# Electronic Supplementary Material (ESI) for Chemical Science.
# This journal is © The Royal Society of Chemistry 2015

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

data_[Dy(BIPMtms)(Bn)(THF)]
_database_code_depnum_ccdc_archive 'CCDC 1054027'
_audit_update_record             
;
2015-03-13 deposited with the CCDC.
2015-11-23 downloaded from the CCDC.
;
_nottingham_internal_coll_name   DYMGLB
_nottingham_internal_coll_number 13153
_nottingham_internal_coll_client MG/STL
_nottingham_internal_coll_type   custom
_nottingham_internal_coll_frame_method 'omega scans'
_nottingham_internal_coll_frame_time '1.0000, 4.0000'
_nottingham_internal_coll_frame_width 1.0000
_nottingham_internal_coll_user   pcxmjg
_nottingham_internal_coll_date   16/01/2014
_nottingham_internal_coll_location NOTTS
_nottingham_internal_NCS_number  ?
_nottingham_internal_process_date 17/01/2014
_nottingham_internal_process_user pcxmjg
_nottingham_internal_solution_date 17/01/2014
_nottingham_internal_solution_user pcxmjg
_nottingham_internal_refinement_date 16/01/2015
_nottingham_internal_refinement_user pcxmjg
_nottingham_internal_self_archive_date 16/01/2015
_nottingham_internal_self_validation_date 16/01/2015
_nottingham_internal_self_validation_user pcxmjg
_nottingham_internal_validation_date 19/1/2015
_nottingham_internal_validation_user pczwl
_nottingham_internal_archive_date 19/1/2015

_refine_special_details          
;
The THF molecule is disordered over the crystallographic mirror plane. 
Chemically equivalent 1,2- and 1,3-distances of the partially occupied 
atoms were restrained to be approximately equal.
;
_audit_creation_date             2015-01-16
_audit_creation_method           
;
Olex2 1.2
(compiled 2014.09.19 svn.r3010 for OlexSys, GUI svn.r4874)
;
_chemical_name_common            ?
_chemical_name_systematic        ?
_chemical_formula_moiety         'C42 H53 Dy N2 O P2 Si2'
_chemical_formula_sum            'C42 H53 Dy N2 O P2 Si2'
_chemical_formula_weight         882.48
_chemical_melting_point          ?
_chemical_oxdiff_formula         'C42 H53 Dy1 N2 O1 P2 Si2'
_chemical_oxdiff_usercomment     
'DYMGLB #13153 IN FOMBLIN FILM ON MICROMOUNT FOR MG/STL'
loop_
_atom_type_symbol
_atom_type_description
_atom_type_scat_dispersion_real
_atom_type_scat_dispersion_imag
_atom_type_scat_source
C C 0.0181 0.0091 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
H H 0.0000 0.0000 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
N N 0.0311 0.0180 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
O O 0.0492 0.0322 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Si Si 0.2541 0.3302 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
P P 0.2955 0.4335 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Dy Dy -9.8046 9.8477 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'

_shelx_space_group_comment       
;
The symmetry employed for this shelxl refinement is uniquely defined
by the following loop, which should always be used as a source of
symmetry information in preference to the above space-group names.
They are only intended as comments.
;
_space_group_crystal_system      monoclinic
_space_group_IT_number           11
_space_group_name_H-M_alt        'P 1 21/m 1'
_space_group_name_Hall           '-P 2yb'
loop_
_space_group_symop_operation_xyz
'x, y, z'
'-x, y+1/2, -z'
'-x, -y, -z'
'x, -y-1/2, z'

_cell_length_a                   10.47242(8)
_cell_length_b                   19.20658(14)
_cell_length_c                   10.61743(9)
_cell_angle_alpha                90
_cell_angle_beta                 94.0778(7)
_cell_angle_gamma                90
_cell_volume                     2130.18(3)
_cell_formula_units_Z            2
_cell_measurement_reflns_used    11641
_cell_measurement_temperature    120(2)
_cell_measurement_theta_max      74.4780
_cell_measurement_theta_min      4.1550
_shelx_estimated_absorpt_T_max   ?
_shelx_estimated_absorpt_T_min   ?
_exptl_absorpt_coefficient_mu    10.878
_exptl_absorpt_correction_T_max  0.682
_exptl_absorpt_correction_T_min  0.405
_exptl_absorpt_correction_type   gaussian
_exptl_absorpt_process_details   
;
CrysAlisPro, Agilent Technologies,
Version 1.171.36.28a (release 18-03-2013 CrysAlis171 .NET)
(compiled Mar 18 2013,11:47:30)
Numerical absorption correction based on gaussian integration over
			a multifaceted crystal model
;
_exptl_absorpt_special_details   ?
_exptl_crystal_colour            'clear yellow'
_exptl_crystal_colour_lustre     clear
_exptl_crystal_colour_modifier   .
_exptl_crystal_colour_primary    yellow
_exptl_crystal_density_diffrn    1.376
_exptl_crystal_density_meas      ?
_exptl_crystal_density_method    ?
_exptl_crystal_description       block
_exptl_crystal_F_000             902
_exptl_crystal_size_max          0.2701
_exptl_crystal_size_mid          0.1672
_exptl_crystal_size_min          0.1333
_exptl_transmission_factor_max   ?
_exptl_transmission_factor_min   ?
_diffrn_reflns_av_R_equivalents  0.0248
_diffrn_reflns_av_unetI/netI     0.0202
_diffrn_reflns_Laue_measured_fraction_full 1.000
_diffrn_reflns_Laue_measured_fraction_max 0.986
_diffrn_reflns_limit_h_max       12
_diffrn_reflns_limit_h_min       -13
_diffrn_reflns_limit_k_max       23
_diffrn_reflns_limit_k_min       -23
_diffrn_reflns_limit_l_max       12
_diffrn_reflns_limit_l_min       -10
_diffrn_reflns_number            17192
_diffrn_reflns_point_group_measured_fraction_full 1.000
_diffrn_reflns_point_group_measured_fraction_max 0.986
_diffrn_reflns_theta_full        67.684
_diffrn_reflns_theta_max         74.429
_diffrn_reflns_theta_min         4.174
_diffrn_ambient_environment      'N2 gas'
_diffrn_ambient_temperature      120(2)
_diffrn_crystal_treatment        'flash frozen in gaseous N2'
_diffrn_detector                 'CCD area detector'
_diffrn_detector_area_resol_mean 10.6296
_diffrn_detector_type            'Agilent Diffraction Atlas detector'
_diffrn_measured_fraction_theta_full 1.000
_diffrn_measured_fraction_theta_max 0.986
_diffrn_measurement_details      
;
#__ type_ start__ end____ width___ exp.time_
  1 omega -103.00  -17.00   1.0000    1.0000
omega____ theta____ kappa____ phi______ frames
    -      -38.5000  -57.0000  -90.0000 86

#__ type_ start__ end____ width___ exp.time_
  2 omega  -42.00   -3.00   1.0000    1.0000
omega____ theta____ kappa____ phi______ frames
    -      -38.5000  125.0000   60.0000 39

#__ type_ start__ end____ width___ exp.time_
  3 omega  -91.00  -47.00   1.0000    1.0000
omega____ theta____ kappa____ phi______ frames
    -      -38.5000  125.0000   60.0000 44

#__ type_ start__ end____ width___ exp.time_
  4 omega  -24.00   10.00   1.0000    1.0000
omega____ theta____ kappa____ phi______ frames
    -      -38.5000   38.0000   90.0000 34

#__ type_ start__ end____ width___ exp.time_
  5 omega   86.00  154.00   1.0000    4.0000
omega____ theta____ kappa____ phi______ frames
    -      105.3295   61.0000   30.0000 68

#__ type_ start__ end____ width___ exp.time_
  6 omega   42.00   72.00   1.0000    4.0000
omega____ theta____ kappa____ phi______ frames
    -      105.3295  -30.0000   60.0000 30

#__ type_ start__ end____ width___ exp.time_
  7 omega   59.00   99.00   1.0000    4.0000
omega____ theta____ kappa____ phi______ frames
    -      105.3295  -45.0000  120.0000 40

#__ type_ start__ end____ width___ exp.time_
  8 omega   44.00  134.00   1.0000    4.0000
omega____ theta____ kappa____ phi______ frames
    -      105.3295  -77.0000  -90.0000 90

#__ type_ start__ end____ width___ exp.time_
  9 omega   36.00  103.00   1.0000    4.0000
omega____ theta____ kappa____ phi______ frames
    -      105.3295  -94.0000 -120.0000 67

#__ type_ start__ end____ width___ exp.time_
 10 omega   93.00  174.00   1.0000    4.0000
omega____ theta____ kappa____ phi______ frames
    -      105.3295   45.0000   90.0000 81

#__ type_ start__ end____ width___ exp.time_
 11 omega   35.00   90.00   1.0000    4.0000
omega____ theta____ kappa____ phi______ frames
    -      105.3295  -30.0000  -90.0000 55

#__ type_ start__ end____ width___ exp.time_
 12 omega  -90.00  -17.00   1.0000    1.0000
omega____ theta____ kappa____ phi______ frames
    -      -38.5000  125.0000  -60.0000 73

#__ type_ start__ end____ width___ exp.time_
 13 omega -109.00  -19.00   1.0000    1.0000
omega____ theta____ kappa____ phi______ frames
    -      -38.5000  -38.0000  150.0000 90

#__ type_ start__ end____ width___ exp.time_
 14 omega  -22.00    4.00   1.0000    1.0000
omega____ theta____ kappa____ phi______ frames
    -      -38.5000   38.0000  -90.0000 26

#__ type_ start__ end____ width___ exp.time_
 15 omega   36.00   83.00   1.0000    4.0000
omega____ theta____ kappa____ phi______ frames
    -      105.3295  -30.0000   90.0000 47

#__ type_ start__ end____ width___ exp.time_
 16 omega   52.00   78.00   1.0000    4.0000
omega____ theta____ kappa____ phi______ frames
    -      105.3295  -30.0000 -180.0000 26

#__ type_ start__ end____ width___ exp.time_
 17 omega  102.00  150.00   1.0000    4.0000
omega____ theta____ kappa____ phi______ frames
    -      105.3295   45.0000  120.0000 48

#__ type_ start__ end____ width___ exp.time_
 18 omega   26.00  108.00   1.0000    4.0000
omega____ theta____ kappa____ phi______ frames
    -      105.3295  -94.0000  150.0000 82

#__ type_ start__ end____ width___ exp.time_
 19 omega   63.00  120.00   1.0000    4.0000
omega____ theta____ kappa____ phi______ frames
    -      105.3295 -125.0000   90.0000 57

#__ type_ start__ end____ width___ exp.time_
 20 omega   83.00  172.00   1.0000    4.0000
omega____ theta____ kappa____ phi______ frames
    -      105.3295   45.0000    0.0000 89

#__ type_ start__ end____ width___ exp.time_
 21 omega   42.00   76.00   1.0000    4.0000
omega____ theta____ kappa____ phi______ frames
    -      105.3295  -30.0000 -150.0000 34

#__ type_ start__ end____ width___ exp.time_
 22 omega   30.00   63.00   1.0000    4.0000
omega____ theta____ kappa____ phi______ frames
    -      105.3295  -94.0000   90.0000 33

#__ type_ start__ end____ width___ exp.time_
 23 omega   60.00   90.00   1.0000    4.0000
omega____ theta____ kappa____ phi______ frames
    -      105.3295  -30.0000  -60.0000 30
;
_diffrn_measurement_device       'κ-geometry diffractometer'
_diffrn_measurement_device_type  GV1000
_diffrn_measurement_method       'ω scans'
_diffrn_measurement_specimen_support 'MiTeGen micromount'
_diffrn_orient_matrix_UB_11      0.1001509000
_diffrn_orient_matrix_UB_12      -0.0572649000
_diffrn_orient_matrix_UB_13      0.0318079000
_diffrn_orient_matrix_UB_21      0.1082347000
_diffrn_orient_matrix_UB_22      0.0532157000
_diffrn_orient_matrix_UB_23      -0.0134899000
_diffrn_orient_matrix_UB_31      -0.0013838000
_diffrn_orient_matrix_UB_32      0.0179262000
_diffrn_orient_matrix_UB_33      0.1413301000
_diffrn_radiation_collimation    'focusing mirrors'
_diffrn_radiation_monochromator  mirror
_diffrn_radiation_probe          x-ray
_diffrn_radiation_type           CuK\a
_diffrn_radiation_wavelength     1.54184
_diffrn_source                   'microfocus sealed tube'
_diffrn_source_target            Cu
_diffrn_source_type              'Agilent Diffraction microfocus tube'
_reflns_Friedel_coverage         0.000
_reflns_Friedel_fraction_full    .
_reflns_Friedel_fraction_max     .
_reflns_number_gt                4362
_reflns_number_total             4419
_reflns_odcompleteness_completeness 99.95
_reflns_odcompleteness_iscentric 1
_reflns_odcompleteness_theta     67.13
_reflns_special_details          
;
 Reflections were merged by SHELXL according to the crystal
 class for the calculation of statistics and refinement.
 
 _reflns_Friedel_fraction is defined as the number of unique
 Friedel pairs measured divided by the number that would be
 possible theoretically, ignoring centric projections and
 systematic absences.
;
_reflns_threshold_expression     'I > 2σ(I)'
_computing_cell_refinement       
;
CrysAlisPro, Agilent Technologies,
Version 1.171.36.28a (release 18-03-2013 CrysAlis171 .NET)
(compiled Mar 18 2013,11:47:30)
;
_computing_data_collection       
;
CrysAlisPro, Agilent Technologies,
Version 1.171.36.28a (release 18-03-2013 CrysAlis171 .NET)
(compiled Mar 18 2013,11:47:30)
;
_computing_data_reduction        
;
CrysAlisPro, Agilent Technologies,
Version 1.171.36.28a (release 18-03-2013 CrysAlis171 .NET)
(compiled Mar 18 2013,11:47:30)
;
_computing_molecular_graphics    'Olex2 (Dolomanov et al., 2009)'
_computing_publication_material  'Olex2 (Dolomanov et al., 2009)'
_computing_structure_refinement  'ShelXL (Sheldrick, 2008)'
_computing_structure_solution    'ShelXS (Sheldrick, 2008)'
_refine_diff_density_max         0.578
_refine_diff_density_min         -0.580
_refine_diff_density_rms         0.054
_refine_ls_extinction_coef       .
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.043
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     259
_refine_ls_number_reflns         4419
_refine_ls_number_restraints     7
_refine_ls_R_factor_all          0.0197
_refine_ls_R_factor_gt           0.0193
_refine_ls_restrained_S_all      1.052
_refine_ls_shift/su_max          0.002
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details     
'w=1/[σ²(Fo²)+(0.0301P)²+0.6644P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0494
_refine_ls_wR_factor_ref         0.0496
_olex2_refinement_description    
;
1. Fixed Uiso
 At 1.2 times of:
  All C(H) groups, All C(H,H) groups
 At 1.5 times of:
  All C(H,H,H) groups
2. Restrained distances
 O1-C22 \\sim O1-C25
 with sigma of 0.02
 C23-C22 \\sim C25-C24 \\sim C24-C23
 with sigma of 0.02
 C22-C24 \\sim C23-C25
 with sigma of 0.02
 C23-O1 \\sim O1-C24
 with sigma of 0.02
 C25-Dy1 \\sim Dy1-C22
 with sigma of 0.02
3. Others
 Fixed Sof: O1(0.5) H17A(0.5) H17B(0.5) C22(0.5) H22A(0.5) H22B(0.5) C25(0.5)
 H25A(0.5) H25B(0.5) C23(0.5) H23A(0.5) H23B(0.5) C24(0.5) H24A(0.5) H24B(0.5)
4.a Secondary CH2 refined with riding coordinates:
 C17(H17A,H17B), C22(H22A,H22B), C25(H25A,H25B), C23(H23A,H23B), C24(H24A,H24B)
4.b Aromatic/amide H refined with riding coordinates:
 C3(H3), C4(H4), C5(H5), C6(H6), C7(H7), C9(H9), C10(H10), C11(H11), C12(H12),
 C13(H13), C19(H19), C20(H20), C21(H21)
4.c Idealised Me refined as rotating group:
 C14(H14A,H14B,H14C), C15(H15A,H15B,H15C), C16(H16A,H16B,H16C)
;
_atom_sites_solution_hydrogens   geom
_atom_sites_solution_primary     heavy
_atom_sites_solution_secondary   difmap
loop_
_atom_site_label
_atom_site_type_symbol
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_U_iso_or_equiv
_atom_site_adp_type
_atom_site_occupancy
_atom_site_site_symmetry_order
_atom_site_calc_flag
_atom_site_refinement_flags_posn
_atom_site_refinement_flags_adp
_atom_site_refinement_flags_occupancy
_atom_site_disorder_assembly
_atom_site_disorder_group
Dy1 Dy 0.72316(2) 0.7500 0.59812(2) 0.01358(5) Uani 1 2 d S T P . .
P1 P 0.85600(3) 0.83268(2) 0.79827(3) 0.01272(8) Uani 1 1 d . . . . .
Si1 Si 0.76090(4) 0.94340(2) 0.60905(4) 0.01829(9) Uani 1 1 d . . . . .
O1 O 0.8156(2) 0.7436(18) 0.40041(19) 0.023(3) Uani 0.5 1 d . . . A -1
N1 N 0.79935(12) 0.86057(7) 0.66041(12) 0.0150(2) Uani 1 1 d . . . . .
C1 C 0.8140(2) 0.7500 0.8084(2) 0.0153(4) Uani 1 2 d S T P A .
C2 C 0.78811(14) 0.88340(8) 0.92227(14) 0.0160(3) Uani 1 1 d . . . . .
C3 C 0.84975(17) 0.93914(9) 0.98408(17) 0.0232(3) Uani 1 1 d . . . . .
H3 H 0.9338 0.9516 0.9644 0.028 Uiso 1 1 calc R . . . .
C4 C 0.78901(18) 0.97681(10) 1.07470(18) 0.0285(4) Uani 1 1 d . . . . .
H4 H 0.8327 1.0139 1.1183 0.034 Uiso 1 1 calc R . . . .
C5 C 0.66501(18) 0.96026(10) 1.10140(17) 0.0266(4) Uani 1 1 d . . . . .
H5 H 0.6227 0.9868 1.1614 0.032 Uiso 1 1 calc R . . . .
C6 C 0.60310(16) 0.90479(10) 1.04029(17) 0.0265(4) Uani 1 1 d . . . . .
H6 H 0.5181 0.8933 1.0584 0.032 Uiso 1 1 calc R . . . .
C7 C 0.66465(16) 0.86583(9) 0.95267(16) 0.0224(3) Uani 1 1 d . . . . .
H7 H 0.6225 0.8270 0.9131 0.027 Uiso 1 1 calc R . . . .
C8 C 1.02765(14) 0.84739(8) 0.81746(15) 0.0172(3) Uani 1 1 d . . . . .
C9 C 1.09430(16) 0.83855(9) 0.93479(18) 0.0247(3) Uani 1 1 d . . . . .
H9 H 1.0488 0.8295 1.0073 0.030 Uiso 1 1 calc R . . . .
C10 C 1.22727(18) 0.84301(10) 0.9459(2) 0.0326(4) Uani 1 1 d . . . . .
H10 H 1.2720 0.8381 1.0265 0.039 Uiso 1 1 calc R . . . .
C11 C 1.29479(16) 0.85459(10) 0.8406(2) 0.0327(4) Uani 1 1 d . . . . .
H11 H 1.3856 0.8567 0.8486 0.039 Uiso 1 1 calc R . . . .
C12 C 1.22959(17) 0.86312(11) 0.72345(19) 0.0311(4) Uani 1 1 d . . . . .
H12 H 1.2756 0.8710 0.6509 0.037 Uiso 1 1 calc R . . . .
C13 C 1.09652(16) 0.86008(9) 0.71235(17) 0.0238(3) Uani 1 1 d . . . . .
H13 H 1.0521 0.8667 0.6321 0.029 Uiso 1 1 calc R . . . .
C14 C 0.60685(18) 0.97454(10) 0.66997(19) 0.0307(4) Uani 1 1 d . . . . .
H14A H 0.5404 0.9391 0.6535 0.046 Uiso 1 1 calc GR . . . .
H14B H 0.5803 1.0179 0.6271 0.046 Uiso 1 1 calc GR . . . .
H14C H 0.6194 0.9829 0.7611 0.046 Uiso 1 1 calc GR . . . .
C15 C 0.8858(2) 1.01034(10) 0.6553(2) 0.0349(4) Uani 1 1 d . . . . .
H15A H 0.8944 1.0147 0.7475 0.052 Uiso 1 1 calc GR . . . .
H15B H 0.8603 1.0553 0.6178 0.052 Uiso 1 1 calc GR . . . .
H15C H 0.9680 0.9960 0.6248 0.052 Uiso 1 1 calc GR . . . .
C16 C 0.74149(19) 0.93986(10) 0.43285(17) 0.0305(4) Uani 1 1 d . . . . .
H16A H 0.8210 0.9231 0.4000 0.046 Uiso 1 1 calc GR . . . .
H16B H 0.7220 0.9865 0.3995 0.046 Uiso 1 1 calc GR . . . .
H16C H 0.6713 0.9081 0.4066 0.046 Uiso 1 1 calc GR . . . .
C17 C 0.4977(2) 0.7500 0.6316(2) 0.0291(6) Uani 1 2 d S T P A .
H17A H 0.4702 0.7077 0.6755 0.035 Uiso 0.5 1 calc R . . . .
H17B H 0.4702 0.7923 0.6755 0.035 Uiso 0.5 1 calc R . . . .
C18 C 0.4586(2) 0.7500 0.4983(2) 0.0246(5) Uani 1 2 d S T P A .
C19 C 0.4445(2) 0.81214(10) 0.42837(19) 0.0348(4) Uani 1 1 d . . . . .
H19 H 0.4536 0.8554 0.4713 0.042 Uiso 1 1 calc R . . A .
C20 C 0.4178(3) 0.81190(12) 0.2988(2) 0.0458(5) Uani 1 1 d . . . . .
H20 H 0.4071 0.8548 0.2547 0.055 Uiso 1 1 calc R . . . .
C21 C 0.4064(4) 0.7500 0.2329(3) 0.0477(8) Uani 1 2 d S T P . .
H21 H 0.3911 0.7500 0.1436 0.057 Uiso 1 2 calc RS T P . .
C22 C 0.7580(3) 0.7435(14) 0.2712(3) 0.031(3) Uani 0.5 1 d . . . A -1
H22A H 0.6851 0.7764 0.2622 0.037 Uiso 0.5 1 calc R . . A -1
H22B H 0.7270 0.6964 0.2466 0.037 Uiso 0.5 1 calc R . . A -1
C25 C 0.9535(4) 0.754(2) 0.3970(3) 0.057(2) Uani 0.5 1 d . . . A -1
H25A H 1.0014 0.7239 0.4602 0.068 Uiso 0.5 1 calc R . . A -1
H25B H 0.9775 0.8029 0.4127 0.068 Uiso 0.5 1 calc R . . A -1
C23 C 0.8639(4) 0.76619(19) 0.1910(3) 0.0354(13) Uani 0.5 1 d . . . A -1
H23A H 0.8728 0.8175 0.1895 0.042 Uiso 0.5 1 calc R . . A -1
H23B H 0.8504 0.7485 0.1034 0.042 Uiso 0.5 1 calc R . . A -1
C24 C 0.9787(4) 0.7317(3) 0.2618(4) 0.054(2) Uani 0.5 1 d . . . A -1
H24A H 1.0608 0.7504 0.2356 0.065 Uiso 0.5 1 calc R . . A -1
H24B H 0.9773 0.6804 0.2516 0.065 Uiso 0.5 1 calc R . . A -1


_geom_special_details            
;
 All esds (except the esd in the dihedral angle between two l.s. planes)
 are estimated using the full covariance matrix.  The cell esds are taken
 into account individually in the estimation of esds in distances, angles
 and torsion angles; correlations between esds in cell parameters are only
 used when they are defined by crystal symmetry.  An approximate (isotropic)
 treatment of cell esds is used for estimating esds involving l.s. planes.
;
loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_site_symmetry_2
_geom_bond_publ_flag
Dy1 O1 2.376(3) . ?
Dy1 N1 2.3471(13) . ?
Dy1 N1 2.3471(13) 4_575 ?
Dy1 C1 2.364(2) . ?
Dy1 C17 2.413(2) . ?
Dy1 C18 2.895(2) . ?
P1 N1 1.6303(13) . ?
P1 C1 1.6534(7) . ?
P1 C2 1.8223(16) . ?
P1 C8 1.8168(16) . ?
Si1 N1 1.7203(13) . ?
Si1 C14 1.8781(19) . ?
Si1 C15 1.875(2) . ?
Si1 C16 1.8686(19) . ?
O1 C22 1.459(4) . ?
O1 C25 1.460(8) . ?
C1 P1 1.6534(7) 4_575 ?
C2 C3 1.391(2) . ?
C2 C7 1.396(2) . ?
C3 H3 0.9500 . ?
C3 C4 1.393(2) . ?
C4 H4 0.9500 . ?
C4 C5 1.386(3) . ?
C5 H5 0.9500 . ?
C5 C6 1.384(3) . ?
C6 H6 0.9500 . ?
C6 C7 1.388(2) . ?
C7 H7 0.9500 . ?
C8 C9 1.394(2) . ?
C8 C13 1.393(2) . ?
C9 H9 0.9500 . ?
C9 C10 1.392(3) . ?
C10 H10 0.9500 . ?
C10 C11 1.383(3) . ?
C11 H11 0.9500 . ?
C11 C12 1.386(3) . ?
C12 H12 0.9500 . ?
C12 C13 1.391(2) . ?
C13 H13 0.9500 . ?
C14 H14A 0.9800 . ?
C14 H14B 0.9800 . ?
C14 H14C 0.9800 . ?
C15 H15A 0.9800 . ?
C15 H15B 0.9800 . ?
C15 H15C 0.9800 . ?
C16 H16A 0.9800 . ?
C16 H16B 0.9800 . ?
C16 H16C 0.9800 . ?
C17 H17A 0.9900 . ?
C17 H17B 0.9900 . ?
C17 C18 1.445(4) . ?
C18 C19 1.408(2) . ?
C18 C19 1.408(2) 4_575 ?
C19 H19 0.9500 . ?
C19 C20 1.384(3) . ?
C20 H20 0.9500 . ?
C20 C21 1.380(3) . ?
C21 C20 1.380(3) 4_575 ?
C21 H21 0.9500 . ?
C22 H22A 0.9900 . ?
C22 H22B 0.9900 . ?
C22 C23 1.510(9) . ?
C25 H25A 0.9900 . ?
C25 H25B 0.9900 . ?
C25 C24 1.537(11) . ?
C23 H23A 0.9900 . ?
C23 H23B 0.9900 . ?
C23 C24 1.523(6) . ?
C24 H24A 0.9900 . ?
C24 H24B 0.9900 . ?

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 C17 126.48(9) . . ?
O1 Dy1 C18 96.65(7) . . ?
N1 Dy1 O1 92.9(8) 4_575 . ?
N1 Dy1 O1 98.3(8) . . ?
N1 Dy1 N1 129.59(6) . 4_575 ?
N1 Dy1 C1 68.16(3) 4_575 . ?
N1 Dy1 C1 68.16(3) . . ?
N1 Dy1 C17 105.97(4) . . ?
N1 Dy1 C17 105.97(4) 4_575 . ?
N1 Dy1 C18 113.61(3) . . ?
N1 Dy1 C18 113.61(3) 4_575 . ?
C1 Dy1 O1 132.26(9) . . ?
C1 Dy1 C17 101.13(8) . . ?
C1 Dy1 C18 131.00(7) . . ?
C17 Dy1 C18 29.87(8) . . ?
N1 P1 C1 107.01(9) . . ?
N1 P1 C2 109.71(7) . . ?
N1 P1 C8 110.09(7) . . ?
C1 P1 C2 110.31(9) . . ?
C1 P1 C8 114.07(9) . . ?
C8 P1 C2 105.64(7) . . ?
N1 Si1 C14 111.89(8) . . ?
N1 Si1 C15 114.08(8) . . ?
N1 Si1 C16 106.86(8) . . ?
C15 Si1 C14 106.96(10) . . ?
C16 Si1 C14 108.75(9) . . ?
C16 Si1 C15 108.15(9) . . ?
C22 O1 Dy1 131.6(2) . . ?
C22 O1 C25 108.7(4) . . ?
C25 O1 Dy1 118.7(4) . . ?
P1 N1 Dy1 92.89(6) . . ?
P1 N1 Si1 130.58(8) . . ?
Si1 N1 Dy1 132.86(7) . . ?
P1 C1 Dy1 91.69(8) . . ?
P1 C1 Dy1 91.69(8) 4_575 . ?
P1 C1 P1 147.66(14) . 4_575 ?
C3 C2 P1 124.11(12) . . ?
C3 C2 C7 118.91(15) . . ?
C7 C2 P1 116.95(12) . . ?
C2 C3 H3 119.8 . . ?
C2 C3 C4 120.43(16) . . ?
C4 C3 H3 119.8 . . ?
C3 C4 H4 119.9 . . ?
C5 C4 C3 120.18(17) . . ?
C5 C4 H4 119.9 . . ?
C4 C5 H5 120.2 . . ?
C6 C5 C4 119.68(16) . . ?
C6 C5 H5 120.2 . . ?
C5 C6 H6 119.8 . . ?
C5 C6 C7 120.32(16) . . ?
C7 C6 H6 119.8 . . ?
C2 C7 H7 119.8 . . ?
C6 C7 C2 120.44(16) . . ?
C6 C7 H7 119.8 . . ?
C9 C8 P1 120.64(13) . . ?
C13 C8 P1 120.14(12) . . ?
C13 C8 C9 118.84(15) . . ?
C8 C9 H9 119.9 . . ?
C10 C9 C8 120.17(18) . . ?
C10 C9 H9 119.9 . . ?
C9 C10 H10 119.8 . . ?
C11 C10 C9 120.48(18) . . ?
C11 C10 H10 119.8 . . ?
C10 C11 H11 120.1 . . ?
C10 C11 C12 119.83(16) . . ?
C12 C11 H11 120.1 . . ?
C11 C12 H12 120.1 . . ?
C11 C12 C13 119.85(18) . . ?
C13 C12 H12 120.1 . . ?
C8 C13 H13 119.6 . . ?
C12 C13 C8 120.81(17) . . ?
C12 C13 H13 119.6 . . ?
Si1 C14 H14A 109.5 . . ?
Si1 C14 H14B 109.5 . . ?
Si1 C14 H14C 109.5 . . ?
H14A C14 H14B 109.5 . . ?
H14A C14 H14C 109.5 . . ?
H14B C14 H14C 109.5 . . ?
Si1 C15 H15A 109.5 . . ?
Si1 C15 H15B 109.5 . . ?
Si1 C15 H15C 109.5 . . ?
H15A C15 H15B 109.5 . . ?
H15A C15 H15C 109.5 . . ?
H15B C15 H15C 109.5 . . ?
Si1 C16 H16A 109.5 . . ?
Si1 C16 H16B 109.5 . . ?
Si1 C16 H16C 109.5 . . ?
H16A C16 H16B 109.5 . . ?
H16A C16 H16C 109.5 . . ?
H16B C16 H16C 109.5 . . ?
Dy1 C17 H17A 113.0 . . ?
Dy1 C17 H17B 113.0 . . ?
H17A C17 H17B 110.4 . . ?
C18 C17 Dy1 93.85(15) . . ?
C18 C17 H17A 113.0 . . ?
C18 C17 H17B 113.0 . . ?
C17 C18 Dy1 56.28(12) . . ?
C19 C18 Dy1 104.78(13) . . ?
C19 C18 Dy1 104.78(13) 4_575 . ?
C19 C18 C17 121.90(12) 4_575 . ?
C19 C18 C17 121.90(12) . . ?
C19 C18 C19 115.9(2) . 4_575 ?
C18 C19 H19 119.1 . . ?
C20 C19 C18 121.85(19) . . ?
C20 C19 H19 119.1 . . ?
C19 C20 H20 119.7 . . ?
C21 C20 C19 120.7(2) . . ?
C21 C20 H20 119.7 . . ?
C20 C21 C20 118.9(3) 4_575 . ?
C20 C21 H21 120.5 4_575 . ?
C20 C21 H21 120.5 . . ?
O1 C22 H22A 110.7 . . ?
O1 C22 H22B 110.7 . . ?
O1 C22 C23 105.0(6) . . ?
H22A C22 H22B 108.8 . . ?
C23 C22 H22A 110.7 . . ?
C23 C22 H22B 110.7 . . ?
O1 C25 H25A 111.2 . . ?
O1 C25 H25B 111.2 . . ?
O1 C25 C24 102.9(9) . . ?
H25A C25 H25B 109.1 . . ?
C24 C25 H25A 111.2 . . ?
C24 C25 H25B 111.2 . . ?
C22 C23 H23A 111.7 . . ?
C22 C23 H23B 111.7 . . ?
C22 C23 C24 100.5(6) . . ?
H23A C23 H23B 109.4 . . ?
C24 C23 H23A 111.7 . . ?
C24 C23 H23B 111.7 . . ?
C25 C24 H24A 111.9 . . ?
C25 C24 H24B 111.9 . . ?
C23 C24 C25 99.2(7) . . ?
C23 C24 H24A 111.9 . . ?
C23 C24 H24B 111.9 . . ?
H24A C24 H24B 109.6 . . ?

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
Dy1 O1 C22 C23 159(2) . . . . ?
Dy1 O1 C25 C24 169.3(17) . . . . ?
Dy1 C17 C18 C19 86.9(2) . . . 4_575 ?
Dy1 C17 C18 C19 -86.9(2) . . . . ?
Dy1 C18 C19 C20 115.2(2) . . . . ?
P1 C2 C3 C4 177.62(14) . . . . ?
P1 C2 C7 C6 -175.86(14) . . . . ?
P1 C8 C9 C10 173.46(14) . . . . ?
P1 C8 C13 C12 -172.21(14) . . . . ?
O1 C22 C23 C24 36(2) . . . . ?
O1 C25 C24 C23 42(2) . . . . ?
N1 P1 C1 Dy1 4.45(9) . . . . ?
N1 P1 C1 P1 100.3(3) . . . 4_575 ?
N1 P1 C2 C3 -98.01(15) . . . . ?
N1 P1 C2 C7 79.73(14) . . . . ?
N1 P1 C8 C9 169.37(13) . . . . ?
N1 P1 C8 C13 -17.80(15) . . . . ?
C1 P1 N1 Dy1 -4.48(9) . . . . ?
C1 P1 N1 Si1 155.56(11) . . . . ?
C1 P1 C2 C3 144.35(15) . . . . ?
C1 P1 C2 C7 -37.92(16) . . . . ?
C1 P1 C8 C9 -70.33(16) . . . . ?
C1 P1 C8 C13 102.50(15) . . . . ?
C2 P1 N1 Dy1 -124.16(6) . . . . ?
C2 P1 N1 Si1 35.88(12) . . . . ?
C2 P1 C1 Dy1 123.74(7) . . . . ?
C2 P1 C1 P1 -140.4(2) . . . 4_575 ?
C2 P1 C8 C9 50.98(15) . . . . ?
C2 P1 C8 C13 -136.18(13) . . . . ?
C2 C3 C4 C5 -1.9(3) . . . . ?
C3 C2 C7 C6 2.0(3) . . . . ?
C3 C4 C5 C6 1.9(3) . . . . ?
C4 C5 C6 C7 0.0(3) . . . . ?
C5 C6 C7 C2 -2.0(3) . . . . ?
C7 C2 C3 C4 -0.1(3) . . . . ?
C8 P1 N1 Dy1 119.99(6) . . . . ?
C8 P1 N1 Si1 -79.97(11) . . . . ?
C8 P1 C1 Dy1 -117.56(8) . . . . ?
C8 P1 C1 P1 -21.7(3) . . . 4_575 ?
C8 P1 C2 C3 20.62(16) . . . . ?
C8 P1 C2 C7 -161.64(13) . . . . ?
C8 C9 C10 C11 -1.5(3) . . . . ?
C9 C8 C13 C12 0.8(3) . . . . ?
C9 C10 C11 C12 1.2(3) . . . . ?
C10 C11 C12 C13 0.1(3) . . . . ?
C11 C12 C13 C8 -1.1(3) . . . . ?
C13 C8 C9 C10 0.5(3) . . . . ?
C14 Si1 N1 Dy1 77.12(11) . . . . ?
C14 Si1 N1 P1 -75.16(12) . . . . ?
C15 Si1 N1 Dy1 -161.28(10) . . . . ?
C15 Si1 N1 P1 46.44(14) . . . . ?
C16 Si1 N1 Dy1 -41.81(11) . . . . ?
C16 Si1 N1 P1 165.91(10) . . . . ?
C17 C18 C19 C20 174.4(2) . . . . ?
C18 C19 C20 C21 -1.3(4) . . . . ?
C19 C18 C19 C20 0.3(4) 4_575 . . . ?
C19 C20 C21 C20 2.2(6) . . . 4_575 ?
C22 O1 C25 C24 -21(3) . . . . ?
C22 C23 C24 C25 -47.3(16) . . . . ?
C25 O1 C22 C23 -9(3) . . . . ?

_shelx_SHELXL_version_number     2014/7
loop_
_exptl_crystal_face_index_h
_exptl_crystal_face_index_k
_exptl_crystal_face_index_l
_exptl_crystal_face_perp_dist
_exptl_oxdiff_crystal_face_indexfrac_h
_exptl_oxdiff_crystal_face_indexfrac_k
_exptl_oxdiff_crystal_face_indexfrac_l
_exptl_oxdiff_crystal_face_x
_exptl_oxdiff_crystal_face_y
_exptl_oxdiff_crystal_face_z
-6 -6 1 0.0869 -5.9991 -6.0035 0.9984 -0.2253 -0.9823 0.0418
3 -11 0 0.0569 2.9989 -11.0031 0.0046 0.9306 -0.2610 -0.2007
-2 -8 5 0.1219 -2.0048 -7.9943 5.0002 0.4161 -0.7099 0.5661
-1 -9 -5 0.1219 -0.9945 -9.0143 -4.9970 0.2577 -0.5199 -0.8664
-2 -12 0 0.1003 -1.9995 -12.0060 0.0023 0.4873 -0.8554 -0.2121
-6 -5 -1 0.1110 -5.9970 -5.0071 -1.0015 -0.3457 -0.9020 -0.2230
3 5 5 0.1033 2.9938 5.0137 4.9991 0.1717 0.5234 0.7923
3 -8 4 0.0924 2.9946 -7.9938 4.0030 0.8850 -0.1553 0.4183
2 11 -2 0.1034 2.0016 11.0016 -2.0017 -0.4932 0.8291 -0.0884
-6 4 1 0.0847 -5.9990 4.0006 0.9956 -0.7982 -0.4498 0.2207
4 -6 -5 0.1206 4.0039 -6.0106 -4.9953 0.5863 0.1809 -0.8193
6 -6 0 0.0939 5.9979 -5.9995 0.0048 0.9444 0.3299 -0.1152
-2 4 -6 0.1457 -1.9929 3.9886 -6.0009 -0.6189 0.0775 -0.7739
-2 7 5 0.0902 -2.0046 7.0120 4.9960 -0.4434 0.0888 0.8346
1 -4 -7 0.1269 1.0071 -4.0153 -6.9970 0.1082 -0.0103 -1.0623
-3 11 1 0.0601 -2.9999 11.0051 0.9952 -0.8990 0.2475 0.3421
-6 3 -2 0.1122 -5.9958 2.9942 -2.0035 -0.8357 -0.4626 -0.2212
0 -3 -7 0.1356 0.0074 -3.0154 -6.9978 -0.0492 -0.0653 -1.0431
-1 2 7 0.1099 -1.0071 2.0144 6.9975 0.0064 -0.0962 1.0265
6 6 -1 0.0803 5.9991 6.0035 -0.9984 0.2253 0.9823 -0.0418

_olex2_exptl_crystal_mounting_method 'In fomblin on a micromount'
_olex2_submission_special_instructions 'No special instructions were received'
####################################################################### 
# 
# This file contains crystal structure data downloaded from the 
# Cambridge Structural Database (CSD) hosted by the Cambridge 
# Crystallographic Data Centre (CCDC).
# 
# Full information about CCDC data access policies and citation 
# guidelines are available at http://www.ccdc.cam.ac.uk/access/V1 
# 
# Audit and citation data items may have been added by the CCDC. 
# Please retain this information to preserve the provenance of 
# this file and to allow appropriate attribution of the data. 
# 
#######################################################################

data_1Y
_database_code_depnum_ccdc_archive 'CCDC 1054028'
_audit_update_record             
;
2015-03-13 deposited with the CCDC.
2015-11-23 downloaded from the CCDC.
;
_nottingham_internal_coll_name   YLSSIG
_nottingham_internal_coll_number 9254
_nottingham_internal_coll_client LS/STL
_nottingham_internal_coll_type   custom
_nottingham_internal_coll_frame_method 'omega scans'
_nottingham_internal_coll_frame_time '20.0000, 80.0000'
_nottingham_internal_coll_frame_width 1.0000
_nottingham_internal_coll_user   pczwl
_nottingham_internal_coll_date   17/03/2010
_nottingham_internal_coll_location NOTTS
_nottingham_internal_NCS_number  ?
_nottingham_internal_process_date 16/01/2015
_nottingham_internal_process_user pczwl
_nottingham_internal_solution_date 16/01/2015
_nottingham_internal_solution_user pcxmjg
_nottingham_internal_refinement_date 16/01/2015
_nottingham_internal_refinement_user pcxmjg
_nottingham_internal_self_archive_date 16/01/2015
_nottingham_internal_self_validation_date 16/01/2015
_nottingham_internal_self_validation_user pcxmjg
_nottingham_internal_validation_date 19/1/2015
_nottingham_internal_validation_user pczwl
_nottingham_internal_archive_date 19/1/2015
_refine_special_details          ?
_audit_creation_date             2015-01-16
_audit_creation_method           
;
Olex2 1.2
(compiled 2014.09.19 svn.r3010 for OlexSys, GUI svn.r4874)
;
_chemical_name_common            ?
_chemical_name_systematic        ?
_chemical_formula_moiety         'C62 H77 N4 P4 Si4 Y'
_chemical_formula_sum            'C62 H77 N4 P4 Si4 Y'
_chemical_formula_weight         1203.42
_chemical_melting_point          ?
_chemical_oxdiff_formula         'C62 H77 N4 P4 Si4 Y'
_chemical_oxdiff_usercomment     
'YLSSIG #9254 IN FOMBLIN FILM ON MICROMOUNT FOR LS/STL'
loop_
_atom_type_symbol
_atom_type_description
_atom_type_scat_dispersion_real
_atom_type_scat_dispersion_imag
_atom_type_scat_source
C C 0.0181 0.0091 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
H H 0.0000 0.0000 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
N N 0.0311 0.0180 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
P P 0.2955 0.4335 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Si Si 0.2541 0.3302 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Y Y -0.2670 2.0244 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'

_shelx_space_group_comment       
;
The symmetry employed for this shelxl refinement is uniquely defined
by the following loop, which should always be used as a source of
symmetry information in preference to the above space-group names.
They are only intended as comments.
;
_space_group_crystal_system      monoclinic
_space_group_IT_number           15
_space_group_name_H-M_alt        'C 1 2/c 1'
_space_group_name_Hall           '-C 2yc'
loop_
_space_group_symop_operation_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                   31.667(3)
_cell_length_b                   25.7439(13)
_cell_length_c                   20.938(2)
_cell_angle_alpha                90
_cell_angle_beta                 132.786(16)
_cell_angle_gamma                90
_cell_volume                     12527(3)
_cell_formula_units_Z            8
_cell_measurement_reflns_used    21220
_cell_measurement_temperature    90(2)
_cell_measurement_theta_max      74.5220
_cell_measurement_theta_min      3.8330
_shelx_estimated_absorpt_T_max   ?
_shelx_estimated_absorpt_T_min   ?
_exptl_absorpt_coefficient_mu    3.322
_exptl_absorpt_correction_T_max  0.784
_exptl_absorpt_correction_T_min  0.612
_exptl_absorpt_correction_type   gaussian
_exptl_absorpt_process_details   
;
CrysAlisPro, Agilent Technologies,
Version 1.171.37.35 (release 13-08-2014 CrysAlis171 .NET)
(compiled Aug 13 2014,18:06:01)
Numerical absorption correction based on gaussian integration over
			a multifaceted crystal model
Empirical absorption correction using spherical harmonics,
 implemented in SCALE3 ABSPACK scaling algorithm.
;
_exptl_absorpt_special_details   ?
_exptl_crystal_colour            'clear colourless'
_exptl_crystal_colour_lustre     clear
_exptl_crystal_colour_modifier   .
_exptl_crystal_colour_primary    colourless
_exptl_crystal_density_diffrn    1.276
_exptl_crystal_density_meas      ?
_exptl_crystal_density_method    ?
_exptl_crystal_description       block
_exptl_crystal_F_000             5056
_exptl_crystal_size_max          0.2019
_exptl_crystal_size_mid          0.1667
_exptl_crystal_size_min          0.0897
_exptl_transmission_factor_max   ?
_exptl_transmission_factor_min   ?
_diffrn_reflns_av_R_equivalents  0.0763
_diffrn_reflns_av_unetI/netI     0.0411
_diffrn_reflns_Laue_measured_fraction_full 0.999
_diffrn_reflns_Laue_measured_fraction_max 0.974
_diffrn_reflns_limit_h_max       39
_diffrn_reflns_limit_h_min       -39
_diffrn_reflns_limit_k_max       31
_diffrn_reflns_limit_k_min       -32
_diffrn_reflns_limit_l_max       25
_diffrn_reflns_limit_l_min       -21
_diffrn_reflns_number            44828
_diffrn_reflns_point_group_measured_fraction_full 0.999
_diffrn_reflns_point_group_measured_fraction_max 0.974
_diffrn_reflns_theta_full        67.500
_diffrn_reflns_theta_max         74.772
_diffrn_reflns_theta_min         3.434
_diffrn_ambient_environment      N~2~
_diffrn_ambient_temperature      90(2)
_diffrn_crystal_treatment        'flash frozen in gaseous N2'
_diffrn_detector                 'CCD plate'
_diffrn_detector_area_resol_mean 10.3613
_diffrn_detector_type            Atlas
_diffrn_measured_fraction_theta_full 0.999
_diffrn_measured_fraction_theta_max 0.974
_diffrn_measurement_details      
;
#__ type_ start__ end____ width___ exp.time_
  1 omega   25.00  115.00   1.0000   20.0000
omega____ theta____ kappa____ phi______ frames
    -       43.7877   38.0000 -180.0000 90

#__ type_ start__ end____ width___ exp.time_
  2 omega   12.00   44.00   1.0000   20.0000
omega____ theta____ kappa____ phi______ frames
    -       43.7877  -38.0000 -150.0000 32

#__ type_ start__ end____ width___ exp.time_
  3 omega   11.00   97.00   1.0000   20.0000
omega____ theta____ kappa____ phi______ frames
    -       43.7877 -125.0000   30.0000 86

#__ type_ start__ end____ width___ exp.time_
  4 omega   41.00   77.00   1.0000   80.0000
omega____ theta____ kappa____ phi______ frames
    -      105.8472  -45.0000  120.0000 36

#__ type_ start__ end____ width___ exp.time_
  5 omega   30.00   93.00   1.0000   80.0000
omega____ theta____ kappa____ phi______ frames
    -      105.8472 -104.0000   54.0000 63

#__ type_ start__ end____ width___ exp.time_
  6 omega   36.00  122.00   1.0000   80.0000
omega____ theta____ kappa____ phi______ frames
    -      105.8472  -77.0000   60.0000 86

#__ type_ start__ end____ width___ exp.time_
  7 omega   84.00  158.00   1.0000   80.0000
omega____ theta____ kappa____ phi______ frames
    -      105.8472   45.0000  150.0000 74

#__ type_ start__ end____ width___ exp.time_
  8 omega   40.00   72.00   1.0000   80.0000
omega____ theta____ kappa____ phi______ frames
    -      105.8472  -45.0000 -150.0000 32

#__ type_ start__ end____ width___ exp.time_
  9 omega  122.00  158.00   1.0000   80.0000
omega____ theta____ kappa____ phi______ frames
    -      105.8472   45.0000 -180.0000 36

#__ type_ start__ end____ width___ exp.time_
 10 omega   37.00   70.00   1.0000   80.0000
omega____ theta____ kappa____ phi______ frames
    -      105.8472  -45.0000 -120.0000 33

#__ type_ start__ end____ width___ exp.time_
 11 omega   37.00   70.00   1.0000   80.0000
omega____ theta____ kappa____ phi______ frames
    -      105.8472  -45.0000  -90.0000 33

#__ type_ start__ end____ width___ exp.time_
 12 omega   44.00   71.00   1.0000   80.0000
omega____ theta____ kappa____ phi______ frames
    -      105.8472  -45.0000   30.0000 27

#__ type_ start__ end____ width___ exp.time_
 13 omega   37.00   68.00   1.0000   80.0000
omega____ theta____ kappa____ phi______ frames
    -      105.8472  -45.0000   60.0000 31

#__ type_ start__ end____ width___ exp.time_
 14 omega   83.00  137.00   1.0000   80.0000
omega____ theta____ kappa____ phi______ frames
    -      105.8472   45.0000   60.0000 54

#__ type_ start__ end____ width___ exp.time_
 15 omega  -98.00   -2.00   1.0000   20.0000
omega____ theta____ kappa____ phi______ frames
    -      -43.7877  125.0000  150.0000 96

#__ type_ start__ end____ width___ exp.time_
 16 omega -115.00  -23.00   1.0000   20.0000
omega____ theta____ kappa____ phi______ frames
    -      -43.7877  -38.0000 -120.0000 92

#__ type_ start__ end____ width___ exp.time_
 17 omega -115.00  -14.00   1.0000   20.0000
omega____ theta____ kappa____ phi______ frames
    -      -43.7877  -77.0000    0.0000 101

#__ type_ start__ end____ width___ exp.time_
 18 omega   23.00  115.00   1.0000   20.0000
omega____ theta____ kappa____ phi______ frames
    -       43.7877   38.0000   90.0000 92

#__ type_ start__ end____ width___ exp.time_
 19 omega   76.00  158.00   1.0000   80.0000
omega____ theta____ kappa____ phi______ frames
    -      105.8472   77.0000 -150.0000 82

#__ type_ start__ end____ width___ exp.time_
 20 omega   76.00  158.00   1.0000   80.0000
omega____ theta____ kappa____ phi______ frames
    -      105.8472   77.0000    0.0000 82

#__ type_ start__ end____ width___ exp.time_
 21 omega   83.00  158.00   1.0000   80.0000
omega____ theta____ kappa____ phi______ frames
    -      105.8472   45.0000  -60.0000 75
;
_diffrn_measurement_device       'four-circle diffractometer'
_diffrn_measurement_device_type  'SuperNova, Single source at offset, Atlas'
_diffrn_measurement_method       'ω scans'
_diffrn_measurement_specimen_support 'MiTeGen micromount'
_diffrn_orient_matrix_UB_11      -0.0642496000
_diffrn_orient_matrix_UB_12      0.0147014000
_diffrn_orient_matrix_UB_13      -0.0683994000
_diffrn_orient_matrix_UB_21      -0.0163729000
_diffrn_orient_matrix_UB_22      -0.0556578000
_diffrn_orient_matrix_UB_23      0.0032724000
_diffrn_orient_matrix_UB_31      0.0023900000
_diffrn_orient_matrix_UB_32      0.0163049000
_diffrn_orient_matrix_UB_33      0.0731080000
_diffrn_radiation_monochromator  mirror
_diffrn_radiation_probe          x-ray
_diffrn_radiation_type           CuK\a
_diffrn_radiation_wavelength     1.54184
_diffrn_source                   'sealed X-ray tube'
_diffrn_source_type              'SuperNova (Cu) X-ray Source'
_reflns_Friedel_coverage         0.000
_reflns_Friedel_fraction_full    .
_reflns_Friedel_fraction_max     .
_reflns_number_gt                10860
_reflns_number_total             12547
_reflns_odcompleteness_completeness 99.88
_reflns_odcompleteness_iscentric 1
_reflns_odcompleteness_theta     66.97
_reflns_special_details          
;
 Reflections were merged by SHELXL according to the crystal
 class for the calculation of statistics and refinement.
 
 _reflns_Friedel_fraction is defined as the number of unique
 Friedel pairs measured divided by the number that would be
 possible theoretically, ignoring centric projections and
 systematic absences.
;
_reflns_threshold_expression     'I > 2σ(I)'
_computing_cell_refinement       
;
CrysAlisPro, Agilent Technologies,
Version 1.171.37.35 (release 13-08-2014 CrysAlis171 .NET)
(compiled Aug 13 2014,18:06:01)
;
_computing_data_collection       
;
CrysAlisPro, Agilent Technologies,
Version 1.171.37.35 (release 13-08-2014 CrysAlis171 .NET)
(compiled Aug 13 2014,18:06:01)
;
_computing_data_reduction        
;
CrysAlisPro, Agilent Technologies,
Version 1.171.37.35 (release 13-08-2014 CrysAlis171 .NET)
(compiled Aug 13 2014,18:06:01)
;
_computing_molecular_graphics    'Olex2 (Dolomanov et al., 2009)'
_computing_publication_material  'Olex2 (Dolomanov et al., 2009)'
_computing_structure_refinement  'ShelXL (Sheldrick, 2008)'
_computing_structure_solution    'ShelXS (Sheldrick, 2008)'
_refine_diff_density_max         1.914
_refine_diff_density_min         -1.304
_refine_diff_density_rms         0.121
_refine_ls_extinction_coef       .
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.020
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     688
_refine_ls_number_reflns         12547
_refine_ls_number_restraints     0
_refine_ls_R_factor_all          0.0683
_refine_ls_R_factor_gt           0.0600
_refine_ls_restrained_S_all      1.020
_refine_ls_shift/su_max          0.000
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details     
'w=1/[σ²(Fo²)+(0.1169P)²+44.6698P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1668
_refine_ls_wR_factor_ref         0.1764
_olex2_refinement_description    
;
1. Fixed Uiso
 At 1.2 times of:
  All C(H) groups
 At 1.5 times of:
  All C(H,H,H) groups
2.a Ternary CH refined with riding coordinates:
 C32(H32)
2.b Aromatic/amide H refined with riding coordinates:
 C3(H3), C4(H4), C5(H5), C6(H6), C7(H7), C9(H9), C10(H10), C11(H11), C12(H12),
 C13(H13), C18(H18), C19(H19), C20(H20), C21(H21), C22(H22), C24(H24), C25(H25),
  C26(H26), C27(H27), C28(H28), C34(H34), C35(H35), C36(H36), C37(H37),
 C38(H38), C40(H40), C41(H41), C42(H42), C43(H43), C44(H44), C49(H49), C50(H50),
  C51(H51), C52(H52), C53(H53), C55(H55), C56(H56), C57(H57), C58(H58), C59(H59)
2.c Idealised Me refined as rotating group:
 C14(H14A,H14B,H14C), C15(H15A,H15B,H15C), C16(H16A,H16B,H16C), C29(H29A,H29B,
 H29C), C30(H30A,H30B,H30C), C31(H31A,H31B,H31C), C45(H45A,H45B,H45C), C46(H46A,
 H46B,H46C), C47(H47A,H47B,H47C), C60(H60A,H60B,H60C), C61(H61A,H61B,H61C),
 C62(H62A,H62B,H62C)
;
_atom_sites_solution_hydrogens   geom
_atom_sites_solution_primary     direct
_atom_sites_solution_secondary   difmap
loop_
_atom_site_label
_atom_site_type_symbol
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_U_iso_or_equiv
_atom_site_adp_type
_atom_site_occupancy
_atom_site_site_symmetry_order
_atom_site_calc_flag
_atom_site_refinement_flags_posn
_atom_site_refinement_flags_adp
_atom_site_refinement_flags_occupancy
_atom_site_disorder_assembly
_atom_site_disorder_group
Y1 Y 0.23445(2) 0.12086(2) 0.22512(2) 0.01960(11) Uani 1 1 d . . . . .
P1 P 0.32069(4) 0.03272(3) 0.32120(5) 0.02209(19) Uani 1 1 d . . . . .
P2 P 0.35649(4) 0.15448(3) 0.37120(5) 0.02124(18) Uani 1 1 d . . . . .
P3 P 0.12642(4) 0.15732(3) 0.03101(5) 0.02061(18) Uani 1 1 d . . . . .
P4 P 0.12961(4) 0.17579(3) 0.18703(5) 0.02101(18) Uani 1 1 d . . . . .
Si1 Si 0.20508(4) -0.02476(3) 0.20301(6) 0.0253(2) Uani 1 1 d . . . . .
Si2 Si 0.31033(4) 0.25723(3) 0.28323(6) 0.0225(2) Uani 1 1 d . . . . .
Si3 Si 0.20487(4) 0.09537(4) 0.02529(6) 0.0243(2) Uani 1 1 d . . . . .
Si4 Si 0.17469(4) 0.10084(4) 0.32944(6) 0.0242(2) Uani 1 1 d . . . . .
N1 N 0.25165(13) 0.02585(11) 0.23973(18) 0.0241(6) Uani 1 1 d . . . . .
N2 N 0.30304(12) 0.19292(11) 0.29913(17) 0.0223(6) Uani 1 1 d . . . . .
N3 N 0.17917(14) 0.11869(10) 0.07223(18) 0.0245(6) Uani 1 1 d . . . . .
N4 N 0.17330(13) 0.13048(11) 0.25289(18) 0.0229(6) Uani 1 1 d . . . . .
C1 C 0.33085(16) 0.09529(13) 0.3438(2) 0.0264(7) Uani 1 1 d . . . . .
C2 C 0.34832(16) -0.00998(14) 0.4125(2) 0.0270(7) Uani 1 1 d . . . . .
C3 C 0.36836(17) 0.01012(15) 0.4902(2) 0.0304(8) Uani 1 1 d . . . . .
H3 H 0.3682 0.0466 0.4968 0.036 Uiso 1 1 calc R . . . .
C4 C 0.38857(19) -0.02266(17) 0.5583(3) 0.0374(9) Uani 1 1 d . . . . .
H4 H 0.4022 -0.0086 0.6114 0.045 Uiso 1 1 calc R . . . .
C5 C 0.3890(2) -0.07620(17) 0.5494(3) 0.0405(10) Uani 1 1 d . . . . .
H5 H 0.4024 -0.0986 0.5960 0.049 Uiso 1 1 calc R . . . .
C6 C 0.37012(19) -0.09680(16) 0.4728(3) 0.0370(9) Uani 1 1 d . . . . .
H6 H 0.3705 -0.1333 0.4666 0.044 Uiso 1 1 calc R . . . .
C7 C 0.35049(17) -0.06381(14) 0.4049(2) 0.0315(8) Uani 1 1 d . . . . .
H7 H 0.3384 -0.0779 0.3528 0.038 Uiso 1 1 calc R . . . .
C8 C 0.36334(17) 0.00669(13) 0.2982(2) 0.0276(7) Uani 1 1 d . . . . .
C9 C 0.42330(18) 0.01011(17) 0.3644(3) 0.0363(9) Uani 1 1 d . . . . .
H9 H 0.4406 0.0251 0.4189 0.044 Uiso 1 1 calc R . . . .
C10 C 0.4574(2) -0.0084(2) 0.3503(3) 0.0457(11) Uani 1 1 d . . . . .
H10 H 0.4981 -0.0062 0.3954 0.055 Uiso 1 1 calc R . . . .
C11 C 0.4328(2) -0.02997(17) 0.2709(3) 0.0430(10) Uani 1 1 d . . . . .
H11 H 0.4565 -0.0425 0.2617 0.052 Uiso 1 1 calc R . . . .
C12 C 0.3735(2) -0.03334(15) 0.2051(3) 0.0385(9) Uani 1 1 d . . . . .
H12 H 0.3565 -0.0481 0.1505 0.046 Uiso 1 1 calc R . . . .
C13 C 0.33888(19) -0.01499(14) 0.2190(3) 0.0316(8) Uani 1 1 d . . . . .
H13 H 0.2982 -0.0174 0.1738 0.038 Uiso 1 1 calc R . . . .
C14 C 0.20732(17) -0.05580(14) 0.2869(2) 0.0306(8) Uani 1 1 d . . . . .
H14A H 0.2447 -0.0727 0.3315 0.046 Uiso 1 1 calc GR . . . .
H14B H 0.1766 -0.0817 0.2586 0.046 Uiso 1 1 calc GR . . . .
H14C H 0.2018 -0.0291 0.3140 0.046 Uiso 1 1 calc GR . . . .
C15 C 0.2143(2) -0.07978(14) 0.1540(3) 0.0341(8) Uani 1 1 d . . . . .
H15A H 0.2093 -0.0667 0.1052 0.051 Uiso 1 1 calc GR . . . .
H15B H 0.1855 -0.1067 0.1331 0.051 Uiso 1 1 calc GR . . . .
H15C H 0.2530 -0.0946 0.1983 0.051 Uiso 1 1 calc GR . . . .
C16 C 0.13076(17) 0.00196(16) 0.1172(2) 0.0338(8) Uani 1 1 d . . . . .
H16A H 0.1283 0.0359 0.1358 0.051 Uiso 1 1 calc GR . . . .
H16B H 0.1030 -0.0219 0.1081 0.051 Uiso 1 1 calc GR . . . .
H16C H 0.1220 0.0059 0.0627 0.051 Uiso 1 1 calc GR . . . .
C17 C 0.41861(15) 0.16413(13) 0.3827(2) 0.0246(7) Uani 1 1 d . . . . .
C18 C 0.41934(17) 0.13751(14) 0.3258(2) 0.0293(7) Uani 1 1 d . . . . .
H18 H 0.3884 0.1149 0.2837 0.035 Uiso 1 1 calc R . . . .
C19 C 0.46427(18) 0.14326(15) 0.3290(2) 0.0325(8) Uani 1 1 d . . . . .
H19 H 0.4639 0.1247 0.2894 0.039 Uiso 1 1 calc R . . . .
C20 C 0.50990(17) 0.17610(15) 0.3903(3) 0.0329(8) Uani 1 1 d . . . . .
H20 H 0.5407 0.1804 0.3925 0.039 Uiso 1 1 calc R . . . .
C21 C 0.51005(16) 0.20243(15) 0.4481(3) 0.0324(8) Uani 1 1 d . . . . .
H21 H 0.5412 0.2249 0.4902 0.039 Uiso 1 1 calc R . . . .
C22 C 0.46533(16) 0.19650(14) 0.4453(2) 0.0290(7) Uani 1 1 d . . . . .
H22 H 0.4663 0.2144 0.4859 0.035 Uiso 1 1 calc R . . . .
C23 C 0.38539(16) 0.16984(13) 0.4802(2) 0.0245(7) Uani 1 1 d . . . . .
C24 C 0.43427(18) 0.14347(15) 0.5519(2) 0.0334(8) Uani 1 1 d . . . . .
H24 H 0.4546 0.1210 0.5446 0.040 Uiso 1 1 calc R . . . .
C25 C 0.4530(2) 0.15004(17) 0.6332(2) 0.0398(10) Uani 1 1 d . . . . .
H25 H 0.4862 0.1320 0.6818 0.048 Uiso 1 1 calc R . . . .
C26 C 0.4237(2) 0.18288(17) 0.6446(3) 0.0402(10) Uani 1 1 d . . . . .
H26 H 0.4368 0.1872 0.7007 0.048 Uiso 1 1 calc R . . . .
C27 C 0.37527(19) 0.20926(16) 0.5740(3) 0.0361(9) Uani 1 1 d . . . . .
H27 H 0.3552 0.2318 0.5816 0.043 Uiso 1 1 calc R . . . .
C28 C 0.35613(17) 0.20254(15) 0.4916(2) 0.0294(8) Uani 1 1 d . . . . .
H28 H 0.3228 0.2205 0.4431 0.035 Uiso 1 1 calc R . . . .
C29 C 0.36529(17) 0.29480(14) 0.3867(2) 0.0323(8) Uani 1 1 d . . . . .
H29A H 0.3541 0.2954 0.4204 0.048 Uiso 1 1 calc GR . . . .
H29B H 0.3674 0.3304 0.3726 0.048 Uiso 1 1 calc GR . . . .
H29C H 0.4030 0.2781 0.4211 0.048 Uiso 1 1 calc GR . . . .
C30 C 0.33236(18) 0.26161(14) 0.2199(2) 0.0302(8) Uani 1 1 d . . . . .
H30A H 0.3718 0.2486 0.2556 0.045 Uiso 1 1 calc GR . . . .
H30B H 0.3306 0.2979 0.2041 0.045 Uiso 1 1 calc GR . . . .
H30C H 0.3062 0.2406 0.1669 0.045 Uiso 1 1 calc GR . . . .
C31 C 0.24295(16) 0.29583(14) 0.2234(2) 0.0282(7) Uani 1 1 d . . . . .
H31A H 0.2111 0.2777 0.1696 0.042 Uiso 1 1 calc GR . . . .
H31B H 0.2481 0.3301 0.2093 0.042 Uiso 1 1 calc GR . . . .
H31C H 0.2342 0.2999 0.2600 0.042 Uiso 1 1 calc GR . . . .
C32 C 0.13606(15) 0.18962(13) 0.1126(2) 0.0242(7) Uani 1 1 d . . . . .
H32 H 0.1484 0.2264 0.1182 0.029 Uiso 1 1 calc R . . . .
C33 C 0.05707(16) 0.12544(13) -0.0489(2) 0.0238(7) Uani 1 1 d . . . . .
C34 C 0.05350(16) 0.07699(14) -0.0822(2) 0.0274(7) Uani 1 1 d . . . . .
H34 H 0.0876 0.0593 -0.0594 0.033 Uiso 1 1 calc R . . . .
C35 C 0.00003(18) 0.05455(15) -0.1486(3) 0.0349(8) Uani 1 1 d . . . . .
H35 H -0.0023 0.0213 -0.1706 0.042 Uiso 1 1 calc R . . . .
C36 C -0.04932(18) 0.08043(16) -0.1824(3) 0.0348(8) Uani 1 1 d . . . . .
H36 H -0.0858 0.0652 -0.2283 0.042 Uiso 1 1 calc R . . . .
C37 C -0.04645(17) 0.12845(16) -0.1504(3) 0.0345(8) Uani 1 1 d . . . . .
H37 H -0.0808 0.1463 -0.1744 0.041 Uiso 1 1 calc R . . . .
C38 C 0.00696(16) 0.15073(14) -0.0827(2) 0.0285(7) Uani 1 1 d . . . . .
H38 H 0.0090 0.1834 -0.0597 0.034 Uiso 1 1 calc R . . . .
C39 C 0.12330(15) 0.20937(13) -0.0310(2) 0.0230(7) Uani 1 1 d . . . . .
C40 C 0.07806(15) 0.21573(14) -0.1201(2) 0.0250(7) Uani 1 1 d . . . . .
H40 H 0.0455 0.1934 -0.1514 0.030 Uiso 1 1 calc R . . . .
C41 C 0.08046(16) 0.25500(15) -0.1637(2) 0.0291(7) Uani 1 1 d . . . . .
H41 H 0.0499 0.2588 -0.2248 0.035 Uiso 1 1 calc R . . . .
C42 C 0.12700(18) 0.28843(14) -0.1182(2) 0.0297(8) Uani 1 1 d . . . . .
H42 H 0.1276 0.3159 -0.1478 0.036 Uiso 1 1 calc R . . . .
C43 C 0.17268(19) 0.28182(15) -0.0295(3) 0.0345(8) Uani 1 1 d . . . . .
H43 H 0.2050 0.3044 0.0017 0.041 Uiso 1 1 calc R . . . .
C44 C 0.17100(17) 0.24190(15) 0.0136(2) 0.0309(8) Uani 1 1 d . . . . .
H44 H 0.2027 0.2368 0.0741 0.037 Uiso 1 1 calc R . . . .
C45 C 0.28389(17) 0.10740(15) 0.1068(3) 0.0304(8) Uani 1 1 d . . . . .
H45A H 0.2911 0.1449 0.1160 0.046 Uiso 1 1 calc GR . . . .
H45B H 0.3010 0.0930 0.0854 0.046 Uiso 1 1 calc GR . . . .
H45C H 0.3011 0.0906 0.1620 0.046 Uiso 1 1 calc GR . . . .
C46 C 0.19241(18) 0.02392(15) 0.0044(2) 0.0327(8) Uani 1 1 d . . . . .
H46A H 0.2001 0.0069 0.0533 0.049 Uiso 1 1 calc GR . . . .
H46B H 0.2182 0.0098 -0.0017 0.049 Uiso 1 1 calc GR . . . .
H46C H 0.1524 0.0176 -0.0492 0.049 Uiso 1 1 calc GR . . . .
C47 C 0.1737(2) 0.12660(17) -0.0795(3) 0.0395(10) Uani 1 1 d . . . . .
H47A H 0.1318 0.1221 -0.1225 0.059 Uiso 1 1 calc GR . . . .
H47B H 0.1900 0.1104 -0.1010 0.059 Uiso 1 1 calc GR . . . .
H47C H 0.1829 0.1637 -0.0700 0.059 Uiso 1 1 calc GR . . . .
C48 C 0.05782(15) 0.16003(14) 0.1419(2) 0.0257(7) Uani 1 1 d . . . . .
C49 C 0.03077(18) 0.11560(15) 0.0900(2) 0.0308(8) Uani 1 1 d . . . . .
H49 H 0.0488 0.0963 0.0754 0.037 Uiso 1 1 calc R . . . .
C50 C -0.02158(18) 0.09935(17) 0.0598(3) 0.0381(9) Uani 1 1 d . . . . .
H50 H -0.0391 0.0689 0.0251 0.046 Uiso 1 1 calc R . . . .
C51 C -0.04887(18) 0.12710(19) 0.0798(3) 0.0407(10) Uani 1 1 d . . . . .
H51 H -0.0850 0.1158 0.0587 0.049 Uiso 1 1 calc R . . . .
C52 C -0.02304(19) 0.17142(18) 0.1308(3) 0.0411(9) Uani 1 1 d . . . . .
H52 H -0.0417 0.1906 0.1444 0.049 Uiso 1 1 calc R . . . .
C53 C 0.03004(17) 0.18784(16) 0.1621(2) 0.0325(8) Uani 1 1 d . . . . .
H53 H 0.0476 0.2181 0.1974 0.039 Uiso 1 1 calc R . . . .
C54 C 0.14772(16) 0.23802(13) 0.2419(2) 0.0254(7) Uani 1 1 d . . . . .
C55 C 0.19928(17) 0.24194(14) 0.3282(2) 0.0278(7) Uani 1 1 d . . . . .
H55 H 0.2230 0.2122 0.3579 0.033 Uiso 1 1 calc R . . . .
C56 C 0.2161(2) 0.28975(16) 0.3713(3) 0.0360(9) Uani 1 1 d . . . . .
H56 H 0.2513 0.2924 0.4303 0.043 Uiso 1 1 calc R . . . .
C57 C 0.1818(2) 0.33313(15) 0.3284(3) 0.0381(9) Uani 1 1 d . . . . .
H57 H 0.1931 0.3654 0.3581 0.046 Uiso 1 1 calc R . . . .
C58 C 0.1309(2) 0.32947(15) 0.2421(3) 0.0382(9) Uani 1 1 d . . . . .
H58 H 0.1077 0.3594 0.2121 0.046 Uiso 1 1 calc R . . . .
C59 C 0.11370(18) 0.28193(14) 0.1990(3) 0.0312(8) Uani 1 1 d . . . . .
H59 H 0.0785 0.2795 0.1400 0.037 Uiso 1 1 calc R . . . .
C60 C 0.24858(17) 0.07435(16) 0.4167(2) 0.0348(8) Uani 1 1 d . . . . .
H60A H 0.2565 0.0483 0.3919 0.052 Uiso 1 1 calc GR . . . .
H60B H 0.2514 0.0582 0.4619 0.052 Uiso 1 1 calc GR . . . .
H60C H 0.2767 0.1026 0.4423 0.052 Uiso 1 1 calc GR . . . .
C61 C 0.11881(18) 0.04902(16) 0.2798(2) 0.0345(8) Uani 1 1 d . . . . .
H61A H 0.0812 0.0651 0.2488 0.052 Uiso 1 1 calc GR . . . .
H61B H 0.1286 0.0262 0.3256 0.052 Uiso 1 1 calc GR . . . .
H61C H 0.1173 0.0286 0.2387 0.052 Uiso 1 1 calc GR . . . .
C62 C 0.16100(19) 0.14588(16) 0.3841(3) 0.0355(9) Uani 1 1 d . . . . .
H62A H 0.1916 0.1721 0.4174 0.053 Uiso 1 1 calc GR . . . .
H62B H 0.1605 0.1260 0.4235 0.053 Uiso 1 1 calc GR . . . .
H62C H 0.1238 0.1631 0.3400 0.053 Uiso 1 1 calc GR . . . .


_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 N1 2.479(3) . ?
Y1 N2 2.447(3) . ?
Y1 N3 2.388(3) . ?
Y1 N4 2.383(3) . ?
Y1 C1 2.371(4) . ?
Y1 C32 2.902(4) . ?
P1 N1 1.629(3) . ?
P1 C1 1.648(4) . ?
P1 C2 1.832(3) . ?
P1 C8 1.840(4) . ?
P2 N2 1.628(3) . ?
P2 C1 1.636(4) . ?
P2 C17 1.829(4) . ?
P2 C23 1.835(3) . ?
P3 N3 1.602(3) . ?
P3 C32 1.731(3) . ?
P3 C33 1.818(4) . ?
P3 C39 1.822(3) . ?
P4 N4 1.608(3) . ?
P4 C32 1.741(3) . ?
P4 C48 1.818(4) . ?
P4 C54 1.822(3) . ?
Si1 N1 1.710(3) . ?
Si1 C14 1.886(4) . ?
Si1 C15 1.885(4) . ?
Si1 C16 1.870(4) . ?
Si2 N2 1.735(3) . ?
Si2 C29 1.880(4) . ?
Si2 C30 1.875(4) . ?
Si2 C31 1.865(4) . ?
Si3 N3 1.754(3) . ?
Si3 C45 1.863(4) . ?
Si3 C46 1.870(4) . ?
Si3 C47 1.870(4) . ?
Si4 N4 1.749(3) . ?
Si4 C60 1.863(4) . ?
Si4 C61 1.869(4) . ?
Si4 C62 1.876(4) . ?
C2 C3 1.384(5) . ?
C2 C7 1.402(5) . ?
C3 H3 0.9500 . ?
C3 C4 1.384(5) . ?
C4 H4 0.9500 . ?
C4 C5 1.392(6) . ?
C5 H5 0.9500 . ?
C5 C6 1.381(6) . ?
C6 H6 0.9500 . ?
C6 C7 1.388(5) . ?
C7 H7 0.9500 . ?
C8 C9 1.400(6) . ?
C8 C13 1.385(5) . ?
C9 H9 0.9500 . ?
C9 C10 1.384(6) . ?
C10 H10 0.9500 . ?
C10 C11 1.384(7) . ?
C11 H11 0.9500 . ?
C11 C12 1.384(7) . ?
C12 H12 0.9500 . ?
C12 C13 1.396(6) . ?
C13 H13 0.9500 . ?
C14 H14A 0.9800 . ?
C14 H14B 0.9800 . ?
C14 H14C 0.9800 . ?
C15 H15A 0.9800 . ?
C15 H15B 0.9800 . ?
C15 H15C 0.9800 . ?
C16 H16A 0.9800 . ?
C16 H16B 0.9800 . ?
C16 H16C 0.9800 . ?
C17 C18 1.389(5) . ?
C17 C22 1.402(5) . ?
C18 H18 0.9500 . ?
C18 C19 1.385(6) . ?
C19 H19 0.9500 . ?
C19 C20 1.389(6) . ?
C20 H20 0.9500 . ?
C20 C21 1.384(6) . ?
C21 H21 0.9500 . ?
C21 C22 1.385(6) . ?
C22 H22 0.9500 . ?
C23 C24 1.398(5) . ?
C23 C28 1.388(5) . ?
C24 H24 0.9500 . ?
C24 C25 1.381(5) . ?
C25 H25 0.9500 . ?
C25 C26 1.391(6) . ?
C26 H26 0.9500 . ?
C26 C27 1.385(6) . ?
C27 H27 0.9500 . ?
C27 C28 1.397(5) . ?
C28 H28 0.9500 . ?
C29 H29A 0.9800 . ?
C29 H29B 0.9800 . ?
C29 H29C 0.9800 . ?
C30 H30A 0.9800 . ?
C30 H30B 0.9800 . ?
C30 H30C 0.9800 . ?
C31 H31A 0.9800 . ?
C31 H31B 0.9800 . ?
C31 H31C 0.9800 . ?
C32 H32 1.0000 . ?
C33 C34 1.395(5) . ?
C33 C38 1.385(5) . ?
C34 H34 0.9500 . ?
C34 C35 1.391(5) . ?
C35 H35 0.9500 . ?
C35 C36 1.373(6) . ?
C36 H36 0.9500 . ?
C36 C37 1.380(6) . ?
C37 H37 0.9500 . ?
C37 C38 1.393(5) . ?
C38 H38 0.9500 . ?
C39 C40 1.388(5) . ?
C39 C44 1.392(5) . ?
C40 H40 0.9500 . ?
C40 C41 1.398(5) . ?
C41 H41 0.9500 . ?
C41 C42 1.383(6) . ?
C42 H42 0.9500 . ?
C42 C43 1.386(6) . ?
C43 H43 0.9500 . ?
C43 C44 1.393(5) . ?
C44 H44 0.9500 . ?
C45 H45A 0.9800 . ?
C45 H45B 0.9800 . ?
C45 H45C 0.9800 . ?
C46 H46A 0.9800 . ?
C46 H46B 0.9800 . ?
C46 H46C 0.9800 . ?
C47 H47A 0.9800 . ?
C47 H47B 0.9800 . ?
C47 H47C 0.9800 . ?
C48 C49 1.399(5) . ?
C48 C53 1.404(5) . ?
C49 H49 0.9500 . ?
C49 C50 1.378(6) . ?
C50 H50 0.9500 . ?
C50 C51 1.386(7) . ?
C51 H51 0.9500 . ?
C51 C52 1.387(7) . ?
C52 H52 0.9500 . ?
C52 C53 1.391(6) . ?
C53 H53 0.9500 . ?
C54 C55 1.391(5) . ?
C54 C59 1.389(5) . ?
C55 H55 0.9500 . ?
C55 C56 1.400(5) . ?
C56 H56 0.9500 . ?
C56 C57 1.382(6) . ?
C57 H57 0.9500 . ?
C57 C58 1.384(6) . ?
C58 H58 0.9500 . ?
C58 C59 1.393(5) . ?
C59 H59 0.9500 . ?
C60 H60A 0.9800 . ?
C60 H60B 0.9800 . ?
C60 H60C 0.9800 . ?
C61 H61A 0.9800 . ?
C61 H61B 0.9800 . ?
C61 H61C 0.9800 . ?
C62 H62A 0.9800 . ?
C62 H62B 0.9800 . ?
C62 H62C 0.9800 . ?

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
N1 Y1 C32 136.62(10) . . ?
N2 Y1 N1 130.07(10) . . ?
N2 Y1 C32 93.06(10) . . ?
N3 Y1 N1 92.40(9) . . ?
N3 Y1 N2 113.19(9) . . ?
N3 Y1 C32 61.36(10) . . ?
N4 Y1 N1 102.67(10) . . ?
N4 Y1 N2 106.59(10) . . ?
N4 Y1 N3 110.62(10) . . ?
N4 Y1 C32 62.12(10) . . ?
C1 Y1 N1 65.05(11) . . ?
C1 Y1 N2 65.77(11) . . ?
C1 Y1 N3 130.39(12) . . ?
C1 Y1 N4 117.03(11) . . ?
C1 Y1 C32 158.18(11) . . ?
N1 P1 C1 105.56(17) . . ?
N1 P1 C2 112.18(16) . . ?
N1 P1 C8 112.83(16) . . ?
C1 P1 C2 115.19(17) . . ?
C1 P1 C8 113.33(18) . . ?
C2 P1 C8 97.97(16) . . ?
N2 P2 C1 106.56(17) . . ?
N2 P2 C17 112.80(15) . . ?
N2 P2 C23 110.37(16) . . ?
C1 P2 C17 113.93(18) . . ?
C1 P2 C23 110.28(17) . . ?
C17 P2 C23 102.92(16) . . ?
N3 P3 C32 110.26(16) . . ?
N3 P3 C33 112.42(16) . . ?
N3 P3 C39 111.86(16) . . ?
C32 P3 C33 114.74(17) . . ?
C32 P3 C39 103.78(16) . . ?
C33 P3 C39 103.24(15) . . ?
N4 P4 C32 111.12(16) . . ?
N4 P4 C48 109.12(16) . . ?
N4 P4 C54 112.24(16) . . ?
C32 P4 C48 116.48(16) . . ?
C32 P4 C54 101.90(16) . . ?
C48 P4 C54 105.72(17) . . ?
N1 Si1 C14 115.40(16) . . ?
N1 Si1 C15 114.33(17) . . ?
N1 Si1 C16 106.85(16) . . ?
C15 Si1 C14 105.46(17) . . ?
C16 Si1 C14 106.13(18) . . ?
C16 Si1 C15 108.22(19) . . ?
N2 Si2 C29 114.17(15) . . ?
N2 Si2 C30 110.80(15) . . ?
N2 Si2 C31 113.37(15) . . ?
C30 Si2 C29 106.62(19) . . ?
C31 Si2 C29 103.95(17) . . ?
C31 Si2 C30 107.38(17) . . ?
N3 Si3 C45 105.98(16) . . ?
N3 Si3 C46 111.31(17) . . ?
N3 Si3 C47 115.78(17) . . ?
C45 Si3 C46 108.46(18) . . ?
C45 Si3 C47 108.3(2) . . ?
C46 Si3 C47 106.83(18) . . ?
N4 Si4 C60 106.97(17) . . ?
N4 Si4 C61 112.12(16) . . ?
N4 Si4 C62 114.68(16) . . ?
C60 Si4 C61 111.61(19) . . ?
C60 Si4 C62 106.52(19) . . ?
C61 Si4 C62 104.9(2) . . ?
P1 N1 Y1 92.76(13) . . ?
P1 N1 Si1 133.45(18) . . ?
Si1 N1 Y1 130.25(16) . . ?
P2 N2 Y1 92.46(12) . . ?
P2 N2 Si2 124.60(18) . . ?
Si2 N2 Y1 141.12(15) . . ?
P3 N3 Y1 104.74(14) . . ?
P3 N3 Si3 128.44(18) . . ?
Si3 N3 Y1 124.24(16) . . ?
P4 N4 Y1 103.57(14) . . ?
P4 N4 Si4 125.03(18) . . ?
Si4 N4 Y1 131.27(15) . . ?
P1 C1 Y1 96.27(16) . . ?
P2 C1 Y1 95.05(16) . . ?
P2 C1 P1 164.7(3) . . ?
C3 C2 P1 121.0(3) . . ?
C3 C2 C7 118.9(3) . . ?
C7 C2 P1 120.1(3) . . ?
C2 C3 H3 119.8 . . ?
C4 C3 C2 120.4(4) . . ?
C4 C3 H3 119.8 . . ?
C3 C4 H4 119.8 . . ?
C3 C4 C5 120.3(4) . . ?
C5 C4 H4 119.8 . . ?
C4 C5 H5 120.0 . . ?
C6 C5 C4 120.0(4) . . ?
C6 C5 H5 120.0 . . ?
C5 C6 H6 120.2 . . ?
C5 C6 C7 119.5(4) . . ?
C7 C6 H6 120.2 . . ?
C2 C7 H7 119.6 . . ?
C6 C7 C2 120.8(4) . . ?
C6 C7 H7 119.6 . . ?
C9 C8 P1 117.5(3) . . ?
C13 C8 P1 123.2(3) . . ?
C13 C8 C9 119.3(4) . . ?
C8 C9 H9 120.0 . . ?
C10 C9 C8 119.9(4) . . ?
C10 C9 H9 120.0 . . ?
C9 C10 H10 119.7 . . ?
C11 C10 C9 120.6(4) . . ?
C11 C10 H10 119.7 . . ?
C10 C11 H11 120.0 . . ?
C12 C11 C10 119.9(4) . . ?
C12 C11 H11 120.0 . . ?
C11 C12 H12 120.1 . . ?
C11 C12 C13 119.8(4) . . ?
C13 C12 H12 120.1 . . ?
C8 C13 C12 120.5(4) . . ?
C8 C13 H13 119.7 . . ?
C12 C13 H13 119.7 . . ?
Si1 C14 H14A 109.5 . . ?
Si1 C14 H14B 109.5 . . ?
Si1 C14 H14C 109.5 . . ?
H14A C14 H14B 109.5 . . ?
H14A C14 H14C 109.5 . . ?
H14B C14 H14C 109.5 . . ?
Si1 C15 H15A 109.5 . . ?
Si1 C15 H15B 109.5 . . ?
Si1 C15 H15C 109.5 . . ?
H15A C15 H15B 109.5 . . ?
H15A C15 H15C 109.5 . . ?
H15B C15 H15C 109.5 . . ?
Si1 C16 H16A 109.5 . . ?
Si1 C16 H16B 109.5 . . ?
Si1 C16 H16C 109.5 . . ?
H16A C16 H16B 109.5 . . ?
H16A C16 H16C 109.5 . . ?
H16B C16 H16C 109.5 . . ?
C18 C17 P2 117.6(3) . . ?
C18 C17 C22 118.2(3) . . ?
C22 C17 P2 124.2(3) . . ?
C17 C18 H18 119.3 . . ?
C19 C18 C17 121.4(4) . . ?
C19 C18 H18 119.3 . . ?
C18 C19 H19 120.0 . . ?
C18 C19 C20 120.0(4) . . ?
C20 C19 H19 120.0 . . ?
C19 C20 H20 120.4 . . ?
C21 C20 C19 119.3(4) . . ?
C21 C20 H20 120.4 . . ?
C20 C21 H21 119.6 . . ?
C20 C21 C22 120.9(4) . . ?
C22 C21 H21 119.6 . . ?
C17 C22 H22 119.9 . . ?
C21 C22 C17 120.3(3) . . ?
C21 C22 H22 119.9 . . ?
C24 C23 P2 118.9(3) . . ?
C28 C23 P2 121.2(3) . . ?
C28 C23 C24 119.5(3) . . ?
C23 C24 H24 120.0 . . ?
C25 C24 C23 120.0(4) . . ?
C25 C24 H24 120.0 . . ?
C24 C25 H25 119.7 . . ?
C24 C25 C26 120.5(4) . . ?
C26 C25 H25 119.7 . . ?
C25 C26 H26 120.0 . . ?
C27 C26 C25 120.0(4) . . ?
C27 C26 H26 120.0 . . ?
C26 C27 H27 120.2 . . ?
C26 C27 C28 119.6(4) . . ?
C28 C27 H27 120.2 . . ?
C23 C28 C27 120.5(4) . . ?
C23 C28 H28 119.8 . . ?
C27 C28 H28 119.8 . . ?
Si2 C29 H29A 109.5 . . ?
Si2 C29 H29B 109.5 . . ?
Si2 C29 H29C 109.5 . . ?
H29A C29 H29B 109.5 . . ?
H29A C29 H29C 109.5 . . ?
H29B C29 H29C 109.5 . . ?
Si2 C30 H30A 109.5 . . ?
Si2 C30 H30B 109.5 . . ?
Si2 C30 H30C 109.5 . . ?
H30A C30 H30B 109.5 . . ?
H30A C30 H30C 109.5 . . ?
H30B C30 H30C 109.5 . . ?
Si2 C31 H31A 109.5 . . ?
Si2 C31 H31B 109.5 . . ?
Si2 C31 H31C 109.5 . . ?
H31A C31 H31B 109.5 . . ?
H31A C31 H31C 109.5 . . ?
H31B C31 H31C 109.5 . . ?
Y1 C32 H32 111.3 . . ?
P3 C32 Y1 83.13(13) . . ?
P3 C32 P4 137.4(2) . . ?
P3 C32 H32 111.3 . . ?
P4 C32 Y1 82.10(12) . . ?
P4 C32 H32 111.3 . . ?
C34 C33 P3 120.1(3) . . ?
C38 C33 P3 120.4(3) . . ?
C38 C33 C34 119.3(3) . . ?
C33 C34 H34 120.0 . . ?
C35 C34 C33 120.1(4) . . ?
C35 C34 H34 120.0 . . ?
C34 C35 H35 120.0 . . ?
C36 C35 C34 120.0(4) . . ?
C36 C35 H35 120.0 . . ?
C35 C36 H36 119.7 . . ?
C35 C36 C37 120.6(4) . . ?
C37 C36 H36 119.7 . . ?
C36 C37 H37 120.1 . . ?
C36 C37 C38 119.8(4) . . ?
C38 C37 H37 120.1 . . ?
C33 C38 C37 120.3(3) . . ?
C33 C38 H38 119.9 . . ?
C37 C38 H38 119.9 . . ?
C40 C39 P3 123.5(3) . . ?
C40 C39 C44 119.3(3) . . ?
C44 C39 P3 117.1(3) . . ?
C39 C40 H40 120.1 . . ?
C39 C40 C41 119.8(3) . . ?
C41 C40 H40 120.1 . . ?
C40 C41 H41 119.8 . . ?
C42 C41 C40 120.4(3) . . ?
C42 C41 H41 119.8 . . ?
C41 C42 H42 120.0 . . ?
C41 C42 C43 120.0(3) . . ?
C43 C42 H42 120.0 . . ?
C42 C43 H43 120.2 . . ?
C42 C43 C44 119.6(4) . . ?
C44 C43 H43 120.2 . . ?
C39 C44 C43 120.7(3) . . ?
C39 C44 H44 119.7 . . ?
C43 C44 H44 119.7 . . ?
Si3 C45 H45A 109.5 . . ?
Si3 C45 H45B 109.5 . . ?
Si3 C45 H45C 109.5 . . ?
H45A C45 H45B 109.5 . . ?
H45A C45 H45C 109.5 . . ?
H45B C45 H45C 109.5 . . ?
Si3 C46 H46A 109.5 . . ?
Si3 C46 H46B 109.5 . . ?
Si3 C46 H46C 109.5 . . ?
H46A C46 H46B 109.5 . . ?
H46A C46 H46C 109.5 . . ?
H46B C46 H46C 109.5 . . ?
Si3 C47 H47A 109.5 . . ?
Si3 C47 H47B 109.5 . . ?
Si3 C47 H47C 109.5 . . ?
H47A C47 H47B 109.5 . . ?
H47A C47 H47C 109.5 . . ?
H47B C47 H47C 109.5 . . ?
C49 C48 P4 118.4(3) . . ?
C49 C48 C53 118.2(4) . . ?
C53 C48 P4 123.2(3) . . ?
C48 C49 H49 119.5 . . ?
C50 C49 C48 121.1(4) . . ?
C50 C49 H49 119.5 . . ?
C49 C50 H50 119.8 . . ?
C49 C50 C51 120.5(4) . . ?
C51 C50 H50 119.8 . . ?
C50 C51 H51 120.2 . . ?
C50 C51 C52 119.6(4) . . ?
C52 C51 H51 120.2 . . ?
C51 C52 H52 119.8 . . ?
C51 C52 C53 120.3(4) . . ?
C53 C52 H52 119.8 . . ?
C48 C53 H53 119.8 . . ?
C52 C53 C48 120.4(4) . . ?
C52 C53 H53 119.8 . . ?
C55 C54 P4 118.2(3) . . ?
C59 C54 P4 122.3(3) . . ?
C59 C54 C55 119.4(3) . . ?
C54 C55 H55 120.1 . . ?
C54 C55 C56 119.9(4) . . ?
C56 C55 H55 120.1 . . ?
C55 C56 H56 119.8 . . ?
C57 C56 C55 120.3(4) . . ?
C57 C56 H56 119.8 . . ?
C56 C57 H57 120.1 . . ?
C56 C57 C58 119.9(4) . . ?
C58 C57 H57 120.1 . . ?
C57 C58 H58 119.9 . . ?
C57 C58 C59 120.1(4) . . ?
C59 C58 H58 119.9 . . ?
C54 C59 C58 120.4(4) . . ?
C54 C59 H59 119.8 . . ?
C58 C59 H59 119.8 . . ?
Si4 C60 H60A 109.5 . . ?
Si4 C60 H60B 109.5 . . ?
Si4 C60 H60C 109.5 . . ?
H60A C60 H60B 109.5 . . ?
H60A C60 H60C 109.5 . . ?
H60B C60 H60C 109.5 . . ?
Si4 C61 H61A 109.5 . . ?
Si4 C61 H61B 109.5 . . ?
Si4 C61 H61C 109.5 . . ?
H61A C61 H61B 109.5 . . ?
H61A C61 H61C 109.5 . . ?
H61B C61 H61C 109.5 . . ?
Si4 C62 H62A 109.5 . . ?
Si4 C62 H62B 109.5 . . ?
Si4 C62 H62C 109.5 . . ?
H62A C62 H62B 109.5 . . ?
H62A C62 H62C 109.5 . . ?
H62B C62 H62C 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
P1 C2 C3 C4 179.3(3) . . . . ?
P1 C2 C7 C6 -178.6(3) . . . . ?
P1 C8 C9 C10 -179.3(3) . . . . ?
P1 C8 C13 C12 179.0(3) . . . . ?
P2 C17 C18 C19 178.9(3) . . . . ?
P2 C17 C22 C21 -178.5(3) . . . . ?
P2 C23 C24 C25 -172.7(3) . . . . ?
P2 C23 C28 C27 172.8(3) . . . . ?
P3 C33 C34 C35 -174.5(3) . . . . ?
P3 C33 C38 C37 173.3(3) . . . . ?
P3 C39 C40 C41 -176.5(3) . . . . ?
P3 C39 C44 C43 178.4(3) . . . . ?
P4 C48 C49 C50 174.7(3) . . . . ?
P4 C48 C53 C52 -175.0(3) . . . . ?
P4 C54 C55 C56 176.8(3) . . . . ?
P4 C54 C59 C58 -176.2(3) . . . . ?
N1 P1 C1 Y1 -5.48(18) . . . . ?
N1 P1 C1 P2 -143.1(9) . . . . ?
N1 P1 C2 C3 -111.8(3) . . . . ?
N1 P1 C2 C7 69.5(4) . . . . ?
N1 P1 C8 C9 -179.3(3) . . . . ?
N1 P1 C8 C13 1.8(3) . . . . ?
N2 P2 C1 Y1 -3.60(17) . . . . ?
N2 P2 C1 P1 134.1(9) . . . . ?
N2 P2 C17 C18 -85.6(3) . . . . ?
N2 P2 C17 C22 94.5(3) . . . . ?
N2 P2 C23 C24 -175.4(3) . . . . ?
N2 P2 C23 C28 11.9(3) . . . . ?
N3 P3 C32 Y1 -5.87(15) . . . . ?
N3 P3 C32 P4 -76.3(3) . . . . ?
N3 P3 C33 C34 -14.2(3) . . . . ?
N3 P3 C33 C38 171.3(3) . . . . ?
N3 P3 C39 C40 115.9(3) . . . . ?
N3 P3 C39 C44 -59.7(3) . . . . ?
N4 P4 C32 Y1 -8.67(15) . . . . ?
N4 P4 C32 P3 62.1(3) . . . . ?
N4 P4 C48 C49 -63.8(3) . . . . ?
N4 P4 C48 C53 110.9(3) . . . . ?
N4 P4 C54 C55 8.3(3) . . . . ?
N4 P4 C54 C59 -175.6(3) . . . . ?
C1 P1 N1 Y1 5.22(17) . . . . ?
C1 P1 N1 Si1 -154.3(2) . . . . ?
C1 P1 C2 C3 9.0(4) . . . . ?
C1 P1 C2 C7 -169.7(3) . . . . ?
C1 P1 C8 C9 60.8(3) . . . . ?
C1 P1 C8 C13 -118.1(3) . . . . ?
C1 P2 N2 Y1 3.48(17) . . . . ?
C1 P2 N2 Si2 -164.0(2) . . . . ?
C1 P2 C17 C18 36.0(3) . . . . ?
C1 P2 C17 C22 -143.8(3) . . . . ?
C1 P2 C23 C24 67.1(3) . . . . ?
C1 P2 C23 C28 -105.6(3) . . . . ?
C2 P1 N1 Y1 131.42(14) . . . . ?
C2 P1 N1 Si1 -28.1(3) . . . . ?
C2 P1 C1 Y1 -129.83(16) . . . . ?
C2 P1 C1 P2 92.6(9) . . . . ?
C2 P1 C8 C9 -61.1(3) . . . . ?
C2 P1 C8 C13 120.0(3) . . . . ?
C2 C3 C4 C5 0.1(7) . . . . ?
C3 C2 C7 C6 2.7(6) . . . . ?
C3 C4 C5 C6 1.0(7) . . . . ?
C4 C5 C6 C7 -0.3(7) . . . . ?
C5 C6 C7 C2 -1.6(7) . . . . ?
C7 C2 C3 C4 -1.9(6) . . . . ?
C8 P1 N1 Y1 -119.06(14) . . . . ?
C8 P1 N1 Si1 81.4(3) . . . . ?
C8 P1 C1 Y1 118.47(16) . . . . ?
C8 P1 C1 P2 -19.1(10) . . . . ?
C8 P1 C2 C3 129.5(3) . . . . ?
C8 P1 C2 C7 -49.2(3) . . . . ?
C8 C9 C10 C11 0.5(7) . . . . ?
C9 C8 C13 C12 0.1(5) . . . . ?
C9 C10 C11 C12 -0.2(7) . . . . ?
C10 C11 C12 C13 -0.1(6) . . . . ?
C11 C12 C13 C8 0.2(6) . . . . ?
C13 C8 C9 C10 -0.4(6) . . . . ?
C14 Si1 N1 Y1 -100.2(2) . . . . ?
C14 Si1 N1 P1 52.5(3) . . . . ?
C15 Si1 N1 Y1 137.2(2) . . . . ?
C15 Si1 N1 P1 -70.0(3) . . . . ?
C16 Si1 N1 Y1 17.5(2) . . . . ?
C16 Si1 N1 P1 170.3(2) . . . . ?
C17 P2 N2 Y1 129.22(14) . . . . ?
C17 P2 N2 Si2 -38.3(2) . . . . ?
C17 P2 C1 Y1 -128.65(14) . . . . ?
C17 P2 C1 P1 9.1(10) . . . . ?
C17 P2 C23 C24 -54.8(3) . . . . ?
C17 P2 C23 C28 132.5(3) . . . . ?
C17 C18 C19 C20 0.1(6) . . . . ?
C18 C17 C22 C21 1.6(5) . . . . ?
C18 C19 C20 C21 0.6(6) . . . . ?
C19 C20 C21 C22 -0.2(5) . . . . ?
C20 C21 C22 C17 -0.9(5) . . . . ?
C22 C17 C18 C19 -1.2(5) . . . . ?
C23 P2 N2 Y1 -116.27(14) . . . . ?
C23 P2 N2 Si2 76.2(2) . . . . ?
C23 P2 C1 Y1 116.21(16) . . . . ?
C23 P2 C1 P1 -106.1(9) . . . . ?
C23 P2 C17 C18 155.4(3) . . . . ?
C23 P2 C17 C22 -24.4(3) . . . . ?
C23 C24 C25 C26 -0.2(7) . . . . ?
C24 C23 C28 C27 0.1(6) . . . . ?
C24 C25 C26 C27 0.0(7) . . . . ?
C25 C26 C27 C28 0.2(7) . . . . ?
C26 C27 C28 C23 -0.3(6) . . . . ?
C28 C23 C24 C25 0.1(6) . . . . ?
C29 Si2 N2 Y1 157.7(2) . . . . ?
C29 Si2 N2 P2 -42.5(3) . . . . ?
C30 Si2 N2 Y1 -81.9(3) . . . . ?
C30 Si2 N2 P2 77.9(2) . . . . ?
C31 Si2 N2 Y1 38.9(3) . . . . ?
C31 Si2 N2 P2 -161.31(19) . . . . ?
C32 P3 N3 Y1 7.33(19) . . . . ?
C32 P3 N3 Si3 -154.8(2) . . . . ?
C32 P3 C33 C34 -141.2(3) . . . . ?
C32 P3 C33 C38 44.2(3) . . . . ?
C32 P3 C39 C40 -125.2(3) . . . . ?
C32 P3 C39 C44 59.1(3) . . . . ?
C32 P4 N4 Y1 10.78(19) . . . . ?
C32 P4 N4 Si4 -172.89(19) . . . . ?
C32 P4 C48 C49 63.0(3) . . . . ?
C32 P4 C48 C53 -122.3(3) . . . . ?
C32 P4 C54 C55 -110.6(3) . . . . ?
C32 P4 C54 C59 65.4(3) . . . . ?
C33 P3 N3 Y1 -122.09(14) . . . . ?
C33 P3 N3 Si3 75.8(3) . . . . ?
C33 P3 C32 Y1 122.29(13) . . . . ?
C33 P3 C32 P4 51.9(4) . . . . ?
C33 P3 C39 C40 -5.2(3) . . . . ?
C33 P3 C39 C44 179.2(3) . . . . ?
C33 C34 C35 C36 0.9(6) . . . . ?
C34 C33 C38 C37 -1.3(5) . . . . ?
C34 C35 C36 C37 -0.7(6) . . . . ?
C35 C36 C37 C38 -0.5(6) . . . . ?
C36 C37 C38 C33 1.5(6) . . . . ?
C38 C33 C34 C35 0.1(5) . . . . ?
C39 P3 N3 Y1 122.28(15) . . . . ?
C39 P3 N3 Si3 -39.8(3) . . . . ?
C39 P3 C32 Y1 -125.83(13) . . . . ?
C39 P3 C32 P4 163.8(3) . . . . ?
C39 P3 C33 C34 106.6(3) . . . . ?
C39 P3 C33 C38 -68.0(3) . . . . ?
C39 C40 C41 C42 -1.6(5) . . . . ?
C40 C39 C44 C43 2.5(6) . . . . ?
C40 C41 C42 C43 2.6(6) . . . . ?
C41 C42 C43 C44 -1.0(6) . . . . ?
C42 C43 C44 C39 -1.6(6) . . . . ?
C44 C39 C40 C41 -0.9(5) . . . . ?
C45 Si3 N3 Y1 -29.4(2) . . . . ?
C45 Si3 N3 P3 129.6(2) . . . . ?
C46 Si3 N3 Y1 88.4(2) . . . . ?
C46 Si3 N3 P3 -112.7(2) . . . . ?
C47 Si3 N3 Y1 -149.4(2) . . . . ?
C47 Si3 N3 P3 9.5(3) . . . . ?
C48 P4 N4 Y1 140.56(14) . . . . ?
C48 P4 N4 Si4 -43.1(2) . . . . ?
C48 P4 C32 Y1 -134.45(14) . . . . ?
C48 P4 C32 P3 -63.7(4) . . . . ?
C48 P4 C54 C55 127.2(3) . . . . ?
C48 P4 C54 C59 -56.8(3) . . . . ?
C48 C49 C50 C51 0.5(6) . . . . ?
C49 C48 C53 C52 -0.2(5) . . . . ?
C49 C50 C51 C52 -0.2(6) . . . . ?
C50 C51 C52 C53 -0.3(7) . . . . ?
C51 C52 C53 C48 0.5(6) . . . . ?
C53 C48 C49 C50 -0.3(5) . . . . ?
C54 P4 N4 Y1 -102.60(16) . . . . ?
C54 P4 N4 Si4 73.7(2) . . . . ?
C54 P4 C32 Y1 111.07(14) . . . . ?
C54 P4 C32 P3 -178.2(3) . . . . ?
C54 P4 C48 C49 175.3(3) . . . . ?
C54 P4 C48 C53 -10.0(3) . . . . ?
C54 C55 C56 C57 -0.1(6) . . . . ?
C55 C54 C59 C58 -0.2(6) . . . . ?
C55 C56 C57 C58 -0.9(6) . . . . ?
C56 C57 C58 C59 1.4(7) . . . . ?
C57 C58 C59 C54 -0.8(6) . . . . ?
C59 C54 C55 C56 0.6(6) . . . . ?
C60 Si4 N4 Y1 19.3(3) . . . . ?
C60 Si4 N4 P4 -155.9(2) . . . . ?
C61 Si4 N4 Y1 -103.4(2) . . . . ?
C61 Si4 N4 P4 81.4(3) . . . . ?
C62 Si4 N4 Y1 137.2(2) . . . . ?
C62 Si4 N4 P4 -38.1(3) . . . . ?

_shelx_SHELXL_version_number     2014/7
loop_
_exptl_crystal_face_index_h
_exptl_crystal_face_index_k
_exptl_crystal_face_index_l
_exptl_crystal_face_perp_dist
_exptl_oxdiff_crystal_face_indexfrac_h
_exptl_oxdiff_crystal_face_indexfrac_k
_exptl_oxdiff_crystal_face_indexfrac_l
_exptl_oxdiff_crystal_face_x
_exptl_oxdiff_crystal_face_y
_exptl_oxdiff_crystal_face_z
-14 1 -1 0.0378 -14.0007 0.9992 -1.0006 0.9827 0.1703 -0.0903
-1 15 5 0.0840 -0.9987 14.9979 4.9993 -0.0573 -0.8020 0.6076
13 9 0 0.0688 13.0000 9.0009 0.0006 -0.7030 -0.7138 0.1779
-13 4 13 0.0770 -12.9957 3.9943 12.9980 0.0046 0.0330 0.9843
15 -6 -1 0.0643 15.0001 -5.9983 -0.9991 -0.9836 0.0850 -0.1350
11 -5 3 0.0518 11.0015 -5.0000 3.0003 -0.9856 0.1080 0.1641
2 -1 9 0.0594 2.0033 -1.0029 8.9992 -0.7590 0.0525 0.6463
16 -1 -1 0.0476 16.0000 -0.9983 -0.9991 -0.9743 -0.2097 -0.0511
-9 14 1 0.0887 -9.0002 13.9986 0.9993 0.7157 -0.6285 0.2798
-13 11 9 0.0814 -12.9973 10.9956 8.9983 0.3812 -0.3697 0.8061
14 -1 -13 0.0914 13.9956 -0.9943 -12.9979 -0.0248 -0.2163 -0.9330
10 15 -5 0.0904 9.9979 15.0023 -4.9991 -0.0799 -1.0151 -0.0970
-15 -8 12 0.0603 -14.9957 -8.0053 11.9981 0.0251 0.7303 0.7108
-8 -15 4 0.0689 -7.9983 -15.0018 3.9993 0.0198 0.9790 0.0287
13 -3 -13 0.0974 12.9956 -2.9943 -12.9980 0.0101 -0.0887 -0.9680
2 -12 6 0.0705 2.0026 -12.0017 5.9996 -0.7155 0.6548 0.2477
-2 12 -6 0.0845 -2.0026 12.0017 -5.9996 0.7155 -0.6548 -0.2477
-19 4 11 0.0568 -18.9965 3.9945 10.9979 0.5270 0.1247 0.8238
10 0 4 0.0565 10.0017 -0.0005 4.0001 -0.9162 -0.1506 0.3163

_nottingham_internal_coll_instrument 'SN, XDA 017/09'
_olex2_exptl_crystal_mounting_method 'in fomblin film on a micromount'
_olex2_submission_special_instructions 'No special instructions were received'
####################################################################### 
# 
# This file contains crystal structure data downloaded from the 
# Cambridge Structural Database (CSD) hosted by the Cambridge 
# Crystallographic Data Centre (CCDC).
# 
# Full information about CCDC data access policies and citation 
# guidelines are available at http://www.ccdc.cam.ac.uk/access/V1 
# 
# Audit and citation data items may have been added by the CCDC. 
# Please retain this information to preserve the provenance of 
# this file and to allow appropriate attribution of the data. 
# 
#######################################################################

data_1Dy
_database_code_depnum_ccdc_archive 'CCDC 1054029'
_audit_update_record             
;
2015-03-13 deposited with the CCDC.
2015-11-23 downloaded from the CCDC.
;

_nottingham_internal_coll_name   DYMGLA
_nottingham_internal_coll_number 13131
_nottingham_internal_coll_client MG/STL
_nottingham_internal_coll_type   custom
_nottingham_internal_coll_frame_time '15.0000, 60.0000'
_nottingham_internal_coll_frame_width 1.0000
_nottingham_internal_coll_frame_method 'omega scans'
_nottingham_internal_coll_user   Service
_nottingham_internal_coll_date   19/12/2013
_nottingham_internal_coll_location NOTTS
_nottingham_internal_NCS_number  ?
_nottingham_internal_process_user pczaw
_nottingham_internal_process_date 20/12/2013
_nottingham_internal_solution_user pcxmjg
_nottingham_internal_solution_date 20/12/2013
_nottingham_internal_refinement_user pcxmjg
_nottingham_internal_refinement_date 20/12/2013
_nottingham_internal_validation_date 16/1/2015
_nottingham_internal_validation_user pczwl
_nottingham_internal_archive_date 16/1/2015

_audit_creation_date             2013-12-20
_audit_creation_method           
;
Olex2 1.2
(compiled 2013.11.15 svn.r2834 for OlexSys, GUI svn.r4720)
;
_shelxl_version_number           2013-4
_chemical_name_common            ?
_chemical_name_systematic        
;
 ?
;
_chemical_formula_moiety         'C62 H77 Dy N4 P4 Si4'
_chemical_formula_sum            'C62 H77 Dy N4 P4 Si4'
_chemical_formula_weight         1277.02
_chemical_melting_point          ?
_chemical_oxdiff_formula         'C62 H77 Dy1 N4 P4 Si4'
_chemical_oxdiff_usercomment     
'DYMGLA #13131 IN FOMBLIN FILM ON MICROMOUNT FOR MG/STL'
loop_
_atom_type_symbol
_atom_type_description
_atom_type_scat_dispersion_real
_atom_type_scat_dispersion_imag
_atom_type_scat_source
C C 0.0181 0.0091 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
H H 0.0000 0.0000 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
N N 0.0311 0.0180 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Si Si 0.2541 0.3302 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
P P 0.2955 0.4335 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Dy Dy -9.8046 9.8477 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'

_shelx_space_group_comment       
;
The symmetry employed for this shelxl refinement is uniquely defined
by the following loop, which should always be used as a source of
symmetry information in preference to the above space-group names.
They are only intended as comments.
;
_space_group_crystal_system      monoclinic
_space_group_IT_number           15
_space_group_name_H-M_alt        'C 2/c'
_space_group_name_Hall           '-C 2yc'
loop_
_space_group_symop_operation_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                   31.7145(11)
_cell_length_b                   25.7230(4)
_cell_length_c                   20.9468(7)
_cell_angle_alpha                90
_cell_angle_beta                 132.690(6)
_cell_angle_gamma                90
_cell_volume                     12560.4(11)
_cell_formula_units_Z            8
_cell_measurement_reflns_used    21121
_cell_measurement_temperature    120(2)
_cell_measurement_theta_max      74.4720
_cell_measurement_theta_min      4.2270
_shelx_estimated_absorpt_T_max   ?
_shelx_estimated_absorpt_T_min   ?
_exptl_absorpt_coefficient_mu    8.370
_exptl_absorpt_correction_T_max  0.800
_exptl_absorpt_correction_T_min  0.292
_exptl_absorpt_correction_type   gaussian
_exptl_absorpt_process_details   
;
CrysAlisPro, Agilent Technologies,
Version 1.171.36.32 (release 02-08-2013 CrysAlis171 .NET)
(compiled Aug  2 2013,16:46:58)
Numerical absorption correction based on gaussian integration over
			a multifaceted crystal model
;
_exptl_crystal_colour            'clear colourless'
_exptl_crystal_colour_lustre     clear
_exptl_crystal_colour_primary    colourless
_exptl_crystal_density_diffrn    1.351
_exptl_crystal_density_meas      ?
_exptl_crystal_density_method    ?
_exptl_crystal_F_000             5272
_exptl_crystal_size_max          0.202
_exptl_crystal_size_mid          0.123
_exptl_crystal_size_min          0.0393
_exptl_special_details           
;
 ?
;
_exptl_transmission_factor_max   ?
_exptl_transmission_factor_min   ?
_diffrn_reflns_av_R_equivalents  0.0313
_diffrn_reflns_av_unetI/netI     0.0260
_diffrn_reflns_Laue_measured_fraction_full 0.999
_diffrn_reflns_Laue_measured_fraction_max 0.970
_diffrn_reflns_limit_h_max       39
_diffrn_reflns_limit_h_min       -28
_diffrn_reflns_limit_k_max       31
_diffrn_reflns_limit_k_min       -29
_diffrn_reflns_limit_l_max       21
_diffrn_reflns_limit_l_min       -26
_diffrn_reflns_number            37587
_diffrn_reflns_point_group_measured_fraction_full 0.999
_diffrn_reflns_point_group_measured_fraction_max 0.970
_diffrn_reflns_theta_full        67.684
_diffrn_reflns_theta_max         74.629
_diffrn_reflns_theta_min         3.792
_diffrn_ambient_temperature      120(2)
_diffrn_detector_area_resol_mean 10.3613
_diffrn_measured_fraction_theta_full 0.999
_diffrn_measured_fraction_theta_max 0.970
_diffrn_measurement_device_type  'SuperNova, Dual, Cu at zero, Atlas'
_diffrn_measurement_method       'ω scans'
_diffrn_orient_matrix_UB_11      0.0653399000
_diffrn_orient_matrix_UB_12      -0.0088132000
_diffrn_orient_matrix_UB_13      0.0688188000
_diffrn_orient_matrix_UB_21      -0.0053739000
_diffrn_orient_matrix_UB_22      -0.0396458000
_diffrn_orient_matrix_UB_23      -0.0603202000
_diffrn_orient_matrix_UB_31      0.0083343000
_diffrn_orient_matrix_UB_32      0.0440496000
_diffrn_orient_matrix_UB_33      -0.0404158000
_diffrn_radiation_monochromator  mirror
_diffrn_radiation_type           CuK\a
_diffrn_radiation_wavelength     1.54184
_diffrn_source                   'SuperNova (Cu) X-ray Source'
_reflns_Friedel_coverage         0.000
_reflns_Friedel_fraction_full    .
_reflns_Friedel_fraction_max     .
_reflns_number_gt                12055
_reflns_number_total             12499
_reflns_odcompleteness_completeness 99.89
_reflns_odcompleteness_iscentric 1
_reflns_odcompleteness_theta     67.13
_reflns_special_details          
;
 Reflections were merged by SHELXL according to the crystal
 class for the calculation of statistics and refinement.
 
 _reflns_Friedel_fraction is defined as the number of unique
 Friedel pairs measured divided by the number that would be
 possible theoretically, ignoring centric projections and
 systematic absences.
;
_reflns_threshold_expression     'I > 2σ(I)'
_computing_cell_refinement       
;
CrysAlisPro, Agilent Technologies,
Version 1.171.36.32 (release 02-08-2013 CrysAlis171 .NET)
(compiled Aug  2 2013,16:46:58)
;
_computing_data_collection       
;
CrysAlisPro, Agilent Technologies,
Version 1.171.36.32 (release 02-08-2013 CrysAlis171 .NET)
(compiled Aug  2 2013,16:46:58)
;
_computing_data_reduction        
;
CrysAlisPro, Agilent Technologies,
Version 1.171.36.32 (release 02-08-2013 CrysAlis171 .NET)
(compiled Aug  2 2013,16:46:58)
;
_computing_molecular_graphics    
;
O. V. Dolomanov, L. J. Bourhis, R. J. Gildea, J. A. K. Howard and H. Puschmann,
OLEX2: a complete structure solution, refinement and analysis program.
J. Appl. Cryst. (2009). 42, 339-341.
;
_computing_publication_material  
;
O. V. Dolomanov, L. J. Bourhis, R. J. Gildea, J. A. K. Howard and H. Puschmann,
OLEX2: a complete structure solution, refinement and analysis program.
J. Appl. Cryst. (2009). 42, 339-341.
;
_computing_structure_refinement  
;
SHELXL, G.M. Sheldrick, Acta Cryst.
(2008). A64, 112-122
;
_computing_structure_solution    
;
SHELXS, G.M. Sheldrick, Acta Cryst.
(2008). A64, 112-122
;
_refine_diff_density_max         0.656
_refine_diff_density_min         -1.205
_refine_diff_density_rms         0.061
_refine_ls_extinction_coef       .
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.037
_refine_ls_hydrogen_treatment    mixed
_refine_ls_matrix_type           full
_refine_ls_number_parameters     688
_refine_ls_number_reflns         12499
_refine_ls_number_restraints     0
_refine_ls_R_factor_all          0.0257
_refine_ls_R_factor_gt           0.0245
_refine_ls_restrained_S_all      1.037
_refine_ls_shift/su_max          0.003
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details     
'w=1/[σ²(Fo²)+(0.0379P)²+9.2287P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0640
_refine_ls_wR_factor_ref         0.0650
_refine_special_details          
;
 ?
;
_olex2_refinement_description    
;
1. Fixed Uiso
 At 1.2 times of:
  All C(H) groups
 At 1.5 times of:
  All C(H,H,H) groups
2.a Ternary CH refined with riding coordinates:
 C32(H32)
2.b Aromatic/amide H refined with riding coordinates:
 C3(H3), C4(H4), C5(H5), C6(H6), C7(H7), C9(H9), C10(H10), C11(H11), C12(H12),
 C13(H13), C18(H18), C19(H19), C20(H20), C21(H21), C22(H22), C24(H24), C25(H25),
  C26(H26), C27(H27), C28(H28), C34(H34), C35(H35), C36(H36), C37(H37),
 C38(H38), C40(H40), C41(H41), C42(H42), C43(H43), C44(H44), C49(H49), C50(H50),
  C51(H51), C52(H52), C53(H53), C55(H55), C56(H56), C57(H57), C58(H58), C59(H59)
2.c Idealised Me refined as rotating group:
 C14(H14A,H14B,H14C), C15(H15A,H15B,H15C), C16(H16A,H16B,H16C), C29(H29A,H29B,
 H29C), C30(H30A,H30B,H30C), C31(H31A,H31B,H31C), C45(H45A,H45B,H45C), C46(H46A,
 H46B,H46C), C47(H47A,H47B,H47C), C60(H60A,H60B,H60C), C61(H61A,H61B,H61C),
 C62(H62A,H62B,H62C)
;
_atom_sites_solution_hydrogens   geom
_atom_sites_solution_primary     direct
_atom_sites_solution_secondary   difmap
loop_
_atom_site_label
_atom_site_type_symbol
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_U_iso_or_equiv
_atom_site_adp_type
_atom_site_occupancy
_atom_site_site_symmetry_order
_atom_site_calc_flag
_atom_site_refinement_flags_posn
_atom_site_refinement_flags_adp
_atom_site_refinement_flags_occupancy
_atom_site_disorder_assembly
_atom_site_disorder_group
C1 C 0.33030(7) 0.59525(7) 0.84446(11) 0.0168(3) Uani 1 1 d . . . . .
C2 C 0.41848(7) 0.66383(7) 0.88231(11) 0.0173(4) Uani 1 1 d . . . . .
C3 C 0.41883(8) 0.63689(8) 0.82507(12) 0.0223(4) Uani 1 1 d . . . . .
H3 H 0.3880 0.6142 0.7834 0.027 Uiso 1 1 calc R . . . .
C4 C 0.46368(9) 0.64272(9) 0.82808(14) 0.0280(4) Uani 1 1 d . . . . .
H4 H 0.4633 0.6242 0.7885 0.034 Uiso 1 1 calc R . . . .
C5 C 0.50893(9) 0.67558(9) 0.88883(15) 0.0293(5) Uani 1 1 d . . . . .
H5 H 0.5395 0.6798 0.8906 0.035 Uiso 1 1 calc R . . . .
C6 C 0.50962(8) 0.70219(8) 0.94682(14) 0.0280(4) Uani 1 1 d . . . . .
H6 H 0.5407 0.7247 0.9886 0.034 Uiso 1 1 calc R . . . .
C7 C 0.46489(8) 0.69617(8) 0.94424(13) 0.0232(4) Uani 1 1 d . . . . .
H7 H 0.4659 0.7142 0.9849 0.028 Uiso 1 1 calc R . . . .
C8 C 0.38540(8) 0.66981(7) 0.97980(12) 0.0185(4) Uani 1 1 d . . . . .
C9 C 0.43409(9) 0.64409(9) 1.05162(13) 0.0275(4) Uani 1 1 d . . . . .
H9 H 0.4544 0.6215 1.0446 0.033 Uiso 1 1 calc R . . . .
C10 C 0.45328(10) 0.65104(10) 1.13325(14) 0.0374(5) Uani 1 1 d . . . . .
H10 H 0.4867 0.6334 1.1819 0.045 Uiso 1 1 calc R . . . .
C11 C 0.42373(11) 0.68375(10) 1.14429(14) 0.0382(5) Uani 1 1 d . . . . .
H11 H 0.4368 0.6885 1.2003 0.046 Uiso 1 1 calc R . . . .
C12 C 0.37519(10) 0.70936(10) 1.07327(14) 0.0323(5) Uani 1 1 d . . . . .
H12 H 0.3547 0.7317 1.0804 0.039 Uiso 1 1 calc R . . . .
C13 C 0.35629(8) 0.70248(8) 0.99147(13) 0.0232(4) Uani 1 1 d . . . . .
H13 H 0.3230 0.7204 0.9430 0.028 Uiso 1 1 calc R . . . .
C14 C 0.36517(9) 0.79491(8) 0.88615(13) 0.0277(4) Uani 1 1 d . . . . .
H14A H 0.3530 0.7973 0.9183 0.042 Uiso 1 1 calc GR . . . .
H14B H 0.3688 0.8299 0.8719 0.042 Uiso 1 1 calc GR . . . .
H14C H 0.4023 0.7771 0.9219 0.042 Uiso 1 1 calc GR . . . .
C15 C 0.33197(9) 0.76186(8) 0.71945(14) 0.0263(4) Uani 1 1 d . . . . .
H15A H 0.3710 0.7483 0.7543 0.039 Uiso 1 1 calc GR . . . .
H15B H 0.3308 0.7983 0.7046 0.039 Uiso 1 1 calc GR . . . .
H15C H 0.3054 0.7414 0.6661 0.039 Uiso 1 1 calc GR . . . .
C16 C 0.24272(8) 0.79529(8) 0.72376(12) 0.0205(4) Uani 1 1 d . . . . .
H16A H 0.2107 0.7762 0.6717 0.031 Uiso 1 1 calc GR . . . .
H16B H 0.2467 0.8291 0.7068 0.031 Uiso 1 1 calc GR . . . .
H16C H 0.2352 0.8005 0.7616 0.031 Uiso 1 1 calc GR . . . .
C17 C 0.36414(8) 0.50707(7) 0.80021(13) 0.0207(4) Uani 1 1 d . . . . .
C18 C 0.42378(9) 0.51022(10) 0.86623(15) 0.0331(5) Uani 1 1 d . . . . .
H18 H 0.4407 0.5250 0.9206 0.040 Uiso 1 1 calc R . . . .
C19 C 0.45859(10) 0.49200(11) 0.85326(18) 0.0428(6) Uani 1 1 d . . . . .
H19 H 0.4991 0.4943 0.8987 0.051 Uiso 1 1 calc R . . . .
C20 C 0.43442(12) 0.47045(10) 0.77429(19) 0.0418(6) Uani 1 1 d . . . . .
H20 H 0.4583 0.4581 0.7654 0.050 Uiso 1 1 calc R . . . .
C21 C 0.37552(12) 0.46695(9) 0.70843(17) 0.0361(5) Uani 1 1 d . . . . .
H21 H 0.3589 0.4519 0.6543 0.043 Uiso 1 1 calc R . . . .
C22 C 0.34037(10) 0.48540(8) 0.72122(14) 0.0263(4) Uani 1 1 d . . . . .
H22 H 0.2999 0.4831 0.6755 0.032 Uiso 1 1 calc R . . . .
C23 C 0.34884(7) 0.49021(8) 0.91347(12) 0.0190(4) Uani 1 1 d . . . . .
C24 C 0.36885(8) 0.51055(9) 0.99098(13) 0.0249(4) Uani 1 1 d . . . . .
H24 H 0.3686 0.5471 0.9973 0.030 Uiso 1 1 calc R . . . .
C25 C 0.38931(10) 0.47774(11) 1.05973(15) 0.0360(5) Uani 1 1 d . . . . .
H25 H 0.4032 0.4920 1.1129 0.043 Uiso 1 1 calc R . . . .
C26 C 0.38952(10) 0.42447(10) 1.05087(16) 0.0376(6) Uani 1 1 d . . . . .
H26 H 0.4026 0.4022 1.0974 0.045 Uiso 1 1 calc R . . . .
C27 C 0.37069(10) 0.40369(9) 0.97447(16) 0.0346(5) Uani 1 1 d . . . . .
H27 H 0.3712 0.3671 0.9686 0.041 Uiso 1 1 calc R . . . .
C28 C 0.35113(9) 0.43624(8) 0.90657(14) 0.0267(4) Uani 1 1 d . . . . .
H28 H 0.3391 0.4219 0.8546 0.032 Uiso 1 1 calc R . . . .
C29 C 0.20855(9) 0.44369(8) 0.78756(14) 0.0265(4) Uani 1 1 d . . . . .
H29A H 0.2452 0.4255 0.8308 0.040 Uiso 1 1 calc GR . . . .
H29B H 0.1769 0.4188 0.7590 0.040 Uiso 1 1 calc GR . . . .
H29C H 0.2046 0.4706 0.8164 0.040 Uiso 1 1 calc GR . . . .
C30 C 0.21571(10) 0.42000(8) 0.65524(15) 0.0299(5) Uani 1 1 d . . . . .
H30A H 0.2105 0.4332 0.6064 0.045 Uiso 1 1 calc GR . . . .
H30B H 0.1871 0.3930 0.6346 0.045 Uiso 1 1 calc GR . . . .
H30C H 0.2543 0.4053 0.6992 0.045 Uiso 1 1 calc GR . . . .
C31 C 0.13232(9) 0.50133(9) 0.61782(13) 0.0282(4) Uani 1 1 d . . . . .
H31A H 0.1290 0.5343 0.6375 0.042 Uiso 1 1 calc GR . . . .
H31B H 0.1044 0.4765 0.6062 0.042 Uiso 1 1 calc GR . . . .
H31C H 0.1247 0.5071 0.5646 0.042 Uiso 1 1 calc GR . . . .
C32 C 0.13596(7) 0.68865(7) 0.61330(11) 0.0162(3) Uani 1 1 d . . . . .
H32 H 0.1482 0.7255 0.6190 0.019 Uiso 1 1 calc R . . . .
C33 C 0.14724(8) 0.73739(7) 0.74156(12) 0.0188(4) Uani 1 1 d . . . . .
C34 C 0.19850(8) 0.74206(8) 0.82762(13) 0.0224(4) Uani 1 1 d . . . . .
H34 H 0.2225 0.7125 0.8577 0.027 Uiso 1 1 calc R . . . .
C35 C 0.21487(10) 0.78984(9) 0.86996(15) 0.0316(5) Uani 1 1 d . . . . .
H35 H 0.2499 0.7927 0.9288 0.038 Uiso 1 1 calc R . . . .
C36 C 0.18053(11) 0.83285(9) 0.82684(17) 0.0363(5) Uani 1 1 d . . . . .
H36 H 0.1916 0.8652 0.8563 0.044 Uiso 1 1 calc R . . . .
C37 C 0.12979(11) 0.82909(9) 0.74051(17) 0.0350(5) Uani 1 1 d . . . . .
H37 H 0.1065 0.8590 0.7105 0.042 Uiso 1 1 calc R . . . .
C38 C 0.11302(9) 0.78162(8) 0.69792(14) 0.0263(4) Uani 1 1 d . . . . .
H38 H 0.0782 0.7791 0.6389 0.032 Uiso 1 1 calc R . . . .
C39 C 0.05800(8) 0.65924(8) 0.64223(12) 0.0189(4) Uani 1 1 d . . . . .
C40 C 0.02967(9) 0.68671(9) 0.66079(14) 0.0294(5) Uani 1 1 d . . . . .
H40 H 0.0467 0.7172 0.6955 0.035 Uiso 1 1 calc R . . . .
C41 C -0.02331(10) 0.67004(11) 0.62900(17) 0.0403(6) Uani 1 1 d . . . . .
H41 H -0.0424 0.6894 0.6416 0.048 Uiso 1 1 calc R . . . .
C42 C -0.04806(10) 0.62583(11) 0.57954(16) 0.0400(6) Uani 1 1 d . . . . .
H42 H -0.0840 0.6143 0.5585 0.048 Uiso 1 1 calc R . . . .
C43 C -0.02052(9) 0.59796(10) 0.56023(14) 0.0346(5) Uani 1 1 d . . . . .
H43 H -0.0377 0.5674 0.5257 0.041 Uiso 1 1 calc R . . . .
C44 C 0.03206(9) 0.61454(8) 0.59114(14) 0.0256(4) Uani 1 1 d . . . . .
H44 H 0.0507 0.5953 0.5775 0.031 Uiso 1 1 calc R . . . .
C45 C 0.16051(11) 0.64531(10) 0.88413(15) 0.0331(5) Uani 1 1 d . . . . .
H45A H 0.1905 0.6719 0.9171 0.050 Uiso 1 1 calc GR . . . .
H45B H 0.1603 0.6253 0.9237 0.050 Uiso 1 1 calc GR . . . .
H45C H 0.1231 0.6621 0.8399 0.050 Uiso 1 1 calc GR . . . .
C46 C 0.12014(9) 0.54804(9) 0.78102(14) 0.0307(5) Uani 1 1 d . . . . .
H46A H 0.0823 0.5636 0.7495 0.046 Uiso 1 1 calc GR . . . .
H46B H 0.1300 0.5254 0.8271 0.046 Uiso 1 1 calc GR . . . .
H46C H 0.1193 0.5276 0.7407 0.046 Uiso 1 1 calc GR . . . .
C47 C 0.24864(9) 0.57487(9) 0.91699(14) 0.0294(5) Uani 1 1 d . . . . .
H47A H 0.2563 0.5478 0.8929 0.044 Uiso 1 1 calc GR . . . .
H47B H 0.2521 0.5600 0.9635 0.044 Uiso 1 1 calc GR . . . .
H47C H 0.2765 0.6031 0.9405 0.044 Uiso 1 1 calc GR . . . .
C48 C 0.12334(8) 0.70912(7) 0.46934(11) 0.0157(3) Uani 1 1 d . . . . .
C49 C 0.17092(9) 0.74157(8) 0.51357(13) 0.0255(4) Uani 1 1 d . . . . .
H49 H 0.2027 0.7363 0.5738 0.031 Uiso 1 1 calc R . . . .
C50 C 0.17258(10) 0.78155(9) 0.47088(14) 0.0298(5) Uani 1 1 d . . . . .
H50 H 0.2047 0.8042 0.5021 0.036 Uiso 1 1 calc R . . . .
C51 C 0.12699(9) 0.78823(8) 0.38225(13) 0.0235(4) Uani 1 1 d . . . . .
H51 H 0.1278 0.8156 0.3526 0.028 Uiso 1 1 calc R . . . .
C52 C 0.08071(8) 0.75518(8) 0.33733(13) 0.0227(4) Uani 1 1 d . . . . .
H52 H 0.0502 0.7592 0.2764 0.027 Uiso 1 1 calc R . . . .
C53 C 0.07813(8) 0.71587(8) 0.38019(12) 0.0197(4) Uani 1 1 d . . . . .
H53 H 0.0456 0.6937 0.3488 0.024 Uiso 1 1 calc R . . . .
C54 C 0.05727(8) 0.62506(7) 0.45142(12) 0.0167(4) Uani 1 1 d . . . . .
C55 C 0.00724(8) 0.65069(8) 0.41815(13) 0.0227(4) Uani 1 1 d . . . . .
H55 H 0.0094 0.6834 0.4413 0.027 Uiso 1 1 calc R . . . .
C56 C -0.04597(9) 0.62840(9) 0.35100(14) 0.0285(5) Uani 1 1 d . . . . .
H56 H -0.0801 0.6463 0.3275 0.034 Uiso 1 1 calc R . . . .
C57 C -0.04935(8) 0.58023(9) 0.31831(14) 0.0297(5) Uani 1 1 d . . . . .
H57 H -0.0858 0.5651 0.2726 0.036 Uiso 1 1 calc R . . . .
C58 C 0.00025(9) 0.55411(9) 0.35212(14) 0.0305(5) Uani 1 1 d . . . . .
H58 H -0.0020 0.5209 0.3303 0.037 Uiso 1 1 calc R . . . .
C59 C 0.05351(8) 0.57686(8) 0.41838(13) 0.0228(4) Uani 1 1 d . . . . .
H59 H 0.0875 0.5591 0.4411 0.027 Uiso 1 1 calc R . . . .
C60 C 0.19308(9) 0.52364(8) 0.50510(14) 0.0272(4) Uani 1 1 d . . . . .
H60A H 0.2188 0.5099 0.4986 0.041 Uiso 1 1 calc GR . . . .
H60B H 0.1532 0.5169 0.4519 0.041 Uiso 1 1 calc GR . . . .
H60C H 0.2012 0.5066 0.5543 0.041 Uiso 1 1 calc GR . . . .
C61 C 0.28308(9) 0.60742(9) 0.60635(14) 0.0266(4) Uani 1 1 d . . . . .
H61A H 0.2902 0.6449 0.6171 0.040 Uiso 1 1 calc GR . . . .
H61B H 0.3001 0.5943 0.5841 0.040 Uiso 1 1 calc GR . . . .
H61C H 0.3005 0.5896 0.6607 0.040 Uiso 1 1 calc GR . . . .
C62 C 0.17321(11) 0.62599(10) 0.42001(15) 0.0346(5) Uani 1 1 d . . . . .
H62A H 0.1828 0.6631 0.4293 0.052 Uiso 1 1 calc GR . . . .
H62B H 0.1314 0.6219 0.3777 0.052 Uiso 1 1 calc GR . . . .
H62C H 0.1889 0.6092 0.3980 0.052 Uiso 1 1 calc GR . . . .
N1 N 0.25281(7) 0.52567(6) 0.74080(10) 0.0164(3) Uani 1 1 d . . . . .
N2 N 0.30344(6) 0.69301(6) 0.79930(9) 0.0146(3) Uani 1 1 d . . . . .
N3 N 0.17880(6) 0.61815(5) 0.57105(10) 0.0143(3) Uani 1 1 d . . . . .
N4 N 0.17362(6) 0.63015(6) 0.75334(10) 0.0152(3) Uani 1 1 d . . . . .
Si1 Si 0.20647(2) 0.47467(2) 0.70414(3) 0.01862(10) Uani 1 1 d . . . . .
Si2 Si 0.31045(2) 0.75722(2) 0.78323(3) 0.01506(9) Uani 1 1 d . . . . .
Si3 Si 0.20456(2) 0.59516(2) 0.52510(3) 0.01704(10) Uani 1 1 d . . . . .
Si4 Si 0.17501(2) 0.60062(2) 0.83002(3) 0.01720(10) Uani 1 1 d . . . . .
P1 P 0.32123(2) 0.53265(2) 0.82226(3) 0.01463(9) Uani 1 1 d . . . . .
P2 P 0.35661(2) 0.65453(2) 0.87142(3) 0.01377(9) Uani 1 1 d . . . . .
P3 P 0.12627(2) 0.65691(2) 0.53096(3) 0.01289(9) Uani 1 1 d . . . . .
P4 P 0.12970(2) 0.67521(2) 0.68726(3) 0.01327(9) Uani 1 1 d . . . . .
Dy1 Dy 0.23469(2) 0.62059(2) 0.72512(2) 0.01193(4) Uani 1 1 d . . . . .


_geom_special_details            
;
 All esds (except the esd in the dihedral angle between two l.s. planes)
 are estimated using the full covariance matrix.  The cell esds are taken
 into account individually in the estimation of esds in distances, angles
 and torsion angles; correlations between esds in cell parameters are only
 used when they are defined by crystal symmetry.  An approximate (isotropic)
 treatment of cell esds is used for estimating esds involving l.s. planes.
;
loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_site_symmetry_2
_geom_bond_publ_flag
C1 P1 1.6464(19) . ?
C1 P2 1.6437(19) . ?
C1 Dy1 2.3640(17) . ?
C2 C3 1.391(3) . ?
C2 C7 1.397(3) . ?
C2 P2 1.8311(18) . ?
C3 H3 0.9500 . ?
C3 C4 1.388(3) . ?
C4 H4 0.9500 . ?
C4 C5 1.385(3) . ?
C5 H5 0.9500 . ?
C5 C6 1.382(3) . ?
C6 H6 0.9500 . ?
C6 C7 1.391(3) . ?
C7 H7 0.9500 . ?
C8 C9 1.391(3) . ?
C8 C13 1.387(3) . ?
C8 P2 1.8252(19) . ?
C9 H9 0.9500 . ?
C9 C10 1.384(3) . ?
C10 H10 0.9500 . ?
C10 C11 1.391(4) . ?
C11 H11 0.9500 . ?
C11 C12 1.382(3) . ?
C12 H12 0.9500 . ?
C12 C13 1.391(3) . ?
C13 H13 0.9500 . ?
C14 H14A 0.9800 . ?
C14 H14B 0.9800 . ?
C14 H14C 0.9800 . ?
C14 Si2 1.878(2) . ?
C15 H15A 0.9800 . ?
C15 H15B 0.9800 . ?
C15 H15C 0.9800 . ?
C15 Si2 1.871(2) . ?
C16 H16A 0.9800 . ?
C16 H16B 0.9800 . ?
C16 H16C 0.9800 . ?
C16 Si2 1.870(2) . ?
C17 C18 1.396(3) . ?
C17 C22 1.388(3) . ?
C17 P1 1.8303(19) . ?
C18 H18 0.9500 . ?
C18 C19 1.385(3) . ?
C19 H19 0.9500 . ?
C19 C20 1.383(4) . ?
C20 H20 0.9500 . ?
C20 C21 1.380(4) . ?
C21 H21 0.9500 . ?
C21 C22 1.394(3) . ?
C22 H22 0.9500 . ?
C23 C24 1.384(3) . ?
C23 C28 1.403(3) . ?
C23 P1 1.8276(19) . ?
C24 H24 0.9500 . ?
C24 C25 1.393(3) . ?
C25 H25 0.9500 . ?
C25 C26 1.383(4) . ?
C26 H26 0.9500 . ?
C26 C27 1.381(4) . ?
C27 H27 0.9500 . ?
C27 C28 1.383(3) . ?
C28 H28 0.9500 . ?
C29 H29A 0.9800 . ?
C29 H29B 0.9800 . ?
C29 H29C 0.9800 . ?
C29 Si1 1.880(2) . ?
C30 H30A 0.9800 . ?
C30 H30B 0.9800 . ?
C30 H30C 0.9800 . ?
C30 Si1 1.876(2) . ?
C31 H31A 0.9800 . ?
C31 H31B 0.9800 . ?
C31 H31C 0.9800 . ?
C31 Si1 1.872(2) . ?
C32 H32 1.0000 . ?
C32 P3 1.7369(18) . ?
C32 P4 1.7251(18) . ?
C32 Dy1 2.9001(18) . ?
C33 C34 1.390(3) . ?
C33 C38 1.401(3) . ?
C33 P4 1.8176(19) . ?
C34 H34 0.9500 . ?
C34 C35 1.394(3) . ?
C35 H35 0.9500 . ?
C35 C36 1.375(4) . ?
C36 H36 0.9500 . ?
C36 C37 1.387(4) . ?
C37 H37 0.9500 . ?
C37 C38 1.388(3) . ?
C38 H38 0.9500 . ?
C39 C40 1.390(3) . ?
C39 C44 1.397(3) . ?
C39 P4 1.8223(18) . ?
C40 H40 0.9500 . ?
C40 C41 1.390(3) . ?
C41 H41 0.9500 . ?
C41 C42 1.371(4) . ?
C42 H42 0.9500 . ?
C42 C43 1.385(4) . ?
C43 H43 0.9500 . ?
C43 C44 1.385(3) . ?
C44 H44 0.9500 . ?
C45 H45A 0.9800 . ?
C45 H45B 0.9800 . ?
C45 H45C 0.9800 . ?
C45 Si4 1.877(2) . ?
C46 H46A 0.9800 . ?
C46 H46B 0.9800 . ?
C46 H46C 0.9800 . ?
C46 Si4 1.868(2) . ?
C47 H47A 0.9800 . ?
C47 H47B 0.9800 . ?
C47 H47C 0.9800 . ?
C47 Si4 1.855(2) . ?
C48 C49 1.391(3) . ?
C48 C53 1.394(3) . ?
C48 P3 1.8210(19) . ?
C49 H49 0.9500 . ?
C49 C50 1.387(3) . ?
C50 H50 0.9500 . ?
C50 C51 1.388(3) . ?
C51 H51 0.9500 . ?
C51 C52 1.375(3) . ?
C52 H52 0.9500 . ?
C52 C53 1.391(3) . ?
C53 H53 0.9500 . ?
C54 C55 1.392(3) . ?
C54 C59 1.385(3) . ?
C54 P3 1.8143(19) . ?
C55 H55 0.9500 . ?
C55 C56 1.391(3) . ?
C56 H56 0.9500 . ?
C56 C57 1.384(3) . ?
C57 H57 0.9500 . ?
C57 C58 1.385(3) . ?
C58 H58 0.9500 . ?
C58 C59 1.394(3) . ?
C59 H59 0.9500 . ?
C60 H60A 0.9800 . ?
C60 H60B 0.9800 . ?
C60 H60C 0.9800 . ?
C60 Si3 1.867(2) . ?
C61 H61A 0.9800 . ?
C61 H61B 0.9800 . ?
C61 H61C 0.9800 . ?
C61 Si3 1.857(2) . ?
C62 H62A 0.9800 . ?
C62 H62B 0.9800 . ?
C62 H62C 0.9800 . ?
C62 Si3 1.869(2) . ?
N1 Si1 1.7147(16) . ?
N1 P1 1.6222(16) . ?
N1 Dy1 2.4786(15) . ?
N2 Si2 1.7298(16) . ?
N2 P2 1.6281(15) . ?
N2 Dy1 2.4587(15) . ?
N3 Si3 1.7350(16) . ?
N3 P3 1.6055(15) . ?
N3 Dy1 2.4092(15) . ?
N4 Si4 1.7502(16) . ?
N4 P4 1.6077(15) . ?
N4 Dy1 2.3903(15) . ?

loop_
_geom_angle_atom_site_label_1
_geom_angle_atom_site_label_2
_geom_angle_atom_site_label_3
_geom_angle
_geom_angle_site_symmetry_1
_geom_angle_site_symmetry_3
_geom_angle_publ_flag
P1 C1 Dy1 96.77(8) . . ?
P2 C1 P1 162.79(12) . . ?
P2 C1 Dy1 95.50(8) . . ?
C3 C2 C7 118.54(17) . . ?
C3 C2 P2 117.49(14) . . ?
C7 C2 P2 123.97(15) . . ?
C2 C3 H3 119.6 . . ?
C4 C3 C2 120.90(19) . . ?
C4 C3 H3 119.6 . . ?
C3 C4 H4 120.0 . . ?
C5 C4 C3 119.9(2) . . ?
C5 C4 H4 120.0 . . ?
C4 C5 H5 120.0 . . ?
C6 C5 C4 119.94(18) . . ?
C6 C5 H5 120.0 . . ?
C5 C6 H6 119.9 . . ?
C5 C6 C7 120.19(19) . . ?
C7 C6 H6 119.9 . . ?
C2 C7 H7 119.8 . . ?
C6 C7 C2 120.46(19) . . ?
C6 C7 H7 119.8 . . ?
C9 C8 P2 119.67(15) . . ?
C13 C8 C9 118.75(18) . . ?
C13 C8 P2 121.21(14) . . ?
C8 C9 H9 119.6 . . ?
C10 C9 C8 120.7(2) . . ?
C10 C9 H9 119.6 . . ?
C9 C10 H10 119.9 . . ?
C9 C10 C11 120.1(2) . . ?
C11 C10 H10 119.9 . . ?
C10 C11 H11 120.2 . . ?
C12 C11 C10 119.6(2) . . ?
C12 C11 H11 120.2 . . ?
C11 C12 H12 120.0 . . ?
C11 C12 C13 120.0(2) . . ?
C13 C12 H12 120.0 . . ?
C8 C13 C12 120.79(19) . . ?
C8 C13 H13 119.6 . . ?
C12 C13 H13 119.6 . . ?
H14A C14 H14B 109.5 . . ?
H14A C14 H14C 109.5 . . ?
H14B C14 H14C 109.5 . . ?
Si2 C14 H14A 109.5 . . ?
Si2 C14 H14B 109.5 . . ?
Si2 C14 H14C 109.5 . . ?
H15A C15 H15B 109.5 . . ?
H15A C15 H15C 109.5 . . ?
H15B C15 H15C 109.5 . . ?
Si2 C15 H15A 109.5 . . ?
Si2 C15 H15B 109.5 . . ?
Si2 C15 H15C 109.5 . . ?
H16A C16 H16B 109.5 . . ?
H16A C16 H16C 109.5 . . ?
H16B C16 H16C 109.5 . . ?
Si2 C16 H16A 109.5 . . ?
Si2 C16 H16B 109.5 . . ?
Si2 C16 H16C 109.5 . . ?
C18 C17 P1 117.97(16) . . ?
C22 C17 C18 118.69(19) . . ?
C22 C17 P1 123.33(15) . . ?
C17 C18 H18 119.6 . . ?
C19 C18 C17 120.7(2) . . ?
C19 C18 H18 119.6 . . ?
C18 C19 H19 120.0 . . ?
C20 C19 C18 120.1(2) . . ?
C20 C19 H19 120.0 . . ?
C19 C20 H20 120.0 . . ?
C21 C20 C19 119.9(2) . . ?
C21 C20 H20 120.0 . . ?
C20 C21 H21 119.9 . . ?
C20 C21 C22 120.1(2) . . ?
C22 C21 H21 119.9 . . ?
C17 C22 C21 120.5(2) . . ?
C17 C22 H22 119.8 . . ?
C21 C22 H22 119.8 . . ?
C24 C23 C28 118.71(18) . . ?
C24 C23 P1 120.95(15) . . ?
C28 C23 P1 120.33(15) . . ?
C23 C24 H24 119.8 . . ?
C23 C24 C25 120.4(2) . . ?
C25 C24 H24 119.8 . . ?
C24 C25 H25 119.9 . . ?
C26 C25 C24 120.2(2) . . ?
C26 C25 H25 119.9 . . ?
C25 C26 H26 120.0 . . ?
C27 C26 C25 120.1(2) . . ?
C27 C26 H26 120.0 . . ?
C26 C27 H27 120.1 . . ?
C26 C27 C28 119.8(2) . . ?
C28 C27 H27 120.1 . . ?
C23 C28 H28 119.6 . . ?
C27 C28 C23 120.8(2) . . ?
C27 C28 H28 119.6 . . ?
H29A C29 H29B 109.5 . . ?
H29A C29 H29C 109.5 . . ?
H29B C29 H29C 109.5 . . ?
Si1 C29 H29A 109.5 . . ?
Si1 C29 H29B 109.5 . . ?
Si1 C29 H29C 109.5 . . ?
H30A C30 H30B 109.5 . . ?
H30A C30 H30C 109.5 . . ?
H30B C30 H30C 109.5 . . ?
Si1 C30 H30A 109.5 . . ?
Si1 C30 H30B 109.5 . . ?
Si1 C30 H30C 109.5 . . ?
H31A C31 H31B 109.5 . . ?
H31A C31 H31C 109.5 . . ?
H31B C31 H31C 109.5 . . ?
Si1 C31 H31A 109.5 . . ?
Si1 C31 H31B 109.5 . . ?
Si1 C31 H31C 109.5 . . ?
P3 C32 H32 110.8 . . ?
P3 C32 Dy1 83.42(7) . . ?
P4 C32 H32 110.8 . . ?
P4 C32 P3 138.32(12) . . ?
P4 C32 Dy1 82.66(7) . . ?
Dy1 C32 H32 110.8 . . ?
C34 C33 C38 118.91(19) . . ?
C34 C33 P4 118.69(15) . . ?
C38 C33 P4 122.24(15) . . ?
C33 C34 H34 119.8 . . ?
C33 C34 C35 120.3(2) . . ?
C35 C34 H34 119.8 . . ?
C34 C35 H35 119.9 . . ?
C36 C35 C34 120.3(2) . . ?
C36 C35 H35 119.9 . . ?
C35 C36 H36 119.9 . . ?
C35 C36 C37 120.1(2) . . ?
C37 C36 H36 119.9 . . ?
C36 C37 H37 120.0 . . ?
C36 C37 C38 120.0(2) . . ?
C38 C37 H37 120.0 . . ?
C33 C38 H38 119.8 . . ?
C37 C38 C33 120.4(2) . . ?
C37 C38 H38 119.8 . . ?
C40 C39 C44 118.45(18) . . ?
C40 C39 P4 123.86(16) . . ?
C44 C39 P4 117.53(15) . . ?
C39 C40 H40 119.7 . . ?
C39 C40 C41 120.6(2) . . ?
C41 C40 H40 119.7 . . ?
C40 C41 H41 119.8 . . ?
C42 C41 C40 120.3(2) . . ?
C42 C41 H41 119.8 . . ?
C41 C42 H42 120.0 . . ?
C41 C42 C43 119.9(2) . . ?
C43 C42 H42 120.0 . . ?
C42 C43 H43 119.9 . . ?
C44 C43 C42 120.1(2) . . ?
C44 C43 H43 119.9 . . ?
C39 C44 H44 119.7 . . ?
C43 C44 C39 120.6(2) . . ?
C43 C44 H44 119.7 . . ?
H45A C45 H45B 109.5 . . ?
H45A C45 H45C 109.5 . . ?
H45B C45 H45C 109.5 . . ?
Si4 C45 H45A 109.5 . . ?
Si4 C45 H45B 109.5 . . ?
Si4 C45 H45C 109.5 . . ?
H46A C46 H46B 109.5 . . ?
H46A C46 H46C 109.5 . . ?
H46B C46 H46C 109.5 . . ?
Si4 C46 H46A 109.5 . . ?
Si4 C46 H46B 109.5 . . ?
Si4 C46 H46C 109.5 . . ?
H47A C47 H47B 109.5 . . ?
H47A C47 H47C 109.5 . . ?
H47B C47 H47C 109.5 . . ?
Si4 C47 H47A 109.5 . . ?
Si4 C47 H47B 109.5 . . ?
Si4 C47 H47C 109.5 . . ?
C49 C48 C53 118.91(17) . . ?
C49 C48 P3 117.35(14) . . ?
C53 C48 P3 123.60(14) . . ?
C48 C49 H49 119.5 . . ?
C50 C49 C48 120.90(19) . . ?
C50 C49 H49 119.5 . . ?
C49 C50 H50 120.2 . . ?
C49 C50 C51 119.58(19) . . ?
C51 C50 H50 120.2 . . ?
C50 C51 H51 120.0 . . ?
C52 C51 C50 119.96(18) . . ?
C52 C51 H51 120.0 . . ?
C51 C52 H52 119.6 . . ?
C51 C52 C53 120.71(18) . . ?
C53 C52 H52 119.6 . . ?
C48 C53 H53 120.1 . . ?
C52 C53 C48 119.87(18) . . ?
C52 C53 H53 120.1 . . ?
C55 C54 P3 120.09(14) . . ?
C59 C54 C55 119.40(18) . . ?
C59 C54 P3 120.32(14) . . ?
C54 C55 H55 120.0 . . ?
C56 C55 C54 120.01(19) . . ?
C56 C55 H55 120.0 . . ?
C55 C56 H56 119.9 . . ?
C57 C56 C55 120.21(19) . . ?
C57 C56 H56 119.9 . . ?
C56 C57 H57 120.0 . . ?
C56 C57 C58 120.07(19) . . ?
C58 C57 H57 120.0 . . ?
C57 C58 H58 120.2 . . ?
C57 C58 C59 119.7(2) . . ?
C59 C58 H58 120.2 . . ?
C54 C59 C58 120.60(19) . . ?
C54 C59 H59 119.7 . . ?
C58 C59 H59 119.7 . . ?
H60A C60 H60B 109.5 . . ?
H60A C60 H60C 109.5 . . ?
H60B C60 H60C 109.5 . . ?
Si3 C60 H60A 109.5 . . ?
Si3 C60 H60B 109.5 . . ?
Si3 C60 H60C 109.5 . . ?
H61A C61 H61B 109.5 . . ?
H61A C61 H61C 109.5 . . ?
H61B C61 H61C 109.5 . . ?
Si3 C61 H61A 109.5 . . ?
Si3 C61 H61B 109.5 . . ?
Si3 C61 H61C 109.5 . . ?
H62A C62 H62B 109.5 . . ?
H62A C62 H62C 109.5 . . ?
H62B C62 H62C 109.5 . . ?
Si3 C62 H62A 109.5 . . ?
Si3 C62 H62B 109.5 . . ?
Si3 C62 H62C 109.5 . . ?
Si1 N1 Dy1 130.02(8) . . ?
P1 N1 Si1 133.22(10) . . ?
P1 N1 Dy1 93.15(7) . . ?
Si2 N2 Dy1 140.94(8) . . ?
P2 N2 Si2 124.91(9) . . ?
P2 N2 Dy1 92.43(7) . . ?
Si3 N3 Dy1 123.81(8) . . ?
P3 N3 Si3 129.32(9) . . ?
P3 N3 Dy1 104.15(7) . . ?
Si4 N4 Dy1 131.45(8) . . ?
P4 N4 Si4 124.82(9) . . ?
P4 N4 Dy1 103.63(7) . . ?
C30 Si1 C29 105.64(10) . . ?
C31 Si1 C29 106.40(10) . . ?
C31 Si1 C30 107.84(11) . . ?
N1 Si1 C29 115.37(9) . . ?
N1 Si1 C30 114.48(9) . . ?
N1 Si1 C31 106.63(9) . . ?
C15 Si2 C14 106.64(10) . . ?
C16 Si2 C14 104.15(9) . . ?
C16 Si2 C15 107.54(9) . . ?
N2 Si2 C14 114.22(8) . . ?
N2 Si2 C15 110.91(9) . . ?
N2 Si2 C16 112.87(8) . . ?
C60 Si3 C62 106.66(11) . . ?
C61 Si3 C60 108.02(10) . . ?
C61 Si3 C62 108.61(11) . . ?
N3 Si3 C60 111.52(9) . . ?
N3 Si3 C61 106.07(9) . . ?
N3 Si3 C62 115.72(9) . . ?
C46 Si4 C45 104.89(11) . . ?
C47 Si4 C45 106.64(11) . . ?
C47 Si4 C46 111.37(11) . . ?
N4 Si4 C45 115.11(9) . . ?
N4 Si4 C46 112.06(9) . . ?
N4 Si4 C47 106.72(8) . . ?
C1 P1 C17 113.92(9) . . ?
C1 P1 C23 114.88(9) . . ?
C23 P1 C17 97.93(8) . . ?
N1 P1 C1 104.96(8) . . ?
N1 P1 C17 112.84(9) . . ?
N1 P1 C23 112.62(8) . . ?
C1 P2 C2 114.55(9) . . ?
C1 P2 C8 109.67(9) . . ?
C8 P2 C2 103.11(8) . . ?
N2 P2 C1 106.27(8) . . ?
N2 P2 C2 112.59(8) . . ?
N2 P2 C8 110.69(8) . . ?
C32 P3 C48 104.30(9) . . ?
C32 P3 C54 114.55(9) . . ?
C54 P3 C48 103.41(8) . . ?
N3 P3 C32 110.51(8) . . ?
N3 P3 C48 111.39(8) . . ?
N3 P3 C54 112.18(8) . . ?
C32 P4 C33 102.29(9) . . ?
C32 P4 C39 116.31(8) . . ?
C33 P4 C39 105.50(9) . . ?
N4 P4 C32 110.95(8) . . ?
N4 P4 C33 112.14(9) . . ?
N4 P4 C39 109.38(8) . . ?
C1 Dy1 C32 158.25(6) . . ?
C1 Dy1 N1 64.69(6) . . ?
C1 Dy1 N2 65.71(6) . . ?
C1 Dy1 N3 131.34(6) . . ?
C1 Dy1 N4 116.12(6) . . ?
N1 Dy1 C32 136.72(5) . . ?
N2 Dy1 C32 93.57(5) . . ?
N2 Dy1 N1 129.51(5) . . ?
N3 Dy1 C32 61.51(5) . . ?
N3 Dy1 N1 92.62(5) . . ?
N3 Dy1 N2 113.45(5) . . ?
N4 Dy1 C32 61.67(5) . . ?
N4 Dy1 N1 102.85(5) . . ?
N4 Dy1 N2 106.61(5) . . ?
N4 Dy1 N3 110.51(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
C2 C3 C4 C5 0.2(3) . . . . ?
C3 C2 C7 C6 1.7(3) . . . . ?
C3 C2 P2 C1 36.19(18) . . . . ?
C3 C2 P2 C8 155.29(15) . . . . ?
C3 C2 P2 N2 -85.39(16) . . . . ?
C3 C4 C5 C6 0.5(3) . . . . ?
C4 C5 C6 C7 -0.1(3) . . . . ?
C5 C6 C7 C2 -1.0(3) . . . . ?
C7 C2 C3 C4 -1.3(3) . . . . ?
C7 C2 P2 C1 -143.84(16) . . . . ?
C7 C2 P2 C8 -24.75(18) . . . . ?
C7 C2 P2 N2 94.58(17) . . . . ?
C8 C9 C10 C11 0.4(4) . . . . ?
C9 C8 C13 C12 -0.2(3) . . . . ?
C9 C8 P2 C1 68.21(18) . . . . ?
C9 C8 P2 C2 -54.22(18) . . . . ?
C9 C8 P2 N2 -174.85(16) . . . . ?
C9 C10 C11 C12 -0.2(4) . . . . ?
C10 C11 C12 C13 -0.2(4) . . . . ?
C11 C12 C13 C8 0.4(3) . . . . ?
C13 C8 C9 C10 -0.2(3) . . . . ?
C13 C8 P2 C1 -104.72(17) . . . . ?
C13 C8 P2 C2 132.85(16) . . . . ?
C13 C8 P2 N2 12.22(19) . . . . ?
C17 C18 C19 C20 0.1(4) . . . . ?
C18 C17 C22 C21 0.3(3) . . . . ?
C18 C17 P1 C1 61.41(19) . . . . ?
C18 C17 P1 C23 -60.36(18) . . . . ?
C18 C17 P1 N1 -179.04(16) . . . . ?
C18 C19 C20 C21 -0.2(4) . . . . ?
C19 C20 C21 C22 0.4(4) . . . . ?
C20 C21 C22 C17 -0.4(3) . . . . ?
C22 C17 C18 C19 -0.1(3) . . . . ?
C22 C17 P1 C1 -117.83(17) . . . . ?
C22 C17 P1 C23 120.40(17) . . . . ?
C22 C17 P1 N1 1.7(2) . . . . ?
C23 C24 C25 C26 -0.3(3) . . . . ?
C24 C23 C28 C27 2.7(3) . . . . ?
C24 C23 P1 C1 7.81(18) . . . . ?
C24 C23 P1 C17 128.87(16) . . . . ?
C24 C23 P1 N1 -112.28(16) . . . . ?
C24 C25 C26 C27 1.6(4) . . . . ?
C25 C26 C27 C28 -0.6(4) . . . . ?
C26 C27 C28 C23 -1.5(3) . . . . ?
C28 C23 C24 C25 -1.8(3) . . . . ?
C28 C23 P1 C1 -170.96(15) . . . . ?
C28 C23 P1 C17 -49.91(17) . . . . ?
C28 C23 P1 N1 68.94(17) . . . . ?
C33 C34 C35 C36 -0.2(3) . . . . ?
C34 C33 C38 C37 -0.9(3) . . . . ?
C34 C33 P4 C32 -110.46(16) . . . . ?
C34 C33 P4 C39 127.45(15) . . . . ?
C34 C33 P4 N4 8.47(18) . . . . ?
C34 C35 C36 C37 -1.0(3) . . . . ?
C35 C36 C37 C38 1.2(4) . . . . ?
C36 C37 C38 C33 -0.3(3) . . . . ?
C38 C33 C34 C35 1.2(3) . . . . ?
C38 C33 P4 C32 64.76(17) . . . . ?
C38 C33 P4 C39 -57.33(18) . . . . ?
C38 C33 P4 N4 -176.31(15) . . . . ?
C39 C40 C41 C42 0.7(4) . . . . ?
C40 C39 C44 C43 -0.3(3) . . . . ?
C40 C39 P4 C32 -121.80(18) . . . . ?
C40 C39 P4 C33 -9.2(2) . . . . ?
C40 C39 P4 N4 111.56(18) . . . . ?
C40 C41 C42 C43 -0.8(4) . . . . ?
C41 C42 C43 C44 0.3(4) . . . . ?
C42 C43 C44 C39 0.3(3) . . . . ?
C44 C39 C40 C41 -0.1(3) . . . . ?
C44 C39 P4 C32 62.97(18) . . . . ?
C44 C39 P4 C33 175.52(15) . . . . ?
C44 C39 P4 N4 -63.68(17) . . . . ?
C48 C49 C50 C51 -2.2(3) . . . . ?
C49 C48 C53 C52 -1.1(3) . . . . ?
C49 C48 P3 C32 59.37(17) . . . . ?
C49 C48 P3 C54 179.47(15) . . . . ?
C49 C48 P3 N3 -59.85(17) . . . . ?
C49 C50 C51 C52 -0.3(3) . . . . ?
C50 C51 C52 C53 2.0(3) . . . . ?
C51 C52 C53 C48 -1.3(3) . . . . ?
C53 C48 C49 C50 2.8(3) . . . . ?
C53 C48 P3 C32 -125.08(16) . . . . ?
C53 C48 P3 C54 -4.98(18) . . . . ?
C53 C48 P3 N3 115.70(16) . . . . ?
C54 C55 C56 C57 1.4(3) . . . . ?
C55 C54 C59 C58 0.3(3) . . . . ?
C55 C54 P3 C32 44.69(18) . . . . ?
C55 C54 P3 C48 -68.14(17) . . . . ?
C55 C54 P3 N3 171.71(15) . . . . ?
C55 C56 C57 C58 -0.3(4) . . . . ?
C56 C57 C58 C59 -0.8(4) . . . . ?
C57 C58 C59 C54 0.8(3) . . . . ?
C59 C54 C55 C56 -1.4(3) . . . . ?
C59 C54 P3 C32 -140.34(16) . . . . ?
C59 C54 P3 C48 106.83(16) . . . . ?
C59 C54 P3 N3 -13.32(19) . . . . ?
Si1 N1 P1 C1 -153.59(13) . . . . ?
Si1 N1 P1 C17 81.81(14) . . . . ?
Si1 N1 P1 C23 -27.92(16) . . . . ?
Si2 N2 P2 C1 -165.15(10) . . . . ?
Si2 N2 P2 C2 -38.98(13) . . . . ?
Si2 N2 P2 C8 75.84(12) . . . . ?
Si3 N3 P3 C32 -154.91(11) . . . . ?
Si3 N3 P3 C48 -39.46(14) . . . . ?
Si3 N3 P3 C54 75.93(13) . . . . ?
Si4 N4 P4 C32 -172.66(10) . . . . ?
Si4 N4 P4 C33 73.64(13) . . . . ?
Si4 N4 P4 C39 -43.03(13) . . . . ?
P1 C1 P2 C2 7.6(4) . . . . ?
P1 C1 P2 C8 -107.7(4) . . . . ?
P1 C1 P2 N2 132.6(4) . . . . ?
P1 C17 C18 C19 -179.38(19) . . . . ?
P1 C17 C22 C21 179.53(16) . . . . ?
P1 C23 C24 C25 179.44(16) . . . . ?
P1 C23 C28 C27 -178.48(17) . . . . ?
P1 N1 Si1 C29 52.26(16) . . . . ?
P1 N1 Si1 C30 -70.69(16) . . . . ?
P1 N1 Si1 C31 170.15(13) . . . . ?
P2 C1 P1 C17 -17.3(4) . . . . ?
P2 C1 P1 C23 94.5(4) . . . . ?
P2 C1 P1 N1 -141.2(4) . . . . ?
P2 C2 C3 C4 178.68(16) . . . . ?
P2 C2 C7 C6 -178.31(15) . . . . ?
P2 C8 C9 C10 -173.32(19) . . . . ?
P2 C8 C13 C12 172.82(17) . . . . ?
P2 N2 Si2 C14 -42.01(14) . . . . ?
P2 N2 Si2 C15 78.51(13) . . . . ?
P2 N2 Si2 C16 -160.74(10) . . . . ?
P3 C32 P4 C33 -177.49(15) . . . . ?
P3 C32 P4 C39 -63.11(18) . . . . ?
P3 C32 P4 N4 62.75(18) . . . . ?
P3 C48 C49 C50 178.60(17) . . . . ?
P3 C48 C53 C52 -176.62(14) . . . . ?
P3 C54 C55 C56 173.60(16) . . . . ?
P3 C54 C59 C58 -174.67(16) . . . . ?
P3 N3 Si3 C60 -113.48(13) . . . . ?
P3 N3 Si3 C61 129.15(13) . . . . ?
P3 N3 Si3 C62 8.66(17) . . . . ?
P4 C32 P3 C48 163.68(15) . . . . ?
P4 C32 P3 C54 51.38(19) . . . . ?
P4 C32 P3 N3 -76.50(17) . . . . ?
P4 C33 C34 C35 176.54(15) . . . . ?
P4 C33 C38 C37 -176.10(16) . . . . ?
P4 C39 C40 C41 -175.33(18) . . . . ?
P4 C39 C44 C43 175.17(17) . . . . ?
P4 N4 Si4 C45 -37.74(15) . . . . ?
P4 N4 Si4 C46 82.00(14) . . . . ?
P4 N4 Si4 C47 -155.84(12) . . . . ?
Dy1 C1 P1 C17 117.88(8) . . . . ?
Dy1 C1 P1 C23 -130.28(7) . . . . ?
Dy1 C1 P1 N1 -6.03(9) . . . . ?
Dy1 C1 P2 C2 -127.70(7) . . . . ?
Dy1 C1 P2 C8 116.96(8) . . . . ?
Dy1 C1 P2 N2 -2.72(9) . . . . ?
Dy1 C32 P3 C48 -125.15(6) . . . . ?
Dy1 C32 P3 C54 122.55(7) . . . . ?
Dy1 C32 P3 N3 -5.33(8) . . . . ?
Dy1 C32 P4 C33 111.06(7) . . . . ?
Dy1 C32 P4 C39 -134.55(8) . . . . ?
Dy1 C32 P4 N4 -8.70(8) . . . . ?
Dy1 N1 Si1 C29 -100.31(11) . . . . ?
Dy1 N1 Si1 C30 136.74(11) . . . . ?
Dy1 N1 Si1 C31 17.58(13) . . . . ?
Dy1 N1 P1 C1 5.72(9) . . . . ?
Dy1 N1 P1 C17 -118.88(7) . . . . ?
Dy1 N1 P1 C23 131.39(7) . . . . ?
Dy1 N2 Si2 C14 157.63(12) . . . . ?
Dy1 N2 Si2 C15 -81.84(14) . . . . ?
Dy1 N2 Si2 C16 38.90(15) . . . . ?
Dy1 N2 P2 C1 2.61(9) . . . . ?
Dy1 N2 P2 C2 128.78(7) . . . . ?
Dy1 N2 P2 C8 -116.41(7) . . . . ?
Dy1 N3 Si3 C60 88.26(11) . . . . ?
Dy1 N3 Si3 C61 -29.11(12) . . . . ?
Dy1 N3 Si3 C62 -149.60(11) . . . . ?
Dy1 N3 P3 C32 6.58(10) . . . . ?
Dy1 N3 P3 C48 122.03(8) . . . . ?
Dy1 N3 P3 C54 -122.58(8) . . . . ?
Dy1 N4 Si4 C45 137.78(12) . . . . ?
Dy1 N4 Si4 C46 -102.48(12) . . . . ?
Dy1 N4 Si4 C47 19.68(14) . . . . ?
Dy1 N4 P4 C32 10.79(10) . . . . ?
Dy1 N4 P4 C33 -102.90(8) . . . . ?
Dy1 N4 P4 C39 140.42(8) . . . . ?

loop_
_exptl_crystal_face_index_h
_exptl_crystal_face_index_k
_exptl_crystal_face_index_l
_exptl_crystal_face_perp_dist
_exptl_oxdiff_crystal_face_indexfrac_h
_exptl_oxdiff_crystal_face_indexfrac_k
_exptl_oxdiff_crystal_face_indexfrac_l
_exptl_oxdiff_crystal_face_x
_exptl_oxdiff_crystal_face_y
_exptl_oxdiff_crystal_face_z
-14 -2 13 0.0615 -13.9999 -1.9997 12.9999 -0.0025 -0.6296 -0.7302
14 2 -13 0.0615 13.9999 1.9997 -12.9999 0.0025 0.6296 0.7302
-4 15 5 0.0997 -3.9997 15.0000 5.0001 -0.0494 -0.8748 0.4253
4 -15 -5 0.0997 3.9997 -15.0000 -5.0001 0.0494 0.8748 -0.4253
-7 -15 5 0.0835 -7.0002 -14.9998 4.9999 0.0189 0.3307 -0.9211
7 15 -5 0.0835 7.0002 14.9998 -4.9999 -0.0189 -0.3307 0.9211
14 -2 1 0.0197 14.0000 -1.9998 1.0000 1.0012 -0.0563 -0.0118
-14 2 -1 0.0197 -14.0000 1.9998 -1.0000 -1.0012 0.0563 0.0118
####################################################################### 
# 
# This file contains crystal structure data downloaded from the 
# Cambridge Structural Database (CSD) hosted by the Cambridge 
# Crystallographic Data Centre (CCDC).
# 
# Full information about CCDC data access policies and citation 
# guidelines are available at http://www.ccdc.cam.ac.uk/access/V1 
# 
# Audit and citation data items may have been added by the CCDC. 
# Please retain this information to preserve the provenance of 
# this file and to allow appropriate attribution of the data. 
# 
#######################################################################

data_2Y
_database_code_depnum_ccdc_archive 'CCDC 1054030'
_audit_update_record             
;
2015-03-13 deposited with the CCDC.
2015-11-23 downloaded from the CCDC.
;

_nottingham_internal_coll_name   YMGALA
_nottingham_internal_coll_number 13410
_nottingham_internal_coll_client MG/STL
_nottingham_internal_coll_type   custom
_nottingham_internal_coll_frame_time '72.0000, 18.0000'
_nottingham_internal_coll_frame_width 1.0000
_nottingham_internal_coll_frame_method 'omega scans'
_nottingham_internal_coll_user   MG
_nottingham_internal_coll_date   27/03/2014
_nottingham_internal_coll_location NOTTS
_nottingham_internal_NCS_number  ?
_nottingham_internal_process_user MG
_nottingham_internal_process_date 28/03/2014
_nottingham_internal_solution_user MG
_nottingham_internal_solution_date 28/03/2014
_nottingham_internal_refinement_user MG
_nottingham_internal_refinement_date 28/04/2014
_nottingham_internal_validation_user pczwl
_nottingham_internal_validation_date 16/1/2015
_nottingham_internal_archive_date 16/1/2015

_refine_special_details          
;
The THF molecule O9,C83-C86 is disordered over two orientations.
The occupancies of the two disorder components were refined competitively
converging at a ratio of 0.75: 0.25. 
The THF molecule O10,C87-C90 is disordered over two orientations.
The occupancies of the two disorder components were refined competitively
converging at a ratio of 0.64: 0.36.
The atoms of the minor components were refined isotropically 
Chemically equivalent 1,2-distances of the disordered molecules were 
restrained to be approximately equal to each other and to those of the 
ordered THF molecule.
;

_vrf_PLAT973_2Y                  
;
PROBLEM: Check Calcd Positive Residual Density on Y1 2.74 eA-3
RESPONSE: The residual density is next to yttrium and not chemically significant.
;

_audit_creation_date             2014-04-28
_audit_creation_method           
;
Olex2 1.2
(compiled 2014.03.20 svn.r2914 for OlexSys, GUI svn.r4816)
;
_shelxl_version_number           2013-4
_chemical_name_common            ?
_chemical_name_systematic        
;
 ?
;
_chemical_formula_moiety         'C62 H76 N4 P4 Si4 Y, C20 H40 K O8, 2(C4 H8 O)'
_chemical_formula_sum            'C90 H132 K N4 O10 P4 Si4 Y'
_chemical_formula_weight         1794.24
_chemical_melting_point          ?
_chemical_oxdiff_formula         'C90 H132 K1 N4 O10 P4 Si4 Y1'
loop_
_atom_type_symbol
_atom_type_description
_atom_type_scat_dispersion_real
_atom_type_scat_dispersion_imag
_atom_type_scat_source
C C 0.0181 0.0091 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
H H 0.0000 0.0000 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
K K 0.3868 1.0657 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
N N 0.0311 0.0180 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
O O 0.0492 0.0322 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
P P 0.2955 0.4335 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Si Si 0.2541 0.3302 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Y Y -0.2670 2.0244 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'

_shelx_space_group_comment       
;
The symmetry employed for this shelxl refinement is uniquely defined
by the following loop, which should always be used as a source of
symmetry information in preference to the above space-group names.
They are only intended as comments.
;
_space_group_crystal_system      triclinic
_space_group_IT_number           2
_space_group_name_H-M_alt        'P -1'
_space_group_name_Hall           '-P 1'
loop_
_space_group_symop_operation_xyz
'x, y, z'
'-x, -y, -z'

_cell_length_a                   15.1169(5)
_cell_length_b                   15.2820(5)
_cell_length_c                   21.1716(5)
_cell_angle_alpha                98.667(2)
_cell_angle_beta                 94.975(2)
_cell_angle_gamma                93.716(3)
_cell_volume                     4801.8(2)
_cell_formula_units_Z            2
_cell_measurement_reflns_used    13871
_cell_measurement_temperature    120(2)
_cell_measurement_theta_max      74.3650
_cell_measurement_theta_min      3.9690
_shelx_estimated_absorpt_T_max   ?
_shelx_estimated_absorpt_T_min   ?
_exptl_absorpt_coefficient_mu    2.791
_exptl_absorpt_correction_T_max  0.846
_exptl_absorpt_correction_T_min  0.733
_exptl_absorpt_correction_type   gaussian
_exptl_absorpt_process_details   
;
CrysAlisPro, Agilent Technologies,
Version 1.171.37.31 (release 14-01-2014 CrysAlis171 .NET)
(compiled Jan 14 2014,18:38:05)
Numerical absorption correction based on gaussian integration over
			a multifaceted crystal model
Empirical absorption correction using spherical harmonics,
 implemented in SCALE3 ABSPACK scaling algorithm.
;
_exptl_crystal_colour            'clear yellow'
_exptl_crystal_colour_lustre     clear
_exptl_crystal_colour_modifier   .
_exptl_crystal_colour_primary    yellow
_exptl_crystal_density_diffrn    1.241
_exptl_crystal_density_meas      ?
_exptl_crystal_density_method    ?
_exptl_crystal_description       block
_exptl_crystal_F_000             1908
_exptl_crystal_size_max          0.1625
_exptl_crystal_size_mid          0.1166
_exptl_crystal_size_min          0.073
_exptl_special_details           
;
 ?
;
_exptl_transmission_factor_max   ?
_exptl_transmission_factor_min   ?
_diffrn_reflns_av_R_equivalents  0.0610
_diffrn_reflns_av_unetI/netI     0.0713
_diffrn_reflns_Laue_measured_fraction_full 0.999
_diffrn_reflns_Laue_measured_fraction_max 0.965
_diffrn_reflns_limit_h_max       18
_diffrn_reflns_limit_h_min       -18
_diffrn_reflns_limit_k_max       17
_diffrn_reflns_limit_k_min       -19
_diffrn_reflns_limit_l_max       20
_diffrn_reflns_limit_l_min       -26
_diffrn_reflns_number            37308
_diffrn_reflns_point_group_measured_fraction_full 0.999
_diffrn_reflns_point_group_measured_fraction_max 0.965
_diffrn_reflns_theta_full        67.684
_diffrn_reflns_theta_max         74.771
_diffrn_reflns_theta_min         3.340
_diffrn_ambient_temperature      120(2)
_diffrn_detector                 'CCD area detector'
_diffrn_detector_area_resol_mean 10.3613
_diffrn_detector_type            'Agilent Diffraction Atlas detector'
_diffrn_measured_fraction_theta_full 0.999
_diffrn_measured_fraction_theta_max 0.965
_diffrn_measurement_device       'κ-geometry diffractometer'
_diffrn_measurement_device_type  'SuperNova-Duo, Atlas'
_diffrn_measurement_method       'ω scans'
_diffrn_orient_matrix_UB_11      -0.0889456000
_diffrn_orient_matrix_UB_12      -0.0320098000
_diffrn_orient_matrix_UB_13      -0.0405903000
_diffrn_orient_matrix_UB_21      0.0027254000
_diffrn_orient_matrix_UB_22      0.0865765000
_diffrn_orient_matrix_UB_23      -0.0290588000
_diffrn_orient_matrix_UB_31      0.0511024000
_diffrn_orient_matrix_UB_32      -0.0440899000
_diffrn_orient_matrix_UB_33      -0.0545729000
_diffrn_radiation_collimation    'focusing mirrors'
_diffrn_radiation_monochromator  mirror
_diffrn_radiation_probe          x-ray
_diffrn_radiation_type           CuK\a
_diffrn_radiation_wavelength     1.54184
_diffrn_source                   'microfocus sealed tube'
_diffrn_source_target            Cu
_diffrn_source_type              'Agilent Diffraction microfocus tube'
_reflns_Friedel_coverage         0.000
_reflns_Friedel_fraction_full    .
_reflns_Friedel_fraction_max     .
_reflns_number_gt                15405
_reflns_number_total             19007
_reflns_odcompleteness_completeness 99.89
_reflns_odcompleteness_iscentric 1
_reflns_odcompleteness_theta     66.97
_reflns_special_details          
;
 Reflections were merged by SHELXL according to the crystal
 class for the calculation of statistics and refinement.
 
 _reflns_Friedel_fraction is defined as the number of unique
 Friedel pairs measured divided by the number that would be
 possible theoretically, ignoring centric projections and
 systematic absences.
;
_reflns_threshold_expression     'I > 2σ(I)'
_computing_cell_refinement       
;
CrysAlisPro, Agilent Technologies,
Version 1.171.37.31 (release 14-01-2014 CrysAlis171 .NET)
(compiled Jan 14 2014,18:38:05)
;
_computing_data_collection       
;
CrysAlisPro, Agilent Technologies,
Version 1.171.37.31 (release 14-01-2014 CrysAlis171 .NET)
(compiled Jan 14 2014,18:38:05)
;
_computing_data_reduction        
;
CrysAlisPro, Agilent Technologies,
Version 1.171.37.31 (release 14-01-2014 CrysAlis171 .NET)
(compiled Jan 14 2014,18:38:05)
;
_computing_molecular_graphics    'Olex2 (Dolomanov et al., 2009)'
_computing_publication_material  'Olex2 (Dolomanov et al., 2009)'
_computing_structure_refinement  'ShelXL (Sheldrick, 2008)'
_computing_structure_solution    'ShelXS (Sheldrick, 2008)'
_refine_diff_density_max         2.069
_refine_diff_density_min         -1.148
_refine_diff_density_rms         0.123
_refine_ls_extinction_coef       .
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.031
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     1053
_refine_ls_number_reflns         19007
_refine_ls_number_restraints     160
_refine_ls_R_factor_all          0.0860
_refine_ls_R_factor_gt           0.0734
_refine_ls_restrained_S_all      1.045
_refine_ls_shift/su_max          0.001
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details     
'w=1/[σ²(Fo²)+(0.1365P)²] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1877
_refine_ls_wR_factor_ref         0.2045

_olex2_refinement_description    
;
1. Fixed Uiso
 At 1.2 times of:
  All C(H) groups, All C(H,H) groups, All C(H,H,H,H) groups
 At 1.5 times of:
  All C(H,H,H) groups
2. Restrained distances
 O9-C86 \\sim O9-C83 \\sim O9-C83A \\sim O10-C90 \\sim O10-C87A \\sim O10-C87
 with sigma of 0.02
 C84-C83 \\sim C86-C85 \\sim C84-C83A \\sim C90-C89 \\sim C88A-C87A \\sim
C88-C87
 with sigma of 0.02
 C89-C88A \\sim C89-C88 \\sim C85-C84
 with sigma of 0.02
3. Uiso/Uaniso restraints and constraints
C90 \\sim C89 \\sim C87A \\sim O10 \\sim C88A \\sim C88 \\sim C87: within 1.7A
with sigma of 0.02 and sigma for terminal atoms of 0.04
4. Rigid body (RIGU) restrains
 O10, C90, C89, C87A, C88A, C87, C88
 with sigma for 1-2 distances of 0.002 and sigma for 1-3 distances of 0.002
 C85, C86, O9, C83A, C83, C84
 with sigma for 1-2 distances of 0.004 and sigma for 1-3 distances of 0.004
5. Others
 Sof(C83A)=Sof(H83C)=Sof(H83D)=Sof(H84C)=Sof(H84D)=1-FVAR(1)
 Sof(C83)=Sof(H83A)=Sof(H83B)=Sof(H84A)=Sof(H84B)=FVAR(1)
 Sof(H89C)=Sof(H89D)=Sof(C87)=Sof(H87C)=Sof(H87D)=Sof(C88)=Sof(H88C)=Sof(H88D)=
 1-FVAR(2)
 Sof(C87A)=Sof(H87A)=Sof(H87B)=Sof(C88A)=Sof(H88A)=Sof(H88B)=Sof(H89A)=
 Sof(H89B)=FVAR(2)
6.a Secondary CH2 refined with riding coordinates:
 C63(H63A,H63B), C64(H64A,H64B), C65(H65A,H65B), C66(H66A,H66B), C67(H67A,
 H67B), C68(H68A,H68B), C69(H69A,H69B), C70(H70A,H70B), C71(H71A,H71B),
 C72(H72A,H72B), C73(H73A,H73B), C74(H74A,H74B), C75(H75A,H75B), C76(H76A,H76B),
  C77(H77A,H77B), C78(H78A,H78B), C79(H79A,H79B), C80(H80A,H80B), C81(H81A,
 H81B), C82(H82A,H82B), C83(H83A,H83B), C83A(H83C,H83D), C84(H84A,H84B),
 C84(H84C,H84D), C85(H85A,H85B), C86(H86A,H86B), C87A(H87A,H87B), C88A(H88A,
 H88B), C90(H90A,H90B), C89(H89A,H89B), C89(H89C,H89D), C87(H87C,H87D),
 C88(H88C,H88D)
6.b Aromatic/amide H refined with riding coordinates:
 C3(H3), C4(H4), C5(H5), C6(H6), C7(H7), C9(H9), C10(H10), C11(H11), C12(H12),
 C13(H13), C18(H18), C19(H19), C20(H20), C21(H21), C22(H22), C24(H24), C25(H25),
  C26(H26), C27(H27), C28(H28), C34(H34), C35(H35), C36(H36), C37(H37),
 C38(H38), C40(H40), C41(H41), C42(H42), C43(H43), C44(H44), C49(H49), C50(H50),
  C51(H51), C52(H52), C53(H53), C55(H55), C56(H56), C57(H57), C58(H58), C59(H59)
6.c Idealised Me refined as rotating group:
 C14(H14A,H14B,H14C), C15(H15A,H15B,H15C), C16(H16A,H16B,H16C), C29(H29A,H29B,
 H29C), C30(H30A,H30B,H30C), C31(H31A,H31B,H31C), C45(H45A,H45B,H45C), C46(H46A,
 H46B,H46C), C47(H47A,H47B,H47C), C60(H60A,H60B,H60C), C61(H61A,H61B,H61C),
 C62(H62A,H62B,H62C)
;
_atom_sites_solution_hydrogens   geom
_atom_sites_solution_primary     direct
_atom_sites_solution_secondary   difmap

loop_
_atom_site_label
_atom_site_type_symbol
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_U_iso_or_equiv
_atom_site_adp_type
_atom_site_occupancy
_atom_site_site_symmetry_order
_atom_site_calc_flag
_atom_site_refinement_flags_posn
_atom_site_refinement_flags_adp
_atom_site_refinement_flags_occupancy
_atom_site_disorder_assembly
_atom_site_disorder_group
Y1 Y 0.24903(2) 0.75051(2) 0.24747(2) 0.02598(10) Uani 1 1 d . . . . .
P1 P 0.05823(5) 0.78577(6) 0.27033(4) 0.02982(18) Uani 1 1 d . . . . .
P2 P 0.16325(6) 0.87616(6) 0.16578(4) 0.02903(18) Uani 1 1 d . . . . .
P3 P 0.42460(5) 0.75291(6) 0.33000(4) 0.02822(18) Uani 1 1 d . . . . .
P4 P 0.34856(5) 0.58323(5) 0.22248(4) 0.02774(18) Uani 1 1 d . . . . .
Si1 Si 0.10922(6) 0.67897(7) 0.37679(4) 0.0325(2) Uani 1 1 d . . . . .
Si2 Si 0.34004(6) 0.85534(6) 0.10905(4) 0.0312(2) Uani 1 1 d . . . . .
Si3 Si 0.36711(7) 0.93759(6) 0.37534(5) 0.0353(2) Uani 1 1 d . . . . .
Si4 Si 0.18647(6) 0.53253(6) 0.12646(4) 0.02876(19) Uani 1 1 d . . . . .
N1 N 0.12062(18) 0.72494(19) 0.30870(13) 0.0292(6) Uani 1 1 d . . . . .
N2 N 0.26181(19) 0.84166(19) 0.16127(14) 0.0311(6) Uani 1 1 d . . . . .
N3 N 0.35906(18) 0.83262(19) 0.33259(13) 0.0304(6) Uani 1 1 d . . . . .
N4 N 0.25573(19) 0.60107(19) 0.18433(13) 0.0292(6) Uani 1 1 d . . . . .
C1 C 0.1191(2) 0.8329(3) 0.22316(17) 0.0343(7) Uani 1 1 d . . . . .
C2 C -0.0402(2) 0.7193(2) 0.22705(18) 0.0359(8) Uani 1 1 d . . . . .
C3 C -0.0697(2) 0.7340(3) 0.16617(19) 0.0416(9) Uani 1 1 d . . . . .
H3 H -0.0441 0.7833 0.1498 0.050 Uiso 1 1 calc R . . . .
C4 C -0.1369(3) 0.6771(3) 0.1284(2) 0.0496(10) Uani 1 1 d . . . . .
H4 H -0.1563 0.6878 0.0866 0.060 Uiso 1 1 calc R . . . .
C5 C -0.1747(3) 0.6060(3) 0.1519(2) 0.0535(12) Uani 1 1 d . . . . .
H5 H -0.2188 0.5662 0.1256 0.064 Uiso 1 1 calc R . . . .
C6 C -0.1491(3) 0.5920(3) 0.2132(2) 0.0515(11) Uani 1 1 d . . . . .
H6 H -0.1770 0.5442 0.2300 0.062 Uiso 1 1 calc R . . . .
C7 C -0.0815(3) 0.6485(3) 0.2510(2) 0.0437(9) Uani 1 1 d . . . . .
H7 H -0.0637 0.6386 0.2933 0.052 Uiso 1 1 calc R . . . .
C8 C 0.0089(2) 0.8669(2) 0.32760(16) 0.0330(7) Uani 1 1 d . . . . .
C9 C -0.0813(3) 0.8710(3) 0.33035(18) 0.0391(8) Uani 1 1 d . . . . .
H9 H -0.1216 0.8297 0.3019 0.047 Uiso 1 1 calc R . . . .
C10 C -0.1145(3) 0.9349(3) 0.3741(2) 0.0494(10) Uani 1 1 d . . . . .
H10 H -0.1770 0.9374 0.3751 0.059 Uiso 1 1 calc R . . . .
C11 C -0.0570(3) 0.9943(3) 0.41594(19) 0.0489(10) Uani 1 1 d . . . . .
H11 H -0.0796 1.0371 0.4465 0.059 Uiso 1 1 calc R . . . .
C12 C 0.0346(3) 0.9915(3) 0.4134(2) 0.0503(10) Uani 1 1 d . . . . .
H12 H 0.0746 1.0329 0.4420 0.060 Uiso 1 1 calc R . . . .
C13 C 0.0673(3) 0.9285(3) 0.36936(19) 0.0457(9) Uani 1 1 d . . . . .
H13 H 0.1298 0.9271 0.3675 0.055 Uiso 1 1 calc R . . . .
C14 C 0.0655(3) 0.5580(3) 0.3605(2) 0.0479(9) Uani 1 1 d . . . . .
H14A H 0.0009 0.5536 0.3624 0.072 Uiso 1 1 calc GR . . . .
H14B H 0.0939 0.5265 0.3929 0.072 Uiso 1 1 calc GR . . . .
H14C H 0.0791 0.5313 0.3177 0.072 Uiso 1 1 calc GR . . . .
C15 C 0.0306(3) 0.7339(3) 0.4322(2) 0.0469(9) Uani 1 1 d . . . . .
H15A H 0.0536 0.7954 0.4482 0.070 Uiso 1 1 calc GR . . . .
H15B H 0.0257 0.7014 0.4685 0.070 Uiso 1 1 calc GR . . . .
H15C H -0.0283 0.7333 0.4087 0.070 Uiso 1 1 calc GR . . . .
C16 C 0.2201(3) 0.6833(3) 0.42333(19) 0.0417(8) Uani 1 1 d . . . . .
H16A H 0.2602 0.6487 0.3975 0.063 Uiso 1 1 calc GR . . . .
H16B H 0.2134 0.6585 0.4629 0.063 Uiso 1 1 calc GR . . . .
H16C H 0.2449 0.7452 0.4342 0.063 Uiso 1 1 calc GR . . . .
C17 C 0.0958(2) 0.8467(2) 0.08786(16) 0.0313(7) Uani 1 1 d . . . . .
C18 C 0.0401(3) 0.9044(2) 0.06241(17) 0.0364(7) Uani 1 1 d . . . . .
H18 H 0.0420 0.9645 0.0826 0.044 Uiso 1 1 calc R . . . .
C19 C -0.0183(3) 0.8750(3) 0.00786(19) 0.0427(9) Uani 1 1 d . . . . .
H19 H -0.0554 0.9154 -0.0091 0.051 Uiso 1 1 calc R . . . .
C20 C -0.0231(3) 0.7875(3) -0.02204(19) 0.0416(8) Uani 1 1 d . . . . .
H20 H -0.0634 0.7675 -0.0591 0.050 Uiso 1 1 calc R . . . .
C21 C 0.0326(3) 0.7293(3) 0.00343(18) 0.0388(8) Uani 1 1 d . . . . .
H21 H 0.0297 0.6689 -0.0161 0.047 Uiso 1 1 calc R . . . .
C22 C 0.0920(2) 0.7595(2) 0.05709(18) 0.0361(7) Uani 1 1 d . . . . .
H22 H 0.1308 0.7197 0.0731 0.043 Uiso 1 1 calc R . . . .
C23 C 0.1632(3) 0.9978(2) 0.17854(17) 0.0376(8) Uani 1 1 d . . . . .
C24 C 0.1157(3) 1.0386(3) 0.2256(2) 0.0464(9) Uani 1 1 d . . . . .
H24 H 0.0845 1.0036 0.2513 0.056 Uiso 1 1 calc R . . . .
C25 C 0.1127(4) 1.1312(3) 0.2363(2) 0.0622(14) Uani 1 1 d . . . . .
H25 H 0.0794 1.1585 0.2688 0.075 Uiso 1 1 calc R . . . .
C26 C 0.1579(4) 1.1821(3) 0.1997(3) 0.0647(14) Uani 1 1 d . . . . .
H26 H 0.1565 1.2448 0.2069 0.078 Uiso 1 1 calc R . . . .
C27 C 0.2055(4) 1.1416(3) 0.1520(3) 0.0608(12) Uani 1 1 d . . . . .
H27 H 0.2366 1.1769 0.1265 0.073 Uiso 1 1 calc R . . . .
C28 C 0.2085(3) 1.0509(3) 0.1412(2) 0.0475(9) Uani 1 1 d . . . . .
H28 H 0.2414 1.0241 0.1083 0.057 Uiso 1 1 calc R . . . .
C29 C 0.2934(3) 0.8643(3) 0.02505(17) 0.0412(8) Uani 1 1 d . . . . .
H29A H 0.2590 0.8086 0.0058 0.062 Uiso 1 1 calc GR . . . .
H29B H 0.3423 0.8756 -0.0008 0.062 Uiso 1 1 calc GR . . . .
H29C H 0.2544 0.9132 0.0264 0.062 Uiso 1 1 calc GR . . . .
C30 C 0.4191(3) 0.9568(3) 0.13677(19) 0.0412(8) Uani 1 1 d . . . . .
H30A H 0.3878 1.0102 0.1327 0.062 Uiso 1 1 calc GR . . . .
H30B H 0.4692 0.9551 0.1102 0.062 Uiso 1 1 calc GR . . . .
H30C H 0.4415 0.9579 0.1817 0.062 Uiso 1 1 calc GR . . . .
C31 C 0.4072(3) 0.7564(3) 0.1022(2) 0.0443(9) Uani 1 1 d . . . . .
H31A H 0.4409 0.7546 0.1436 0.066 Uiso 1 1 calc GR . . . .
H31B H 0.4487 0.7606 0.0694 0.066 Uiso 1 1 calc GR . . . .
H31C H 0.3674 0.7022 0.0899 0.066 Uiso 1 1 calc GR . . . .
C32 C 0.3773(2) 0.6699(2) 0.27797(16) 0.0316(7) Uani 1 1 d . . . . .
C33 C 0.4560(2) 0.7194(2) 0.40817(16) 0.0315(7) Uani 1 1 d . . . . .
C34 C 0.5012(3) 0.7760(3) 0.46020(18) 0.0386(8) Uani 1 1 d . . . . .
H34 H 0.5147 0.8366 0.4570 0.046 Uiso 1 1 calc R . . . .
C35 C 0.5267(3) 0.7447(3) 0.51671(19) 0.0440(9) Uani 1 1 d . . . . .
H35 H 0.5586 0.7841 0.5515 0.053 Uiso 1 1 calc R . . . .
C36 C 0.5065(3) 0.6570(3) 0.52322(18) 0.0451(9) Uani 1 1 d . . . . .
H36 H 0.5238 0.6360 0.5621 0.054 Uiso 1 1 calc R . . . .
C37 C 0.4608(3) 0.6007(3) 0.47191(19) 0.0425(8) Uani 1 1 d . . . . .
H37 H 0.4462 0.5404 0.4756 0.051 Uiso 1 1 calc R . . . .
C38 C 0.4359(2) 0.6313(3) 0.41502(18) 0.0357(7) Uani 1 1 d . . . . .
H38 H 0.4048 0.5916 0.3802 0.043 Uiso 1 1 calc R . . . .
C39 C 0.5340(2) 0.7914(3) 0.30853(17) 0.0354(7) Uani 1 1 d . . . . .
C40 C 0.6105(3) 0.7498(3) 0.3246(2) 0.0446(9) Uani 1 1 d . . . . .
H40 H 0.6092 0.7098 0.3549 0.054 Uiso 1 1 calc R . . . .
C41 C 0.6880(3) 0.7662(4) 0.2970(2) 0.0548(11) Uani 1 1 d . . . . .
H41 H 0.7393 0.7368 0.3079 0.066 Uiso 1 1 calc R . . . .
C42 C 0.6916(3) 0.8250(4) 0.2537(2) 0.0578(12) Uani 1 1 d . . . . .
H42 H 0.7450 0.8359 0.2346 0.069 Uiso 1 1 calc R . . . .
C43 C 0.6162(3) 0.8684(4) 0.2383(2) 0.0534(11) Uani 1 1 d . . . . .
H43 H 0.6183 0.9097 0.2090 0.064 Uiso 1 1 calc R . . . .
C44 C 0.5384(3) 0.8512(3) 0.26558(19) 0.0443(9) Uani 1 1 d . . . . .
H44 H 0.4871 0.8808 0.2547 0.053 Uiso 1 1 calc R . . . .
C45 C 0.4843(4) 0.9900(3) 0.3988(3) 0.0616(13) Uani 1 1 d . . . . .
H45A H 0.5161 0.9553 0.4275 0.092 Uiso 1 1 calc GR . . . .
H45B H 0.4821 1.0508 0.4209 0.092 Uiso 1 1 calc GR . . . .
H45C H 0.5155 0.9910 0.3602 0.092 Uiso 1 1 calc GR . . . .
C46 C 0.3138(4) 0.9410(3) 0.4520(2) 0.0549(11) Uani 1 1 d . . . . .
H46A H 0.2518 0.9162 0.4427 0.082 Uiso 1 1 calc GR . . . .
H46B H 0.3153 1.0026 0.4735 0.082 Uiso 1 1 calc GR . . . .
H46C H 0.3462 0.9060 0.4801 0.082 Uiso 1 1 calc GR . . . .
C47 C 0.3124(3) 1.0125(3) 0.3248(2) 0.0462(9) Uani 1 1 d . . . . .
H47A H 0.3415 1.0116 0.2851 0.069 Uiso 1 1 calc GR . . . .
H47B H 0.3175 1.0731 0.3485 0.069 Uiso 1 1 calc GR . . . .
H47C H 0.2493 0.9920 0.3142 0.069 Uiso 1 1 calc GR . . . .
C48 C 0.3337(2) 0.4803(2) 0.25613(16) 0.0336(7) Uani 1 1 d . . . . .
C49 C 0.2648(3) 0.4743(3) 0.29550(18) 0.0411(8) Uani 1 1 d . . . . .
H49 H 0.2272 0.5217 0.3019 0.049 Uiso 1 1 calc R . . . .
C50 C 0.2501(3) 0.4010(3) 0.3253(2) 0.0461(9) Uani 1 1 d . . . . .
H50 H 0.2026 0.3982 0.3517 0.055 Uiso 1 1 calc R . . . .
C51 C 0.3048(4) 0.3314(3) 0.3166(2) 0.0556(11) Uani 1 1 d . . . . .
H51 H 0.2956 0.2810 0.3373 0.067 Uiso 1 1 calc R . . . .
C52 C 0.3729(4) 0.3363(3) 0.2774(3) 0.0604(12) Uani 1 1 d . . . . .
H52 H 0.4098 0.2885 0.2704 0.072 Uiso 1 1 calc R . . . .
C53 C 0.3877(3) 0.4102(3) 0.2481(2) 0.0465(9) Uani 1 1 d . . . . .
H53 H 0.4356 0.4131 0.2221 0.056 Uiso 1 1 calc R . . . .
C54 C 0.4361(2) 0.5578(2) 0.16872(16) 0.0323(7) Uani 1 1 d . . . . .
C55 C 0.5157(2) 0.6088(3) 0.18138(19) 0.0373(8) Uani 1 1 d . . . . .
H55 H 0.5245 0.6541 0.2179 0.045 Uiso 1 1 calc R . . . .
C56 C 0.5845(3) 0.5950(3) 0.1411(2) 0.0434(9) Uani 1 1 d . . . . .
H56 H 0.6390 0.6311 0.1501 0.052 Uiso 1 1 calc R . . . .
C57 C 0.5722(3) 0.5294(3) 0.0889(2) 0.0430(9) Uani 1 1 d . . . . .
H57 H 0.6182 0.5201 0.0614 0.052 Uiso 1 1 calc R . . . .
C58 C 0.4934(3) 0.4766(3) 0.07608(19) 0.0438(9) Uani 1 1 d . . . . .
H58 H 0.4858 0.4303 0.0402 0.053 Uiso 1 1 calc R . . . .
C59 C 0.4245(2) 0.4908(3) 0.11545(17) 0.0369(8) Uani 1 1 d . . . . .
H59 H 0.3699 0.4549 0.1060 0.044 Uiso 1 1 calc R . . . .
C60 C 0.1851(3) 0.4104(2) 0.13178(18) 0.0371(7) Uani 1 1 d . . . . .
H60A H 0.2458 0.3917 0.1312 0.056 Uiso 1 1 calc GR . . . .
H60B H 0.1473 0.3765 0.0951 0.056 Uiso 1 1 calc GR . . . .
H60C H 0.1613 0.3995 0.1718 0.056 Uiso 1 1 calc GR . . . .
C61 C 0.0689(2) 0.5609(3) 0.1341(2) 0.0407(8) Uani 1 1 d . . . . .
H61A H 0.0517 0.5505 0.1761 0.061 Uiso 1 1 calc GR . . . .
H61B H 0.0293 0.5235 0.1001 0.061 Uiso 1 1 calc GR . . . .
H61C H 0.0641 0.6235 0.1300 0.061 Uiso 1 1 calc GR . . . .
C62 C 0.2135(3) 0.5443(3) 0.04258(17) 0.0388(8) Uani 1 1 d . . . . .
H62A H 0.2166 0.6072 0.0378 0.058 Uiso 1 1 calc GR . . . .
H62B H 0.1668 0.5114 0.0113 0.058 Uiso 1 1 calc GR . . . .
H62C H 0.2709 0.5205 0.0351 0.058 Uiso 1 1 calc GR . . . .
K1 K 0.75299(5) 0.26272(5) 0.25285(3) 0.03710(18) Uani 1 1 d . . . . .
O1 O 0.56770(19) 0.22068(18) 0.22098(13) 0.0416(6) Uani 1 1 d . . . . .
O2 O 0.6584(2) 0.1809(2) 0.33547(14) 0.0498(7) Uani 1 1 d . . . . .
O3 O 0.8348(2) 0.2469(2) 0.37506(14) 0.0499(7) Uani 1 1 d . . . . .
O4 O 0.93850(19) 0.29224(19) 0.27786(13) 0.0424(6) Uani 1 1 d . . . . .
O5 O 0.84653(19) 0.34907(19) 0.17146(13) 0.0413(6) Uani 1 1 d . . . . .
O6 O 0.67388(19) 0.27722(19) 0.13008(13) 0.0413(6) Uani 1 1 d . . . . .
O7 O 0.7287(3) 0.4330(2) 0.30214(18) 0.0632(9) Uani 1 1 d . . . . .
O8 O 0.7747(3) 0.0953(2) 0.19747(17) 0.0661(10) Uani 1 1 d . . . . .
C63 C 0.5358(3) 0.1547(3) 0.2558(2) 0.0478(9) Uani 1 1 d . . . . .
H63A H 0.5606 0.0976 0.2412 0.057 Uiso 1 1 calc R . . . .
H63B H 0.4700 0.1459 0.2486 0.057 Uiso 1 1 calc R . . . .
C64 C 0.5643(3) 0.1852(3) 0.3258(2) 0.0495(10) Uani 1 1 d . . . . .
H64A H 0.5487 0.2468 0.3387 0.059 Uiso 1 1 calc R . . . .
H64B H 0.5339 0.1465 0.3521 0.059 Uiso 1 1 calc R . . . .
C65 C 0.6920(4) 0.1991(4) 0.4009(2) 0.0574(12) Uani 1 1 d . . . . .
H65A H 0.6597 0.1597 0.4257 0.069 Uiso 1 1 calc R . . . .
H65B H 0.6839 0.2615 0.4187 0.069 Uiso 1 1 calc R . . . .
C66 C 0.7890(4) 0.1837(4) 0.4057(2) 0.0559(11) Uani 1 1 d . . . . .
H66A H 0.8128 0.1901 0.4513 0.067 Uiso 1 1 calc R . . . .
H66B H 0.7974 0.1229 0.3846 0.067 Uiso 1 1 calc R . . . .
C67 C 0.9277(3) 0.2353(3) 0.3755(2) 0.0516(10) Uani 1 1 d . . . . .
H67A H 0.9367 0.1759 0.3520 0.062 Uiso 1 1 calc R . . . .
H67B H 0.9548 0.2395 0.4202 0.062 Uiso 1 1 calc R . . . .
C68 C 0.9707(3) 0.3058(3) 0.3440(2) 0.0541(11) Uani 1 1 d . . . . .
H68A H 0.9567 0.3650 0.3648 0.065 Uiso 1 1 calc R . . . .
H68B H 1.0362 0.3032 0.3486 0.065 Uiso 1 1 calc R . . . .
C69 C 0.9739(3) 0.3601(3) 0.2460(2) 0.0513(10) Uani 1 1 d . . . . .
H69A H 1.0398 0.3621 0.2504 0.062 Uiso 1 1 calc R . . . .
H69B H 0.9561 0.4184 0.2657 0.062 Uiso 1 1 calc R . . . .
C70 C 0.9393(3) 0.3414(3) 0.1763(2) 0.0488(10) Uani 1 1 d . . . . .
H70A H 0.9688 0.3843 0.1526 0.059 Uiso 1 1 calc R . . . .
H70B H 0.9521 0.2808 0.1574 0.059 Uiso 1 1 calc R . . . .
C71 C 0.8109(3) 0.3457(3) 0.10701(19) 0.0449(9) Uani 1 1 d . . . . .
H71A H 0.8243 0.2896 0.0809 0.054 Uiso 1 1 calc R . . . .
H71B H 0.8381 0.3959 0.0888 0.054 Uiso 1 1 calc R . . . .
C72 C 0.7124(3) 0.3511(3) 0.1056(2) 0.0441(9) Uani 1 1 d . . . . .
H72A H 0.6992 0.4070 0.1320 0.053 Uiso 1 1 calc R . . . .
H72B H 0.6865 0.3509 0.0610 0.053 Uiso 1 1 calc R . . . .
C73 C 0.5793(3) 0.2708(3) 0.1214(2) 0.0512(10) Uani 1 1 d . . . . .
H73A H 0.5585 0.2588 0.0751 0.061 Uiso 1 1 calc R . . . .
H73B H 0.5568 0.3274 0.1403 0.061 Uiso 1 1 calc R . . . .
C74 C 0.5450(3) 0.1972(3) 0.1537(2) 0.0505(10) Uani 1 1 d . . . . .
H74A H 0.4795 0.1872 0.1443 0.061 Uiso 1 1 calc R . . . .
H74B H 0.5718 0.1417 0.1376 0.061 Uiso 1 1 calc R . . . .
C75 C 0.6463(4) 0.4650(5) 0.2806(3) 0.0713(15) Uani 1 1 d . . . . .
H75A H 0.6129 0.4206 0.2465 0.086 Uiso 1 1 calc R . . . .
H75B H 0.6573 0.5210 0.2632 0.086 Uiso 1 1 calc R . . . .
C76 C 0.5953(5) 0.4805(5) 0.3375(3) 0.0858(19) Uani 1 1 d . . . . .
H76A H 0.5652 0.5363 0.3384 0.103 Uiso 1 1 calc R . . . .
H76B H 0.5497 0.4308 0.3369 0.103 Uiso 1 1 calc R . . . .
C77 C 0.6607(5) 0.4865(5) 0.3929(3) 0.089(2) Uani 1 1 d . . . . .
H77A H 0.6457 0.4401 0.4191 0.107 Uiso 1 1 calc R . . . .
H77B H 0.6620 0.5454 0.4201 0.107 Uiso 1 1 calc R . . . .
C78 C 0.7505(5) 0.4733(5) 0.3674(3) 0.0847(19) Uani 1 1 d . . . . .
H78A H 0.7859 0.5309 0.3702 0.102 Uiso 1 1 calc R . . . .
H78B H 0.7849 0.4341 0.3917 0.102 Uiso 1 1 calc R . . . .
C79 C 0.8312(5) 0.0404(4) 0.2280(3) 0.0767(18) Uani 1 1 d . . . . .
H79A H 0.7970 0.0051 0.2547 0.092 Uiso 1 1 calc R . . . .
H79B H 0.8801 0.0769 0.2560 0.092 Uiso 1 1 calc R . . . .
C80 C 0.8677(4) -0.0194(4) 0.1760(3) 0.0668(14) Uani 1 1 d . . . . .
H80A H 0.9272 -0.0368 0.1903 0.080 Uiso 1 1 calc R . . . .
H80B H 0.8273 -0.0735 0.1609 0.080 Uiso 1 1 calc R . . . .
C81 C 0.8729(5) 0.0380(5) 0.1254(3) 0.0799(18) Uani 1 1 d . . . . .
H81A H 0.9314 0.0727 0.1303 0.096 Uiso 1 1 calc R . . . .
H81B H 0.8640 0.0019 0.0821 0.096 Uiso 1 1 calc R . . . .
C82 C 0.8001(6) 0.0973(5) 0.1355(3) 0.084(2) Uani 1 1 d . . . . .
H82A H 0.8207 0.1587 0.1309 0.100 Uiso 1 1 calc R . . . .
H82B H 0.7487 0.0770 0.1032 0.100 Uiso 1 1 calc R . . . .
O9 O 0.1581(3) 0.2850(3) 0.43172(19) 0.0820(13) Uani 1 1 d . . . . .
C83 C 0.1972(11) 0.2012(6) 0.4350(4) 0.086(3) Uani 0.74(3) 1 d . . P A 1
H83A H 0.1574 0.1512 0.4106 0.103 Uiso 0.74(3) 1 calc R . P A 1
H83B H 0.2554 0.2013 0.4169 0.103 Uiso 0.74(3) 1 calc R . P A 1
C83A C 0.1487(18) 0.1979(9) 0.4428(9) 0.056(7) Uiso 0.26(3) 1 d . . P A 2
H83C H 0.1660 0.1570 0.4058 0.067 Uiso 0.26(3) 1 calc R . P A 2
H83D H 0.0861 0.1813 0.4492 0.067 Uiso 0.26(3) 1 calc R . P A 2
C84 C 0.2083(7) 0.1931(5) 0.5016(3) 0.096(2) Uani 1 1 d . . . . .
H84A H 0.2578 0.1560 0.5106 0.115 Uiso 0.74(3) 1 calc R . P A 1
H84B H 0.1531 0.1664 0.5153 0.115 Uiso 0.74(3) 1 calc R . P A 1
H84C H 0.1782 0.1569 0.5297 0.115 Uiso 0.26(3) 1 calc R . P A 2
H84D H 0.2637 0.1659 0.4902 0.115 Uiso 0.26(3) 1 calc R . P A 2
C85 C 0.2285(4) 0.2842(4) 0.5340(2) 0.0660(13) Uani 1 1 d . . . . .
H85A H 0.2935 0.2969 0.5453 0.079 Uiso 1 1 calc R . . . .
H85B H 0.1982 0.2945 0.5738 0.079 Uiso 1 1 calc R . . . .
C86 C 0.1954(5) 0.3411(4) 0.4879(3) 0.0793(17) Uani 1 1 d . . . . .
H86A H 0.1498 0.3782 0.5063 0.095 Uiso 1 1 calc R . . . .
H86B H 0.2450 0.3807 0.4779 0.095 Uiso 1 1 calc R . . . .
O10 O 0.6277(5) 0.7853(5) -0.0408(3) 0.125(2) Uani 1 1 d . . . . .
C87A C 0.6910(16) 0.7449(13) -0.0021(10) 0.082(5) Uiso 0.36(3) 1 d . . P B 1
H87A H 0.7454 0.7332 -0.0239 0.098 Uiso 0.36(3) 1 calc R . P B 1
H87B H 0.6651 0.6889 0.0093 0.098 Uiso 0.36(3) 1 calc R . P B 1
C88A C 0.7090(17) 0.8134(13) 0.0536(12) 0.086(5) Uiso 0.36(3) 1 d . . P B 1
H88A H 0.7033 0.7863 0.0928 0.103 Uiso 0.36(3) 1 calc R . P B 1
H88B H 0.7712 0.8391 0.0553 0.103 Uiso 0.36(3) 1 calc R . P B 1
C90 C 0.6136(9) 0.8714(7) -0.0103(5) 0.133(3) Uani 1 1 d . . . . .
H90A H 0.6417 0.9165 -0.0329 0.160 Uiso 1 1 calc R . . . .
H90B H 0.5490 0.8791 -0.0116 0.160 Uiso 1 1 calc R . . . .
C89 C 0.6508(8) 0.8826(7) 0.0531(4) 0.130(3) Uani 1 1 d . . . . .
H89A H 0.6043 0.8764 0.0827 0.156 Uiso 0.36(3) 1 calc R . P B 1
H89B H 0.6840 0.9415 0.0657 0.156 Uiso 0.36(3) 1 calc R . P B 1
H89C H 0.6080 0.9080 0.0822 0.156 Uiso 0.64(3) 1 calc R . P B 2
H89D H 0.7053 0.9237 0.0590 0.156 Uiso 0.64(3) 1 calc R . P B 2
C87 C 0.6599(15) 0.7371(9) 0.0099(5) 0.097(3) Uani 0.64(3) 1 d . . P B 2
H87C H 0.6160 0.6877 0.0138 0.116 Uiso 0.64(3) 1 calc R . P B 2
H87D H 0.7170 0.7123 0.0003 0.116 Uiso 0.64(3) 1 calc R . P B 2
C88 C 0.6718(15) 0.7991(8) 0.0673(6) 0.096(3) Uani 0.64(3) 1 d . . P B 2
H88C H 0.6325 0.7803 0.0986 0.115 Uiso 0.64(3) 1 calc R . P B 2
H88D H 0.7343 0.8024 0.0864 0.115 Uiso 0.64(3) 1 calc R . P B 2


_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 N1 2.468(3) . ?
Y1 N2 2.470(3) . ?
Y1 N3 2.473(3) . ?
Y1 N4 2.479(3) . ?
Y1 C1 2.459(3) . ?
Y1 C32 2.455(3) . ?
P1 N1 1.619(3) . ?
P1 C1 1.629(4) . ?
P1 C2 1.837(4) . ?
P1 C8 1.840(3) . ?
P2 N2 1.618(3) . ?
P2 C1 1.638(4) . ?
P2 C17 1.841(4) . ?
P2 C23 1.837(4) . ?
P3 N3 1.617(3) . ?
P3 C32 1.631(4) . ?
P3 C33 1.838(4) . ?
P3 C39 1.836(4) . ?
P4 N4 1.617(3) . ?
P4 C32 1.640(4) . ?
P4 C48 1.831(4) . ?
P4 C54 1.842(3) . ?
Si1 N1 1.713(3) . ?
Si1 C14 1.893(4) . ?
Si1 C15 1.889(4) . ?
Si1 C16 1.861(4) . ?
Si2 N2 1.711(3) . ?
Si2 C29 1.884(4) . ?
Si2 C30 1.882(4) . ?
Si2 C31 1.870(4) . ?
Si3 N3 1.710(3) . ?
Si3 C45 1.890(5) . ?
Si3 C46 1.870(5) . ?
Si3 C47 1.865(4) . ?
Si4 N4 1.715(3) . ?
Si4 C60 1.885(4) . ?
Si4 C61 1.871(4) . ?
Si4 C62 1.888(4) . ?
C2 C3 1.383(6) . ?
C2 C7 1.396(6) . ?
C3 H3 0.9500 . ?
C3 C4 1.401(6) . ?
C4 H4 0.9500 . ?
C4 C5 1.374(8) . ?
C5 H5 0.9500 . ?
C5 C6 1.375(8) . ?
C6 H6 0.9500 . ?
C6 C7 1.400(6) . ?
C7 H7 0.9500 . ?
C8 C9 1.376(5) . ?
C8 C13 1.398(6) . ?
C9 H9 0.9500 . ?
C9 C10 1.390(5) . ?
C10 H10 0.9500 . ?
C10 C11 1.373(7) . ?
C11 H11 0.9500 . ?
C11 C12 1.394(7) . ?
C12 H12 0.9500 . ?
C12 C13 1.383(6) . ?
C13 H13 0.9500 . ?
C14 H14A 0.9800 . ?
C14 H14B 0.9800 . ?
C14 H14C 0.9800 . ?
C15 H15A 0.9800 . ?
C15 H15B 0.9800 . ?
C15 H15C 0.9800 . ?
C16 H16A 0.9800 . ?
C16 H16B 0.9800 . ?
C16 H16C 0.9800 . ?
C17 C18 1.392(5) . ?
C17 C22 1.388(5) . ?
C18 H18 0.9500 . ?
C18 C19 1.389(5) . ?
C19 H19 0.9500 . ?
C19 C20 1.384(6) . ?
C20 H20 0.9500 . ?
C20 C21 1.397(6) . ?
C21 H21 0.9500 . ?
C21 C22 1.386(5) . ?
C22 H22 0.9500 . ?
C23 C24 1.376(6) . ?
C23 C28 1.403(6) . ?
C24 H24 0.9500 . ?
C24 C25 1.403(6) . ?
C25 H25 0.9500 . ?
C25 C26 1.370(9) . ?
C26 H26 0.9500 . ?
C26 C27 1.384(8) . ?
C27 H27 0.9500 . ?
C27 C28 1.375(6) . ?
C28 H28 0.9500 . ?
C29 H29A 0.9800 . ?
C29 H29B 0.9800 . ?
C29 H29C 0.9800 . ?
C30 H30A 0.9800 . ?
C30 H30B 0.9800 . ?
C30 H30C 0.9800 . ?
C31 H31A 0.9800 . ?
C31 H31B 0.9800 . ?
C31 H31C 0.9800 . ?
C33 C34 1.391(5) . ?
C33 C38 1.392(5) . ?
C34 H34 0.9500 . ?
C34 C35 1.387(6) . ?
C35 H35 0.9500 . ?
C35 C36 1.385(7) . ?
C36 H36 0.9500 . ?
C36 C37 1.382(6) . ?
C37 H37 0.9500 . ?
C37 C38 1.388(5) . ?
C38 H38 0.9500 . ?
C39 C40 1.397(6) . ?
C39 C44 1.385(6) . ?
C40 H40 0.9500 . ?
C40 C41 1.379(6) . ?
C41 H41 0.9500 . ?
C41 C42 1.379(7) . ?
C42 H42 0.9500 . ?
C42 C43 1.394(7) . ?
C43 H43 0.9500 . ?
C43 C44 1.383(6) . ?
C44 H44 0.9500 . ?
C45 H45A 0.9800 . ?
C45 H45B 0.9800 . ?
C45 H45C 0.9800 . ?
C46 H46A 0.9800 . ?
C46 H46B 0.9800 . ?
C46 H46C 0.9800 . ?
C47 H47A 0.9800 . ?
C47 H47B 0.9800 . ?
C47 H47C 0.9800 . ?
C48 C49 1.396(5) . ?
C48 C53 1.387(5) . ?
C49 H49 0.9500 . ?
C49 C50 1.381(6) . ?
C50 H50 0.9500 . ?
C50 C51 1.391(7) . ?
C51 H51 0.9500 . ?
C51 C52 1.382(8) . ?
C52 H52 0.9500 . ?
C52 C53 1.383(7) . ?
C53 H53 0.9500 . ?
C54 C55 1.373(6) . ?
C54 C59 1.395(5) . ?
C55 H55 0.9500 . ?
C55 C56 1.407(5) . ?
C56 H56 0.9500 . ?
C56 C57 1.366(6) . ?
C57 H57 0.9500 . ?
C57 C58 1.377(7) . ?
C58 H58 0.9500 . ?
C58 C59 1.396(5) . ?
C59 H59 0.9500 . ?
C60 H60A 0.9800 . ?
C60 H60B 0.9800 . ?
C60 H60C 0.9800 . ?
C61 H61A 0.9800 . ?
C61 H61B 0.9800 . ?
C61 H61C 0.9800 . ?
C62 H62A 0.9800 . ?
C62 H62B 0.9800 . ?
C62 H62C 0.9800 . ?
K1 O1 2.832(3) . ?
K1 O2 2.744(3) . ?
K1 O3 2.820(3) . ?
K1 O4 2.803(3) . ?
K1 O5 2.752(3) . ?
K1 O6 2.811(3) . ?
K1 O7 2.714(4) . ?
K1 O8 2.701(4) . ?
O1 C63 1.419(5) . ?
O1 C74 1.421(5) . ?
O2 C64 1.426(6) . ?
O2 C65 1.414(6) . ?
O3 C66 1.418(6) . ?
O3 C67 1.426(6) . ?
O4 C68 1.422(5) . ?
O4 C69 1.420(6) . ?
O5 C70 1.412(5) . ?
O5 C71 1.415(5) . ?
O6 C72 1.423(5) . ?
O6 C73 1.421(5) . ?
O7 C75 1.431(7) . ?
O7 C78 1.427(7) . ?
O8 C79 1.419(7) . ?
O8 C82 1.403(7) . ?
C63 H63A 0.9900 . ?
C63 H63B 0.9900 . ?
C63 C64 1.502(7) . ?
C64 H64A 0.9900 . ?
C64 H64B 0.9900 . ?
C65 H65A 0.9900 . ?
C65 H65B 0.9900 . ?
C65 C66 1.496(7) . ?
C66 H66A 0.9900 . ?
C66 H66B 0.9900 . ?
C67 H67A 0.9900 . ?
C67 H67B 0.9900 . ?
C67 C68 1.493(8) . ?
C68 H68A 0.9900 . ?
C68 H68B 0.9900 . ?
C69 H69A 0.9900 . ?
C69 H69B 0.9900 . ?
C69 C70 1.502(6) . ?
C70 H70A 0.9900 . ?
C70 H70B 0.9900 . ?
C71 H71A 0.9900 . ?
C71 H71B 0.9900 . ?
C71 C72 1.496(6) . ?
C72 H72A 0.9900 . ?
C72 H72B 0.9900 . ?
C73 H73A 0.9900 . ?
C73 H73B 0.9900 . ?
C73 C74 1.489(7) . ?
C74 H74A 0.9900 . ?
C74 H74B 0.9900 . ?
C75 H75A 0.9900 . ?
C75 H75B 0.9900 . ?
C75 C76 1.484(8) . ?
C76 H76A 0.9900 . ?
C76 H76B 0.9900 . ?
C76 C77 1.454(11) . ?
C77 H77A 0.9900 . ?
C77 H77B 0.9900 . ?
C77 C78 1.518(10) . ?
C78 H78A 0.9900 . ?
C78 H78B 0.9900 . ?
C79 H79A 0.9900 . ?
C79 H79B 0.9900 . ?
C79 C80 1.490(8) . ?
C80 H80A 0.9900 . ?
C80 H80B 0.9900 . ?
C80 C81 1.487(9) . ?
C81 H81A 0.9900 . ?
C81 H81B 0.9900 . ?
C81 C82 1.481(8) . ?
C82 H82A 0.9900 . ?
C82 H82B 0.9900 . ?
O9 C83 1.454(10) . ?
O9 C83A 1.386(13) . ?
O9 C86 1.407(7) . ?
C83 H83A 0.9900 . ?
C83 H83B 0.9900 . ?
C83 C84 1.430(9) . ?
C83A H83C 0.9900 . ?
C83A H83D 0.9900 . ?
C83A C84 1.487(14) . ?
C84 H84A 0.9900 . ?
C84 H84B 0.9900 . ?
C84 H84C 0.9900 . ?
C84 H84D 0.9900 . ?
C84 C85 1.458(9) . ?
C85 H85A 0.9900 . ?
C85 H85B 0.9900 . ?
C85 C86 1.479(7) . ?
C86 H86A 0.9900 . ?
C86 H86B 0.9900 . ?
O10 C87A 1.435(14) . ?
O10 C90 1.414(10) . ?
O10 C87 1.456(11) . ?
C87A H87A 0.9900 . ?
C87A H87B 0.9900 . ?
C87A C88A 1.448(14) . ?
C88A H88A 0.9900 . ?
C88A H88B 0.9900 . ?
C88A C89 1.418(16) . ?
C90 H90A 0.9900 . ?
C90 H90B 0.9900 . ?
C90 C89 1.390(10) . ?
C89 H89A 0.9900 . ?
C89 H89B 0.9900 . ?
C89 H89C 0.9900 . ?
C89 H89D 0.9900 . ?
C89 C88 1.403(13) . ?
C87 H87C 0.9900 . ?
C87 H87D 0.9900 . ?
C87 C88 1.415(11) . ?
C88 H88C 0.9900 . ?
C88 H88D 0.9900 . ?

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
N1 Y1 N2 128.72(10) . . ?
N1 Y1 N3 101.39(9) . . ?
N1 Y1 N4 101.22(9) . . ?
N2 Y1 N3 101.19(10) . . ?
N2 Y1 N4 99.51(9) . . ?
N3 Y1 N4 128.51(9) . . ?
C1 Y1 N1 64.44(11) . . ?
C1 Y1 N2 64.37(11) . . ?
C1 Y1 N3 113.79(11) . . ?
C1 Y1 N4 117.68(11) . . ?
C32 Y1 N1 113.14(10) . . ?
C32 Y1 N2 118.13(10) . . ?
C32 Y1 N3 64.29(11) . . ?
C32 Y1 N4 64.34(10) . . ?
C32 Y1 C1 176.86(11) . . ?
N1 P1 C1 107.92(16) . . ?
N1 P1 C2 110.78(16) . . ?
N1 P1 C8 110.00(16) . . ?
C1 P1 C2 112.94(18) . . ?
C1 P1 C8 112.57(18) . . ?
C2 P1 C8 102.59(16) . . ?
N2 P2 C1 107.46(16) . . ?
N2 P2 C17 110.62(15) . . ?
N2 P2 C23 113.23(17) . . ?
C1 P2 C17 112.62(17) . . ?
C1 P2 C23 111.80(19) . . ?
C23 P2 C17 101.15(16) . . ?
N3 P3 C32 107.70(16) . . ?
N3 P3 C33 114.52(15) . . ?
N3 P3 C39 109.83(17) . . ?
C32 P3 C33 111.89(17) . . ?
C32 P3 C39 112.06(17) . . ?
C39 P3 C33 100.81(16) . . ?
N4 P4 C32 107.52(16) . . ?
N4 P4 C48 109.27(16) . . ?
N4 P4 C54 112.68(15) . . ?
C32 P4 C48 112.47(17) . . ?
C32 P4 C54 112.88(17) . . ?
C48 P4 C54 102.01(16) . . ?
N1 Si1 C14 113.77(18) . . ?
N1 Si1 C15 115.07(17) . . ?
N1 Si1 C16 109.37(16) . . ?
C15 Si1 C14 104.2(2) . . ?
C16 Si1 C14 106.2(2) . . ?
C16 Si1 C15 107.7(2) . . ?
N2 Si2 C29 114.81(16) . . ?
N2 Si2 C30 112.81(17) . . ?
N2 Si2 C31 108.46(16) . . ?
C30 Si2 C29 106.25(18) . . ?
C31 Si2 C29 106.43(19) . . ?
C31 Si2 C30 107.7(2) . . ?
N3 Si3 C45 115.4(2) . . ?
N3 Si3 C46 111.75(19) . . ?
N3 Si3 C47 108.68(17) . . ?
C46 Si3 C45 105.7(3) . . ?
C47 Si3 C45 105.2(2) . . ?
C47 Si3 C46 109.8(2) . . ?
N4 Si4 C60 115.49(16) . . ?
N4 Si4 C61 109.09(16) . . ?
N4 Si4 C62 112.41(16) . . ?
C60 Si4 C62 106.39(17) . . ?
C61 Si4 C60 104.98(18) . . ?
C61 Si4 C62 108.00(19) . . ?
P1 N1 Y1 93.55(13) . . ?
P1 N1 Si1 132.57(17) . . ?
Si1 N1 Y1 132.75(15) . . ?
P2 N2 Y1 94.13(13) . . ?
P2 N2 Si2 131.79(18) . . ?
Si2 N2 Y1 133.75(15) . . ?
P3 N3 Y1 93.81(13) . . ?
P3 N3 Si3 132.67(18) . . ?
Si3 N3 Y1 133.42(15) . . ?
P4 N4 Y1 93.91(13) . . ?
P4 N4 Si4 130.37(18) . . ?
Si4 N4 Y1 135.48(15) . . ?
P1 C1 Y1 93.64(16) . . ?
P1 C1 P2 168.9(2) . . ?
P2 C1 Y1 94.03(15) . . ?
C3 C2 P1 119.2(3) . . ?
C3 C2 C7 118.4(4) . . ?
C7 C2 P1 122.1(3) . . ?
C2 C3 H3 119.6 . . ?
C2 C3 C4 120.8(4) . . ?
C4 C3 H3 119.6 . . ?
C3 C4 H4 120.0 . . ?
C5 C4 C3 120.1(4) . . ?
C5 C4 H4 120.0 . . ?
C4 C5 H5 119.9 . . ?
C4 C5 C6 120.2(4) . . ?
C6 C5 H5 119.9 . . ?
C5 C6 H6 120.1 . . ?
C5 C6 C7 119.8(5) . . ?
C7 C6 H6 120.1 . . ?
C2 C7 C6 120.7(4) . . ?
C2 C7 H7 119.7 . . ?
C6 C7 H7 119.7 . . ?
C9 C8 P1 123.7(3) . . ?
C9 C8 C13 118.9(3) . . ?
C13 C8 P1 117.4(3) . . ?
C8 C9 H9 119.5 . . ?
C8 C9 C10 120.9(4) . . ?
C10 C9 H9 119.5 . . ?
C9 C10 H10 120.0 . . ?
C11 C10 C9 120.1(4) . . ?
C11 C10 H10 120.0 . . ?
C10 C11 H11 120.1 . . ?
C10 C11 C12 119.8(4) . . ?
C12 C11 H11 120.1 . . ?
C11 C12 H12 120.0 . . ?
C13 C12 C11 120.0(4) . . ?
C13 C12 H12 120.0 . . ?
C8 C13 H13 119.8 . . ?
C12 C13 C8 120.3(4) . . ?
C12 C13 H13 119.8 . . ?
Si1 C14 H14A 109.5 . . ?
Si1 C14 H14B 109.5 . . ?
Si1 C14 H14C 109.5 . . ?
H14A C14 H14B 109.5 . . ?
H14A C14 H14C 109.5 . . ?
H14B C14 H14C 109.5 . . ?
Si1 C15 H15A 109.5 . . ?
Si1 C15 H15B 109.5 . . ?
Si1 C15 H15C 109.5 . . ?
H15A C15 H15B 109.5 . . ?
H15A C15 H15C 109.5 . . ?
H15B C15 H15C 109.5 . . ?
Si1 C16 H16A 109.5 . . ?
Si1 C16 H16B 109.5 . . ?
Si1 C16 H16C 109.5 . . ?
H16A C16 H16B 109.5 . . ?
H16A C16 H16C 109.5 . . ?
H16B C16 H16C 109.5 . . ?
C18 C17 P2 123.1(3) . . ?
C22 C17 P2 118.1(3) . . ?
C22 C17 C18 118.3(3) . . ?
C17 C18 H18 119.7 . . ?
C19 C18 C17 120.7(3) . . ?
C19 C18 H18 119.7 . . ?
C18 C19 H19 119.6 . . ?
C20 C19 C18 120.8(4) . . ?
C20 C19 H19 119.6 . . ?
C19 C20 H20 120.7 . . ?
C19 C20 C21 118.7(4) . . ?
C21 C20 H20 120.7 . . ?
C20 C21 H21 119.9 . . ?
C22 C21 C20 120.2(3) . . ?
C22 C21 H21 119.9 . . ?
C17 C22 H22 119.4 . . ?
C21 C22 C17 121.2(3) . . ?
C21 C22 H22 119.4 . . ?
C24 C23 P2 119.0(3) . . ?
C24 C23 C28 118.4(4) . . ?
C28 C23 P2 122.5(3) . . ?
C23 C24 H24 119.6 . . ?
C23 C24 C25 120.9(5) . . ?
C25 C24 H24 119.6 . . ?
C24 C25 H25 120.1 . . ?
C26 C25 C24 119.9(5) . . ?
C26 C25 H25 120.1 . . ?
C25 C26 H26 120.2 . . ?
C25 C26 C27 119.7(4) . . ?
C27 C26 H26 120.2 . . ?
C26 C27 H27 119.6 . . ?
C28 C27 C26 120.7(5) . . ?
C28 C27 H27 119.6 . . ?
C23 C28 H28 119.8 . . ?
C27 C28 C23 120.4(4) . . ?
C27 C28 H28 119.8 . . ?
Si2 C29 H29A 109.5 . . ?
Si2 C29 H29B 109.5 . . ?
Si2 C29 H29C 109.5 . . ?
H29A C29 H29B 109.5 . . ?
H29A C29 H29C 109.5 . . ?
H29B C29 H29C 109.5 . . ?
Si2 C30 H30A 109.5 . . ?
Si2 C30 H30B 109.5 . . ?
Si2 C30 H30C 109.5 . . ?
H30A C30 H30B 109.5 . . ?
H30A C30 H30C 109.5 . . ?
H30B C30 H30C 109.5 . . ?
Si2 C31 H31A 109.5 . . ?
Si2 C31 H31B 109.5 . . ?
Si2 C31 H31C 109.5 . . ?
H31A C31 H31B 109.5 . . ?
H31A C31 H31C 109.5 . . ?
H31B C31 H31C 109.5 . . ?
P3 C32 Y1 94.12(15) . . ?
P3 C32 P4 169.4(2) . . ?
P4 C32 Y1 94.20(15) . . ?
C34 C33 P3 123.9(3) . . ?
C34 C33 C38 118.0(3) . . ?
C38 C33 P3 118.0(3) . . ?
C33 C34 H34 119.7 . . ?
C35 C34 C33 120.7(4) . . ?
C35 C34 H34 119.7 . . ?
C34 C35 H35 119.5 . . ?
C36 C35 C34 121.0(4) . . ?
C36 C35 H35 119.5 . . ?
C35 C36 H36 120.7 . . ?
C37 C36 C35 118.6(4) . . ?
C37 C36 H36 120.7 . . ?
C36 C37 H37 119.7 . . ?
C36 C37 C38 120.7(4) . . ?
C38 C37 H37 119.7 . . ?
C33 C38 H38 119.5 . . ?
C37 C38 C33 121.0(4) . . ?
C37 C38 H38 119.5 . . ?
C40 C39 P3 121.2(3) . . ?
C44 C39 P3 119.1(3) . . ?
C44 C39 C40 118.6(4) . . ?
C39 C40 H40 119.7 . . ?
C41 C40 C39 120.5(4) . . ?
C41 C40 H40 119.7 . . ?
C40 C41 H41 119.7 . . ?
C42 C41 C40 120.5(4) . . ?
C42 C41 H41 119.7 . . ?
C41 C42 H42 120.3 . . ?
C41 C42 C43 119.4(4) . . ?
C43 C42 H42 120.3 . . ?
C42 C43 H43 120.0 . . ?
C44 C43 C42 119.9(4) . . ?
C44 C43 H43 120.0 . . ?
C39 C44 H44 119.5 . . ?
C43 C44 C39 120.9(4) . . ?
C43 C44 H44 119.5 . . ?
Si3 C45 H45A 109.5 . . ?
Si3 C45 H45B 109.5 . . ?
Si3 C45 H45C 109.5 . . ?
H45A C45 H45B 109.5 . . ?
H45A C45 H45C 109.5 . . ?
H45B C45 H45C 109.5 . . ?
Si3 C46 H46A 109.5 . . ?
Si3 C46 H46B 109.5 . . ?
Si3 C46 H46C 109.5 . . ?
H46A C46 H46B 109.5 . . ?
H46A C46 H46C 109.5 . . ?
H46B C46 H46C 109.5 . . ?
Si3 C47 H47A 109.5 . . ?
Si3 C47 H47B 109.5 . . ?
Si3 C47 H47C 109.5 . . ?
H47A C47 H47B 109.5 . . ?
H47A C47 H47C 109.5 . . ?
H47B C47 H47C 109.5 . . ?
C49 C48 P4 116.8(3) . . ?
C53 C48 P4 125.3(3) . . ?
C53 C48 C49 117.8(4) . . ?
C48 C49 H49 119.3 . . ?
C50 C49 C48 121.4(4) . . ?
C50 C49 H49 119.3 . . ?
C49 C50 H50 120.0 . . ?
C49 C50 C51 119.9(4) . . ?
C51 C50 H50 120.0 . . ?
C50 C51 H51 120.4 . . ?
C52 C51 C50 119.1(4) . . ?
C52 C51 H51 120.4 . . ?
C51 C52 H52 119.7 . . ?
C51 C52 C53 120.6(4) . . ?
C53 C52 H52 119.7 . . ?
C48 C53 H53 119.5 . . ?
C52 C53 C48 121.1(4) . . ?
C52 C53 H53 119.5 . . ?
C55 C54 P4 118.0(3) . . ?
C55 C54 C59 118.9(3) . . ?
C59 C54 P4 123.1(3) . . ?
C54 C55 H55 119.5 . . ?
C54 C55 C56 121.0(4) . . ?
C56 C55 H55 119.5 . . ?
C55 C56 H56 120.2 . . ?
C57 C56 C55 119.5(4) . . ?
C57 C56 H56 120.2 . . ?
C56 C57 H57 119.8 . . ?
C56 C57 C58 120.3(4) . . ?
C58 C57 H57 119.8 . . ?
C57 C58 H58 119.8 . . ?
C57 C58 C59 120.4(4) . . ?
C59 C58 H58 119.8 . . ?
C54 C59 C58 119.9(4) . . ?
C54 C59 H59 120.1 . . ?
C58 C59 H59 120.1 . . ?
Si4 C60 H60A 109.5 . . ?
Si4 C60 H60B 109.5 . . ?
Si4 C60 H60C 109.5 . . ?
H60A C60 H60B 109.5 . . ?
H60A C60 H60C 109.5 . . ?
H60B C60 H60C 109.5 . . ?
Si4 C61 H61A 109.5 . . ?
Si4 C61 H61B 109.5 . . ?
Si4 C61 H61C 109.5 . . ?
H61A C61 H61B 109.5 . . ?
H61A C61 H61C 109.5 . . ?
H61B C61 H61C 109.5 . . ?
Si4 C62 H62A 109.5 . . ?
Si4 C62 H62B 109.5 . . ?
Si4 C62 H62C 109.5 . . ?
H62A C62 H62B 109.5 . . ?
H62A C62 H62C 109.5 . . ?
H62B C62 H62C 109.5 . . ?
O2 K1 O1 61.36(9) . . ?
O2 K1 O3 60.40(10) . . ?
O2 K1 O4 119.25(10) . . ?
O2 K1 O5 178.48(9) . . ?
O2 K1 O6 120.19(9) . . ?
O3 K1 O1 121.04(9) . . ?
O4 K1 O1 175.51(8) . . ?
O4 K1 O3 60.50(9) . . ?
O4 K1 O6 118.74(9) . . ?
O5 K1 O1 118.47(9) . . ?
O5 K1 O3 119.50(10) . . ?
O5 K1 O4 61.06(9) . . ?
O5 K1 O6 59.94(9) . . ?
O6 K1 O1 59.67(8) . . ?
O6 K1 O3 179.04(9) . . ?
O7 K1 O1 92.19(11) . . ?
O7 K1 O2 97.70(11) . . ?
O7 K1 O3 87.02(11) . . ?
O7 K1 O4 92.11(11) . . ?
O7 K1 O5 80.79(10) . . ?
O7 K1 O6 93.61(10) . . ?
O8 K1 O1 86.80(12) . . ?
O8 K1 O2 84.37(11) . . ?
O8 K1 O3 95.98(11) . . ?
O8 K1 O4 88.83(12) . . ?
O8 K1 O5 97.13(10) . . ?
O8 K1 O6 83.38(10) . . ?
O8 K1 O7 176.93(11) . . ?
C63 O1 K1 110.7(2) . . ?
C63 O1 C74 112.4(3) . . ?
C74 O1 K1 112.4(2) . . ?
C64 O2 K1 114.4(2) . . ?
C65 O2 K1 116.0(3) . . ?
C65 O2 C64 113.1(3) . . ?
C66 O3 K1 113.7(3) . . ?
C66 O3 C67 112.6(4) . . ?
C67 O3 K1 113.3(2) . . ?
C68 O4 K1 114.8(3) . . ?
C69 O4 K1 112.3(3) . . ?
C69 O4 C68 111.6(3) . . ?
C70 O5 K1 115.8(2) . . ?
C70 O5 C71 111.7(3) . . ?
C71 O5 K1 119.5(2) . . ?
C72 O6 K1 112.3(2) . . ?
C73 O6 K1 116.8(2) . . ?
C73 O6 C72 112.4(3) . . ?
C75 O7 K1 115.6(3) . . ?
C78 O7 K1 125.7(4) . . ?
C78 O7 C75 107.0(4) . . ?
C79 O8 K1 121.4(3) . . ?
C82 O8 K1 108.9(3) . . ?
C82 O8 C79 108.2(4) . . ?
O1 C63 H63A 110.1 . . ?
O1 C63 H63B 110.1 . . ?
O1 C63 C64 108.2(4) . . ?
H63A C63 H63B 108.4 . . ?
C64 C63 H63A 110.1 . . ?
C64 C63 H63B 110.1 . . ?
O2 C64 C63 107.8(3) . . ?
O2 C64 H64A 110.1 . . ?
O2 C64 H64B 110.1 . . ?
C63 C64 H64A 110.1 . . ?
C63 C64 H64B 110.1 . . ?
H64A C64 H64B 108.5 . . ?
O2 C65 H65A 110.0 . . ?
O2 C65 H65B 110.0 . . ?
O2 C65 C66 108.3(4) . . ?
H65A C65 H65B 108.4 . . ?
C66 C65 H65A 110.0 . . ?
C66 C65 H65B 110.0 . . ?
O3 C66 C65 108.7(4) . . ?
O3 C66 H66A 109.9 . . ?
O3 C66 H66B 109.9 . . ?
C65 C66 H66A 109.9 . . ?
C65 C66 H66B 109.9 . . ?
H66A C66 H66B 108.3 . . ?
O3 C67 H67A 109.9 . . ?
O3 C67 H67B 109.9 . . ?
O3 C67 C68 108.9(4) . . ?
H67A C67 H67B 108.3 . . ?
C68 C67 H67A 109.9 . . ?
C68 C67 H67B 109.9 . . ?
O4 C68 C67 109.0(4) . . ?
O4 C68 H68A 109.9 . . ?
O4 C68 H68B 109.9 . . ?
C67 C68 H68A 109.9 . . ?
C67 C68 H68B 109.9 . . ?
H68A C68 H68B 108.3 . . ?
O4 C69 H69A 109.8 . . ?
O4 C69 H69B 109.8 . . ?
O4 C69 C70 109.3(4) . . ?
H69A C69 H69B 108.3 . . ?
C70 C69 H69A 109.8 . . ?
C70 C69 H69B 109.8 . . ?
O5 C70 C69 108.3(3) . . ?
O5 C70 H70A 110.0 . . ?
O5 C70 H70B 110.0 . . ?
C69 C70 H70A 110.0 . . ?
C69 C70 H70B 110.0 . . ?
H70A C70 H70B 108.4 . . ?
O5 C71 H71A 110.0 . . ?
O5 C71 H71B 110.0 . . ?
O5 C71 C72 108.6(3) . . ?
H71A C71 H71B 108.4 . . ?
C72 C71 H71A 110.0 . . ?
C72 C71 H71B 110.0 . . ?
O6 C72 C71 109.4(3) . . ?
O6 C72 H72A 109.8 . . ?
O6 C72 H72B 109.8 . . ?
C71 C72 H72A 109.8 . . ?
C71 C72 H72B 109.8 . . ?
H72A C72 H72B 108.2 . . ?
O6 C73 H73A 110.0 . . ?
O6 C73 H73B 110.0 . . ?
O6 C73 C74 108.5(4) . . ?
H73A C73 H73B 108.4 . . ?
C74 C73 H73A 110.0 . . ?
C74 C73 H73B 110.0 . . ?
O1 C74 C73 108.7(4) . . ?
O1 C74 H74A 110.0 . . ?
O1 C74 H74B 110.0 . . ?
C73 C74 H74A 110.0 . . ?
C73 C74 H74B 110.0 . . ?
H74A C74 H74B 108.3 . . ?
O7 C75 H75A 110.5 . . ?
O7 C75 H75B 110.5 . . ?
O7 C75 C76 106.3(5) . . ?
H75A C75 H75B 108.7 . . ?
C76 C75 H75A 110.5 . . ?
C76 C75 H75B 110.5 . . ?
C75 C76 H76A 110.6 . . ?
C75 C76 H76B 110.6 . . ?
H76A C76 H76B 108.8 . . ?
C77 C76 C75 105.5(6) . . ?
C77 C76 H76A 110.6 . . ?
C77 C76 H76B 110.6 . . ?
C76 C77 H77A 110.3 . . ?
C76 C77 H77B 110.3 . . ?
C76 C77 C78 107.1(5) . . ?
H77A C77 H77B 108.6 . . ?
C78 C77 H77A 110.3 . . ?
C78 C77 H77B 110.3 . . ?
O7 C78 C77 104.1(6) . . ?
O7 C78 H78A 110.9 . . ?
O7 C78 H78B 110.9 . . ?
C77 C78 H78A 110.9 . . ?
C77 C78 H78B 110.9 . . ?
H78A C78 H78B 109.0 . . ?
O8 C79 H79A 110.4 . . ?
O8 C79 H79B 110.4 . . ?
O8 C79 C80 106.7(4) . . ?
H79A C79 H79B 108.6 . . ?
C80 C79 H79A 110.4 . . ?
C80 C79 H79B 110.4 . . ?
C79 C80 H80A 111.4 . . ?
C79 C80 H80B 111.4 . . ?
H80A C80 H80B 109.3 . . ?
C81 C80 C79 101.8(5) . . ?
C81 C80 H80A 111.4 . . ?
C81 C80 H80B 111.4 . . ?
C80 C81 H81A 110.9 . . ?
C80 C81 H81B 110.9 . . ?
H81A C81 H81B 108.9 . . ?
C82 C81 C80 104.5(5) . . ?
C82 C81 H81A 110.9 . . ?
C82 C81 H81B 110.9 . . ?
O8 C82 C81 108.3(5) . . ?
O8 C82 H82A 110.0 . . ?
O8 C82 H82B 110.0 . . ?
C81 C82 H82A 110.0 . . ?
C81 C82 H82B 110.0 . . ?
H82A C82 H82B 108.4 . . ?
C83A O9 C86 110.3(7) . . ?
C86 O9 C83 104.5(5) . . ?
O9 C83 H83A 110.5 . . ?
O9 C83 H83B 110.5 . . ?
H83A C83 H83B 108.7 . . ?
C84 C83 O9 106.0(7) . . ?
C84 C83 H83A 110.5 . . ?
C84 C83 H83B 110.5 . . ?
O9 C83A H83C 110.4 . . ?
O9 C83A H83D 110.4 . . ?
O9 C83A C84 106.6(10) . . ?
H83C C83A H83D 108.6 . . ?
C84 C83A H83C 110.4 . . ?
C84 C83A H83D 110.4 . . ?
C83 C84 H84A 111.0 . . ?
C83 C84 H84B 111.0 . . ?
C83 C84 C85 104.0(6) . . ?
C83A C84 H84C 110.5 . . ?
C83A C84 H84D 110.5 . . ?
H84A C84 H84B 109.0 . . ?
H84C C84 H84D 108.7 . . ?
C85 C84 C83A 106.2(8) . . ?
C85 C84 H84A 111.0 . . ?
C85 C84 H84B 111.0 . . ?
C85 C84 H84C 110.5 . . ?
C85 C84 H84D 110.5 . . ?
C84 C85 H85A 110.6 . . ?
C84 C85 H85B 110.6 . . ?
C84 C85 C86 105.8(5) . . ?
H85A C85 H85B 108.7 . . ?
C86 C85 H85A 110.6 . . ?
C86 C85 H85B 110.6 . . ?
O9 C86 C85 107.7(5) . . ?
O9 C86 H86A 110.2 . . ?
O9 C86 H86B 110.2 . . ?
C85 C86 H86A 110.2 . . ?
C85 C86 H86B 110.2 . . ?
H86A C86 H86B 108.5 . . ?
C90 O10 C87A 110.8(10) . . ?
C90 O10 C87 106.4(7) . . ?
O10 C87A H87A 111.6 . . ?
O10 C87A H87B 111.6 . . ?
O10 C87A C88A 100.7(14) . . ?
H87A C87A H87B 109.4 . . ?
C88A C87A H87A 111.6 . . ?
C88A C87A H87B 111.6 . . ?
C87A C88A H88A 109.0 . . ?
C87A C88A H88B 109.0 . . ?
H88A C88A H88B 107.8 . . ?
C89 C88A C87A 113.0(15) . . ?
C89 C88A H88A 109.0 . . ?
C89 C88A H88B 109.0 . . ?
O10 C90 H90A 109.9 . . ?
O10 C90 H90B 109.9 . . ?
H90A C90 H90B 108.3 . . ?
C89 C90 O10 108.9(8) . . ?
C89 C90 H90A 109.9 . . ?
C89 C90 H90B 109.9 . . ?
C88A C89 H89A 111.0 . . ?
C88A C89 H89B 111.0 . . ?
C90 C89 C88A 103.7(12) . . ?
C90 C89 H89A 111.0 . . ?
C90 C89 H89B 111.0 . . ?
C90 C89 H89C 110.1 . . ?
C90 C89 H89D 110.1 . . ?
C90 C89 C88 108.1(9) . . ?
H89A C89 H89B 109.0 . . ?
H89C C89 H89D 108.4 . . ?
C88 C89 H89C 110.1 . . ?
C88 C89 H89D 110.1 . . ?
O10 C87 H87C 110.4 . . ?
O10 C87 H87D 110.4 . . ?
H87C C87 H87D 108.6 . . ?
C88 C87 O10 106.5(9) . . ?
C88 C87 H87C 110.4 . . ?
C88 C87 H87D 110.4 . . ?
C89 C88 C87 108.8(9) . . ?
C89 C88 H88C 109.9 . . ?
C89 C88 H88D 109.9 . . ?
C87 C88 H88C 109.9 . . ?
C87 C88 H88D 109.9 . . ?
H88C C88 H88D 108.3 . . ?

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
P1 C2 C3 C4 171.5(3) . . . . ?
P1 C2 C7 C6 -171.6(3) . . . . ?
P1 C8 C9 C10 -179.0(3) . . . . ?
P1 C8 C13 C12 179.7(3) . . . . ?
P2 C17 C18 C19 -171.2(3) . . . . ?
P2 C17 C22 C21 170.3(3) . . . . ?
P2 C23 C24 C25 -179.0(4) . . . . ?
P2 C23 C28 C27 179.1(4) . . . . ?
P3 C33 C34 C35 -176.6(3) . . . . ?
P3 C33 C38 C37 177.5(3) . . . . ?
P3 C39 C40 C41 166.1(4) . . . . ?
P3 C39 C44 C43 -167.0(4) . . . . ?
P4 C48 C49 C50 -177.4(3) . . . . ?
P4 C48 C53 C52 177.7(4) . . . . ?
P4 C54 C55 C56 -177.9(3) . . . . ?
P4 C54 C59 C58 178.7(3) . . . . ?
N1 P1 C1 Y1 6.07(17) . . . . ?
N1 P1 C1 P2 139.8(13) . . . . ?
N1 P1 C2 C3 -140.1(3) . . . . ?
N1 P1 C2 C7 33.8(3) . . . . ?
N1 P1 C8 C9 -120.0(3) . . . . ?
N1 P1 C8 C13 61.5(4) . . . . ?
N2 P2 C1 Y1 -1.18(18) . . . . ?
N2 P2 C1 P1 -134.9(13) . . . . ?
N2 P2 C17 C18 -138.2(3) . . . . ?
N2 P2 C17 C22 50.1(3) . . . . ?
N2 P2 C23 C24 -132.1(3) . . . . ?
N2 P2 C23 C28 49.2(4) . . . . ?
N3 P3 C32 Y1 2.75(17) . . . . ?
N3 P3 C32 P4 144.3(13) . . . . ?
N3 P3 C33 C34 -60.3(3) . . . . ?
N3 P3 C33 C38 122.0(3) . . . . ?
N3 P3 C39 C40 156.9(3) . . . . ?
N3 P3 C39 C44 -35.4(4) . . . . ?
N4 P4 C32 Y1 -1.64(17) . . . . ?
N4 P4 C32 P3 -143.2(13) . . . . ?
N4 P4 C48 C49 -55.0(3) . . . . ?
N4 P4 C48 C53 128.3(4) . . . . ?
N4 P4 C54 C55 125.1(3) . . . . ?
N4 P4 C54 C59 -53.6(4) . . . . ?
C1 P1 N1 Y1 -6.05(17) . . . . ?
C1 P1 N1 Si1 162.6(2) . . . . ?
C1 P1 C2 C3 -18.9(3) . . . . ?
C1 P1 C2 C7 155.0(3) . . . . ?
C1 P1 C8 C9 119.6(3) . . . . ?
C1 P1 C8 C13 -58.9(4) . . . . ?
C1 P2 N2 Y1 1.17(18) . . . . ?
C1 P2 N2 Si2 175.1(2) . . . . ?
C1 P2 C17 C18 101.5(3) . . . . ?
C1 P2 C17 C22 -70.2(3) . . . . ?
C1 P2 C23 C24 -10.6(4) . . . . ?
C1 P2 C23 C28 170.7(3) . . . . ?
C2 P1 N1 Y1 118.07(14) . . . . ?
C2 P1 N1 Si1 -73.3(3) . . . . ?
C2 P1 C1 Y1 -116.73(14) . . . . ?
C2 P1 C1 P2 17.0(14) . . . . ?
C2 P1 C8 C9 -2.1(4) . . . . ?
C2 P1 C8 C13 179.4(3) . . . . ?
C2 C3 C4 C5 0.4(6) . . . . ?
C3 C2 C7 C6 2.2(6) . . . . ?
C3 C4 C5 C6 2.3(6) . . . . ?
C4 C5 C6 C7 -2.6(6) . . . . ?
C5 C6 C7 C2 0.3(6) . . . . ?
C7 C2 C3 C4 -2.6(5) . . . . ?
C8 P1 N1 Y1 -129.21(13) . . . . ?
C8 P1 N1 Si1 39.4(3) . . . . ?
C8 P1 C1 Y1 127.66(15) . . . . ?
C8 P1 C1 P2 -98.6(13) . . . . ?
C8 P1 C2 C3 102.6(3) . . . . ?
C8 P1 C2 C7 -83.6(3) . . . . ?
C8 C9 C10 C11 -0.8(7) . . . . ?
C9 C8 C13 C12 1.2(6) . . . . ?
C9 C10 C11 C12 1.3(7) . . . . ?
C10 C11 C12 C13 -0.7(7) . . . . ?
C11 C12 C13 C8 -0.6(7) . . . . ?
C13 C8 C9 C10 -0.5(6) . . . . ?
C14 Si1 N1 Y1 -97.1(2) . . . . ?
C14 Si1 N1 P1 98.5(3) . . . . ?
C15 Si1 N1 Y1 142.8(2) . . . . ?
C15 Si1 N1 P1 -21.6(3) . . . . ?
C16 Si1 N1 Y1 21.5(3) . . . . ?
C16 Si1 N1 P1 -143.0(2) . . . . ?
C17 P2 N2 Y1 -122.14(14) . . . . ?
C17 P2 N2 Si2 51.8(3) . . . . ?
C17 P2 C1 Y1 120.90(14) . . . . ?
C17 P2 C1 P1 -12.8(14) . . . . ?
C17 P2 C23 C24 109.5(3) . . . . ?
C17 P2 C23 C28 -69.2(4) . . . . ?
C17 C18 C19 C20 0.7(6) . . . . ?
C18 C17 C22 C21 -1.8(5) . . . . ?
C18 C19 C20 C21 -0.5(6) . . . . ?
C19 C20 C21 C22 -0.8(6) . . . . ?
C20 C21 C22 C17 2.0(6) . . . . ?
C22 C17 C18 C19 0.5(6) . . . . ?
C23 P2 N2 Y1 125.13(14) . . . . ?
C23 P2 N2 Si2 -60.9(3) . . . . ?
C23 P2 C1 Y1 -126.00(15) . . . . ?
C23 P2 C1 P1 100.3(13) . . . . ?
C23 P2 C17 C18 -18.0(4) . . . . ?
C23 P2 C17 C22 170.3(3) . . . . ?
C23 C24 C25 C26 -0.3(8) . . . . ?
C24 C23 C28 C27 0.4(6) . . . . ?
C24 C25 C26 C27 0.6(8) . . . . ?
C25 C26 C27 C28 -0.4(8) . . . . ?
C26 C27 C28 C23 -0.1(8) . . . . ?
C28 C23 C24 C25 -0.2(6) . . . . ?
C29 Si2 N2 Y1 140.1(2) . . . . ?
C29 Si2 N2 P2 -31.5(3) . . . . ?
C30 Si2 N2 Y1 -98.0(2) . . . . ?
C30 Si2 N2 P2 90.4(3) . . . . ?
C31 Si2 N2 Y1 21.2(3) . . . . ?
C31 Si2 N2 P2 -150.4(3) . . . . ?
C32 P3 N3 Y1 -2.73(17) . . . . ?
C32 P3 N3 Si3 -179.3(2) . . . . ?
C32 P3 C33 C34 176.8(3) . . . . ?
C32 P3 C33 C38 -1.0(3) . . . . ?
C32 P3 C39 C40 -83.5(4) . . . . ?
C32 P3 C39 C44 84.3(4) . . . . ?
C32 P4 N4 Y1 1.62(17) . . . . ?
C32 P4 N4 Si4 -173.3(2) . . . . ?
C32 P4 C48 C49 64.4(3) . . . . ?
C32 P4 C48 C53 -112.4(4) . . . . ?
C32 P4 C54 C55 3.1(4) . . . . ?
C32 P4 C54 C59 -175.6(3) . . . . ?
C33 P3 N3 Y1 -127.88(14) . . . . ?
C33 P3 N3 Si3 55.6(3) . . . . ?
C33 P3 C32 Y1 129.46(13) . . . . ?
C33 P3 C32 P4 -89.0(13) . . . . ?
C33 P3 C39 C40 35.7(4) . . . . ?
C33 P3 C39 C44 -156.6(3) . . . . ?
C33 C34 C35 C36 -1.2(6) . . . . ?
C34 C33 C38 C37 -0.4(5) . . . . ?
C34 C35 C36 C37 0.5(6) . . . . ?
C35 C36 C37 C38 0.2(6) . . . . ?
C36 C37 C38 C33 -0.3(6) . . . . ?
C38 C33 C34 C35 1.1(6) . . . . ?
C39 P3 N3 Y1 119.56(14) . . . . ?
C39 P3 N3 Si3 -57.0(3) . . . . ?
C39 P3 C32 Y1 -118.15(16) . . . . ?
C39 P3 C32 P4 23.4(14) . . . . ?
C39 P3 C33 C34 57.5(3) . . . . ?
C39 P3 C33 C38 -120.2(3) . . . . ?
C39 C40 C41 C42 1.0(8) . . . . ?
C40 C39 C44 C43 1.1(6) . . . . ?
C40 C41 C42 C43 0.4(8) . . . . ?
C41 C42 C43 C44 -1.0(8) . . . . ?
C42 C43 C44 C39 0.3(7) . . . . ?
C44 C39 C40 C41 -1.7(6) . . . . ?
C45 Si3 N3 Y1 -147.3(2) . . . . ?
C45 Si3 N3 P3 28.0(3) . . . . ?
C46 Si3 N3 Y1 91.9(3) . . . . ?
C46 Si3 N3 P3 -92.9(3) . . . . ?
C47 Si3 N3 Y1 -29.4(3) . . . . ?
C47 Si3 N3 P3 145.8(3) . . . . ?
C48 P4 N4 Y1 123.97(14) . . . . ?
C48 P4 N4 Si4 -51.0(3) . . . . ?
C48 P4 C32 Y1 -121.98(15) . . . . ?
C48 P4 C32 P3 96.5(13) . . . . ?
C48 P4 C54 C55 -117.9(3) . . . . ?
C48 P4 C54 C59 63.4(3) . . . . ?
C48 C49 C50 C51 0.3(7) . . . . ?
C49 C48 C53 C52 1.0(7) . . . . ?
C49 C50 C51 C52 -0.7(7) . . . . ?
C50 C51 C52 C53 1.3(8) . . . . ?
C51 C52 C53 C48 -1.4(8) . . . . ?
C53 C48 C49 C50 -0.4(6) . . . . ?
C54 P4 N4 Y1 -123.39(15) . . . . ?
C54 P4 N4 Si4 61.7(3) . . . . ?
C54 P4 C32 Y1 123.26(14) . . . . ?
C54 P4 C32 P3 -18.3(14) . . . . ?
C54 P4 C48 C49 -174.4(3) . . . . ?
C54 P4 C48 C53 8.8(4) . . . . ?
C54 C55 C56 C57 -0.6(6) . . . . ?
C55 C54 C59 C58 0.0(6) . . . . ?
C55 C56 C57 C58 -0.5(6) . . . . ?
C56 C57 C58 C59 1.3(6) . . . . ?
C57 C58 C59 C54 -1.1(6) . . . . ?
C59 C54 C55 C56 0.9(6) . . . . ?
C60 Si4 N4 Y1 -142.4(2) . . . . ?
C60 Si4 N4 P4 30.4(3) . . . . ?
C61 Si4 N4 Y1 -24.5(3) . . . . ?
C61 Si4 N4 P4 148.3(2) . . . . ?
C62 Si4 N4 Y1 95.3(2) . . . . ?
C62 Si4 N4 P4 -92.0(3) . . . . ?
K1 O1 C63 C64 52.6(4) . . . . ?
K1 O1 C74 C73 -55.6(4) . . . . ?
K1 O2 C64 C63 50.6(4) . . . . ?
K1 O2 C65 C66 -50.7(5) . . . . ?
K1 O3 C66 C65 -47.6(4) . . . . ?
K1 O3 C67 C68 50.8(4) . . . . ?
K1 O4 C68 C67 47.8(4) . . . . ?
K1 O4 C69 C70 -50.7(4) . . . . ?
K1 O5 C70 C69 -47.5(4) . . . . ?
K1 O5 C71 C72 38.2(4) . . . . ?
K1 O6 C72 C71 54.6(4) . . . . ?
K1 O6 C73 C74 -42.9(4) . . . . ?
K1 O7 C75 C76 113.7(5) . . . . ?
K1 O7 C78 C77 -110.4(6) . . . . ?
K1 O8 C79 C80 -148.9(4) . . . . ?
K1 O8 C82 C81 136.4(6) . . . . ?
O1 C63 C64 O2 -70.4(4) . . . . ?
O2 C65 C66 O3 65.3(5) . . . . ?
O3 C67 C68 O4 -66.4(5) . . . . ?
O4 C69 C70 O5 66.1(5) . . . . ?
O5 C71 C72 O6 -61.3(4) . . . . ?
O6 C73 C74 O1 65.8(5) . . . . ?
O7 C75 C76 C77 19.2(8) . . . . ?
O8 C79 C80 C81 32.1(7) . . . . ?
C63 O1 C74 C73 178.7(4) . . . . ?
C64 O2 C65 C66 174.3(4) . . . . ?
C65 O2 C64 C63 -173.7(4) . . . . ?
C66 O3 C67 C68 -178.5(4) . . . . ?
C67 O3 C66 C65 -178.1(4) . . . . ?
C68 O4 C69 C70 178.8(4) . . . . ?
C69 O4 C68 C67 177.1(4) . . . . ?
C70 O5 C71 C72 178.1(4) . . . . ?
C71 O5 C70 C69 171.1(4) . . . . ?
C72 O6 C73 C74 -174.8(4) . . . . ?
C73 O6 C72 C71 -171.3(3) . . . . ?
C74 O1 C63 C64 179.2(4) . . . . ?
C75 O7 C78 C77 30.5(7) . . . . ?
C75 C76 C77 C78 -0.6(9) . . . . ?
C76 C77 C78 O7 -18.1(8) . . . . ?
C78 O7 C75 C76 -31.7(7) . . . . ?
C79 O8 C82 C81 2.6(9) . . . . ?
C79 C80 C81 C82 -29.6(8) . . . . ?
C80 C81 C82 O8 17.7(9) . . . . ?
C82 O8 C79 C80 -22.1(8) . . . . ?
O9 C83 C84 C83A 64.7(13) . . . . ?
O9 C83 C84 C85 -33.7(12) . . . . ?
O9 C83A C84 C83 -72.0(16) . . . . ?
O9 C83A C84 C85 18(2) . . . . ?
C83 O9 C83A C84 66.0(13) . . . . ?
C83 O9 C86 C85 -20.3(9) . . . . ?
C83 C84 C85 C86 20.7(10) . . . . ?
C83A O9 C83 C84 -71.3(13) . . . . ?
C83A O9 C86 C85 11.9(15) . . . . ?
C83A C84 C85 C86 -10.7(15) . . . . ?
C84 C85 C86 O9 -0.1(8) . . . . ?
C86 O9 C83 C84 34.0(11) . . . . ?
C86 O9 C83A C84 -19(2) . . . . ?
O10 C87A C88A C89 9(2) . . . . ?
O10 C90 C89 C88A 17(2) . . . . ?
O10 C90 C89 C88 -12.2(18) . . . . ?
O10 C87 C88 C89 -1.8(18) . . . . ?
C87A O10 C90 C89 -12.5(19) . . . . ?
C87A O10 C87 C88 99(3) . . . . ?
C87A C88A C89 C90 -17(3) . . . . ?
C87A C88A C89 C88 86(3) . . . . ?
C88A C89 C88 C87 -77(2) . . . . ?
C90 O10 C87A C88A 2(2) . . . . ?
C90 O10 C87 C88 -5.5(16) . . . . ?
C90 C89 C88 C87 8.6(19) . . . . ?
C87 O10 C87A C88A -81(3) . . . . ?
C87 O10 C90 C89 10.9(17) . . . . ?

loop_
_exptl_crystal_face_index_h
_exptl_crystal_face_index_k
_exptl_crystal_face_index_l
_exptl_crystal_face_perp_dist
_exptl_oxdiff_crystal_face_indexfrac_h
_exptl_oxdiff_crystal_face_indexfrac_k
_exptl_oxdiff_crystal_face_indexfrac_l
_exptl_oxdiff_crystal_face_x
_exptl_oxdiff_crystal_face_y
_exptl_oxdiff_crystal_face_z
-9 1 6 0.0655 -8.9877 1.0070 6.0021 0.5236 -0.1117 -0.8312
-5 -5 -7 0.0555 -5.0189 -4.9465 -7.0238 0.8898 -0.2378 0.3449
9 -1 -7 0.0389 8.9868 -1.0035 -7.0015 -0.4830 0.1411 0.8856
7 4 6 0.0717 7.0142 3.9457 6.0188 -0.9945 0.1858 -0.1440
1 -8 10 0.0515 0.9854 -8.0191 9.9490 -0.2348 -0.9807 -0.1390
-1 8 -10 0.0216 -0.9854 8.0191 -9.9490 0.2348 0.9807 0.1390
3 -9 6 0.0505 2.9780 -9.0094 5.9457 -0.2178 -0.9447 0.2249
5 -2 -11 0.0485 4.9819 -1.9735 -11.0047 0.0667 0.1625 0.9422
6 -8 -2 0.0571 5.9722 -7.9939 -2.0439 -0.1924 -0.6164 0.7692
-4 -1 13 0.0734 -3.9892 -1.0296 12.9866 -0.1393 -0.4774 -0.8672
-6 6 6 0.0877 -5.9744 5.9848 6.0302 0.0951 0.3266 -0.8983
-1 -6 12 0.0594 -1.0060 -6.0242 11.9590 -0.2031 -0.8718 -0.4384
-4 -9 4 0.0492 -4.0209 -8.9788 3.9471 0.4848 -0.9030 -0.0250
-7 -3 10 0.0653 -6.9966 -3.0041 9.9772 0.3135 -0.5691 -0.7696
1 0 13 0.0720 1.0116 -0.0489 12.9921 -0.6158 -0.3790 -0.6552
7 -3 9 0.0803 6.9966 -3.0479 8.9776 -0.8892 -0.5057 0.0020
####################################################################### 
# 
# This file contains crystal structure data downloaded from the 
# Cambridge Structural Database (CSD) hosted by the Cambridge 
# Crystallographic Data Centre (CCDC).
# 
# Full information about CCDC data access policies and citation 
# guidelines are available at http://www.ccdc.cam.ac.uk/access/V1 
# 
# Audit and citation data items may have been added by the CCDC. 
# Please retain this information to preserve the provenance of 
# this file and to allow appropriate attribution of the data. 
# 
#######################################################################

data_2Dy
_database_code_depnum_ccdc_archive 'CCDC 1054031'
_audit_update_record             
;
2015-03-13 deposited with the CCDC.
2015-11-23 downloaded from the CCDC.
;
_nottingham_internal_coll_name   DYMGLE
_nottingham_internal_coll_number 13612
_nottingham_internal_coll_client MG/STL
_nottingham_internal_coll_type   custom
_nottingham_internal_coll_frame_method 'omega scans'
_nottingham_internal_coll_frame_time '80.0000, 20.0000'
_nottingham_internal_coll_frame_width 1.0000
_nottingham_internal_coll_user   pcxmjg
_nottingham_internal_coll_date   15/05/2014
_nottingham_internal_coll_location NOTTS
_nottingham_internal_NCS_number  ?
_nottingham_internal_process_date 16/05/2014
_nottingham_internal_process_user pcxmjg
_nottingham_internal_solution_date 16/05/2014
_nottingham_internal_solution_user pcxmjg
_nottingham_internal_refinement_date 20/10/2014
_nottingham_internal_refinement_user pcxmjg
_nottingham_internal_self_archive_date 20/10/2014
_nottingham_internal_self_validation_date 20/10/2014
_nottingham_internal_self_validation_user pcxmjg
_nottingham_internal_validation_date 16/1/2015
_nottingham_internal_validation_user pczwl
_nottingham_internal_archive_date 16/1/2015
_refine_special_details          
;
The THF molecule O9, C83-C86 is disordered over two orientations.
The occupancies of the two components were refined competitively, 
converging at a ratio of 0.78: 0.22. 
The THF molecule O10, C87-C90 is disordered over two orientations.
The occupancies of the two components were refined competitively, 
converging at a ratio of 0.51: 0.49.
The THF molecules were refined with enhanced rigid bond and similarity 
restraints applied to their thermal parameters.
The atoms of the minor components were refined isotropically 
Chemically equivalent 1,2-distances of the disordered components were 
restrained to be approximately equal.
;
_vrf_PLAT973_2Dy                 
;
PROBLEM: Check Calcd Positive Residual Density on Dy1 3.37 eA-3 
RESPONSE: The residual density is next to dysprosium and not chemically significant.
;
_vrf_PLAT971_2Dy                 
;
PROBLEM: Check Calcd Residual Density 1.05A From Dy1 2.76 eA-3  
RESPONSE: The residual density is next to dysprosium and not chemically significant.
;
_audit_creation_date             2014-10-20
_audit_creation_method           
;
Olex2 1.2
(compiled 2014.09.19 svn.r3010 for OlexSys, GUI svn.r4874)
;
_chemical_name_common            ?
_chemical_name_systematic        ?
_chemical_formula_moiety         
'C62 H76 Dy N4 P4 Si4, C20 H40 K O8, 2(C4 H8 O)'
_chemical_formula_sum            'C90 H132 Dy K N4 O10 P4 Si4'
_chemical_formula_weight         1867.83
_chemical_melting_point          ?
_chemical_oxdiff_formula         'C90 H132 Dy1 K1 N4 O10 P4 Si4'
_chemical_oxdiff_usercomment     
'DYMGLE #13612 SN-154 FOR MG/STL IN FOMBLIN FILM ON MICROMOUNT'
loop_
_atom_type_symbol
_atom_type_description
_atom_type_scat_dispersion_real
_atom_type_scat_dispersion_imag
_atom_type_scat_source
C C 0.0181 0.0091 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
H H 0.0000 0.0000 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
K K 0.3868 1.0657 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
N N 0.0311 0.0180 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
O O 0.0492 0.0322 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
P P 0.2955 0.4335 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Si Si 0.2541 0.3302 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Dy Dy -9.8046 9.8477 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'

_shelx_space_group_comment       
;
The symmetry employed for this shelxl refinement is uniquely defined
by the following loop, which should always be used as a source of
symmetry information in preference to the above space-group names.
They are only intended as comments.
;
_space_group_crystal_system      triclinic
_space_group_IT_number           2
_space_group_name_H-M_alt        'P -1'
_space_group_name_Hall           '-P 1'
loop_
_space_group_symop_operation_xyz
'x, y, z'
'-x, -y, -z'

_cell_length_a                   15.1483(7)
_cell_length_b                   15.3041(5)
_cell_length_c                   21.1587(7)
_cell_angle_alpha                98.844(3)
_cell_angle_beta                 95.182(3)
_cell_angle_gamma                93.576(3)
_cell_volume                     4812.6(3)
_cell_formula_units_Z            2
_cell_measurement_reflns_used    9844
_cell_measurement_temperature    120(2)
_cell_measurement_theta_max      74.3400
_cell_measurement_theta_min      3.7220
_shelx_estimated_absorpt_T_max   ?
_shelx_estimated_absorpt_T_min   ?
_exptl_absorpt_coefficient_mu    6.084
_exptl_absorpt_correction_T_max  0.688
_exptl_absorpt_correction_T_min  0.595
_exptl_absorpt_correction_type   gaussian
_exptl_absorpt_process_details   
;
CrysAlisPro, Agilent Technologies,
Version 1.171.37.34 (release 22-05-2014 CrysAlis171 .NET)
(compiled May 22 2014,16:03:01)
Numerical absorption correction based on gaussian integration over
			a multifaceted crystal model
Empirical absorption correction using spherical harmonics,
 implemented in SCALE3 ABSPACK scaling algorithm.
;
_exptl_absorpt_special_details   ?
_exptl_crystal_colour            'clear yellow'
_exptl_crystal_colour_lustre     clear
_exptl_crystal_colour_modifier   .
_exptl_crystal_colour_primary    yellow
_exptl_crystal_density_diffrn    1.289
_exptl_crystal_density_meas      ?
_exptl_crystal_density_method    ?
_exptl_crystal_description       block
_exptl_crystal_F_000             1962
_exptl_crystal_size_max          0.1283
_exptl_crystal_size_mid          0.0941
_exptl_crystal_size_min          0.0865
_exptl_transmission_factor_max   ?
_exptl_transmission_factor_min   ?
_diffrn_reflns_av_R_equivalents  0.0813
_diffrn_reflns_av_unetI/netI     0.1079
_diffrn_reflns_Laue_measured_fraction_full 0.999
_diffrn_reflns_Laue_measured_fraction_max 0.966
_diffrn_reflns_limit_h_max       18
_diffrn_reflns_limit_h_min       -17
_diffrn_reflns_limit_k_max       19
_diffrn_reflns_limit_k_min       -15
_diffrn_reflns_limit_l_max       25
_diffrn_reflns_limit_l_min       -26
_diffrn_reflns_number            38293
_diffrn_reflns_point_group_measured_fraction_full 0.999
_diffrn_reflns_point_group_measured_fraction_max 0.966
_diffrn_reflns_theta_full        67.684
_diffrn_reflns_theta_max         74.674
_diffrn_reflns_theta_min         3.333
_diffrn_ambient_environment      'N2 gas'
_diffrn_ambient_temperature      120(2)
_diffrn_crystal_treatment        'flash frozen in gaseous N2'
_diffrn_detector                 'CCD area detector'
_diffrn_detector_area_resol_mean 10.3613
_diffrn_detector_type            'Agilent Diffraction Atlas detector'
_diffrn_measured_fraction_theta_full 0.999
_diffrn_measured_fraction_theta_max 0.966
_diffrn_measurement_details      
;
#__ type_ start__ end____ width___ exp.time_
  1 omega  101.00  178.00   1.0000   80.0000
omega____ theta____ kappa____ phi______ frames
    -      106.1322  112.0000   55.0000 77

#__ type_ start__ end____ width___ exp.time_
  2 omega  133.00  161.00   1.0000   80.0000
omega____ theta____ kappa____ phi______ frames
    -      106.1322  125.0000  150.0000 28

#__ type_ start__ end____ width___ exp.time_
  3 omega   94.00  125.00   1.0000   80.0000
omega____ theta____ kappa____ phi______ frames
    -      106.1322  125.0000  150.0000 31

#__ type_ start__ end____ width___ exp.time_
  4 omega   83.00  178.00   1.0000   80.0000
omega____ theta____ kappa____ phi______ frames
    -      106.1322   30.0000  150.0000 95

#__ type_ start__ end____ width___ exp.time_
  5 omega   84.00  133.00   1.0000   80.0000
omega____ theta____ kappa____ phi______ frames
    -      106.1322  -77.0000   90.0000 49

#__ type_ start__ end____ width___ exp.time_
  6 omega   81.00  108.00   1.0000   80.0000
omega____ theta____ kappa____ phi______ frames
    -      106.1322  -95.0000   90.0000 27

#__ type_ start__ end____ width___ exp.time_
  7 omega   45.00   77.00   1.0000   80.0000
omega____ theta____ kappa____ phi______ frames
    -      106.1322  -45.0000   90.0000 32

#__ type_ start__ end____ width___ exp.time_
  8 omega   40.00   67.00   1.0000   80.0000
omega____ theta____ kappa____ phi______ frames
    -      106.1322  -95.0000   90.0000 27

#__ type_ start__ end____ width___ exp.time_
  9 omega   40.00  121.00   1.0000   80.0000
omega____ theta____ kappa____ phi______ frames
    -      106.1322 -125.0000   30.0000 81

#__ type_ start__ end____ width___ exp.time_
 10 omega   66.00  118.00   1.0000   80.0000
omega____ theta____ kappa____ phi______ frames
    -      106.1322 -125.0000  -90.0000 52

#__ type_ start__ end____ width___ exp.time_
 11 omega   47.00   81.00   1.0000   80.0000
omega____ theta____ kappa____ phi______ frames
    -      106.1322  -30.0000 -120.0000 34

#__ type_ start__ end____ width___ exp.time_
 12 omega   82.00  174.00   1.0000   80.0000
omega____ theta____ kappa____ phi______ frames
    -      106.1322   45.0000 -120.0000 92

#__ type_ start__ end____ width___ exp.time_
 13 omega  145.00  178.00   1.0000   80.0000
omega____ theta____ kappa____ phi______ frames
    -      106.1322  125.0000 -180.0000 33

#__ type_ start__ end____ width___ exp.time_
 14 omega  102.00  143.00   1.0000   80.0000
omega____ theta____ kappa____ phi______ frames
    -      106.1322  125.0000 -180.0000 41

#__ type_ start__ end____ width___ exp.time_
 15 omega   32.00   65.00   1.0000   80.0000
omega____ theta____ kappa____ phi______ frames
    -      106.1322  -30.0000  -30.0000 33

#__ type_ start__ end____ width___ exp.time_
 16 omega   39.00   79.00   1.0000   80.0000
omega____ theta____ kappa____ phi______ frames
    -      106.1322  -77.0000   90.0000 40

#__ type_ start__ end____ width___ exp.time_
 17 omega   34.00   82.00   1.0000   80.0000
omega____ theta____ kappa____ phi______ frames
    -      106.1322  -30.0000  120.0000 48

#__ type_ start__ end____ width___ exp.time_
 18 omega   42.00   83.00   1.0000   80.0000
omega____ theta____ kappa____ phi______ frames
    -      106.1322 -125.0000  -60.0000 41

#__ type_ start__ end____ width___ exp.time_
 19 omega  -64.00   30.00   1.0000   20.0000
omega____ theta____ kappa____ phi______ frames
    -      -38.5000   57.0000    0.0000 94

#__ type_ start__ end____ width___ exp.time_
 20 omega  -50.00   33.00   1.0000   20.0000
omega____ theta____ kappa____ phi______ frames
    -      -38.5000   38.0000  150.0000 83

#__ type_ start__ end____ width___ exp.time_
 21 omega  -62.00  -35.00   1.0000   20.0000
omega____ theta____ kappa____ phi______ frames
    -      -38.5000  125.0000  120.0000 27

#__ type_ start__ end____ width___ exp.time_
 22 omega  -91.00   -6.00   1.0000   20.0000
omega____ theta____ kappa____ phi______ frames
    -      -38.5000  125.0000   30.0000 85

#__ type_ start__ end____ width___ exp.time_
 23 omega -109.00  -15.00   1.0000   20.0000
omega____ theta____ kappa____ phi______ frames
    -      -38.5000  -57.0000 -150.0000 94
;
_diffrn_measurement_device       'κ-geometry diffractometer'
_diffrn_measurement_device_type  'SuperNova-Duo, Atlas'
_diffrn_measurement_method       'ω scans'
_diffrn_measurement_specimen_support 'MiTeGen micromount'
_diffrn_orient_matrix_UB_11      0.0119639000
_diffrn_orient_matrix_UB_12      -0.0017579000
_diffrn_orient_matrix_UB_13      -0.0717079000
_diffrn_orient_matrix_UB_21      -0.0950856000
_diffrn_orient_matrix_UB_22      0.0285377000
_diffrn_orient_matrix_UB_23      -0.0116080000
_diffrn_orient_matrix_UB_31      0.0361420000
_diffrn_orient_matrix_UB_32      0.0981003000
_diffrn_orient_matrix_UB_33      0.0144626000
_diffrn_radiation_collimation    'focusing mirrors'
_diffrn_radiation_monochromator  mirror
_diffrn_radiation_probe          x-ray
_diffrn_radiation_type           CuK\a
_diffrn_radiation_wavelength     1.54184
_diffrn_source                   'microfocus sealed tube'
_diffrn_source_target            Cu
_diffrn_source_type              'Agilent Diffraction microfocus tube'
_reflns_Friedel_coverage         0.000
_reflns_Friedel_fraction_full    .
_reflns_Friedel_fraction_max     .
_reflns_number_gt                13906
_reflns_number_total             19043
_reflns_odcompleteness_completeness 99.94
_reflns_odcompleteness_iscentric 1
_reflns_odcompleteness_theta     66.97
_reflns_special_details          
;
 Reflections were merged by SHELXL according to the crystal
 class for the calculation of statistics and refinement.
 
 _reflns_Friedel_fraction is defined as the number of unique
 Friedel pairs measured divided by the number that would be
 possible theoretically, ignoring centric projections and
 systematic absences.
;
_reflns_threshold_expression     'I > 2σ(I)'
_computing_cell_refinement       
;
CrysAlisPro, Agilent Technologies,
Version 1.171.37.34 (release 22-05-2014 CrysAlis171 .NET)
(compiled May 22 2014,16:03:01)
;
_computing_data_collection       
;
CrysAlisPro, Agilent Technologies,
Version 1.171.37.34 (release 22-05-2014 CrysAlis171 .NET)
(compiled May 22 2014,16:03:01)
;
_computing_data_reduction        
;
CrysAlisPro, Agilent Technologies,
Version 1.171.37.34 (release 22-05-2014 CrysAlis171 .NET)
(compiled May 22 2014,16:03:01)
;
_computing_molecular_graphics    'Olex2 (Dolomanov et al., 2009)'
_computing_publication_material  'Olex2 (Dolomanov et al., 2009)'
_computing_structure_refinement  'ShelXL (Sheldrick, 2008)'
_computing_structure_solution    
;
Superflip (Palatinus & Chapuis, 2007;Palatinus & van der Lee, 2008;
Palatinus et al., 2012)
;
_refine_diff_density_max         2.406
_refine_diff_density_min         -1.059
_refine_diff_density_rms         0.141
_refine_ls_extinction_coef       .
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.023
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     1053
_refine_ls_number_reflns         19043
_refine_ls_number_restraints     190
_refine_ls_R_factor_all          0.1057
_refine_ls_R_factor_gt           0.0791
_refine_ls_restrained_S_all      1.023
_refine_ls_shift/su_max          0.001
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details     
'w=1/[σ²(Fo²)+(0.1134P)²] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1888
_refine_ls_wR_factor_ref         0.2143
_olex2_refinement_description    
;
1. Fixed Uiso
 At 1.2 times of:
  All C(H) groups, All C(H,H) groups, All C(H,H,H,H) groups
 At 1.5 times of:
  All C(H,H,H) groups
2. Restrained distances
 O9-C86 \\sim O9-C83 \\sim O9-C83A \\sim O10-C90 \\sim O10-C87A \\sim O10-C87
 with sigma of 0.02
 C84-C83 \\sim C86-C85 \\sim C84-C83A \\sim C90-C89 \\sim C88A-C87A \\sim
C88-C87
 with sigma of 0.02
 C89-C88A \\sim C89-C88 \\sim C85-C84
 with sigma of 0.02
3. Uiso/Uaniso restraints and constraints
C90 \\sim C89 \\sim C87A \\sim O10 \\sim C88A \\sim C88 \\sim C87: within 1.7A
with sigma of 0.02 and sigma for terminal atoms of 0.04
4. Rigid body (RIGU) restrains
 O10, C90, C89, C87A, C88A, C87, C88
 with sigma for 1-2 distances of 0.002 and sigma for 1-3 distances of 0.002
 C85, C86, O9, C83A, C83, C84
 with sigma for 1-2 distances of 0.004 and sigma for 1-3 distances of 0.004
 O8, C79, C80, C81, C82
 with sigma for 1-2 distances of 0.004 and sigma for 1-3 distances of 0.004
5. Others
 Sof(C83A)=Sof(H83C)=Sof(H83D)=Sof(H84C)=Sof(H84D)=1-FVAR(1)
 Sof(C83)=Sof(H83A)=Sof(H83B)=Sof(H84A)=Sof(H84B)=FVAR(1)
 Sof(H89C)=Sof(H89D)=Sof(C87)=Sof(H87C)=Sof(H87D)=Sof(C88)=Sof(H88C)=Sof(H88D)=
 1-FVAR(2)
 Sof(C87A)=Sof(H87A)=Sof(H87B)=Sof(C88A)=Sof(H88A)=Sof(H88B)=Sof(H89A)=
 Sof(H89B)=FVAR(2)
6.a Secondary CH2 refined with riding coordinates:
 C63(H63A,H63B), C64(H64A,H64B), C65(H65A,H65B), C66(H66A,H66B), C67(H67A,
 H67B), C68(H68A,H68B), C69(H69A,H69B), C70(H70A,H70B), C71(H71A,H71B),
 C72(H72A,H72B), C73(H73A,H73B), C74(H74A,H74B), C75(H75A,H75B), C76(H76A,H76B),
  C77(H77A,H77B), C78(H78A,H78B), C79(H79A,H79B), C80(H80A,H80B), C81(H81A,
 H81B), C82(H82A,H82B), C83(H83A,H83B), C83A(H83C,H83D), C84(H84A,H84B),
 C84(H84C,H84D), C85(H85A,H85B), C86(H86A,H86B), C87A(H87A,H87B), C88A(H88A,
 H88B), C90(H90A,H90B), C89(H89A,H89B), C89(H89C,H89D), C87(H87C,H87D),
 C88(H88C,H88D)
6.b Aromatic/amide H refined with riding coordinates:
 C3(H3), C4(H4), C5(H5), C6(H6), C7(H7), C9(H9), C10(H10), C11(H11), C12(H12),
 C13(H13), C18(H18), C19(H19), C20(H20), C21(H21), C22(H22), C24(H24), C25(H25),
  C26(H26), C27(H27), C28(H28), C34(H34), C35(H35), C36(H36), C37(H37),
 C38(H38), C40(H40), C41(H41), C42(H42), C43(H43), C44(H44), C49(H49), C50(H50),
  C51(H51), C52(H52), C53(H53), C55(H55), C56(H56), C57(H57), C58(H58), C59(H59)
6.c Idealised Me refined as rotating group:
 C14(H14A,H14B,H14C), C15(H15A,H15B,H15C), C16(H16A,H16B,H16C), C29(H29A,H29B,
 H29C), C30(H30A,H30B,H30C), C31(H31A,H31B,H31C), C45(H45A,H45B,H45C), C46(H46A,
 H46B,H46C), C47(H47A,H47B,H47C), C60(H60A,H60B,H60C), C61(H61A,H61B,H61C),
 C62(H62A,H62B,H62C)
;
_atom_sites_solution_hydrogens   geom
_atom_sites_solution_primary     iterative
_atom_sites_solution_secondary   difmap
loop_
_atom_site_label
_atom_site_type_symbol
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_U_iso_or_equiv
_atom_site_adp_type
_atom_site_occupancy
_atom_site_site_symmetry_order
_atom_site_calc_flag
_atom_site_refinement_flags_posn
_atom_site_refinement_flags_adp
_atom_site_refinement_flags_occupancy
_atom_site_disorder_assembly
_atom_site_disorder_group
Dy1 Dy 0.24879(2) 0.75044(2) 0.24741(2) 0.02854(11) Uani 1 1 d . . . . .
P1 P 0.05774(10) 0.78591(9) 0.26991(7) 0.0328(3) Uani 1 1 d . . . . .
P2 P 0.16268(10) 0.87648(9) 0.16558(7) 0.0314(3) Uani 1 1 d . . . . .
P3 P 0.42477(10) 0.75280(9) 0.33023(7) 0.0309(3) Uani 1 1 d . . . . .
P4 P 0.34863(10) 0.58282(9) 0.22242(7) 0.0299(3) Uani 1 1 d . . . . .
Si1 Si 0.10867(11) 0.67948(11) 0.37660(8) 0.0360(3) Uani 1 1 d . . . . .
Si2 Si 0.33934(11) 0.85556(10) 0.10902(8) 0.0339(3) Uani 1 1 d . . . . .
Si3 Si 0.36757(13) 0.93738(10) 0.37564(8) 0.0376(4) Uani 1 1 d . . . . .
Si4 Si 0.18646(11) 0.53195(10) 0.12620(7) 0.0314(3) Uani 1 1 d . . . . .
N1 N 0.1209(3) 0.7251(3) 0.3078(2) 0.0336(10) Uani 1 1 d . . . . .
N2 N 0.2608(3) 0.8421(3) 0.1611(2) 0.0322(10) Uani 1 1 d . . . . .
N3 N 0.3586(3) 0.8321(3) 0.3329(2) 0.0343(10) Uani 1 1 d . . . . .
N4 N 0.2568(3) 0.6005(3) 0.1842(2) 0.0303(9) Uani 1 1 d . . . . .
C1 C 0.1206(4) 0.8326(4) 0.2240(3) 0.0360(12) Uani 1 1 d . . . . .
C2 C -0.0406(4) 0.7194(4) 0.2261(3) 0.0399(13) Uani 1 1 d . . . . .
C3 C -0.0702(5) 0.7346(5) 0.1658(3) 0.0460(15) Uani 1 1 d . . . . .
H3 H -0.0448 0.7838 0.1495 0.055 Uiso 1 1 calc R . . . .
C4 C -0.1382(5) 0.6774(5) 0.1278(4) 0.0545(19) Uani 1 1 d . . . . .
H4 H -0.1580 0.6883 0.0860 0.065 Uiso 1 1 calc R . . . .
C5 C -0.1751(5) 0.6077(5) 0.1502(4) 0.057(2) Uani 1 1 d . . . . .
H5 H -0.2192 0.5682 0.1238 0.069 Uiso 1 1 calc R . . . .
C6 C -0.1488(5) 0.5932(5) 0.2122(5) 0.058(2) Uani 1 1 d . . . . .
H6 H -0.1764 0.5451 0.2285 0.070 Uiso 1 1 calc R . . . .
C7 C -0.0825(5) 0.6488(5) 0.2502(4) 0.0488(16) Uani 1 1 d . . . . .
H7 H -0.0653 0.6391 0.2927 0.059 Uiso 1 1 calc R . . . .
C8 C 0.0082(4) 0.8676(4) 0.3274(3) 0.0364(12) Uani 1 1 d . . . . .
C9 C -0.0817(5) 0.8714(5) 0.3304(3) 0.0438(14) Uani 1 1 d . . . . .
H9 H -0.1218 0.8296 0.3022 0.053 Uiso 1 1 calc R . . . .
C10 C -0.1149(5) 0.9349(5) 0.3738(3) 0.0489(16) Uani 1 1 d . . . . .
H10 H -0.1772 0.9378 0.3748 0.059 Uiso 1 1 calc R . . . .
C11 C -0.0563(6) 0.9940(5) 0.4157(3) 0.0512(18) Uani 1 1 d . . . . .
H11 H -0.0784 1.0368 0.4466 0.061 Uiso 1 1 calc R . . . .
C12 C 0.0331(6) 0.9917(5) 0.4132(4) 0.0545(19) Uani 1 1 d . . . . .
H12 H 0.0726 1.0333 0.4419 0.065 Uiso 1 1 calc R . . . .
C13 C 0.0672(5) 0.9291(5) 0.3690(3) 0.0476(16) Uani 1 1 d . . . . .
H13 H 0.1295 0.9282 0.3672 0.057 Uiso 1 1 calc R . . . .
C14 C 0.0658(5) 0.5583(5) 0.3607(4) 0.0512(17) Uani 1 1 d . . . . .
H14A H 0.0008 0.5537 0.3590 0.077 Uiso 1 1 calc GR . . . .
H14B H 0.0907 0.5285 0.3953 0.077 Uiso 1 1 calc GR . . . .
H14C H 0.0837 0.5300 0.3196 0.077 Uiso 1 1 calc GR . . . .
C15 C 0.0304(6) 0.7334(5) 0.4322(4) 0.0523(17) Uani 1 1 d . . . . .
H15A H 0.0519 0.7955 0.4473 0.078 Uiso 1 1 calc GR . . . .
H15B H 0.0276 0.7021 0.4691 0.078 Uiso 1 1 calc GR . . . .
H15C H -0.0290 0.7308 0.4091 0.078 Uiso 1 1 calc GR . . . .
C16 C 0.2199(5) 0.6843(5) 0.4224(3) 0.0461(15) Uani 1 1 d . . . . .
H16A H 0.2586 0.6468 0.3972 0.069 Uiso 1 1 calc GR . . . .
H16B H 0.2137 0.6629 0.4633 0.069 Uiso 1 1 calc GR . . . .
H16C H 0.2461 0.7456 0.4309 0.069 Uiso 1 1 calc GR . . . .
C17 C 0.0943(4) 0.8474(4) 0.0869(3) 0.0340(12) Uani 1 1 d . . . . .
C18 C 0.0401(5) 0.9047(4) 0.0621(3) 0.0389(13) Uani 1 1 d . . . . .
H18 H 0.0426 0.9648 0.0822 0.047 Uiso 1 1 calc R . . . .
C19 C -0.0188(5) 0.8752(4) 0.0072(3) 0.0445(15) Uani 1 1 d . . . . .
H19 H -0.0562 0.9153 -0.0097 0.053 Uiso 1 1 calc R . . . .
C20 C -0.0228(5) 0.7877(4) -0.0227(3) 0.0446(15) Uani 1 1 d . . . . .
H20 H -0.0628 0.7674 -0.0600 0.054 Uiso 1 1 calc R . . . .
C21 C 0.0326(5) 0.7299(4) 0.0028(3) 0.0413(14) Uani 1 1 d . . . . .
H21 H 0.0301 0.6696 -0.0169 0.050 Uiso 1 1 calc R . . . .
C22 C 0.0910(4) 0.7600(4) 0.0565(3) 0.0389(13) Uani 1 1 d . . . . .
H22 H 0.1296 0.7204 0.0730 0.047 Uiso 1 1 calc R . . . .
C23 C 0.1631(4) 0.9985(4) 0.1786(3) 0.0386(13) Uani 1 1 d . . . . .
C24 C 0.1154(6) 1.0390(5) 0.2265(4) 0.0556(19) Uani 1 1 d . . . . .
H24 H 0.0849 1.0042 0.2524 0.067 Uiso 1 1 calc R . . . .
C25 C 0.1124(8) 1.1315(5) 0.2365(4) 0.072(3) Uani 1 1 d . . . . .
H25 H 0.0791 1.1593 0.2687 0.086 Uiso 1 1 calc R . . . .
C26 C 0.1573(8) 1.1813(5) 0.1999(5) 0.071(3) Uani 1 1 d . . . . .
H26 H 0.1555 1.2439 0.2074 0.085 Uiso 1 1 calc R . . . .
C27 C 0.2051(7) 1.1426(5) 0.1523(5) 0.068(3) Uani 1 1 d . . . . .
H27 H 0.2360 1.1780 0.1270 0.081 Uiso 1 1 calc R . . . .
C28 C 0.2077(6) 1.0501(4) 0.1416(4) 0.0512(17) Uani 1 1 d . . . . .
H28 H 0.2402 1.0227 0.1086 0.061 Uiso 1 1 calc R . . . .
C29 C 0.2928(5) 0.8651(5) 0.0245(3) 0.0446(15) Uani 1 1 d . . . . .
H29A H 0.2494 0.8148 0.0079 0.067 Uiso 1 1 calc GR . . . .
H29B H 0.3413 0.8648 -0.0032 0.067 Uiso 1 1 calc GR . . . .
H29C H 0.2638 0.9206 0.0251 0.067 Uiso 1 1 calc GR . . . .
C30 C 0.4183(5) 0.9566(4) 0.1373(3) 0.0459(15) Uani 1 1 d . . . . .
H30A H 0.3879 1.0099 0.1314 0.069 Uiso 1 1 calc GR . . . .
H30B H 0.4697 0.9535 0.1123 0.069 Uiso 1 1 calc GR . . . .
H30C H 0.4383 0.9592 0.1829 0.069 Uiso 1 1 calc GR . . . .
C31 C 0.4054(5) 0.7569(5) 0.1016(4) 0.0481(16) Uani 1 1 d . . . . .
H31A H 0.4412 0.7561 0.1425 0.072 Uiso 1 1 calc GR . . . .
H31B H 0.4448 0.7596 0.0675 0.072 Uiso 1 1 calc GR . . . .
H31C H 0.3652 0.7029 0.0909 0.072 Uiso 1 1 calc GR . . . .
C32 C 0.3753(4) 0.6700(4) 0.2775(3) 0.0338(12) Uani 1 1 d . . . . .
C33 C 0.4555(4) 0.7186(4) 0.4090(3) 0.0339(12) Uani 1 1 d . . . . .
C34 C 0.5022(5) 0.7751(4) 0.4611(3) 0.0404(14) Uani 1 1 d . . . . .
H34 H 0.5170 0.8353 0.4579 0.048 Uiso 1 1 calc R . . . .
C35 C 0.5267(5) 0.7435(5) 0.5169(3) 0.0455(15) Uani 1 1 d . . . . .
H35 H 0.5595 0.7823 0.5517 0.055 Uiso 1 1 calc R . . . .
C36 C 0.5050(5) 0.6570(5) 0.5237(3) 0.0466(16) Uani 1 1 d . . . . .
H36 H 0.5199 0.6369 0.5633 0.056 Uiso 1 1 calc R . . . .
C37 C 0.4609(5) 0.5996(4) 0.4717(3) 0.0435(14) Uani 1 1 d . . . . .
H37 H 0.4481 0.5389 0.4748 0.052 Uiso 1 1 calc R . . . .
C38 C 0.4357(5) 0.6310(4) 0.4153(3) 0.0387(13) Uani 1 1 d . . . . .
H38 H 0.4043 0.5916 0.3802 0.046 Uiso 1 1 calc R . . . .
C39 C 0.5344(4) 0.7905(4) 0.3086(3) 0.0355(12) Uani 1 1 d . . . . .
C40 C 0.6097(5) 0.7504(5) 0.3252(3) 0.0468(16) Uani 1 1 d . . . . .
H40 H 0.6084 0.7115 0.3560 0.056 Uiso 1 1 calc R . . . .
C41 C 0.6877(5) 0.7659(6) 0.2974(4) 0.058(2) Uani 1 1 d . . . . .
H41 H 0.7387 0.7359 0.3082 0.069 Uiso 1 1 calc R . . . .
C42 C 0.6911(5) 0.8252(6) 0.2541(4) 0.059(2) Uani 1 1 d . . . . .
H42 H 0.7447 0.8374 0.2358 0.071 Uiso 1 1 calc R . . . .
C43 C 0.6158(6) 0.8659(6) 0.2380(4) 0.0579(19) Uani 1 1 d . . . . .
H43 H 0.6170 0.9055 0.2076 0.069 Uiso 1 1 calc R . . . .
C44 C 0.5380(5) 0.8499(5) 0.2657(4) 0.0472(15) Uani 1 1 d . . . . .
H44 H 0.4870 0.8799 0.2551 0.057 Uiso 1 1 calc R . . . .
C45 C 0.4852(6) 0.9903(5) 0.4000(5) 0.065(2) Uani 1 1 d . . . . .
H45A H 0.5144 0.9603 0.4329 0.097 Uiso 1 1 calc GR . . . .
H45B H 0.4829 1.0532 0.4173 0.097 Uiso 1 1 calc GR . . . .
H45C H 0.5188 0.9847 0.3624 0.097 Uiso 1 1 calc GR . . . .
C46 C 0.3131(7) 0.9420(5) 0.4516(4) 0.060(2) Uani 1 1 d . . . . .
H46A H 0.2521 0.9148 0.4419 0.090 Uiso 1 1 calc GR . . . .
H46B H 0.3120 1.0039 0.4718 0.090 Uiso 1 1 calc GR . . . .
H46C H 0.3466 0.9096 0.4811 0.090 Uiso 1 1 calc GR . . . .
C47 C 0.3119(6) 1.0119(4) 0.3248(3) 0.0503(17) Uani 1 1 d . . . . .
H47A H 0.3425 1.0131 0.2860 0.075 Uiso 1 1 calc GR . . . .
H47B H 0.3144 1.0720 0.3492 0.075 Uiso 1 1 calc GR . . . .
H47C H 0.2497 0.9895 0.3125 0.075 Uiso 1 1 calc GR . . . .
C48 C 0.3344(4) 0.4802(4) 0.2566(3) 0.0353(12) Uani 1 1 d . . . . .
C49 C 0.2649(5) 0.4743(4) 0.2957(3) 0.0438(14) Uani 1 1 d . . . . .
H49 H 0.2269 0.5214 0.3019 0.053 Uiso 1 1 calc R . . . .
C50 C 0.2509(6) 0.4010(5) 0.3252(4) 0.0532(18) Uani 1 1 d . . . . .
H50 H 0.2036 0.3981 0.3516 0.064 Uiso 1 1 calc R . . . .
C51 C 0.3053(6) 0.3317(5) 0.3168(4) 0.059(2) Uani 1 1 d . . . . .
H51 H 0.2956 0.2814 0.3373 0.071 Uiso 1 1 calc R . . . .
C52 C 0.3742(7) 0.3362(6) 0.2781(5) 0.068(2) Uani 1 1 d . . . . .
H52 H 0.4115 0.2886 0.2717 0.082 Uiso 1 1 calc R . . . .
C53 C 0.3888(5) 0.4108(5) 0.2485(4) 0.0489(16) Uani 1 1 d . . . . .
H53 H 0.4365 0.4139 0.2225 0.059 Uiso 1 1 calc R . . . .
C54 C 0.4358(4) 0.5576(4) 0.1686(3) 0.0352(12) Uani 1 1 d . . . . .
C55 C 0.5163(5) 0.6084(4) 0.1813(3) 0.0406(13) Uani 1 1 d . . . . .
H55 H 0.5256 0.6535 0.2181 0.049 Uiso 1 1 calc R . . . .
C56 C 0.5840(5) 0.5946(5) 0.1410(4) 0.0471(16) Uani 1 1 d . . . . .
H56 H 0.6381 0.6311 0.1499 0.057 Uiso 1 1 calc R . . . .
C57 C 0.5724(5) 0.5281(5) 0.0884(3) 0.0464(16) Uani 1 1 d . . . . .
H57 H 0.6185 0.5179 0.0611 0.056 Uiso 1 1 calc R . . . .
C58 C 0.4929(5) 0.4766(5) 0.0759(3) 0.0461(15) Uani 1 1 d . . . . .
H58 H 0.4846 0.4310 0.0395 0.055 Uiso 1 1 calc R . . . .
C59 C 0.4248(5) 0.4900(4) 0.1153(3) 0.0397(13) Uani 1 1 d . . . . .
H59 H 0.3709 0.4533 0.1060 0.048 Uiso 1 1 calc R . . . .
C60 C 0.1851(5) 0.4096(4) 0.1314(3) 0.0396(13) Uani 1 1 d . . . . .
H60A H 0.2458 0.3910 0.1314 0.059 Uiso 1 1 calc GR . . . .
H60B H 0.1479 0.3757 0.0943 0.059 Uiso 1 1 calc GR . . . .
H60C H 0.1608 0.3988 0.1711 0.059 Uiso 1 1 calc GR . . . .
C61 C 0.0698(5) 0.5610(4) 0.1346(3) 0.0438(14) Uani 1 1 d . . . . .
H61A H 0.0540 0.5529 0.1773 0.066 Uiso 1 1 calc GR . . . .
H61B H 0.0294 0.5224 0.1017 0.066 Uiso 1 1 calc GR . . . .
H61C H 0.0647 0.6230 0.1292 0.066 Uiso 1 1 calc GR . . . .
C62 C 0.2128(5) 0.5432(4) 0.0424(3) 0.0413(14) Uani 1 1 d . . . . .
H62A H 0.2047 0.6040 0.0349 0.062 Uiso 1 1 calc GR . . . .
H62B H 0.1729 0.5016 0.0111 0.062 Uiso 1 1 calc GR . . . .
H62C H 0.2746 0.5300 0.0376 0.062 Uiso 1 1 calc GR . . . .
K1 K 0.75317(10) 0.26263(8) 0.25288(6) 0.0405(3) Uani 1 1 d . . . . .
O1 O 0.5681(3) 0.2205(3) 0.2206(2) 0.0443(10) Uani 1 1 d . . . . .
O2 O 0.6588(4) 0.1799(4) 0.3355(3) 0.0571(13) Uani 1 1 d . . . . .
O3 O 0.8350(4) 0.2469(4) 0.3752(2) 0.0541(12) Uani 1 1 d . . . . .
O4 O 0.9380(3) 0.2924(3) 0.2780(2) 0.0462(11) Uani 1 1 d . . . . .
O5 O 0.8469(4) 0.3497(3) 0.1718(2) 0.0457(11) Uani 1 1 d . . . . .
O6 O 0.6740(3) 0.2774(3) 0.1303(2) 0.0448(10) Uani 1 1 d . . . . .
O7 O 0.7288(5) 0.4331(4) 0.3020(3) 0.0707(17) Uani 1 1 d . . . . .
O8 O 0.7732(5) 0.0949(4) 0.1970(3) 0.0731(18) Uani 1 1 d . . . . .
C63 C 0.5372(6) 0.1548(5) 0.2560(4) 0.0519(17) Uani 1 1 d . . . . .
H63A H 0.5623 0.0978 0.2412 0.062 Uiso 1 1 calc R . . . .
H63B H 0.4716 0.1455 0.2486 0.062 Uiso 1 1 calc R . . . .
C64 C 0.5649(6) 0.1840(5) 0.3254(4) 0.0560(19) Uani 1 1 d . . . . .
H64A H 0.5490 0.2454 0.3387 0.067 Uiso 1 1 calc R . . . .
H64B H 0.5345 0.1448 0.3512 0.067 Uiso 1 1 calc R . . . .
C65 C 0.6920(7) 0.1981(6) 0.4004(4) 0.066(2) Uani 1 1 d . . . . .
H65A H 0.6602 0.1581 0.4249 0.079 Uiso 1 1 calc R . . . .
H65B H 0.6826 0.2600 0.4184 0.079 Uiso 1 1 calc R . . . .
C66 C 0.7883(7) 0.1847(6) 0.4063(4) 0.062(2) Uani 1 1 d . . . . .
H66A H 0.8113 0.1925 0.4522 0.074 Uiso 1 1 calc R . . . .
H66B H 0.7977 0.1236 0.3862 0.074 Uiso 1 1 calc R . . . .
C67 C 0.9274(6) 0.2352(6) 0.3753(4) 0.060(2) Uani 1 1 d . . . . .
H67A H 0.9361 0.1759 0.3514 0.073 Uiso 1 1 calc R . . . .
H67B H 0.9548 0.2389 0.4200 0.073 Uiso 1 1 calc R . . . .
C68 C 0.9705(6) 0.3056(6) 0.3442(4) 0.059(2) Uani 1 1 d . . . . .
H68A H 0.9569 0.3649 0.3653 0.071 Uiso 1 1 calc R . . . .
H68B H 1.0359 0.3027 0.3487 0.071 Uiso 1 1 calc R . . . .
C69 C 0.9745(6) 0.3591(5) 0.2461(4) 0.0536(18) Uani 1 1 d . . . . .
H69A H 1.0402 0.3592 0.2502 0.064 Uiso 1 1 calc R . . . .
H69B H 0.9586 0.4180 0.2662 0.064 Uiso 1 1 calc R . . . .
C70 C 0.9396(5) 0.3421(5) 0.1766(4) 0.0527(17) Uani 1 1 d . . . . .
H70A H 0.9688 0.3857 0.1536 0.063 Uiso 1 1 calc R . . . .
H70B H 0.9524 0.2819 0.1569 0.063 Uiso 1 1 calc R . . . .
C71 C 0.8104(6) 0.3455(5) 0.1070(3) 0.0482(16) Uani 1 1 d . . . . .
H71A H 0.8234 0.2891 0.0811 0.058 Uiso 1 1 calc R . . . .
H71B H 0.8372 0.3952 0.0884 0.058 Uiso 1 1 calc R . . . .
C72 C 0.7133(6) 0.3511(5) 0.1059(4) 0.0511(17) Uani 1 1 d . . . . .
H72A H 0.7007 0.4071 0.1324 0.061 Uiso 1 1 calc R . . . .
H72B H 0.6873 0.3510 0.0612 0.061 Uiso 1 1 calc R . . . .
C73 C 0.5793(5) 0.2708(6) 0.1215(4) 0.0536(17) Uani 1 1 d . . . . .
H73A H 0.5586 0.2592 0.0750 0.064 Uiso 1 1 calc R . . . .
H73B H 0.5568 0.3273 0.1406 0.064 Uiso 1 1 calc R . . . .
C74 C 0.5449(6) 0.1971(5) 0.1531(4) 0.0540(18) Uani 1 1 d . . . . .
H74A H 0.4795 0.1874 0.1437 0.065 Uiso 1 1 calc R . . . .
H74B H 0.5714 0.1415 0.1368 0.065 Uiso 1 1 calc R . . . .
C75 C 0.6484(8) 0.4640(8) 0.2809(5) 0.078(3) Uani 1 1 d . . . . .
H75A H 0.6145 0.4188 0.2475 0.093 Uiso 1 1 calc R . . . .
H75B H 0.6591 0.5189 0.2625 0.093 Uiso 1 1 calc R . . . .
C76 C 0.5973(9) 0.4822(9) 0.3391(7) 0.097(4) Uani 1 1 d . . . . .
H76A H 0.5698 0.5394 0.3403 0.116 Uiso 1 1 calc R . . . .
H76B H 0.5500 0.4344 0.3385 0.116 Uiso 1 1 calc R . . . .
C77 C 0.6633(9) 0.4855(9) 0.3945(6) 0.103(5) Uani 1 1 d . . . . .
H77A H 0.6473 0.4390 0.4201 0.124 Uiso 1 1 calc R . . . .
H77B H 0.6664 0.5440 0.4224 0.124 Uiso 1 1 calc R . . . .
C78 C 0.7511(9) 0.4703(8) 0.3686(6) 0.091(3) Uani 1 1 d . . . . .
H78A H 0.7883 0.5269 0.3729 0.109 Uiso 1 1 calc R . . . .
H78B H 0.7837 0.4287 0.3917 0.109 Uiso 1 1 calc R . . . .
C79 C 0.8301(9) 0.0398(6) 0.2277(5) 0.080(3) Uani 1 1 d . . . . .
H79A H 0.7959 0.0043 0.2539 0.096 Uiso 1 1 calc R . . . .
H79B H 0.8783 0.0765 0.2563 0.096 Uiso 1 1 calc R . . . .
C80 C 0.8672(7) -0.0186(6) 0.1768(5) 0.070(2) Uani 1 1 d . . . . .
H80A H 0.8283 -0.0738 0.1624 0.084 Uiso 1 1 calc R . . . .
H80B H 0.9273 -0.0341 0.1915 0.084 Uiso 1 1 calc R . . . .
C81 C 0.8705(10) 0.0369(8) 0.1249(6) 0.093(4) Uani 1 1 d . . . . .
H81A H 0.9291 0.0706 0.1281 0.112 Uiso 1 1 calc R . . . .
H81B H 0.8595 -0.0005 0.0820 0.112 Uiso 1 1 calc R . . . .
C82 C 0.8002(10) 0.0966(8) 0.1354(5) 0.095(4) Uani 1 1 d . . . . .
H82A H 0.8222 0.1577 0.1316 0.113 Uiso 1 1 calc R . . . .
H82B H 0.7491 0.0779 0.1025 0.113 Uiso 1 1 calc R . . . .
O9 O 0.1590(6) 0.2846(5) 0.4311(3) 0.089(2) Uani 1 1 d . . . . .
C83 C 0.1923(15) 0.2004(8) 0.4346(6) 0.092(5) Uani 0.79(4) 1 d . . P A 1
H83A H 0.2479 0.1954 0.4136 0.111 Uiso 0.79(4) 1 calc R . P A 1
H83B H 0.1482 0.1524 0.4126 0.111 Uiso 0.79(4) 1 calc R . P A 1
C83A C 0.145(2) 0.2004(15) 0.4477(17) 0.050(12) Uiso 0.21(4) 1 d . . P A 2
H83C H 0.1526 0.1542 0.4108 0.060 Uiso 0.21(4) 1 calc R . P A 2
H83D H 0.0835 0.1917 0.4596 0.060 Uiso 0.21(4) 1 calc R . P A 2
C84 C 0.2090(10) 0.1933(7) 0.5021(5) 0.092(3) Uani 1 1 d . . . . .
H84A H 0.2601 0.1577 0.5096 0.111 Uiso 0.79(4) 1 calc R . P A 1
H84B H 0.1561 0.1659 0.5179 0.111 Uiso 0.79(4) 1 calc R . P A 1
H84C H 0.1830 0.1567 0.5315 0.111 Uiso 0.21(4) 1 calc R . P A 2
H84D H 0.2632 0.1672 0.4873 0.111 Uiso 0.21(4) 1 calc R . P A 2
C85 C 0.2285(8) 0.2847(6) 0.5330(5) 0.074(3) Uani 1 1 d . . . . .
H85A H 0.2934 0.2981 0.5436 0.089 Uiso 1 1 calc R . . . .
H85B H 0.1993 0.2957 0.5732 0.089 Uiso 1 1 calc R . . . .
C86 C 0.1937(9) 0.3401(6) 0.4869(5) 0.085(3) Uani 1 1 d . . . . .
H86A H 0.1468 0.3755 0.5051 0.102 Uiso 1 1 calc R . . . .
H86B H 0.2420 0.3813 0.4776 0.102 Uiso 1 1 calc R . . . .
O10 O 0.6280(9) 0.7843(8) -0.0403(6) 0.142(4) Uani 1 1 d . . . . .
C87A C 0.682(3) 0.744(2) 0.0025(15) 0.119(5) Uani 0.50(6) 1 d . . P B 1
H87A H 0.7361 0.7247 -0.0165 0.143 Uiso 0.50(6) 1 calc R . P B 1
H87B H 0.6490 0.6913 0.0141 0.143 Uiso 0.50(6) 1 calc R . P B 1
C88A C 0.703(3) 0.812(2) 0.0581(19) 0.116(5) Uani 0.50(6) 1 d . . P B 1
H88A H 0.6933 0.7873 0.0976 0.140 Uiso 0.50(6) 1 calc R . P B 1
H88B H 0.7668 0.8332 0.0608 0.140 Uiso 0.50(6) 1 calc R . P B 1
C90 C 0.6152(14) 0.8712(10) -0.0118(8) 0.137(4) Uani 1 1 d . . . . .
H90A H 0.5509 0.8806 -0.0154 0.165 Uiso 1 1 calc R . . . .
H90B H 0.6459 0.9143 -0.0344 0.165 Uiso 1 1 calc R . . . .
C89 C 0.6490(14) 0.8851(11) 0.0535(8) 0.134(4) Uani 1 1 d . . . . .
H89A H 0.6004 0.8839 0.0817 0.161 Uiso 0.50(6) 1 calc R . P B 1
H89B H 0.6850 0.9425 0.0653 0.161 Uiso 0.50(6) 1 calc R . P B 1
H89C H 0.6061 0.9139 0.0809 0.161 Uiso 0.50(6) 1 calc R . P B 2
H89D H 0.7058 0.9226 0.0605 0.161 Uiso 0.50(6) 1 calc R . P B 2
C87 C 0.660(3) 0.7367(19) 0.0081(12) 0.109(6) Uiso 0.50(6) 1 d . . P B 2
H87C H 0.7196 0.7175 0.0008 0.130 Uiso 0.50(6) 1 calc R . P B 2
H87D H 0.6190 0.6837 0.0088 0.130 Uiso 0.50(6) 1 calc R . P B 2
C88 C 0.662(4) 0.7975(14) 0.0672(15) 0.107(6) Uiso 0.50(6) 1 d . . P B 2
H88C H 0.7207 0.7978 0.0925 0.128 Uiso 0.50(6) 1 calc R . P B 2
H88D H 0.6155 0.7786 0.0930 0.128 Uiso 0.50(6) 1 calc R . P B 2


_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 N1 2.459(5) . ?
Dy1 N2 2.480(5) . ?
Dy1 N3 2.470(5) . ?
Dy1 N4 2.488(4) . ?
Dy1 C1 2.434(6) . ?
Dy1 C32 2.431(6) . ?
P1 N1 1.621(5) . ?
P1 C1 1.629(7) . ?
P1 C2 1.840(7) . ?
P1 C8 1.849(7) . ?
P2 N2 1.614(5) . ?
P2 C1 1.653(7) . ?
P2 C17 1.856(6) . ?
P2 C23 1.845(6) . ?
P3 N3 1.619(5) . ?
P3 C32 1.646(6) . ?
P3 C33 1.852(6) . ?
P3 C39 1.844(6) . ?
P4 N4 1.605(5) . ?
P4 C32 1.634(6) . ?
P4 C48 1.836(6) . ?
P4 C54 1.842(6) . ?
Si1 N1 1.727(5) . ?
Si1 C14 1.896(7) . ?
Si1 C15 1.883(8) . ?
Si1 C16 1.858(8) . ?
Si2 N2 1.717(5) . ?
Si2 C29 1.892(7) . ?
Si2 C30 1.880(7) . ?
Si2 C31 1.858(7) . ?
Si3 N3 1.713(5) . ?
Si3 C45 1.903(9) . ?
Si3 C46 1.866(9) . ?
Si3 C47 1.871(7) . ?
Si4 N4 1.723(5) . ?
Si4 C60 1.891(6) . ?
Si4 C61 1.867(7) . ?
Si4 C62 1.883(7) . ?
C2 C3 1.372(10) . ?
C2 C7 1.405(11) . ?
C3 H3 0.9500 . ?
C3 C4 1.412(10) . ?
C4 H4 0.9500 . ?
C4 C5 1.345(13) . ?
C5 H5 0.9500 . ?
C5 C6 1.390(14) . ?
C6 H6 0.9500 . ?
C6 C7 1.383(11) . ?
C7 H7 0.9500 . ?
C8 C9 1.374(10) . ?
C8 C13 1.400(9) . ?
C9 H9 0.9500 . ?
C9 C10 1.382(9) . ?
C10 H10 0.9500 . ?
C10 C11 1.380(12) . ?
C11 H11 0.9500 . ?
C11 C12 1.361(12) . ?
C12 H12 0.9500 . ?
C12 C13 1.389(10) . ?
C13 H13 0.9500 . ?
C14 H14A 0.9800 . ?
C14 H14B 0.9800 . ?
C14 H14C 0.9800 . ?
C15 H15A 0.9800 . ?
C15 H15B 0.9800 . ?
C15 H15C 0.9800 . ?
C16 H16A 0.9800 . ?
C16 H16B 0.9800 . ?
C16 H16C 0.9800 . ?
C17 C18 1.369(9) . ?
C17 C22 1.388(9) . ?
C18 H18 0.9500 . ?
C18 C19 1.396(9) . ?
C19 H19 0.9500 . ?
C19 C20 1.386(10) . ?
C20 H20 0.9500 . ?
C20 C21 1.390(10) . ?
C21 H21 0.9500 . ?
C21 C22 1.377(9) . ?
C22 H22 0.9500 . ?
C23 C24 1.388(11) . ?
C23 C28 1.383(11) . ?
C24 H24 0.9500 . ?
C24 C25 1.402(11) . ?
C25 H25 0.9500 . ?
C25 C26 1.361(16) . ?
C26 H26 0.9500 . ?
C26 C27 1.377(16) . ?
C27 H27 0.9500 . ?
C27 C28 1.402(10) . ?
C28 H28 0.9500 . ?
C29 H29A 0.9800 . ?
C29 H29B 0.9800 . ?
C29 H29C 0.9800 . ?
C30 H30A 0.9800 . ?
C30 H30B 0.9800 . ?
C30 H30C 0.9800 . ?
C31 H31A 0.9800 . ?
C31 H31B 0.9800 . ?
C31 H31C 0.9800 . ?
C33 C34 1.396(9) . ?
C33 C38 1.385(9) . ?
C34 H34 0.9500 . ?
C34 C35 1.372(9) . ?
C35 H35 0.9500 . ?
C35 C36 1.377(11) . ?
C36 H36 0.9500 . ?
C36 C37 1.386(10) . ?
C37 H37 0.9500 . ?
C37 C38 1.385(9) . ?
C38 H38 0.9500 . ?
C39 C40 1.372(9) . ?
C39 C44 1.382(9) . ?
C40 H40 0.9500 . ?
C40 C41 1.390(11) . ?
C41 H41 0.9500 . ?
C41 C42 1.387(11) . ?
C42 H42 0.9500 . ?
C42 C43 1.375(12) . ?
C43 H43 0.9500 . ?
C43 C44 1.387(11) . ?
C44 H44 0.9500 . ?
C45 H45A 0.9800 . ?
C45 H45B 0.9800 . ?
C45 H45C 0.9800 . ?
C46 H46A 0.9800 . ?
C46 H46B 0.9800 . ?
C46 H46C 0.9800 . ?
C47 H47A 0.9800 . ?
C47 H47B 0.9800 . ?
C47 H47C 0.9800 . ?
C48 C49 1.404(10) . ?
C48 C53 1.383(9) . ?
C49 H49 0.9500 . ?
C49 C50 1.380(10) . ?
C50 H50 0.9500 . ?
C50 C51 1.383(12) . ?
C51 H51 0.9500 . ?
C51 C52 1.388(14) . ?
C52 H52 0.9500 . ?
C52 C53 1.400(11) . ?
C53 H53 0.9500 . ?
C54 C55 1.387(9) . ?
C54 C59 1.399(9) . ?
C55 H55 0.9500 . ?
C55 C56 1.397(9) . ?
C56 H56 0.9500 . ?
C56 C57 1.379(11) . ?
C57 H57 0.9500 . ?
C57 C58 1.378(11) . ?
C58 H58 0.9500 . ?
C58 C59 1.389(10) . ?
C59 H59 0.9500 . ?
C60 H60A 0.9800 . ?
C60 H60B 0.9800 . ?
C60 H60C 0.9800 . ?
C61 H61A 0.9800 . ?
C61 H61B 0.9800 . ?
C61 H61C 0.9800 . ?
C62 H62A 0.9800 . ?
C62 H62B 0.9800 . ?
C62 H62C 0.9800 . ?
K1 O1 2.834(5) . ?
K1 O2 2.758(5) . ?
K1 O3 2.819(5) . ?
K1 O4 2.797(5) . ?
K1 O5 2.765(5) . ?
K1 O6 2.805(5) . ?
K1 O7 2.716(6) . ?
K1 O8 2.703(6) . ?
O1 C63 1.423(9) . ?
O1 C74 1.424(9) . ?
O2 C64 1.426(11) . ?
O2 C65 1.399(10) . ?
O3 C66 1.425(10) . ?
O3 C67 1.423(11) . ?
O4 C68 1.422(9) . ?
O4 C69 1.420(9) . ?
O5 C70 1.412(10) . ?
O5 C71 1.421(9) . ?
O6 C72 1.429(9) . ?
O6 C73 1.425(10) . ?
O7 C75 1.395(12) . ?
O7 C78 1.436(13) . ?
O8 C79 1.425(12) . ?
O8 C82 1.405(12) . ?
C63 H63A 0.9900 . ?
C63 H63B 0.9900 . ?
C63 C64 1.483(12) . ?
C64 H64A 0.9900 . ?
C64 H64B 0.9900 . ?
C65 H65A 0.9900 . ?
C65 H65B 0.9900 . ?
C65 C66 1.481(14) . ?
C66 H66A 0.9900 . ?
C66 H66B 0.9900 . ?
C67 H67A 0.9900 . ?
C67 H67B 0.9900 . ?
C67 C68 1.494(13) . ?
C68 H68A 0.9900 . ?
C68 H68B 0.9900 . ?
C69 H69A 0.9900 . ?
C69 H69B 0.9900 . ?
C69 C70 1.494(11) . ?
C70 H70A 0.9900 . ?
C70 H70B 0.9900 . ?
C71 H71A 0.9900 . ?
C71 H71B 0.9900 . ?
C71 C72 1.476(11) . ?
C72 H72A 0.9900 . ?
C72 H72B 0.9900 . ?
C73 H73A 0.9900 . ?
C73 H73B 0.9900 . ?
C73 C74 1.489(11) . ?
C74 H74A 0.9900 . ?
C74 H74B 0.9900 . ?
C75 H75A 0.9900 . ?
C75 H75B 0.9900 . ?
C75 C76 1.511(16) . ?
C76 H76A 0.9900 . ?
C76 H76B 0.9900 . ?
C76 C77 1.46(2) . ?
C77 H77A 0.9900 . ?
C77 H77B 0.9900 . ?
C77 C78 1.500(18) . ?
C78 H78A 0.9900 . ?
C78 H78B 0.9900 . ?
C79 H79A 0.9900 . ?
C79 H79B 0.9900 . ?
C79 C80 1.467(15) . ?
C80 H80A 0.9900 . ?
C80 H80B 0.9900 . ?
C80 C81 1.491(15) . ?
C81 H81A 0.9900 . ?
C81 H81B 0.9900 . ?
C81 C82 1.456(15) . ?
C82 H82A 0.9900 . ?
C82 H82B 0.9900 . ?
O9 C83 1.423(13) . ?
O9 C83A 1.397(16) . ?
O9 C86 1.384(11) . ?
C83 H83A 0.9900 . ?
C83 H83B 0.9900 . ?
C83 C84 1.449(14) . ?
C83A H83C 0.9900 . ?
C83A H83D 0.9900 . ?
C83A C84 1.459(17) . ?
C84 H84A 0.9900 . ?
C84 H84B 0.9900 . ?
C84 H84C 0.9900 . ?
C84 H84D 0.9900 . ?
C84 C85 1.450(14) . ?
C85 H85A 0.9900 . ?
C85 H85B 0.9900 . ?
C85 C86 1.471(11) . ?
C86 H86A 0.9900 . ?
C86 H86B 0.9900 . ?
O10 C87A 1.404(16) . ?
O10 C90 1.406(13) . ?
O10 C87 1.412(16) . ?
C87A H87A 0.9900 . ?
C87A H87B 0.9900 . ?
C87A C88A 1.447(17) . ?
C88A H88A 0.9900 . ?
C88A H88B 0.9900 . ?
C88A C89 1.439(19) . ?
C90 H90A 0.9900 . ?
C90 H90B 0.9900 . ?
C90 C89 1.408(15) . ?
C89 H89A 0.9900 . ?
C89 H89B 0.9900 . ?
C89 H89C 0.9900 . ?
C89 H89D 0.9900 . ?
C89 C88 1.437(19) . ?
C87 H87C 0.9900 . ?
C87 H87D 0.9900 . ?
C87 C88 1.436(17) . ?
C88 H88C 0.9900 . ?
C88 H88D 0.9900 . ?

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
N1 Dy1 N2 128.35(17) . . ?
N1 Dy1 N3 101.57(17) . . ?
N1 Dy1 N4 101.38(15) . . ?
N2 Dy1 N4 99.82(15) . . ?
N3 Dy1 N2 101.29(16) . . ?
N3 Dy1 N4 127.96(17) . . ?
C1 Dy1 N1 64.2(2) . . ?
C1 Dy1 N2 64.30(19) . . ?
C1 Dy1 N3 113.49(18) . . ?
C1 Dy1 N4 118.54(18) . . ?
C32 Dy1 N1 113.17(18) . . ?
C32 Dy1 N2 118.47(18) . . ?
C32 Dy1 N3 64.45(19) . . ?
C32 Dy1 N4 63.63(18) . . ?
C32 Dy1 C1 176.6(2) . . ?
N1 P1 C1 106.2(3) . . ?
N1 P1 C2 110.9(3) . . ?
N1 P1 C8 110.6(3) . . ?
C1 P1 C2 114.0(3) . . ?
C1 P1 C8 112.6(3) . . ?
C2 P1 C8 102.7(3) . . ?
N2 P2 C1 106.4(3) . . ?
N2 P2 C17 110.9(3) . . ?
N2 P2 C23 112.9(3) . . ?
C1 P2 C17 113.6(3) . . ?
C1 P2 C23 112.2(3) . . ?
C23 P2 C17 101.0(3) . . ?
N3 P3 C32 106.3(3) . . ?
N3 P3 C33 114.3(3) . . ?
N3 P3 C39 110.6(3) . . ?
C32 P3 C33 111.9(3) . . ?
C32 P3 C39 112.5(3) . . ?
C39 P3 C33 101.3(3) . . ?
N4 P4 C32 106.4(3) . . ?
N4 P4 C48 109.7(3) . . ?
N4 P4 C54 112.4(3) . . ?
C32 P4 C48 112.6(3) . . ?
C32 P4 C54 113.6(3) . . ?
C48 P4 C54 102.2(3) . . ?
N1 Si1 C14 114.0(3) . . ?
N1 Si1 C15 116.1(3) . . ?
N1 Si1 C16 108.2(3) . . ?
C15 Si1 C14 103.8(4) . . ?
C16 Si1 C14 106.0(3) . . ?
C16 Si1 C15 108.2(4) . . ?
N2 Si2 C29 114.8(3) . . ?
N2 Si2 C30 112.8(3) . . ?
N2 Si2 C31 108.6(3) . . ?
C30 Si2 C29 106.1(3) . . ?
C31 Si2 C29 106.2(3) . . ?
C31 Si2 C30 108.0(3) . . ?
N3 Si3 C45 116.1(3) . . ?
N3 Si3 C46 111.6(3) . . ?
N3 Si3 C47 108.4(3) . . ?
C46 Si3 C45 105.9(4) . . ?
C46 Si3 C47 108.7(4) . . ?
C47 Si3 C45 105.7(4) . . ?
N4 Si4 C60 115.4(3) . . ?
N4 Si4 C61 109.0(3) . . ?
N4 Si4 C62 112.2(3) . . ?
C61 Si4 C60 105.1(3) . . ?
C61 Si4 C62 108.4(3) . . ?
C62 Si4 C60 106.3(3) . . ?
P1 N1 Dy1 94.2(2) . . ?
P1 N1 Si1 131.5(3) . . ?
Si1 N1 Dy1 133.1(3) . . ?
P2 N2 Dy1 94.3(2) . . ?
P2 N2 Si2 132.1(3) . . ?
Si2 N2 Dy1 133.3(3) . . ?
P3 N3 Dy1 94.2(2) . . ?
P3 N3 Si3 132.1(3) . . ?
Si3 N3 Dy1 133.6(3) . . ?
P4 N4 Dy1 94.3(2) . . ?
P4 N4 Si4 130.8(3) . . ?
Si4 N4 Dy1 134.6(3) . . ?
P1 C1 Dy1 95.0(3) . . ?
P1 C1 P2 166.4(4) . . ?
P2 C1 Dy1 95.0(3) . . ?
C3 C2 P1 119.3(6) . . ?
C3 C2 C7 118.5(7) . . ?
C7 C2 P1 122.1(5) . . ?
C2 C3 H3 119.8 . . ?
C2 C3 C4 120.5(7) . . ?
C4 C3 H3 119.8 . . ?
C3 C4 H4 119.8 . . ?
C5 C4 C3 120.5(8) . . ?
C5 C4 H4 119.8 . . ?
C4 C5 H5 120.0 . . ?
C4 C5 C6 120.1(7) . . ?
C6 C5 H5 120.0 . . ?
C5 C6 H6 119.9 . . ?
C7 C6 C5 120.2(8) . . ?
C7 C6 H6 119.9 . . ?
C2 C7 H7 119.9 . . ?
C6 C7 C2 120.2(8) . . ?
C6 C7 H7 119.9 . . ?
C9 C8 P1 123.7(5) . . ?
C9 C8 C13 119.4(6) . . ?
C13 C8 P1 116.9(5) . . ?
C8 C9 H9 119.5 . . ?
C8 C9 C10 121.1(7) . . ?
C10 C9 H9 119.5 . . ?
C9 C10 H10 120.4 . . ?
C11 C10 C9 119.2(7) . . ?
C11 C10 H10 120.4 . . ?
C10 C11 H11 119.7 . . ?
C12 C11 C10 120.5(7) . . ?
C12 C11 H11 119.7 . . ?
C11 C12 H12 119.6 . . ?
C11 C12 C13 120.9(7) . . ?
C13 C12 H12 119.6 . . ?
C8 C13 H13 120.5 . . ?
C12 C13 C8 118.9(7) . . ?
C12 C13 H13 120.5 . . ?
Si1 C14 H14A 109.5 . . ?
Si1 C14 H14B 109.5 . . ?
Si1 C14 H14C 109.5 . . ?
H14A C14 H14B 109.5 . . ?
H14A C14 H14C 109.5 . . ?
H14B C14 H14C 109.5 . . ?
Si1 C15 H15A 109.5 . . ?
Si1 C15 H15B 109.5 . . ?
Si1 C15 H15C 109.5 . . ?
H15A C15 H15B 109.5 . . ?
H15A C15 H15C 109.5 . . ?
H15B C15 H15C 109.5 . . ?
Si1 C16 H16A 109.5 . . ?
Si1 C16 H16B 109.5 . . ?
Si1 C16 H16C 109.5 . . ?
H16A C16 H16B 109.5 . . ?
H16A C16 H16C 109.5 . . ?
H16B C16 H16C 109.5 . . ?
C18 C17 P2 123.0(5) . . ?
C18 C17 C22 119.3(6) . . ?
C22 C17 P2 117.2(5) . . ?
C17 C18 H18 119.9 . . ?
C17 C18 C19 120.3(6) . . ?
C19 C18 H18 119.9 . . ?
C18 C19 H19 119.8 . . ?
C20 C19 C18 120.3(6) . . ?
C20 C19 H19 119.8 . . ?
C19 C20 H20 120.5 . . ?
C19 C20 C21 119.0(6) . . ?
C21 C20 H20 120.5 . . ?
C20 C21 H21 119.9 . . ?
C22 C21 C20 120.1(6) . . ?
C22 C21 H21 119.9 . . ?
C17 C22 H22 119.6 . . ?
C21 C22 C17 120.9(6) . . ?
C21 C22 H22 119.6 . . ?
C24 C23 P2 118.3(6) . . ?
C28 C23 P2 122.2(5) . . ?
C28 C23 C24 119.5(6) . . ?
C23 C24 H24 120.1 . . ?
C23 C24 C25 119.8(9) . . ?
C25 C24 H24 120.1 . . ?
C24 C25 H25 120.0 . . ?
C26 C25 C24 120.0(9) . . ?
C26 C25 H25 120.0 . . ?
C25 C26 H26 119.4 . . ?
C25 C26 C27 121.2(7) . . ?
C27 C26 H26 119.4 . . ?
C26 C27 H27 120.5 . . ?
C26 C27 C28 119.1(9) . . ?
C28 C27 H27 120.5 . . ?
C23 C28 C27 120.4(8) . . ?
C23 C28 H28 119.8 . . ?
C27 C28 H28 119.8 . . ?
Si2 C29 H29A 109.5 . . ?
Si2 C29 H29B 109.5 . . ?
Si2 C29 H29C 109.5 . . ?
H29A C29 H29B 109.5 . . ?
H29A C29 H29C 109.5 . . ?
H29B C29 H29C 109.5 . . ?
Si2 C30 H30A 109.5 . . ?
Si2 C30 H30B 109.5 . . ?
Si2 C30 H30C 109.5 . . ?
H30A C30 H30B 109.5 . . ?
H30A C30 H30C 109.5 . . ?
H30B C30 H30C 109.5 . . ?
Si2 C31 H31A 109.5 . . ?
Si2 C31 H31B 109.5 . . ?
Si2 C31 H31C 109.5 . . ?
H31A C31 H31B 109.5 . . ?
H31A C31 H31C 109.5 . . ?
H31B C31 H31C 109.5 . . ?
P3 C32 Dy1 94.9(3) . . ?
P4 C32 Dy1 95.6(3) . . ?
P4 C32 P3 167.3(4) . . ?
C34 C33 P3 123.5(5) . . ?
C38 C33 P3 118.0(5) . . ?
C38 C33 C34 118.4(6) . . ?
C33 C34 H34 120.0 . . ?
C35 C34 C33 120.1(6) . . ?
C35 C34 H34 120.0 . . ?
C34 C35 H35 119.2 . . ?
C34 C35 C36 121.5(6) . . ?
C36 C35 H35 119.2 . . ?
C35 C36 H36 120.5 . . ?
C35 C36 C37 119.0(6) . . ?
C37 C36 H36 120.5 . . ?
C36 C37 H37 120.1 . . ?
C38 C37 C36 119.8(6) . . ?
C38 C37 H37 120.1 . . ?
C33 C38 C37 121.2(6) . . ?
C33 C38 H38 119.4 . . ?
C37 C38 H38 119.4 . . ?
C40 C39 P3 121.5(5) . . ?
C40 C39 C44 119.0(6) . . ?
C44 C39 P3 118.6(5) . . ?
C39 C40 H40 119.5 . . ?
C39 C40 C41 121.0(6) . . ?
C41 C40 H40 119.5 . . ?
C40 C41 H41 120.0 . . ?
C42 C41 C40 119.9(7) . . ?
C42 C41 H41 120.0 . . ?
C41 C42 H42 120.5 . . ?
C43 C42 C41 119.0(7) . . ?
C43 C42 H42 120.5 . . ?
C42 C43 H43 119.6 . . ?
C42 C43 C44 120.8(7) . . ?
C44 C43 H43 119.6 . . ?
C39 C44 C43 120.3(7) . . ?
C39 C44 H44 119.9 . . ?
C43 C44 H44 119.9 . . ?
Si3 C45 H45A 109.5 . . ?
Si3 C45 H45B 109.5 . . ?
Si3 C45 H45C 109.5 . . ?
H45A C45 H45B 109.5 . . ?
H45A C45 H45C 109.5 . . ?
H45B C45 H45C 109.5 . . ?
Si3 C46 H46A 109.5 . . ?
Si3 C46 H46B 109.5 . . ?
Si3 C46 H46C 109.5 . . ?
H46A C46 H46B 109.5 . . ?
H46A C46 H46C 109.5 . . ?
H46B C46 H46C 109.5 . . ?
Si3 C47 H47A 109.5 . . ?
Si3 C47 H47B 109.5 . . ?
Si3 C47 H47C 109.5 . . ?
H47A C47 H47B 109.5 . . ?
H47A C47 H47C 109.5 . . ?
H47B C47 H47C 109.5 . . ?
C49 C48 P4 116.7(5) . . ?
C53 C48 P4 124.9(5) . . ?
C53 C48 C49 118.4(6) . . ?
C48 C49 H49 119.6 . . ?
C50 C49 C48 120.8(7) . . ?
C50 C49 H49 119.6 . . ?
C49 C50 H50 119.8 . . ?
C49 C50 C51 120.5(8) . . ?
C51 C50 H50 119.8 . . ?
C50 C51 H51 120.2 . . ?
C50 C51 C52 119.5(7) . . ?
C52 C51 H51 120.2 . . ?
C51 C52 H52 120.0 . . ?
C51 C52 C53 120.0(8) . . ?
C53 C52 H52 120.0 . . ?
C48 C53 C52 120.8(8) . . ?
C48 C53 H53 119.6 . . ?
C52 C53 H53 119.6 . . ?
C55 C54 P4 118.4(5) . . ?
C55 C54 C59 118.3(6) . . ?
C59 C54 P4 123.3(5) . . ?
C54 C55 H55 119.4 . . ?
C54 C55 C56 121.1(6) . . ?
C56 C55 H55 119.4 . . ?
C55 C56 H56 119.9 . . ?
C57 C56 C55 120.1(7) . . ?
C57 C56 H56 119.9 . . ?
C56 C57 H57 120.5 . . ?
C58 C57 C56 119.0(6) . . ?
C58 C57 H57 120.5 . . ?
C57 C58 H58 119.2 . . ?
C57 C58 C59 121.5(7) . . ?
C59 C58 H58 119.2 . . ?
C54 C59 H59 120.1 . . ?
C58 C59 C54 119.9(7) . . ?
C58 C59 H59 120.1 . . ?
Si4 C60 H60A 109.5 . . ?
Si4 C60 H60B 109.5 . . ?
Si4 C60 H60C 109.5 . . ?
H60A C60 H60B 109.5 . . ?
H60A C60 H60C 109.5 . . ?
H60B C60 H60C 109.5 . . ?
Si4 C61 H61A 109.5 . . ?
Si4 C61 H61B 109.5 . . ?
Si4 C61 H61C 109.5 . . ?
H61A C61 H61B 109.5 . . ?
H61A C61 H61C 109.5 . . ?
H61B C61 H61C 109.5 . . ?
Si4 C62 H62A 109.5 . . ?
Si4 C62 H62B 109.5 . . ?
Si4 C62 H62C 109.5 . . ?
H62A C62 H62B 109.5 . . ?
H62A C62 H62C 109.5 . . ?
H62B C62 H62C 109.5 . . ?
O2 K1 O1 61.38(17) . . ?
O2 K1 O3 60.37(18) . . ?
O2 K1 O4 119.32(17) . . ?
O2 K1 O5 178.52(16) . . ?
O2 K1 O6 120.21(17) . . ?
O3 K1 O1 120.99(16) . . ?
O4 K1 O1 175.53(14) . . ?
O4 K1 O3 60.63(16) . . ?
O4 K1 O6 118.65(15) . . ?
O5 K1 O1 118.65(15) . . ?
O5 K1 O3 119.34(17) . . ?
O5 K1 O4 60.79(15) . . ?
O5 K1 O6 60.10(15) . . ?
O6 K1 O1 59.69(15) . . ?
O6 K1 O3 179.16(16) . . ?
O7 K1 O1 92.23(19) . . ?
O7 K1 O2 98.13(19) . . ?
O7 K1 O3 87.22(19) . . ?
O7 K1 O4 92.02(19) . . ?
O7 K1 O5 80.38(18) . . ?
O7 K1 O6 93.27(19) . . ?
O8 K1 O1 86.2(2) . . ?
O8 K1 O2 83.81(19) . . ?
O8 K1 O3 96.21(18) . . ?
O8 K1 O4 89.5(2) . . ?
O8 K1 O5 97.67(18) . . ?
O8 K1 O6 83.30(18) . . ?
O8 K1 O7 176.6(2) . . ?
C63 O1 K1 110.1(5) . . ?
C63 O1 C74 113.0(5) . . ?
C74 O1 K1 112.6(4) . . ?
C64 O2 K1 114.2(4) . . ?
C65 O2 K1 115.9(5) . . ?
C65 O2 C64 113.2(7) . . ?
C66 O3 K1 113.6(5) . . ?
C67 O3 K1 112.9(4) . . ?
C67 O3 C66 113.5(6) . . ?
C68 O4 K1 114.9(5) . . ?
C69 O4 K1 113.3(4) . . ?
C69 O4 C68 111.6(6) . . ?
C70 O5 K1 116.0(4) . . ?
C70 O5 C71 112.0(6) . . ?
C71 O5 K1 118.7(4) . . ?
C72 O6 K1 112.1(4) . . ?
C73 O6 K1 116.8(4) . . ?
C73 O6 C72 113.1(5) . . ?
C75 O7 K1 115.5(6) . . ?
C75 O7 C78 108.3(8) . . ?
C78 O7 K1 123.3(7) . . ?
C79 O8 K1 121.1(6) . . ?
C82 O8 K1 108.9(6) . . ?
C82 O8 C79 107.1(8) . . ?
O1 C63 H63A 109.8 . . ?
O1 C63 H63B 109.8 . . ?
O1 C63 C64 109.4(6) . . ?
H63A C63 H63B 108.2 . . ?
C64 C63 H63A 109.8 . . ?
C64 C63 H63B 109.8 . . ?
O2 C64 C63 107.8(7) . . ?
O2 C64 H64A 110.1 . . ?
O2 C64 H64B 110.1 . . ?
C63 C64 H64A 110.1 . . ?
C63 C64 H64B 110.1 . . ?
H64A C64 H64B 108.5 . . ?
O2 C65 H65A 109.9 . . ?
O2 C65 H65B 109.9 . . ?
O2 C65 C66 109.1(7) . . ?
H65A C65 H65B 108.3 . . ?
C66 C65 H65A 109.9 . . ?
C66 C65 H65B 109.9 . . ?
O3 C66 C65 109.8(7) . . ?
O3 C66 H66A 109.7 . . ?
O3 C66 H66B 109.7 . . ?
C65 C66 H66A 109.7 . . ?
C65 C66 H66B 109.7 . . ?
H66A C66 H66B 108.2 . . ?
O3 C67 H67A 109.8 . . ?
O3 C67 H67B 109.8 . . ?
O3 C67 C68 109.2(7) . . ?
H67A C67 H67B 108.3 . . ?
C68 C67 H67A 109.8 . . ?
C68 C67 H67B 109.8 . . ?
O4 C68 C67 108.8(6) . . ?
O4 C68 H68A 109.9 . . ?
O4 C68 H68B 109.9 . . ?
C67 C68 H68A 109.9 . . ?
C67 C68 H68B 109.9 . . ?
H68A C68 H68B 108.3 . . ?
O4 C69 H69A 109.7 . . ?
O4 C69 H69B 109.7 . . ?
O4 C69 C70 109.9(6) . . ?
H69A C69 H69B 108.2 . . ?
C70 C69 H69A 109.7 . . ?
C70 C69 H69B 109.7 . . ?
O5 C70 C69 108.6(7) . . ?
O5 C70 H70A 110.0 . . ?
O5 C70 H70B 110.0 . . ?
C69 C70 H70A 110.0 . . ?
C69 C70 H70B 110.0 . . ?
H70A C70 H70B 108.3 . . ?
O5 C71 H71A 110.0 . . ?
O5 C71 H71B 110.0 . . ?
O5 C71 C72 108.7(6) . . ?
H71A C71 H71B 108.3 . . ?
C72 C71 H71A 110.0 . . ?
C72 C71 H71B 110.0 . . ?
O6 C72 C71 110.1(6) . . ?
O6 C72 H72A 109.6 . . ?
O6 C72 H72B 109.6 . . ?
C71 C72 H72A 109.6 . . ?
C71 C72 H72B 109.6 . . ?
H72A C72 H72B 108.2 . . ?
O6 C73 H73A 109.9 . . ?
O6 C73 H73B 109.9 . . ?
O6 C73 C74 108.9(6) . . ?
H73A C73 H73B 108.3 . . ?
C74 C73 H73A 109.9 . . ?
C74 C73 H73B 109.9 . . ?
O1 C74 C73 108.2(6) . . ?
O1 C74 H74A 110.1 . . ?
O1 C74 H74B 110.1 . . ?
C73 C74 H74A 110.1 . . ?
C73 C74 H74B 110.1 . . ?
H74A C74 H74B 108.4 . . ?
O7 C75 H75A 110.4 . . ?
O7 C75 H75B 110.4 . . ?
O7 C75 C76 106.6(10) . . ?
H75A C75 H75B 108.6 . . ?
C76 C75 H75A 110.4 . . ?
C76 C75 H75B 110.4 . . ?
C75 C76 H76A 110.7 . . ?
C75 C76 H76B 110.7 . . ?
H76A C76 H76B 108.8 . . ?
C77 C76 C75 105.2(11) . . ?
C77 C76 H76A 110.7 . . ?
C77 C76 H76B 110.7 . . ?
C76 C77 H77A 110.3 . . ?
C76 C77 H77B 110.3 . . ?
C76 C77 C78 107.0(10) . . ?
H77A C77 H77B 108.6 . . ?
C78 C77 H77A 110.3 . . ?
C78 C77 H77B 110.3 . . ?
O7 C78 C77 104.9(10) . . ?
O7 C78 H78A 110.8 . . ?
O7 C78 H78B 110.8 . . ?
C77 C78 H78A 110.8 . . ?
C77 C78 H78B 110.8 . . ?
H78A C78 H78B 108.9 . . ?
O8 C79 H79A 110.3 . . ?
O8 C79 H79B 110.3 . . ?
O8 C79 C80 107.2(8) . . ?
H79A C79 H79B 108.5 . . ?
C80 C79 H79A 110.3 . . ?
C80 C79 H79B 110.3 . . ?
C79 C80 H80A 111.3 . . ?
C79 C80 H80B 111.3 . . ?
C79 C80 C81 102.6(8) . . ?
H80A C80 H80B 109.2 . . ?
C81 C80 H80A 111.3 . . ?
C81 C80 H80B 111.3 . . ?
C80 C81 H81A 110.8 . . ?
C80 C81 H81B 110.8 . . ?
H81A C81 H81B 108.9 . . ?
C82 C81 C80 104.7(10) . . ?
C82 C81 H81A 110.8 . . ?
C82 C81 H81B 110.8 . . ?
O8 C82 C81 109.3(8) . . ?
O8 C82 H82A 109.8 . . ?
O8 C82 H82B 109.8 . . ?
C81 C82 H82A 109.8 . . ?
C81 C82 H82B 109.8 . . ?
H82A C82 H82B 108.3 . . ?
C86 O9 C83 106.4(9) . . ?
C86 O9 C83A 106.3(14) . . ?
O9 C83 H83A 110.2 . . ?
O9 C83 H83B 110.2 . . ?
O9 C83 C84 107.4(10) . . ?
H83A C83 H83B 108.5 . . ?
C84 C83 H83A 110.2 . . ?
C84 C83 H83B 110.2 . . ?
O9 C83A H83C 110.0 . . ?
O9 C83A H83D 110.0 . . ?
O9 C83A C84 108.3(14) . . ?
H83C C83A H83D 108.4 . . ?
C84 C83A H83C 110.0 . . ?
C84 C83A H83D 110.0 . . ?
C83 C84 H84A 111.1 . . ?
C83 C84 H84B 111.1 . . ?
C83 C84 C85 103.4(9) . . ?
C83A C84 H84C 111.1 . . ?
C83A C84 H84D 111.1 . . ?
H84A C84 H84B 109.0 . . ?
H84C C84 H84D 109.1 . . ?
C85 C84 C83A 103.1(13) . . ?
C85 C84 H84A 111.1 . . ?
C85 C84 H84B 111.1 . . ?
C85 C84 H84C 111.1 . . ?
C85 C84 H84D 111.1 . . ?
C84 C85 H85A 110.4 . . ?
C84 C85 H85B 110.4 . . ?
C84 C85 C86 106.4(8) . . ?
H85A C85 H85B 108.6 . . ?
C86 C85 H85A 110.4 . . ?
C86 C85 H85B 110.4 . . ?
O9 C86 C85 108.1(8) . . ?
O9 C86 H86A 110.1 . . ?
O9 C86 H86B 110.1 . . ?
C85 C86 H86A 110.1 . . ?
C85 C86 H86B 110.1 . . ?
H86A C86 H86B 108.4 . . ?
C87A O10 C90 109.8(16) . . ?
C90 O10 C87 108.9(16) . . ?
O10 C87A H87A 110.9 . . ?
O10 C87A H87B 110.9 . . ?
O10 C87A C88A 104(2) . . ?
H87A C87A H87B 109.0 . . ?
C88A C87A H87A 110.9 . . ?
C88A C87A H87B 110.9 . . ?
C87A C88A H88A 109.6 . . ?
C87A C88A H88B 109.6 . . ?
H88A C88A H88B 108.1 . . ?
C89 C88A C87A 110(2) . . ?
C89 C88A H88A 109.6 . . ?
C89 C88A H88B 109.6 . . ?
O10 C90 H90A 109.7 . . ?
O10 C90 H90B 109.7 . . ?
O10 C90 C89 109.8(14) . . ?
H90A C90 H90B 108.2 . . ?
C89 C90 H90A 109.7 . . ?
C89 C90 H90B 109.7 . . ?
C88A C89 H89A 111.1 . . ?
C88A C89 H89B 111.1 . . ?
C90 C89 C88A 103.4(18) . . ?
C90 C89 H89A 111.1 . . ?
C90 C89 H89B 111.1 . . ?
C90 C89 H89C 110.9 . . ?
C90 C89 H89D 110.9 . . ?
C90 C89 C88 104.3(18) . . ?
H89A C89 H89B 109.0 . . ?
H89C C89 H89D 108.9 . . ?
C88 C89 H89C 110.9 . . ?
C88 C89 H89D 110.9 . . ?
O10 C87 H87C 110.7 . . ?
O10 C87 H87D 110.7 . . ?
O10 C87 C88 105(2) . . ?
H87C C87 H87D 108.8 . . ?
C88 C87 H87C 110.7 . . ?
C88 C87 H87D 110.7 . . ?
C89 C88 H88C 109.8 . . ?
C89 C88 H88D 109.8 . . ?
C87 C88 C89 110(2) . . ?
C87 C88 H88C 109.8 . . ?
C87 C88 H88D 109.8 . . ?
H88C C88 H88D 108.2 . . ?

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
P1 C2 C3 C4 171.9(5) . . . . ?
P1 C2 C7 C6 -171.5(6) . . . . ?
P1 C8 C9 C10 -179.0(5) . . . . ?
P1 C8 C13 C12 -179.9(6) . . . . ?
P2 C17 C18 C19 -171.1(5) . . . . ?
P2 C17 C22 C21 170.9(5) . . . . ?
P2 C23 C24 C25 -178.3(7) . . . . ?
P2 C23 C28 C27 178.9(6) . . . . ?
P3 C33 C34 C35 -176.5(5) . . . . ?
P3 C33 C38 C37 176.6(5) . . . . ?
P3 C39 C40 C41 166.1(6) . . . . ?
P3 C39 C44 C43 -166.7(6) . . . . ?
P4 C48 C49 C50 -177.8(6) . . . . ?
P4 C48 C53 C52 178.0(7) . . . . ?
P4 C54 C55 C56 -177.7(5) . . . . ?
P4 C54 C59 C58 178.2(5) . . . . ?
N1 P1 C1 Dy1 6.5(3) . . . . ?
N1 P1 C1 P2 143.5(17) . . . . ?
N1 P1 C2 C3 -140.0(5) . . . . ?
N1 P1 C2 C7 35.0(6) . . . . ?
N1 P1 C8 C9 -119.6(6) . . . . ?
N1 P1 C8 C13 61.3(6) . . . . ?
N2 P2 C1 Dy1 -1.7(3) . . . . ?
N2 P2 C1 P1 -138.8(17) . . . . ?
N2 P2 C17 C18 -137.6(5) . . . . ?
N2 P2 C17 C22 50.2(6) . . . . ?
N2 P2 C23 C24 -132.0(6) . . . . ?
N2 P2 C23 C28 49.4(6) . . . . ?
N3 P3 C32 Dy1 3.3(3) . . . . ?
N3 P3 C32 P4 149.3(18) . . . . ?
N3 P3 C33 C34 -62.3(6) . . . . ?
N3 P3 C33 C38 121.6(5) . . . . ?
N3 P3 C39 C40 156.0(5) . . . . ?
N3 P3 C39 C44 -35.2(6) . . . . ?
N4 P4 C32 Dy1 -1.6(3) . . . . ?
N4 P4 C32 P3 -147.6(18) . . . . ?
N4 P4 C48 C49 -54.4(6) . . . . ?
N4 P4 C48 C53 128.1(6) . . . . ?
N4 P4 C54 C55 125.3(5) . . . . ?
N4 P4 C54 C59 -54.3(6) . . . . ?
C1 P1 N1 Dy1 -6.4(3) . . . . ?
C1 P1 N1 Si1 161.8(4) . . . . ?
C1 P1 C2 C3 -20.2(6) . . . . ?
C1 P1 C2 C7 154.7(5) . . . . ?
C1 P1 C8 C9 121.8(6) . . . . ?
C1 P1 C8 C13 -57.3(6) . . . . ?
C1 P2 N2 Dy1 1.7(3) . . . . ?
C1 P2 N2 Si2 175.6(4) . . . . ?
C1 P2 C17 C18 102.7(6) . . . . ?
C1 P2 C17 C22 -69.6(6) . . . . ?
C1 P2 C23 C24 -11.7(7) . . . . ?
C1 P2 C23 C28 169.6(6) . . . . ?
C2 P1 N1 Dy1 117.9(2) . . . . ?
C2 P1 N1 Si1 -73.8(5) . . . . ?
C2 P1 C1 Dy1 -115.9(3) . . . . ?
C2 P1 C1 P2 21.1(18) . . . . ?
C2 P1 C8 C9 -1.2(6) . . . . ?
C2 P1 C8 C13 179.7(5) . . . . ?
C2 C3 C4 C5 0.3(11) . . . . ?
C3 C2 C7 C6 3.5(10) . . . . ?
C3 C4 C5 C6 2.4(11) . . . . ?
C4 C5 C6 C7 -2.1(12) . . . . ?
C5 C6 C7 C2 -0.9(11) . . . . ?
C7 C2 C3 C4 -3.2(10) . . . . ?
C8 P1 N1 Dy1 -128.9(2) . . . . ?
C8 P1 N1 Si1 39.4(5) . . . . ?
C8 P1 C1 Dy1 127.7(3) . . . . ?
C8 P1 C1 P2 -95.3(17) . . . . ?
C8 P1 C2 C3 101.8(5) . . . . ?
C8 P1 C2 C7 -83.2(6) . . . . ?
C8 C9 C10 C11 -1.5(11) . . . . ?
C9 C8 C13 C12 1.0(11) . . . . ?
C9 C10 C11 C12 1.9(11) . . . . ?
C10 C11 C12 C13 -0.9(12) . . . . ?
C11 C12 C13 C8 -0.6(12) . . . . ?
C13 C8 C9 C10 0.1(10) . . . . ?
C14 Si1 N1 Dy1 -96.9(4) . . . . ?
C14 Si1 N1 P1 99.2(5) . . . . ?
C15 Si1 N1 Dy1 142.6(4) . . . . ?
C15 Si1 N1 P1 -21.3(5) . . . . ?
C16 Si1 N1 Dy1 20.8(4) . . . . ?
C16 Si1 N1 P1 -143.1(4) . . . . ?
C17 P2 N2 Dy1 -122.2(2) . . . . ?
C17 P2 N2 Si2 51.6(5) . . . . ?
C17 P2 C1 Dy1 120.5(3) . . . . ?
C17 P2 C1 P1 -16.5(18) . . . . ?
C17 P2 C23 C24 109.6(6) . . . . ?
C17 P2 C23 C28 -69.1(6) . . . . ?
C17 C18 C19 C20 -0.1(11) . . . . ?
C18 C17 C22 C21 -1.6(10) . . . . ?
C18 C19 C20 C21 0.0(11) . . . . ?
C19 C20 C21 C22 -0.7(11) . . . . ?
C20 C21 C22 C17 1.5(11) . . . . ?
C22 C17 C18 C19 0.9(10) . . . . ?
C23 P2 N2 Dy1 125.2(2) . . . . ?
C23 P2 N2 Si2 -60.9(5) . . . . ?
C23 P2 C1 Dy1 -125.7(3) . . . . ?
C23 P2 C1 P1 97.3(17) . . . . ?
C23 P2 C17 C18 -17.7(6) . . . . ?
C23 P2 C17 C22 170.1(5) . . . . ?
C23 C24 C25 C26 -1.0(14) . . . . ?
C24 C23 C28 C27 0.2(11) . . . . ?
C24 C25 C26 C27 0.9(15) . . . . ?
C25 C26 C27 C28 -0.2(15) . . . . ?
C26 C27 C28 C23 -0.3(13) . . . . ?
C28 C23 C24 C25 0.4(11) . . . . ?
C29 Si2 N2 Dy1 140.4(3) . . . . ?
C29 Si2 N2 P2 -31.2(5) . . . . ?
C30 Si2 N2 Dy1 -97.9(4) . . . . ?
C30 Si2 N2 P2 90.5(5) . . . . ?
C31 Si2 N2 Dy1 21.7(5) . . . . ?
C31 Si2 N2 P2 -149.9(4) . . . . ?
C32 P3 N3 Dy1 -3.2(3) . . . . ?
C32 P3 N3 Si3 -178.8(4) . . . . ?
C32 P3 C33 C34 176.7(6) . . . . ?
C32 P3 C33 C38 0.7(6) . . . . ?
C32 P3 C39 C40 -85.3(6) . . . . ?
C32 P3 C39 C44 83.6(6) . . . . ?
C32 P4 N4 Dy1 1.6(3) . . . . ?
C32 P4 N4 Si4 -172.5(4) . . . . ?
C32 P4 C48 C49 63.9(6) . . . . ?
C32 P4 C48 C53 -113.5(6) . . . . ?
C32 P4 C54 C55 4.4(6) . . . . ?
C32 P4 C54 C59 -175.2(5) . . . . ?
C33 P3 N3 Dy1 -127.3(2) . . . . ?
C33 P3 N3 Si3 57.2(5) . . . . ?
C33 P3 C32 Dy1 128.8(2) . . . . ?
C33 P3 C32 P4 -85.2(19) . . . . ?
C33 P3 C39 C40 34.4(6) . . . . ?
C33 P3 C39 C44 -156.7(6) . . . . ?
C33 C34 C35 C36 -1.2(11) . . . . ?
C34 C33 C38 C37 0.3(10) . . . . ?
C34 C35 C36 C37 3.1(12) . . . . ?
C35 C36 C37 C38 -3.2(11) . . . . ?
C36 C37 C38 C33 1.5(11) . . . . ?
C38 C33 C34 C35 -0.5(10) . . . . ?
C39 P3 N3 Dy1 119.2(2) . . . . ?
C39 P3 N3 Si3 -56.3(5) . . . . ?
C39 P3 C32 Dy1 -117.9(3) . . . . ?
C39 P3 C32 P4 28.1(19) . . . . ?
C39 P3 C33 C34 56.6(6) . . . . ?
C39 P3 C33 C38 -119.5(5) . . . . ?
C39 C40 C41 C42 2.4(13) . . . . ?
C40 C39 C44 C43 2.5(11) . . . . ?
C40 C41 C42 C43 -1.8(14) . . . . ?
C41 C42 C43 C44 1.5(14) . . . . ?
C42 C43 C44 C39 -1.9(13) . . . . ?
C44 C39 C40 C41 -2.7(11) . . . . ?
C45 Si3 N3 Dy1 -147.1(4) . . . . ?
C45 Si3 N3 P3 26.8(6) . . . . ?
C46 Si3 N3 Dy1 91.4(5) . . . . ?
C46 Si3 N3 P3 -94.7(5) . . . . ?
C47 Si3 N3 Dy1 -28.3(5) . . . . ?
C47 Si3 N3 P3 145.5(5) . . . . ?
C48 P4 N4 Dy1 123.6(2) . . . . ?
C48 P4 N4 Si4 -50.4(5) . . . . ?
C48 P4 C32 Dy1 -121.9(3) . . . . ?
C48 P4 C32 P3 92.2(19) . . . . ?
C48 P4 C54 C55 -117.2(5) . . . . ?
C48 P4 C54 C59 63.2(6) . . . . ?
C48 C49 C50 C51 -0.1(12) . . . . ?
C49 C48 C53 C52 0.6(12) . . . . ?
C49 C50 C51 C52 -0.2(13) . . . . ?
C50 C51 C52 C53 0.6(14) . . . . ?
C51 C52 C53 C48 -0.8(14) . . . . ?
C53 C48 C49 C50 -0.1(10) . . . . ?
C54 P4 N4 Dy1 -123.4(2) . . . . ?
C54 P4 N4 Si4 62.6(4) . . . . ?
C54 P4 C32 Dy1 122.6(3) . . . . ?
C54 P4 C32 P3 -23(2) . . . . ?
C54 P4 C48 C49 -173.8(5) . . . . ?
C54 P4 C48 C53 8.7(7) . . . . ?
C54 C55 C56 C57 -1.6(10) . . . . ?
C55 C54 C59 C58 -1.4(9) . . . . ?
C55 C56 C57 C58 0.8(10) . . . . ?
C56 C57 C58 C59 -0.4(10) . . . . ?
C57 C58 C59 C54 0.7(10) . . . . ?
C59 C54 C55 C56 1.9(9) . . . . ?
C60 Si4 N4 Dy1 -142.1(3) . . . . ?
C60 Si4 N4 P4 29.5(5) . . . . ?
C61 Si4 N4 Dy1 -24.2(4) . . . . ?
C61 Si4 N4 P4 147.5(4) . . . . ?
C62 Si4 N4 Dy1 95.9(4) . . . . ?
C62 Si4 N4 P4 -92.5(4) . . . . ?
K1 O1 C63 C64 52.6(7) . . . . ?
K1 O1 C74 C73 -55.3(7) . . . . ?
K1 O2 C64 C63 50.1(7) . . . . ?
K1 O2 C65 C66 -50.0(8) . . . . ?
K1 O3 C66 C65 -45.7(8) . . . . ?
K1 O3 C67 C68 51.2(7) . . . . ?
K1 O4 C68 C67 47.4(8) . . . . ?
K1 O4 C69 C70 -49.1(8) . . . . ?
K1 O5 C70 C69 -46.8(7) . . . . ?
K1 O5 C71 C72 38.8(7) . . . . ?
K1 O6 C72 C71 54.5(7) . . . . ?
K1 O6 C73 C74 -43.0(7) . . . . ?
K1 O7 C75 C76 114.9(8) . . . . ?
K1 O7 C78 C77 -111.4(10) . . . . ?
K1 O8 C79 C80 -147.7(7) . . . . ?
K1 O8 C82 C81 136.9(10) . . . . ?
O1 C63 C64 O2 -70.5(8) . . . . ?
O2 C65 C66 O3 64.0(9) . . . . ?
O3 C67 C68 O4 -66.5(8) . . . . ?
O4 C69 C70 O5 64.3(8) . . . . ?
O5 C71 C72 O6 -61.9(8) . . . . ?
O6 C73 C74 O1 65.6(8) . . . . ?
O7 C75 C76 C77 16.6(14) . . . . ?
O8 C79 C80 C81 30.3(13) . . . . ?
C63 O1 C74 C73 179.2(6) . . . . ?
C64 O2 C65 C66 175.2(7) . . . . ?
C65 O2 C64 C63 -174.3(6) . . . . ?
C66 O3 C67 C68 -177.7(6) . . . . ?
C67 O3 C66 C65 -176.5(7) . . . . ?
C68 O4 C69 C70 179.3(7) . . . . ?
C69 O4 C68 C67 178.2(7) . . . . ?
C70 O5 C71 C72 178.2(6) . . . . ?
C71 O5 C70 C69 172.6(6) . . . . ?
C72 O6 C73 C74 -175.4(6) . . . . ?
C73 O6 C72 C71 -170.9(6) . . . . ?
C74 O1 C63 C64 179.4(7) . . . . ?
C75 O7 C78 C77 28.1(13) . . . . ?
C75 C76 C77 C78 0.6(15) . . . . ?
C76 C77 C78 O7 -16.8(15) . . . . ?
C78 O7 C75 C76 -28.2(12) . . . . ?
C79 O8 C82 C81 4.3(15) . . . . ?
C79 C80 C81 C82 -26.9(14) . . . . ?
C80 C81 C82 O8 14.7(16) . . . . ?
C82 O8 C79 C80 -22.1(13) . . . . ?
O9 C83 C84 C85 -28.4(18) . . . . ?
O9 C83A C84 C85 26(3) . . . . ?
C83 O9 C86 C85 -15.4(15) . . . . ?
C83 C84 C85 C86 18.4(17) . . . . ?
C83A O9 C86 C85 19(2) . . . . ?
C83A C84 C85 C86 -14(2) . . . . ?
C84 C85 C86 O9 -2.3(15) . . . . ?
C86 O9 C83 C84 27.7(17) . . . . ?
C86 O9 C83A C84 -28(3) . . . . ?
O10 C87A C88A C89 12(5) . . . . ?
O10 C90 C89 C88A 15(3) . . . . ?
O10 C90 C89 C88 -14(3) . . . . ?
O10 C87 C88 C89 -11(4) . . . . ?
C87A O10 C90 C89 -9(3) . . . . ?
C87A C88A C89 C90 -16(4) . . . . ?
C90 O10 C87A C88A -2(4) . . . . ?
C90 O10 C87 C88 2(4) . . . . ?
C90 C89 C88 C87 15(4) . . . . ?
C87 O10 C90 C89 8(3) . . . . ?

_shelx_SHELXL_version_number     2014/7
loop_
_exptl_crystal_face_index_h
_exptl_crystal_face_index_k
_exptl_crystal_face_index_l
_exptl_crystal_face_perp_dist
_exptl_oxdiff_crystal_face_indexfrac_h
_exptl_oxdiff_crystal_face_indexfrac_k
_exptl_oxdiff_crystal_face_indexfrac_l
_exptl_oxdiff_crystal_face_x
_exptl_oxdiff_crystal_face_y
_exptl_oxdiff_crystal_face_z
3 -3 -12 0.0420 2.9978 -3.0037 -11.9936 0.9012 -0.2315 -0.3598
8 4 2 0.0487 8.0100 4.0081 1.9719 -0.0526 -0.6701 0.7112
-3 8 -9 0.0624 -2.9899 7.9993 -8.9881 0.5947 0.6169 0.5467
-6 -4 -8 0.0800 -6.0087 -4.0088 -7.9713 0.5068 0.5495 -0.7257
-6 4 9 0.0462 -5.9980 4.0012 9.0046 -0.7245 0.5800 0.3060
-8 5 -5 0.0494 -7.9971 4.9957 -4.9757 0.2523 0.9607 0.1291
9 -2 -5 0.0410 9.0023 -1.9968 -5.0189 0.4711 -0.8547 0.0569
7 -6 5 0.0322 6.9951 -5.9969 4.9793 -0.2628 -0.8941 -0.2635
3 9 -1 0.0413 3.0145 9.0065 -1.0145 0.0930 -0.0178 0.9778
-5 -7 9 0.0487 -5.0131 -7.0040 9.0102 -0.6938 0.1722 -0.7380
-3 2 12 0.0493 -2.9993 2.0032 11.9944 -0.8995 0.2031 0.2616
6 -4 -9 0.0462 5.9980 -4.0012 -9.0046 0.7245 -0.5800 -0.3060
5 1 11 0.0514 5.0038 1.0076 10.9733 -0.7288 -0.5744 0.4384

_olex2_exptl_crystal_mounting_method 'in fomblin film on a micromount'
_olex2_submission_special_instructions 'No special instructions were received'
