11) . . ?
C5 C4 H4A 120.7 . . ?
C3 C4 H4A 120.7 . . ?
C4 C5 C6 123.5(11) . . ?
C4 C5 H5A 118.2 . . ?
C6 C5 H5A 118.2 . . ?
C5 C6 C7 119.0(11) . . ?
C5 C6 H6A 120.5 . . ?
C7 C6 H6A 120.5 . . ?
C8 C7 C6 116.5(10) . . ?
C8 C7 H7A 121.7 . . ?
C6 C7 H7A 121.7 . . ?
C7 C8 N1 126.6(9) . . ?
C7 C8 C3 124.8(9) . . ?
N1 C8 C3 108.6(9) . . ?
C2 C9 C10 113.7(7) . . ?
C2 C9 H9A 108.8 . . ?
C10 C9 H9A 108.8 . . ?
C2 C9 H9B 108.8 . . ?
C10 C9 H9B 108.8 . . ?
H9A C9 H9B 107.7 . . ?
N2 C10 C9 110.4(8) . . ?
N2 C10 H10A 109.6 . . ?
C9 C10 H10A 109.6 . . ?
N2 C10 H10B 109.6 . . ?
C9 C10 H10B 109.6 . . ?
H10A C10 H10B 108.1 . . ?
N2 C11 C12 130.5(10) . . ?
N2 C11 H11A 114.7 . . ?
C12 C11 H11A 114.7 . . ?
N3 C12 C11 120.1(9) . . ?
N3 C12 C13 105.6(9) . . ?
C11 C12 C13 134.2(10) . . ?
C14 C13 C12 107.5(11) . . ?
C14 C13 H13A 126.3 . . ?
C12 C13 H13A 126.3 . . ?
C15 C14 C13 108.3(11) . . ?
C15 C14 H14A 125.8 . . ?
C13 C14 H14A 125.8 . . ?
C14 C15 N3 109.6(11) . . ?
C14 C15 H15A 125.2 . . ?
N3 C15 H15A 125.2 . . ?
N3 C16 H16A 109.5 . . ?
N3 C16 H16B 109.5 . . ?
H16A C16 H16B 109.5 . . ?
N3 C16 H16C 109.5 . . ?
H16A C16 H16C 109.5 . . ?
H16B C16 H16C 109.5 . . ?
N4 C17 C18 113.4(9) . . ?
N4 C17 H17A 123.3 . . ?
C18 C17 H17A 123.3 . . ?
C17 C18 C19 104.6(9) . . ?
C17 C18 C25 125.1(9) . . ?
C19 C18 C25 129.9(9) . . ?
C17 C18 Li1 97.5(8) . . ?
C19 C18 Li1 84.5(7) . . ?
C25 C18 Li1 94.4(7) . . ?
C18 C19 C24 107.4(9) . . ?
C18 C19 C20 132.7(10) . . ?
C24 C19 C20 119.9(10) . . ?
C18 C19 Li1 64.9(6) . . ?
C24 C19 Li1 101.2(7) . . ?
C20 C19 Li1 103.9(7) . . ?
C21 C20 C19 116.2(10) . . ?
C21 C20 H20A 121.9 . . ?
C19 C20 H20A 121.9 . . ?
C20 C21 C22 125.4(11) . . ?
C20 C21 H21A 117.3 . . ?
C22 C21 H21A 117.3 . . ?
C23 C22 C21 117.1(11) . . ?
C23 C22 H22A 121.4 . . ?
C21 C22 H22A 121.4 . . ?
C22 C23 C24 121.0(10) . . ?
C22 C23 H23A 119.5 . . ?
C24 C23 H23A 119.5 . . ?
N4 C24 C23 129.3(9) . . ?
N4 C24 C19 110.2(9) . . ?
C23 C24 C19 120.3(10) . . ?
C18 C25 C26 113.6(8) . . ?
C18 C25 H25A 108.8 . . ?
C26 C25 H25A 108.8 . . ?
C18 C25 H25B 108.8 . . ?
C26 C25 H25B 108.8 . . ?
H25A C25 H25B 107.7 . . ?
N5 C26 C25 110.5(8) . . ?
N5 C26 Li1 45.0(5) . . ?
C25 C26 Li1 83.8(7) . . ?
N5 C26 H26A 109.5 . . ?
C25 C26 H26A 109.5 . . ?
Li1 C26 H26A 154.5 . . ?
N5 C26 H26B 109.5 . . ?
C25 C26 H26B 109.5 . . ?
Li1 C26 H26B 86.5 . . ?
H26A C26 H26B 108.1 . . ?
N5 C27 C28 126.5(10) . . ?
N5 C27 H27A 116.8 . . ?
C28 C27 H27A 116.8 . . ?
C29 C28 N6 107.5(10) . . ?
C29 C28 C27 131.2(10) . . ?
N6 C28 C27 121.1(10) . . ?
C28 C29 C30 108.8(11) . . ?
C28 C29 H29A 125.6 . . ?
C30 C29 H29A 125.6 . . ?
C31 C30 C29 104.4(11) . . ?
C31 C30 H30A 127.8 . . ?
C29 C30 H30A 127.8 . . ?
N6 C31 C30 112.8(12) . . ?
N6 C31 H31A 123.6 . . ?
C30 C31 H31A 123.6 . . ?
N6 C32 H32A 109.5 . . ?
N6 C32 H32B 109.5 . . ?
H32A C32 H32B 109.5 . . ?
N6 C32 H32C 109.5 . . ?
H32A C32 H32C 109.5 . . ?
H32B C32 H32C 109.5 . . ?
Si1 C33 H33A 109.5 . . ?
Si1 C33 H33B 109.5 . . ?
H33A C33 H33B 109.5 . . ?
Si1 C33 H33C 109.5 . . ?
H33A C33 H33C 109.5 . . ?
H33B C33 H33C 109.5 . . ?
Si1 C34 H34A 109.5 . . ?
Si1 C34 H34B 109.5 . . ?
H34A C34 H34B 109.5 . . ?
Si1 C34 H34C 109.5 . . ?
H34A C34 H34C 109.5 . . ?
H34B C34 H34C 109.5 . . ?
Si1 C35 H35A 109.5 . . ?
Si1 C35 H35B 109.5 . . ?
H35A C35 H35B 109.5 . . ?
Si1 C35 H35C 109.5 . . ?
H35A C35 H35C 109.5 . . ?
H35B C35 H35C 109.5 . . ?
Si2 C36 H36A 109.5 . . ?
Si2 C36 H36B 109.5 . . ?
H36A C36 H36B 109.5 . . ?
Si2 C36 H36C 109.5 . . ?
H36A C36 H36C 109.5 . . ?
H36B C36 H36C 109.5 . . ?
Si2 C37 H37A 109.5 . . ?
Si2 C37 H37B 109.5 . . ?
H37A C37 H37B 109.5 . . ?
Si2 C37 H37C 109.5 . . ?
H37A C37 H37C 109.5 . . ?
H37B C37 H37C 109.5 . . ?
Si2 C38 H38A 109.5 . . ?
Si2 C38 H38B 109.5 . . ?
H38A C38 H38B 109.5 . . ?
Si2 C38 H38C 109.5 . . ?
H38A C38 H38C 109.5 . . ?
H38B C38 H38C 109.5 . . ?
Si3 C39 H39A 109.5 . . ?
Si3 C39 H39B 109.5 . . ?
H39A C39 H39B 109.5 . . ?
Si3 C39 H39C 109.5 . . ?
H39A C39 H39C 109.5 . . ?
H39B C39 H39C 109.5 . . ?
Si3 C40 H40A 109.5 . . ?
Si3 C40 H40B 109.5 . . ?
H40A C40 H40B 109.5 . . ?
Si3 C40 H40C 109.5 . . ?
H40A C40 H40C 109.5 . . ?
H40B C40 H40C 109.5 . . ?
Si3 C41 H41A 109.5 . . ?
Si3 C41 H41B 109.5 . . ?
H41A C41 H41B 109.5 . . ?
Si3 C41 H41C 109.5 . . ?
H41A C41 H41C 109.5 . . ?
H41B C41 H41C 109.5 . . ?
Si4 C42 H42A 109.5 . . ?
Si4 C42 H42B 109.5 . . ?
H42A C42 H42B 109.5 . . ?
Si4 C42 H42C 109.5 . . ?
H42A C42 H42C 109.5 . . ?
H42B C42 H42C 109.5 . . ?
Si4 C43 H43A 109.5 . . ?
Si4 C43 H43B 109.5 . . ?
H43A C43 H43B 109.5 . . ?
Si4 C43 H43C 109.5 . . ?
H43A C43 H43C 109.5 . . ?
H43B C43 H43C 109.5 . . ?
Si4 C44 H44A 109.5 . . ?
Si4 C44 H44B 109.5 . . ?
H44A C44 H44B 109.5 . . ?
Si4 C44 H44C 109.5 . . ?
H44A C44 H44C 109.5 . . ?
H44B C44 H44C 109.5 . . ?
C46 C45 N9 117.3(11) . . ?
C46 C45 H45A 121.3 . . ?
N9 C45 H45A 121.3 . . ?
C45 C46 C47 100.7(11) . . ?
C45 C46 C53 130.2(12) . . ?
C47 C46 C53 129.1(11) . . ?
C45 C46 Li2 96.2(10) . . ?
C47 C46 Li2 72.5(9) . . ?
C53 C46 Li2 99.7(10) . . ?
C48 C47 C46 133.4(12) . . ?
C48 C47 C52 119.7(12) . . ?
C46 C47 C52 107.0(11) . . ?
C48 C47 Li2 100.1(10) . . ?
C46 C47 Li2 72.5(9) . . ?
C52 C47 Li2 97.7(9) . . ?
C49 C48 C47 120.1(14) . . ?
C49 C48 H48A 120.0 . . ?
C47 C48 H48A 120.0 . . ?
C48 C49 C50 120.5(13) . . ?
C48 C49 H49A 119.8 . . ?
C50 C49 H49A 119.8 . . ?
C51 C50 C49 120.5(13) . . ?
C51 C50 H50A 119.7 . . ?
C49 C50 H50A 119.7 . . ?
C52 C51 C50 119.8(13) . . ?
C52 C51 H51A 120.1 . . ?
C50 C51 H51A 120.1 . . ?
N9 C52 C51 128.1(12) . . ?
N9 C52 C47 112.6(11) . . ?
C51 C52 C47 119.2(12) . . ?
C46 C53 C54 114.3(11) . . ?
C46 C53 H53A 108.7 . . ?
C54 C53 H53A 108.7 . . ?
C46 C53 H53B 108.7 . . ?
C54 C53 H53B 108.7 . . ?
H53A C53 H53B 107.6 . . ?
N10 C54 C53 111.8(11) . . ?
N10 C54 Li2 43.4(7) . . ?
C53 C54 Li2 86.4(8) . . ?
N10 C54 H54A 109.3 . . ?
C53 C54 H54A 109.3 . . ?
Li2 C54 H54A 152.7 . . ?
N10 C54 H54B 109.3 . . ?
C53 C54 H54B 109.3 . . ?
Li2 C54 H54B 86.6 . . ?
H54A C54 H54B 107.9 . . ?
N10 C55 C56 127.7(15) . . ?
N10 C55 H55A 116.2 . . ?
C56 C55 H55A 116.2 . . ?
N11 C56 C57 104.5(14) . . ?
N11 C56 C55 127.2(16) . . ?
C57 C56 C55 127.9(15) . . ?
C56 C57 C58 112.7(16) . . ?
C56 C57 H57A 123.6 . . ?
C58 C57 H57A 123.6 . . ?
C59 C58 C57 101.4(17) . . ?
C59 C58 H58A 129.3 . . ?
C57 C58 H58A 129.3 . . ?
C58 C59 N11 114.2(17) . . ?
C58 C59 H59A 122.9 . . ?
N11 C59 H59A 122.9 . . ?
N11 C60 H60A 109.5 . . ?
N11 C60 H60B 109.5 . . ?
H60A C60 H60B 109.5 . . ?
N11 C60 H60C 109.5 . . ?
H60A C60 H60C 109.5 . . ?
H60B C60 H60C 109.5 . . ?
C62 C61 N12 114.5(11) . . ?
C62 C61 H61A 122.8 . . ?
N12 C61 H61A 122.8 . . ?
C61 C62 C63 106.4(10) . . ?
C61 C62 C69 128.7(11) . . ?
C63 C62 C69 124.8(11) . . ?
C64 C63 C62 135.5(12) . . ?
C64 C63 C68 120.7(11) . . ?
C62 C63 C68 103.7(10) . . ?
C65 C64 C63 119.8(13) . . ?
C65 C64 H64A 120.1 . . ?
C63 C64 H64A 120.1 . . ?
C64 C65 C66 122.8(14) . . ?
C64 C65 H65A 118.6 . . ?
C66 C65 H65A 118.6 . . ?
C67 C66 C65 118.3(12) . . ?
C67 C66 H66A 120.8 . . ?
C65 C66 H66A 120.8 . . ?
C68 C67 C66 121.0(13) . . ?
C68 C67 H67A 119.5 . . ?
C66 C67 H67A 119.5 . . ?
N12 C68 C67 130.6(12) . . ?
N12 C68 C63 112.1(10) . . ?
C67 C68 C63 117.4(12) . . ?
C70 C69 C62 111.8(9) . . ?
C70 C69 H69A 109.3 . . ?
C62 C69 H69A 109.3 . . ?
C70 C69 H69B 109.3 . . ?
C62 C69 H69B 109.3 . . ?
H69A C69 H69B 107.9 . . ?
N13 C70 C69 112.8(10) . . ?
N13 C70 H70A 109.0 . . ?
C69 C70 H70A 109.0 . . ?
N13 C70 H70B 109.0 . . ?
C69 C70 H70B 109.0 . . ?
H70A C70 H70B 107.8 . . ?
N13 C71 C72 130.1(14) . . ?
N13 C71 H71A 114.9 . . ?
C72 C71 H71A 114.9 . . ?
C71 C72 C73 135.7(16) . . ?
C71 C72 N14 120.0(15) . . ?
C73 C72 N14 104.3(15) . . ?
C72 C73 C74 111.1(16) . . ?
C72 C73 H73A 124.5 . . ?
C74 C73 H73A 124.5 . . ?
C75 C74 C73 103.0(17) . . ?
C75 C74 H74A 128.5 . . ?
C73 C74 H74A 128.5 . . ?
N14 C75 C74 112.7(18) . . ?
N14 C75 H75A 123.6 . . ?
C74 C75 H75A 123.6 . . ?
N14 C76 H76A 109.5 . . ?
N14 C76 H76B 109.5 . . ?
H76A C76 H76B 109.5 . . ?
N14 C76 H76C 109.5 . . ?
H76A C76 H76C 109.5 . . ?
H76B C76 H76C 109.5 . . ?
Si5 C77 H77A 109.5 . . ?
Si5 C77 H77B 109.5 . . ?
H77A C77 H77B 109.5 . . ?
Si5 C77 H77C 109.5 . . ?
H77A C77 H77C 109.5 . . ?
H77B C77 H77C 109.5 . . ?
Si5 C78 H78A 109.5 . . ?
Si5 C78 H78B 109.5 . . ?
H78A C78 H78B 109.5 . . ?
Si5 C78 H78C 109.5 . . ?
H78A C78 H78C 109.5 . . ?
H78B C78 H78C 109.5 . . ?
Si5 C79 H79A 109.5 . . ?
Si5 C79 H79B 109.5 . . ?
H79A C79 H79B 109.5 . . ?
Si5 C79 H79C 109.5 . . ?
H79A C79 H79C 109.5 . . ?
H79B C79 H79C 109.5 . . ?
Si6 C80 H80A 109.5 . . ?
Si6 C80 H80B 109.5 . . ?
H80A C80 H80B 109.5 . . ?
Si6 C80 H80C 109.5 . . ?
H80A C80 H80C 109.5 . . ?
H80B C80 H80C 109.5 . . ?
Si6 C81 H81A 109.5 . . ?
Si6 C81 H81B 109.5 . . ?
H81A C81 H81B 109.5 . . ?
Si6 C81 H81C 109.5 . . ?
H81A C81 H81C 109.5 . . ?
H81B C81 H81C 109.5 . . ?
Si6 C82 H82A 109.5 . . ?
Si6 C82 H82B 109.5 . . ?
H82A C82 H82B 109.5 . . ?
Si6 C82 H82C 109.5 . . ?
H82A C82 H82C 109.5 . . ?
H82B C82 H82C 109.5 . . ?
Si7 C83 H83A 109.5 . . ?
Si7 C83 H83B 109.5 . . ?
H83A C83 H83B 109.5 . . ?
Si7 C83 H83C 109.5 . . ?
H83A C83 H83C 109.5 . . ?
H83B C83 H83C 109.5 . . ?
Si7 C83A H83D 109.5 . . ?
Si7 C83A H83E 109.5 . . ?
H83D C83A H83E 109.5 . . ?
Si7 C83A H83F 109.5 . . ?
H83D C83A H83F 109.5 . . ?
H83E C83A H83F 109.5 . . ?
Si7 C84 H84A 109.5 . . ?
Si7 C84 H84B 109.5 . . ?
H84A C84 H84B 109.5 . . ?
Si7 C84 H84C 109.5 . . ?
H84A C84 H84C 109.5 . . ?
H84B C84 H84C 109.5 . . ?
Si7 C84A H84D 109.5 . . ?
Si7 C84A H84E 109.5 . . ?
H84D C84A H84E 109.5 . . ?
Si7 C84A H84F 109.5 . . ?
H84D C84A H84F 109.5 . . ?
H84E C84A H84F 109.5 . . ?
Si7 C85 H85A 109.5 . . ?
Si7 C85 H85B 109.5 . . ?
H85A C85 H85B 109.5 . . ?
Si7 C85 H85C 109.5 . . ?
H85A C85 H85C 109.5 . . ?
H85B C85 H85C 109.5 . . ?
Si8 C86 H86A 109.5 . . ?
Si8 C86 H86B 109.5 . . ?
H86A C86 H86B 109.5 . . ?
Si8 C86 H86C 109.5 . . ?
H86A C86 H86C 109.5 . . ?
H86B C86 H86C 109.5 . . ?
Si8 C87 H87A 109.5 . . ?
Si8 C87 H87B 109.5 . . ?
H87A C87 H87B 109.5 . . ?
Si8 C87 H87C 109.5 . . ?
H87A C87 H87C 109.5 . . ?
H87B C87 H87C 109.5 . . ?
Si8 C88 H88A 109.5 . . ?
Si8 C88 H88B 109.5 . . ?
H88A C88 H88B 109.5 . . ?
Si8 C88 H88C 109.5 . . ?
H88A C88 H88C 109.5 . . ?
H88B C88 H88C 109.5 . . ?

loop_
_geom_torsion_atom_site_label_1
_geom_torsion_atom_site_label_2
_geom_torsion_atom_site_label_3
_geom_torsion_atom_site_label_4
_geom_torsion
_geom_torsion_site_symmetry_1
_geom_torsion_site_symmetry_2
_geom_torsion_site_symmetry_3
_geom_torsion_site_symmetry_4
_geom_torsion_publ_flag
N8 Dy1 Si2 N7 -139.1(4) . . . . ?
N4 Dy1 Si2 N7 104.5(4) . . . . ?
N1 Dy1 Si2 N7 7.5(5) . . . . ?
Si4 Dy1 Si2 N7 -109.3(4) . . . . ?
N7 Dy1 Si2 C37 93.4(6) . . . . ?
N8 Dy1 Si2 C37 -45.7(5) . . . . ?
N4 Dy1 Si2 C37 -162.1(5) . . . . ?
N1 Dy1 Si2 C37 100.9(5) . . . . ?
Si4 Dy1 Si2 C37 -15.9(4) . . . . ?
N7 Dy1 Si2 C38 -166.5(6) . . . . ?
N8 Dy1 Si2 C38 54.5(5) . . . . ?
N4 Dy1 Si2 C38 -61.9(5) . . . . ?
N1 Dy1 Si2 C38 -159.0(5) . . . . ?
Si4 Dy1 Si2 C38 84.3(4) . . . . ?
N7 Dy1 Si2 C36 -69.3(7) . . . . ?
N8 Dy1 Si2 C36 151.6(6) . . . . ?
N4 Dy1 Si2 C36 35.2(6) . . . . ?
N1 Dy1 Si2 C36 -61.8(7) . . . . ?
Si4 Dy1 Si2 C36 -178.6(6) . . . . ?
N7 Dy1 Si4 N8 -128.2(4) . . . . ?
N4 Dy1 Si4 N8 18.5(5) . . . . ?
N1 Dy1 Si4 N8 111.7(4) . . . . ?
Si2 Dy1 Si4 N8 -100.3(4) . . . . ?
N7 Dy1 Si4 C42 156.8(7) . . . . ?
N8 Dy1 Si4 C42 -75.0(7) . . . . ?
N4 Dy1 Si4 C42 -56.5(7) . . . . ?
N1 Dy1 Si4 C42 36.6(7) . . . . ?
Si2 Dy1 Si4 C42 -175.4(6) . . . . ?
N7 Dy1 Si4 C44 -36.3(5) . . . . ?
N8 Dy1 Si4 C44 91.8(6) . . . . ?
N4 Dy1 Si4 C44 110.3(6) . . . . ?
N1 Dy1 Si4 C44 -156.5(5) . . . . ?
Si2 Dy1 Si4 C44 -8.5(5) . . . . ?
N7 Dy1 Si4 C43 59.6(4) . . . . ?
N8 Dy1 Si4 C43 -172.3(6) . . . . ?
N4 Dy1 Si4 C43 -153.8(5) . . . . ?
N1 Dy1 Si4 C43 -60.6(4) . . . . ?
Si2 Dy1 Si4 C43 87.4(4) . . . . ?
N16 Dy2 Si6 N15 -137.6(5) . . . . ?
N9 Dy2 Si6 N15 104.6(5) . . . . ?
N12 Dy2 Si6 N15 14.7(6) . . . . ?
Si8 Dy2 Si6 N15 -107.8(5) . . . . ?
N15 Dy2 Si6 C82 91.3(8) . . . . ?
N16 Dy2 Si6 C82 -46.3(6) . . . . ?
N9 Dy2 Si6 C82 -164.1(6) . . . . ?
N12 Dy2 Si6 C82 105.9(7) . . . . ?
Si8 Dy2 Si6 C82 -16.5(6) . . . . ?
N15 Dy2 Si6 C81 -167.8(7) . . . . ?
N16 Dy2 Si6 C81 54.6(5) . . . . ?
N9 Dy2 Si6 C81 -63.2(5) . . . . ?
N12 Dy2 Si6 C81 -153.2(6) . . . . ?
Si8 Dy2 Si6 C81 84.4(4) . . . . ?
N15 Dy2 Si6 C80 -75.8(9) . . . . ?
N16 Dy2 Si6 C80 146.6(8) . . . . ?
N9 Dy2 Si6 C80 28.8(8) . . . . ?
N12 Dy2 Si6 C80 -61.2(9) . . . . ?
Si8 Dy2 Si6 C80 176.4(7) . . . . ?
N15 Dy2 Si8 N16 -130.0(5) . . . . ?
N9 Dy2 Si8 N16 7.1(6) . . . . ?
N12 Dy2 Si8 N16 107.8(5) . . . . ?
Si6 Dy2 Si8 N16 -102.6(4) . . . . ?
N15 Dy2 Si8 C86 58.3(5) . . . . ?
N16 Dy2 Si8 C86 -171.7(7) . . . . ?
N9 Dy2 Si8 C86 -164.5(6) . . . . ?
N12 Dy2 Si8 C86 -63.8(5) . . . . ?
Si6 Dy2 Si8 C86 85.7(5) . . . . ?
N15 Dy2 Si8 C88 150.7(6) . . . . ?
N16 Dy2 Si8 C88 -79.3(7) . . . . ?
N9 Dy2 Si8 C88 -72.2(7) . . . . ?
N12 Dy2 Si8 C88 28.6(6) . . . . ?
Si6 Dy2 Si8 C88 178.1(6) . . . . ?
N15 Dy2 Si8 C87 -38.4(6) . . . . ?
N16 Dy2 Si8 C87 91.6(7) . . . . ?
N9 Dy2 Si8 C87 98.7(6) . . . . ?
N12 Dy2 Si8 C87 -160.6(5) . . . . ?
Si6 Dy2 Si8 C87 -11.0(5) . . . . ?
N7 Dy1 N1 C1 43.1(7) . . . . ?
N8 Dy1 N1 C1 -175.4(6) . . . . ?
N4 Dy1 N1 C1 -62.9(6) . . . . ?
Si4 Dy1 N1 C1 155.7(6) . . . . ?
Si2 Dy1 N1 C1 39.2(8) . . . . ?
N7 Dy1 N1 C8 -168.9(7) . . . . ?
N8 Dy1 N1 C8 -27.4(8) . . . . ?
N4 Dy1 N1 C8 85.1(8) . . . . ?
Si4 Dy1 N1 C8 -56.3(8) . . . . ?
Si2 Dy1 N1 C8 -172.8(6) . . . . ?
N5 Li1 N2 C11 -114.3(12) . . . . ?
C18 Li1 N2 C11 26(2) . . . . ?
C2 Li1 N2 C11 147.2(8) . . . . ?
C19 Li1 N2 C11 16.6(13) . . . . ?
C26 Li1 N2 C11 -121(2) . . . . ?
N5 Li1 N2 C10 72.9(14) . . . . ?
C18 Li1 N2 C10 -146.9(14) . . . . ?
C2 Li1 N2 C10 -25.5(7) . . . . ?
C19 Li1 N2 C10 -156.1(7) . . . . ?
C26 Li1 N2 C10 66(3) . . . . ?
N7 Dy1 N4 C24 -11.6(9) . . . . ?
N8 Dy1 N4 C24 -148.3(9) . . . . ?
N1 Dy1 N4 C24 104.0(9) . . . . ?
Si4 Dy1 N4 C24 -158.1(7) . . . . ?
Si2 Dy1 N4 C24 -40.2(9) . . . . ?
N7 Dy1 N4 C17 -163.3(7) . . . . ?
N8 Dy1 N4 C17 59.9(7) . . . . ?
N1 Dy1 N4 C17 -47.7(7) . . . . ?
Si4 Dy1 N4 C17 50.2(8) . . . . ?
Si2 Dy1 N4 C17 168.1(6) . . . . ?
N2 Li1 N5 C27 2(2) . . . . ?
C18 Li1 N5 C27 -155.1(11) . . . . ?
C2 Li1 N5 C27 86.3(14) . . . . ?
C19 Li1 N5 C27 -132.1(11) . . . . ?
C26 Li1 N5 C27 176.8(16) . . . . ?
N2 Li1 N5 C26 -175.1(11) . . . . ?
C18 Li1 N5 C26 28.1(8) . . . . ?
C2 Li1 N5 C26 -90.5(8) . . . . ?
C19 Li1 N5 C26 51.1(9) . . . . ?
C37 Si2 N7 Si1 81.9(6) . . . . ?
C38 Si2 N7 Si1 -161.1(6) . . . . ?
C36 Si2 N7 Si1 -40.5(7) . . . . ?
Dy1 Si2 N7 Si1 -174.6(7) . . . . ?
C37 Si2 N7 Dy1 -103.4(5) . . . . ?
C38 Si2 N7 Dy1 13.5(6) . . . . ?
C36 Si2 N7 Dy1 134.1(5) . . . . ?
C34 Si1 N7 Si2 93.1(6) . . . . ?
C35 Si1 N7 Si2 -146.3(5) . . . . ?
C33 Si1 N7 Si2 -28.1(7) . . . . ?
C34 Si1 N7 Dy1 -80.9(6) . . . . ?
C35 Si1 N7 Dy1 39.7(6) . . . . ?
C33 Si1 N7 Dy1 158.0(5) . . . . ?
N8 Dy1 N7 Si2 49.3(5) . . . . ?
N4 Dy1 N7 Si2 -82.4(4) . . . . ?
N1 Dy1 N7 Si2 -175.1(3) . . . . ?
Si4 Dy1 N7 Si2 76.7(4) . . . . ?
N8 Dy1 N7 Si1 -136.3(4) . . . . ?
N4 Dy1 N7 Si1 92.0(5) . . . . ?
N1 Dy1 N7 Si1 -0.7(5) . . . . ?
Si4 Dy1 N7 Si1 -108.9(4) . . . . ?
Si2 Dy1 N7 Si1 174.4(8) . . . . ?
C42 Si4 N8 Si3 -47.7(8) . . . . ?
C44 Si4 N8 Si3 73.1(7) . . . . ?
C43 Si4 N8 Si3 -169.4(5) . . . . ?
Dy1 Si4 N8 Si3 -176.9(8) . . . . ?
C42 Si4 N8 Dy1 129.2(6) . . . . ?
C44 Si4 N8 Dy1 -110.0(6) . . . . ?
C43 Si4 N8 Dy1 7.5(6) . . . . ?
C40 Si3 N8 Si4 -164.4(6) . . . . ?
C41 Si3 N8 Si4 -46.5(8) . . . . ?
C39 Si3 N8 Si4 75.5(7) . . . . ?
C40 Si3 N8 Dy1 19.4(8) . . . . ?
C41 Si3 N8 Dy1 137.3(6) . . . . ?
C39 Si3 N8 Dy1 -100.8(6) . . . . ?
N7 Dy1 N8 Si4 63.4(5) . . . . ?
N4 Dy1 N8 Si4 -167.6(3) . . . . ?
N1 Dy1 N8 Si4 -75.2(4) . . . . ?
Si2 Dy1 N8 Si4 84.9(4) . . . . ?
N7 Dy1 N8 Si3 -120.0(5) . . . . ?
N4 Dy1 N8 Si3 9.0(6) . . . . ?
N1 Dy1 N8 Si3 101.5(5) . . . . ?
Si4 Dy1 N8 Si3 176.7(8) . . . . ?
Si2 Dy1 N8 Si3 -98.4(5) . . . . ?
N15 Dy2 N9 C52 -6.4(12) . . . . ?
N16 Dy2 N9 C52 -140.3(12) . . . . ?
N12 Dy2 N9 C52 110.1(12) . . . . ?
Si8 Dy2 N9 C52 -144.2(10) . . . . ?
Si6 Dy2 N9 C52 -33.9(12) . . . . ?
N15 Dy2 N9 C45 -175.4(7) . . . . ?
N16 Dy2 N9 C45 50.7(8) . . . . ?
N12 Dy2 N9 C45 -58.9(7) . . . . ?
Si8 Dy2 N9 C45 46.8(9) . . . . ?
Si6 Dy2 N9 C45 157.2(7) . . . . ?
N13 Li2 N10 C55 31(3) . . . . ?
C46 Li2 N10 C55 -133.9(17) . . . . ?
C47 Li2 N10 C55 -103.5(18) . . . . ?
C54 Li2 N10 C55 -168(2) . . . . ?
N13 Li2 N10 C54 -160.6(14) . . . . ?
C46 Li2 N10 C54 34.2(10) . . . . ?
C47 Li2 N10 C54 64.7(12) . . . . ?
N15 Dy2 N12 C61 49.1(9) . . . . ?
N16 Dy2 N12 C61 -167.3(8) . . . . ?
N9 Dy2 N12 C61 -51.4(8) . . . . ?
Si8 Dy2 N12 C61 162.5(7) . . . . ?
Si6 Dy2 N12 C61 41.5(10) . . . . ?
N15 Dy2 N12 C68 -172.4(9) . . . . ?
N16 Dy2 N12 C68 -28.9(10) . . . . ?
N9 Dy2 N12 C68 87.0(9) . . . . ?
Si8 Dy2 N12 C68 -59.0(9) . . . . ?
Si6 Dy2 N12 C68 179.9(7) . . . . ?
N10 Li2 N13 C71 -98.1(18) . . . . ?
C46 Li2 N13 C71 53(3) . . . . ?
C47 Li2 N13 C71 29.3(18) . . . . ?
C54 Li2 N13 C71 -122(3) . . . . ?
N10 Li2 N13 C70 78.8(18) . . . . ?
C46 Li2 N13 C70 -130(2) . . . . ?
C47 Li2 N13 C70 -153.7(10) . . . . ?
C54 Li2 N13 C70 55(3) . . . . ?
C82 Si6 N15 Si5 79.0(8) . . . . ?
C81 Si6 N15 Si5 -163.4(6) . . . . ?
C80 Si6 N15 Si5 -46.4(9) . . . . ?
Dy2 Si6 N15 Si5 -175.5(9) . . . . ?
C82 Si6 N15 Dy2 -105.5(7) . . . . ?
C81 Si6 N15 Dy2 12.1(7) . . . . ?
C80 Si6 N15 Dy2 129.1(6) . . . . ?
C77 Si5 N15 Si6 -153.4(7) . . . . ?
C78 Si5 N15 Si6 -31.1(10) . . . . ?
C79 Si5 N15 Si6 85.8(8) . . . . ?
C77 Si5 N15 Dy2 31.5(8) . . . . ?
C78 Si5 N15 Dy2 153.8(7) . . . . ?
C79 Si5 N15 Dy2 -89.3(8) . . . . ?
N16 Dy2 N15 Si6 50.8(6) . . . . ?
N9 Dy2 N15 Si6 -79.4(5) . . . . ?
N12 Dy2 N15 Si6 -170.4(4) . . . . ?
Si8 Dy2 N15 Si6 77.4(5) . . . . ?
N16 Dy2 N15 Si5 -133.7(5) . . . . ?
N9 Dy2 N15 Si5 96.0(6) . . . . ?
N12 Dy2 N15 Si5 5.0(7) . . . . ?
Si8 Dy2 N15 Si5 -107.1(5) . . . . ?
Si6 Dy2 N15 Si5 175.4(10) . . . . ?
C84A Si7 N16 Si8 90(3) . . . . ?
C84 Si7 N16 Si8 73(3) . . . . ?
C83 Si7 N16 Si8 -174.8(13) . . . . ?
C83A Si7 N16 Si8 -144.5(13) . . . . ?
C85 Si7 N16 Si8 -41.1(9) . . . . ?
C84A Si7 N16 Dy2 -87(3) . . . . ?
C84 Si7 N16 Dy2 -103(3) . . . . ?
C83 Si7 N16 Dy2 8.4(14) . . . . ?
C83A Si7 N16 Dy2 38.7(14) . . . . ?
C85 Si7 N16 Dy2 142.1(7) . . . . ?
C86 Si8 N16 Si7 -169.1(6) . . . . ?
C88 Si8 N16 Si7 -51.5(8) . . . . ?
C87 Si8 N16 Si7 72.7(8) . . . . ?
Dy2 Si8 N16 Si7 -177.3(8) . . . . ?
C86 Si8 N16 Dy2 8.2(6) . . . . ?
C88 Si8 N16 Dy2 125.9(6) . . . . ?
C87 Si8 N16 Dy2 -110.0(6) . . . . ?
N15 Dy2 N16 Si7 -122.2(6) . . . . ?
N9 Dy2 N16 Si7 1.6(7) . . . . ?
N12 Dy2 N16 Si7 96.5(6) . . . . ?
Si8 Dy2 N16 Si7 177.1(9) . . . . ?
Si6 Dy2 N16 Si7 -100.4(5) . . . . ?
N15 Dy2 N16 Si8 60.7(5) . . . . ?
N9 Dy2 N16 Si8 -175.5(4) . . . . ?
N12 Dy2 N16 Si8 -80.6(5) . . . . ?
Si6 Dy2 N16 Si8 82.5(4) . . . . ?
C8 N1 C1 C2 2.9(11) . . . . ?
Dy1 N1 C1 C2 158.3(6) . . . . ?
N1 C1 C2 C3 -0.8(11) . . . . ?
N1 C1 C2 C9 175.5(9) . . . . ?
N1 C1 C2 Li1 -107.8(8) . . . . ?
N5 Li1 C2 C1 150.7(9) . . . . ?
N2 Li1 C2 C1 -84.0(7) . . . . ?
C18 Li1 C2 C1 59.3(10) . . . . ?
C19 Li1 C2 C1 24.8(11) . . . . ?
C26 Li1 C2 C1 119.1(8) . . . . ?
N5 Li1 C2 C3 46.9(10) . . . . ?
N2 Li1 C2 C3 172.2(7) . . . . ?
C18 Li1 C2 C3 -44.5(10) . . . . ?
C19 Li1 C2 C3 -79.0(11) . . . . ?
C26 Li1 C2 C3 15.3(9) . . . . ?
N5 Li1 C2 C9 -79.7(8) . . . . ?
N2 Li1 C2 C9 45.6(6) . . . . ?
C18 Li1 C2 C9 -171.2(9) . . . . ?
C19 Li1 C2 C9 154.3(10) . . . . ?
C26 Li1 C2 C9 -111.3(7) . . . . ?
C1 C2 C3 C8 -1.7(11) . . . . ?
C9 C2 C3 C8 -178.0(9) . . . . ?
Li1 C2 C3 C8 87.6(9) . . . . ?
C1 C2 C3 C4 179.7(11) . . . . ?
C9 C2 C3 C4 3.4(18) . . . . ?
Li1 C2 C3 C4 -90.9(13) . . . . ?
C2 C3 C4 C5 177.3(11) . . . . ?
C8 C3 C4 C5 -1.1(15) . . . . ?
C3 C4 C5 C6 2.1(18) . . . . ?
C4 C5 C6 C7 -2.3(19) . . . . ?
C5 C6 C7 C8 1.5(16) . . . . ?
C6 C7 C8 N1 177.1(9) . . . . ?
C6 C7 C8 C3 -0.7(16) . . . . ?
C1 N1 C8 C7 178.0(10) . . . . ?
Dy1 N1 C8 C7 27.0(14) . . . . ?
C1 N1 C8 C3 -3.9(10) . . . . ?
Dy1 N1 C8 C3 -154.9(6) . . . . ?
C2 C3 C8 C7 -178.3(10) . . . . ?
C4 C3 C8 C7 0.5(15) . . . . ?
C2 C3 C8 N1 3.6(11) . . . . ?
C4 C3 C8 N1 -177.6(8) . . . . ?
C1 C2 C9 C10 14.2(14) . . . . ?
C3 C2 C9 C10 -170.3(9) . . . . ?
Li1 C2 C9 C10 -63.5(8) . . . . ?
C11 N2 C10 C9 -174.6(8) . . . . ?
Li1 N2 C10 C9 -1.4(11) . . . . ?
C2 C9 C10 N2 57.5(10) . . . . ?
C10 N2 C11 C12 -1.2(15) . . . . ?
Li1 N2 C11 C12 -173.6(10) . . . . ?
C15 N3 C12 C11 177.6(9) . . . . ?
C16 N3 C12 C11 -1.3(15) . . . . ?
C15 N3 C12 C13 -2.2(11) . . . . ?
C16 N3 C12 C13 178.9(9) . . . . ?
N2 C11 C12 N3 174.3(9) . . . . ?
N2 C11 C12 C13 -6.0(19) . . . . ?
N3 C12 C13 C14 0.4(12) . . . . ?
C11 C12 C13 C14 -179.4(11) . . . . ?
C12 C13 C14 C15 1.6(14) . . . . ?
C13 C14 C15 N3 -3.0(14) . . . . ?
C12 N3 C15 C14 3.3(13) . . . . ?
C16 N3 C15 C14 -177.8(10) . . . . ?
C24 N4 C17 C18 -1.9(11) . . . . ?
Dy1 N4 C17 C18 158.4(6) . . . . ?
N4 C17 C18 C19 2.4(11) . . . . ?
N4 C17 C18 C25 175.4(8) . . . . ?
N4 C17 C18 Li1 -83.8(9) . . . . ?
N5 Li1 C18 C17 -123.9(8) . . . . ?
N2 Li1 C18 C17 87.1(16) . . . . ?
C2 Li1 C18 C17 -20.5(10) . . . . ?
C19 Li1 C18 C17 104.0(9) . . . . ?
C26 Li1 C18 C17 -107.3(7) . . . . ?
N5 Li1 C18 C19 132.1(8) . . . . ?
N2 Li1 C18 C19 -16.9(16) . . . . ?
C2 Li1 C18 C19 -124.5(9) . . . . ?
C26 Li1 C18 C19 148.7(7) . . . . ?
N5 Li1 C18 C25 2.4(8) . . . . ?
N2 Li1 C18 C25 -146.7(15) . . . . ?
C2 Li1 C18 C25 105.7(9) . . . . ?
C19 Li1 C18 C25 -129.7(9) . . . . ?
C26 Li1 C18 C25 18.9(6) . . . . ?
C17 C18 C19 C24 -1.8(10) . . . . ?
C25 C18 C19 C24 -174.4(9) . . . . ?
Li1 C18 C19 C24 94.5(8) . . . . ?
C17 C18 C19 C20 177.8(10) . . . . ?
C25 C18 C19 C20 5.2(18) . . . . ?
Li1 C18 C19 C20 -85.9(11) . . . . ?
C17 C18 C19 Li1 -96.3(8) . . . . ?
C25 C18 C19 Li1 91.1(11) . . . . ?
N5 Li1 C19 C18 -49.7(8) . . . . ?
N2 Li1 C19 C18 168.9(11) . . . . ?
C2 Li1 C19 C18 76.1(11) . . . . ?
C26 Li1 C19 C18 -26.2(6) . . . . ?
N5 Li1 C19 C24 -153.9(9) . . . . ?
N2 Li1 C19 C24 64.7(11) . . . . ?
C18 Li1 C19 C24 -104.1(9) . . . . ?
C2 Li1 C19 C24 -28.1(13) . . . . ?
C26 Li1 C19 C24 -130.3(7) . . . . ?
N5 Li1 C19 C20 81.2(10) . . . . ?
N2 Li1 C19 C20 -60.2(11) . . . . ?
C18 Li1 C19 C20 130.9(10) . . . . ?
C2 Li1 C19 C20 -153.0(10) . . . . ?
C26 Li1 C19 C20 104.8(8) . . . . ?
C18 C19 C20 C21 -177.6(10) . . . . ?
C24 C19 C20 C21 2.0(14) . . . . ?
Li1 C19 C20 C21 113.9(10) . . . . ?
C19 C20 C21 C22 -0.6(17) . . . . ?
C20 C21 C22 C23 0.8(18) . . . . ?
C21 C22 C23 C24 -2.3(15) . . . . ?
C17 N4 C24 C23 -174.2(10) . . . . ?
Dy1 N4 C24 C23 32.2(16) . . . . ?
C17 N4 C24 C19 0.6(10) . . . . ?
Dy1 N4 C24 C19 -153.0(7) . . . . ?
C22 C23 C24 N4 178.1(10) . . . . ?
C22 C23 C24 C19 3.8(15) . . . . ?
C18 C19 C24 N4 0.8(11) . . . . ?
C20 C19 C24 N4 -178.9(8) . . . . ?
Li1 C19 C24 N4 67.8(9) . . . . ?
C18 C19 C24 C23 176.2(8) . . . . ?
C20 C19 C24 C23 -3.5(14) . . . . ?
Li1 C19 C24 C23 -116.9(9) . . . . ?
C17 C18 C25 C26 69.5(13) . . . . ?
C19 C18 C25 C26 -119.3(11) . . . . ?
Li1 C18 C25 C26 -32.8(10) . . . . ?
C27 N5 C26 C25 124.9(9) . . . . ?
Li1 N5 C26 C25 -57.4(10) . . . . ?
C27 N5 C26 Li1 -177.7(12) . . . . ?
C18 C25 C26 N5 66.1(11) . . . . ?
C18 C25 C26 Li1 29.3(9) . . . . ?
N2 Li1 C26 N5 10(2) . . . . ?
C18 Li1 C26 N5 -146.3(10) . . . . ?
C2 Li1 C26 N5 97.0(9) . . . . ?
C19 Li1 C26 N5 -130.9(9) . . . . ?
N5 Li1 C26 C25 127.5(10) . . . . ?
N2 Li1 C26 C25 138(3) . . . . ?
C18 Li1 C26 C25 -18.9(6) . . . . ?
C2 Li1 C26 C25 -135.5(7) . . . . ?
C19 Li1 C26 C25 -3.4(6) . . . . ?
C26 N5 C27 C28 -178.0(9) . . . . ?
Li1 N5 C27 C28 5.5(19) . . . . ?
C31 N6 C28 C29 -1.5(13) . . . . ?
C32 N6 C28 C29 -179.3(11) . . . . ?
C31 N6 C28 C27 -176.5(10) . . . . ?
C32 N6 C28 C27 5.7(17) . . . . ?
N5 C27 C28 C29 10.1(19) . . . . ?
N5 C27 C28 N6 -176.2(10) . . . . ?
N6 C28 C29 C30 2.2(12) . . . . ?
C27 C28 C29 C30 176.6(10) . . . . ?
C28 C29 C30 C31 -2.2(13) . . . . ?
C28 N6 C31 C30 0.1(15) . . . . ?
C32 N6 C31 C30 177.9(12) . . . . ?
C29 C30 C31 N6 1.2(15) . . . . ?
C52 N9 C45 C46 -3.5(14) . . . . ?
Dy2 N9 C45 C46 169.6(9) . . . . ?
N9 C45 C46 C47 2.3(14) . . . . ?
N9 C45 C46 C53 -179.4(12) . . . . ?
N9 C45 C46 Li2 -71.0(12) . . . . ?
N10 Li2 C46 C45 -141.9(11) . . . . ?
N13 Li2 C46 C45 60(3) . . . . ?
C47 Li2 C46 C45 99.3(11) . . . . ?
C54 Li2 C46 C45 -121.9(10) . . . . ?
N10 Li2 C46 C47 118.8(10) . . . . ?
N13 Li2 C46 C47 -39(2) . . . . ?
C54 Li2 C46 C47 138.8(9) . . . . ?
N10 Li2 C46 C53 -9.3(11) . . . . ?
N13 Li2 C46 C53 -167(2) . . . . ?
C47 Li2 C46 C53 -128.0(12) . . . . ?
C54 Li2 C46 C53 10.8(8) . . . . ?
C45 C46 C47 C48 179.3(13) . . . . ?
C53 C46 C47 C48 1(2) . . . . ?
Li2 C46 C47 C48 -87.5(15) . . . . ?
C45 C46 C47 C52 -0.3(12) . . . . ?
C53 C46 C47 C52 -178.6(12) . . . . ?
Li2 C46 C47 C52 93.0(10) . . . . ?
C45 C46 C47 Li2 -93.2(11) . . . . ?
C53 C46 C47 Li2 88.4(14) . . . . ?
N10 Li2 C47 C48 71.7(13) . . . . ?
N13 Li2 C47 C48 -69.4(14) . . . . ?
C46 Li2 C47 C48 132.5(13) . . . . ?
C54 Li2 C47 C48 99.1(10) . . . . ?
N10 Li2 C47 C46 -60.8(11) . . . . ?
N13 Li2 C47 C46 158.1(14) . . . . ?
C54 Li2 C47 C46 -33.4(8) . . . . ?
N10 Li2 C47 C52 -166.2(11) . . . . ?
N13 Li2 C47 C52 52.7(14) . . . . ?
C46 Li2 C47 C52 -105.4(11) . . . . ?
C54 Li2 C47 C52 -138.8(9) . . . . ?
C46 C47 C48 C49 177.6(13) . . . . ?
C52 C47 C48 C49 -2.8(18) . . . . ?
Li2 C47 C48 C49 102.2(13) . . . . ?
C47 C48 C49 C50 4.9(19) . . . . ?
C48 C49 C50 C51 -4.5(19) . . . . ?
C49 C50 C51 C52 1.9(18) . . . . ?
C45 N9 C52 C51 -179.1(12) . . . . ?
Dy2 N9 C52 C51 11(2) . . . . ?
C45 N9 C52 C47 3.0(12) . . . . ?
Dy2 N9 C52 C47 -166.8(8) . . . . ?
C50 C51 C52 N9 -177.7(11) . . . . ?
C50 C51 C52 C47 0.0(17) . . . . ?
C48 C47 C52 N9 178.4(10) . . . . ?
C46 C47 C52 N9 -1.9(13) . . . . ?
Li2 C47 C52 N9 72.1(11) . . . . ?
C48 C47 C52 C51 0.4(17) . . . . ?
C46 C47 C52 C51 180.0(10) . . . . ?
Li2 C47 C52 C51 -106.0(12) . . . . ?
C45 C46 C53 C54 88.0(17) . . . . ?
C47 C46 C53 C54 -94.1(16) . . . . ?
Li2 C46 C53 C54 -18.8(14) . . . . ?
C55 N10 C54 C53 113.1(13) . . . . ?
Li2 N10 C54 C53 -58.6(14) . . . . ?
C55 N10 C54 Li2 171.6(16) . . . . ?
C46 C53 C54 N10 52.2(15) . . . . ?
C46 C53 C54 Li2 16.2(12) . . . . ?
N13 Li2 C54 N10 39(3) . . . . ?
C46 Li2 C54 N10 -138.1(13) . . . . ?
C47 Li2 C54 N10 -115.9(12) . . . . ?
N10 Li2 C54 C53 127.5(13) . . . . ?
N13 Li2 C54 C53 166(3) . . . . ?
C46 Li2 C54 C53 -10.7(8) . . . . ?
C47 Li2 C54 C53 11.6(9) . . . . ?
C54 N10 C55 C56 -173.2(14) . . . . ?
Li2 N10 C55 C56 -6(3) . . . . ?
C59 N11 C56 C57 -3.9(18) . . . . ?
C60 N11 C56 C57 179.4(15) . . . . ?
C59 N11 C56 C55 -177.0(15) . . . . ?
C60 N11 C56 C55 6(3) . . . . ?
N10 C55 C56 N11 -171.4(16) . . . . ?
N10 C55 C56 C57 17(3) . . . . ?
N11 C56 C57 C58 5.9(19) . . . . ?
C55 C56 C57 C58 179.0(15) . . . . ?
C56 C57 C58 C59 -5(2) . . . . ?
C57 C58 C59 N11 3(2) . . . . ?
C56 N11 C59 C58 1(2) . . . . ?
C60 N11 C59 C58 177.1(17) . . . . ?
C68 N12 C61 C62 -1.4(13) . . . . ?
Dy2 N12 C61 C62 147.0(9) . . . . ?
N12 C61 C62 C63 0.8(15) . . . . ?
N12 C61 C62 C69 176.9(11) . . . . ?
C61 C62 C63 C64 -177.4(13) . . . . ?
C69 C62 C63 C64 6(2) . . . . ?
C61 C62 C63 C68 0.2(13) . . . . ?
C69 C62 C63 C68 -176.2(11) . . . . ?
C62 C63 C64 C65 178.2(13) . . . . ?
C68 C63 C64 C65 1.0(18) . . . . ?
C63 C64 C65 C66 0(2) . . . . ?
C64 C65 C66 C67 -1(2) . . . . ?
C65 C66 C67 C68 0.3(18) . . . . ?
C61 N12 C68 C67 179.7(12) . . . . ?
Dy2 N12 C68 C67 37.4(17) . . . . ?
C61 N12 C68 C63 1.5(12) . . . . ?
Dy2 N12 C68 C63 -140.8(8) . . . . ?
C66 C67 C68 N12 -177.3(11) . . . . ?
C66 C67 C68 C63 0.9(17) . . . . ?
C64 C63 C68 N12 176.9(10) . . . . ?
C62 C63 C68 N12 -1.1(13) . . . . ?
C64 C63 C68 C67 -1.5(16) . . . . ?
C62 C63 C68 C67 -179.5(10) . . . . ?
C61 C62 C69 C70 9.3(18) . . . . ?
C63 C62 C69 C70 -175.3(11) . . . . ?
C71 N13 C70 C69 -179.8(10) . . . . ?
Li2 N13 C70 C69 3.1(14) . . . . ?
C62 C69 C70 N13 65.0(13) . . . . ?
C70 N13 C71 C72 2(2) . . . . ?
Li2 N13 C71 C72 178.7(14) . . . . ?
N13 C71 C72 C73 3(3) . . . . ?
N13 C71 C72 N14 -178.4(14) . . . . ?
C75 N14 C72 C71 -178.9(14) . . . . ?
C76 N14 C72 C71 -1(2) . . . . ?
C75 N14 C72 C73 -0.3(18) . . . . ?
C76 N14 C72 C73 177.3(15) . . . . ?
C71 C72 C73 C74 176.4(18) . . . . ?
N14 C72 C73 C74 -2.0(18) . . . . ?
C72 C73 C74 C75 3(2) . . . . ?
C72 N14 C75 C74 2(2) . . . . ?
C76 N14 C75 C74 -175.2(16) . . . . ?
C73 C74 C75 N14 -4(2) . . . . ?

_diffrn_measured_fraction_theta_max 0.960
_diffrn_reflns_theta_full        25.00
_diffrn_measured_fraction_theta_full 0.960
_refine_diff_density_max         0.862
_refine_diff_density_min         -0.813
_refine_diff_density_rms         0.089

# SQUEEZE RESULTS (APPEND TO CIF) 
# Note: Data are Listed for all Voids in the P1 Unit Cell 
# i.e. Centre of Gravity, Solvent Accessible Volume, 
# Recovered number of Electrons in the Void and 
# Details about the Squeezed Material 
loop_
_platon_squeeze_void_nr
_platon_squeeze_void_average_x
_platon_squeeze_void_average_y
_platon_squeeze_void_average_z
_platon_squeeze_void_volume
_platon_squeeze_void_count_electrons
_platon_squeeze_void_content
1 0.000 0.000 0.500 139 37 ' '
2 0.109 0.888 0.626 10 2 ' '
3 0.111 0.393 0.276 7 1 ' '
4 0.500 0.500 1.000 139 38 ' '
5 0.391 0.388 0.874 10 2 ' '
6 0.389 0.893 0.224 7 1 ' '
7 0.609 0.612 0.126 10 2 ' '
8 0.611 0.107 0.776 7 1 ' '
9 0.891 0.112 0.374 10 2 ' '
10 0.889 0.607 0.724 7 1 ' '
_platon_squeeze_details          
; 
;
_database_code_depnum_ccdc_archive 'CCDC 959910'