#------------------------------------------------------------------------------
#$Date: 2016-03-21 07:24:34 +0200 (Mon, 21 Mar 2016) $
#$Revision: 178563 $
#$URL: svn://www.crystallography.net/cod/cif/4/06/72/4067228.cif $
#------------------------------------------------------------------------------
#
# This file is available in the Crystallography Open Database (COD),
# http://www.crystallography.net/
#
# All data on this site have been placed in the public domain by the
# contributors.
#
data_4067228
loop_
_publ_author_name
'Sarazin, Yann'
'Roşca, Dragoş'
'Poirier, Valentin'
'Roisnel, Thierry'
'Silvestru, Anca'
'Maron, Laurent'
'Carpentier, Jean-François'
_publ_section_title
;
 Bis(dimethylsilyl)amide Complexes of the Alkaline-Earth Metals Stabilized
 by β-Si−H Agostic Interactions: Synthesis, Characterization, and
 Catalytic Activity
;
_journal_issue                   23
_journal_name_full               Organometallics
_journal_page_first              6569
_journal_paper_doi               10.1021/om100908q
_journal_volume                  29
_journal_year                    2010
_chemical_compound_source        'synthesis as described'
_chemical_formula_moiety         'C58 H112 K4 N4 O10 Si4, C6  H6'
_chemical_formula_sum            'C64 H118 K4 N4 O10 Si4'
_chemical_formula_weight         1372.38
_chemical_name_systematic
;
 ?
;
_space_group_IT_number           2
_symmetry_cell_setting           triclinic
_symmetry_Int_Tables_number      2
_symmetry_space_group_name_Hall  '-P 1'
_symmetry_space_group_name_H-M   'P -1'
_atom_sites_solution_hydrogens   geom
_atom_sites_solution_primary     direct
_atom_sites_solution_secondary   difmap
_audit_conform_dict_location     ftp://ftp.iucr.org/pub/cif_core.dic
_audit_conform_dict_name         cif_core.dic
_audit_conform_dict_version      2.3
_audit_creation_date             2010-05-12T18:22:49-00:00
_audit_creation_method           'WinGX routine CIF_UPDATE'
_cell_angle_alpha                107.9280(10)
_cell_angle_beta                 102.538(2)
_cell_angle_gamma                107.5100(10)
_cell_formula_units_Z            1
_cell_length_a                   9.4506(3)
_cell_length_b                   14.7067(4)
_cell_length_c                   16.7604(6)
_cell_measurement_reflns_used    9438
_cell_measurement_temperature    150(2)
_cell_measurement_theta_max      27.42
_cell_measurement_theta_min      2.32
_cell_measurement_wavelength     0.71073
_cell_volume                     1986.74(12)
_computing_cell_refinement       'Bruker SMART (Bruker, 2002)'
_computing_data_collection       'Bruker SAINT (Bruker, 2002)'
_computing_data_reduction        'Bruker SAINT (Bruker, 2002)'
_computing_molecular_graphics    'Ortep-3 for Windows (Farrugia, 1997)'
_computing_publication_material
;
           WinGX publication routines (Farrugia, 1999),
           CRYSCAL (T. Roisnel, local program)
;
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 1997)'
_computing_structure_solution    'SIR97 (Altomare et al., 1999))'
_diffrn_ambient_temperature      150(2)
_diffrn_detector                 'CCD plate'
_diffrn_measured_fraction_theta_full 0.986
_diffrn_measured_fraction_theta_max 0.986
_diffrn_measurement_device_type  'APEXII, Bruker-AXS'
_diffrn_measurement_method       'CCD rotation images, thin slices'
_diffrn_radiation_monochromator  graphite
_diffrn_radiation_probe          x-ray
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_reflns_av_R_equivalents  0.0318
_diffrn_reflns_av_unetI/netI     0.0248
_diffrn_reflns_limit_h_max       12
_diffrn_reflns_limit_h_min       -12
_diffrn_reflns_limit_k_max       19
_diffrn_reflns_limit_k_min       -19
_diffrn_reflns_limit_l_max       21
_diffrn_reflns_limit_l_min       -21
_diffrn_reflns_number            33195
_diffrn_reflns_theta_full        27.43
_diffrn_reflns_theta_max         27.43
_diffrn_reflns_theta_min         2.95
_exptl_absorpt_coefficient_mu    0.335
_exptl_absorpt_correction_T_max  0.957
_exptl_absorpt_correction_T_min  0.839
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details
;
  [Sheldrick, G.M. (2002). SADABS Bruker AXS Inc., Madison, Wisconsin, USA]
;
_exptl_crystal_colour            colourless
_exptl_crystal_density_diffrn    1.147
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       prism
_exptl_crystal_F_000             742
_exptl_crystal_size_max          0.37
_exptl_crystal_size_mid          0.17
_exptl_crystal_size_min          0.13
_refine_diff_density_max         0.88
_refine_diff_density_min         -0.739
_refine_diff_density_rms         0.049
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.034
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     416
_refine_ls_number_reflns         8928
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      1.034
_refine_ls_R_factor_all          0.0486
_refine_ls_R_factor_gt           0.0419
_refine_ls_shift/su_max          0.005
_refine_ls_shift/su_mean         0
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'calc w=1/[σ²(Fo²)+(0.0589P)²+1.0583P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.116
_refine_ls_wR_factor_ref         0.1221
_reflns_number_gt                7751
_reflns_number_total             8928
_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            om100908q_si_001.cif
_cod_data_source_block           job_complex8
_cod_original_cell_volume        1986.74(11)
_cod_database_code               4067228
loop_
_symmetry_equiv_pos_as_xyz
'x, y, z'
'-x, -y, -z'
loop_
_atom_site_label
_atom_site_type_symbol
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_U_iso_or_equiv
_atom_site_adp_type
_atom_site_occupancy
_atom_site_symmetry_multiplicity
_atom_site_calc_flag
_atom_site_refinement_flags
_atom_site_disorder_assembly
_atom_site_disorder_group
K1 K 0.43198(4) 0.14861(3) 0.77929(2) 0.03287(10) Uani 1 1 d . . .
Si2 Si 0.27255(8) -0.13465(4) 0.61946(4) 0.05343(18) Uani 1 1 d . B .
HI2 H 0.3102 -0.085 0.5917 0.064 Uiso 1 1 calc R . .
N1 N 0.77341(16) 0.21446(10) 0.87388(9) 0.0304(3) Uani 1 1 d . B .
C2 C 0.8655(2) 0.32776(13) 0.91941(13) 0.0378(4) Uani 1 1 d . . .
H2A H 0.9097 0.3526 0.878 0.045 Uiso 1 1 calc R B .
H2B H 0.9551 0.342 0.9713 0.045 Uiso 1 1 calc R . .
C3 C 0.7711(2) 0.38881(13) 0.95128(13) 0.0384(4) Uani 1 1 d . B .
H3A H 0.7231 0.3634 0.9913 0.046 Uiso 1 1 calc R . .
H3B H 0.8413 0.4634 0.9852 0.046 Uiso 1 1 calc R . .
O4 O 0.65067(17) 0.37668(10) 0.87643(10) 0.0452(3) Uani 1 1 d . B .
C5 C 0.5588(3) 0.43294(17) 0.90312(19) 0.0632(7) Uani 1 1 d . . .
H5A H 0.6278 0.5074 0.9389 0.076 Uiso 1 1 calc R B .
H5B H 0.5049 0.4058 0.9404 0.076 Uiso 1 1 calc R . .
C6 C 0.4394(3) 0.42126(18) 0.8216(2) 0.0787(9) Uani 1 1 d . B .
H6A H 0.3846 0.4681 0.8386 0.094 Uiso 1 1 calc R . .
H6B H 0.4923 0.4403 0.7807 0.094 Uiso 1 1 calc R . .
O7 O 0.3280(2) 0.31557(12) 0.77821(13) 0.0621(4) Uani 1 1 d . B .
C8 C 0.2333(3) 0.2899(2) 0.6892(2) 0.0734(8) Uani 1 1 d . . .
H8A H 0.1984 0.3468 0.6883 0.088 Uiso 1 1 calc R B .
H8B H 0.138 0.2258 0.6699 0.088 Uiso 1 1 calc R . .
C9 C 0.3197(5) 0.2737(3) 0.6258(3) 0.0958(11) Uani 1 1 d . B .
H9A H 0.2442 0.2412 0.5639 0.115 Uiso 1 1 calc R A 1
H9B H 0.3968 0.3419 0.6345 0.115 Uiso 1 1 calc R A 1
O10A O 0.3965(4) 0.2120(3) 0.6378(2) 0.0531(6) Uani 0.5 1 d P B 1
C11A C 0.5180(7) 0.2193(4) 0.5991(3) 0.0624(9) Uani 0.5 1 d P B 1
H11A H 0.6111 0.2853 0.6365 0.075 Uiso 0.5 1 calc PR B 1
H11B H 0.4797 0.2185 0.5389 0.075 Uiso 0.5 1 calc PR B 1
C12A C 0.5609(7) 0.1319(4) 0.5932(3) 0.0576(9) Uani 0.5 1 d P B 1
H12A H 0.4666 0.0657 0.5601 0.069 Uiso 0.5 1 calc PR B 1
H12B H 0.6386 0.1313 0.5621 0.069 Uiso 0.5 1 calc PR B 1
O10B O 0.3241(4) 0.1646(3) 0.6111(2) 0.0531(6) Uani 0.5 1 d P B 2
C11B C 0.4136(6) 0.1362(4) 0.5566(3) 0.0624(9) Uani 0.5 1 d P B 2
H11C H 0.3884 0.1546 0.5048 0.075 Uiso 0.5 1 calc PR B 2
H11D H 0.3814 0.0598 0.5336 0.075 Uiso 0.5 1 calc PR B 2
C12B C 0.5904(8) 0.1885(5) 0.6053(3) 0.0576(9) Uani 0.5 1 d P B 2
H12C H 0.6245 0.2649 0.6335 0.069 Uiso 0.5 1 calc PR B 2
H12D H 0.6475 0.1723 0.5634 0.069 Uiso 0.5 1 calc PR B 2
O13 O 0.62420(19) 0.14404(14) 0.67803(9) 0.0600(4) Uani 1 1 d . B .
C14 C 0.7879(2) 0.19264(16) 0.72202(14) 0.0466(5) Uani 1 1 d . . .
H14A H 0.8229 0.2689 0.7409 0.056 Uiso 1 1 calc R B .
H14B H 0.8423 0.1678 0.6811 0.056 Uiso 1 1 calc R . .
C15 C 0.8298(2) 0.16759(16) 0.80251(13) 0.0427(4) Uani 1 1 d . B .
H15A H 0.7845 0.0911 0.7832 0.051 Uiso 1 1 calc R . .
H15B H 0.946 0.1921 0.8272 0.051 Uiso 1 1 calc R . .
N21 N 0.20261(19) -0.07891(13) 0.69459(10) 0.0405(3) Uani 1 1 d . B .
Si1A Si 0.04816(13) -0.03435(9) 0.70510(8) 0.03483(16) Uani 0.456(1) 1 d P B 1
HI1A H 0.122 0.0351 0.7532 0.042 Uiso 0.456(1) 1 calc PR B 1
C22A C -0.0182(7) 0.0111(5) 0.6463(4) 0.0716(10) Uani 0.456(1) 1 d P B 1
H22A H 0.0515 0.0286 0.6129 0.107 Uiso 0.456(1) 1 calc PR B 1
H22B H -0.027 0.0742 0.6827 0.107 Uiso 0.456(1) 1 calc PR B 1
H22C H -0.123 -0.0395 0.6045 0.107 Uiso 0.456(1) 1 calc PR B 1
C23A C -0.0373(3) -0.0801(2) 0.78150(18) 0.0607(6) Uani 0.456(1) 1 d P B 1
H23A H 0.0402 -0.0439 0.8421 0.091 Uiso 0.456(1) 1 calc PR B 1
H23B H -0.0655 -0.1552 0.762 0.091 Uiso 0.456(1) 1 calc PR B 1
H23C H -0.1321 -0.0656 0.7811 0.091 Uiso 0.456(1) 1 calc PR B 1
Si1B Si 0.02073(11) -0.09506(8) 0.67499(6) 0.03483(16) Uani 0.544(1) 1 d P B 2
HI1B H -0.0242 -0.1729 0.6479 0.042 Uiso 0.544(1) 1 calc PR B 2
C22B C -0.1203(6) -0.0811(4) 0.6012(4) 0.0716(10) Uani 0.544(1) 1 d P B 2
H22D H -0.0955 -0.0882 0.5463 0.107 Uiso 0.544(1) 1 calc PR B 2
H22E H -0.1219 -0.0122 0.6281 0.107 Uiso 0.544(1) 1 calc PR B 2
H22F H -0.2241 -0.1349 0.5871 0.107 Uiso 0.544(1) 1 calc PR B 2
C23B C -0.0373(3) -0.0801(2) 0.78150(18) 0.0607(6) Uani 0.544(1) 1 d P B 2
H23D H -0.0294 -0.1358 0.8002 0.091 Uiso 0.544(1) 1 calc PR B 2
H23E H -0.146 -0.0845 0.7684 0.091 Uiso 0.544(1) 1 calc PR B 2
H23F H 0.0342 -0.0125 0.8295 0.091 Uiso 0.544(1) 1 calc PR B 2
C24 C 0.1333(4) -0.2637(2) 0.52589(17) 0.0886(10) Uani 1 1 d . . .
H24A H 0.0395 -0.2565 0.4946 0.133 Uiso 1 1 calc R B .
H24B H 0.1016 -0.316 0.5505 0.133 Uiso 1 1 calc R . .
H24C H 0.1864 -0.2857 0.484 0.133 Uiso 1 1 calc R . .
C25 C 0.4469(3) -0.1570(2) 0.6738(2) 0.0794(9) Uani 1 1 d . . .
H25A H 0.5237 -0.0921 0.7234 0.119 Uiso 1 1 calc R B .
H25B H 0.4962 -0.1799 0.63 0.119 Uiso 1 1 calc R . .
H25C H 0.4121 -0.2108 0.6965 0.119 Uiso 1 1 calc R . .
K2 K 0.32119(4) -0.09240(3) 0.84965(2) 0.03128(10) Uani 1 1 d . . .
C41 C 0.78385(19) 0.16210(12) 0.93680(11) 0.0297(3) Uani 1 1 d . . .
H41A H 0.8939 0.1688 0.9595 0.036 Uiso 1 1 calc R B .
H41B H 0.7158 0.087 0.904 0.036 Uiso 1 1 calc R . .
C42 C 0.26528(18) -0.20607(11) 0.98504(10) 0.0260(3) Uani 1 1 d . . .
C43 C 0.15178(18) -0.27892(12) 0.90374(11) 0.0291(3) Uani 1 1 d . B .
H43 H 0.0437 -0.2937 0.8965 0.035 Uiso 1 1 calc R . .
C44 C 0.19010(19) -0.33122(12) 0.83225(11) 0.0294(3) Uani 1 1 d . . .
C45 C 0.0611(2) -0.41682(13) 0.74578(12) 0.0373(4) Uani 1 1 d . B .
C46A C -0.0576(3) -0.3764(2) 0.70953(18) 0.0542(7) Uani 0.814(2) 1 d P B 1
H46A H -0.0033 -0.3162 0.6981 0.081 Uiso 0.814(2) 1 calc PR B 1
H46B H -0.1081 -0.3558 0.7533 0.081 Uiso 0.814(2) 1 calc PR B 1
H46C H -0.1381 -0.4314 0.6538 0.081 Uiso 0.814(2) 1 calc PR B 1
C47A C 0.1320(3) -0.45261(19) 0.67174(16) 0.0479(6) Uani 0.814(2) 1 d P B 1
H47A H 0.1827 -0.3935 0.6579 0.072 Uiso 0.814(2) 1 calc PR B 1
H47B H 0.0474 -0.5082 0.6179 0.072 Uiso 0.814(2) 1 calc PR B 1
H47C H 0.2104 -0.4786 0.6929 0.072 Uiso 0.814(2) 1 calc PR B 1
C48A C -0.0161(4) -0.5105(2) 0.76464(19) 0.0590(8) Uani 0.814(2) 1 d P B 1
H48A H 0.0641 -0.5341 0.7878 0.089 Uiso 0.814(2) 1 calc PR B 1
H48B H -0.0961 -0.5666 0.7094 0.089 Uiso 0.814(2) 1 calc PR B 1
H48C H -0.0662 -0.4912 0.809 0.089 Uiso 0.814(2) 1 calc PR B 1
C46B C 0.0597(14) -0.3913(10) 0.6678(7) 0.0542(7) Uani 0.186(2) 1 d P B 2
H46D H -0.0247 -0.4484 0.6149 0.081 Uiso 0.186(2) 1 calc PR B 2
H46E H 0.1616 -0.3812 0.659 0.081 Uiso 0.186(2) 1 calc PR B 2
H46F H 0.0413 -0.3273 0.6775 0.081 Uiso 0.186(2) 1 calc PR B 2
C47B C 0.0690(15) -0.5218(8) 0.7341(7) 0.0479(6) Uani 0.186(2) 1 d P B 2
H47D H 0.0688 -0.5334 0.7886 0.072 Uiso 0.186(2) 1 calc PR B 2
H47E H 0.166 -0.5225 0.7225 0.072 Uiso 0.186(2) 1 calc PR B 2
H47F H -0.0227 -0.577 0.6838 0.072 Uiso 0.186(2) 1 calc PR B 2
C48B C -0.1223(15) -0.4349(9) 0.7484(8) 0.0590(8) Uani 0.186(2) 1 d P B 2
H48D H -0.1342 -0.4525 0.7991 0.089 Uiso 0.186(2) 1 calc PR B 2
H48E H -0.2 -0.4918 0.6929 0.089 Uiso 0.186(2) 1 calc PR B 2
H48F H -0.1394 -0.3709 0.7549 0.089 Uiso 0.186(2) 1 calc PR B 2
C49 C 0.35142(19) -0.30565(12) 0.84679(11) 0.0286(3) Uani 1 1 d . B .
H49 H 0.3809 -0.3417 0.8 0.034 Uiso 1 1 calc R . .
C50 C 0.47190(18) -0.23056(11) 0.92572(10) 0.0257(3) Uani 1 1 d . . .
C51 C 0.64655(19) -0.20656(13) 0.93593(12) 0.0322(3) Uani 1 1 d . B .
C52 C 0.6681(2) -0.27615(15) 0.85372(14) 0.0451(5) Uani 1 1 d . . .
H52A H 0.6169 -0.2673 0.8008 0.068 Uiso 1 1 calc R B .
H52B H 0.6203 -0.3491 0.8451 0.068 Uiso 1 1 calc R . .
H52C H 0.781 -0.2564 0.8629 0.068 Uiso 1 1 calc R . .
C53 C 0.7280(2) -0.22362(19) 1.01670(15) 0.0488(5) Uani 1 1 d . . .
H53A H 0.8391 -0.2082 1.0227 0.073 Uiso 1 1 calc R B .
H53B H 0.6755 -0.2962 1.008 0.073 Uiso 1 1 calc R . .
H53C H 0.7214 -0.1774 1.0709 0.073 Uiso 1 1 calc R . .
C54 C 0.7287(2) -0.09347(14) 0.94733(14) 0.0422(4) Uani 1 1 d . . .
H54A H 0.6756 -0.0838 0.8954 0.063 Uiso 1 1 calc R B .
H54B H 0.8394 -0.0786 0.9526 0.063 Uiso 1 1 calc R . .
H54C H 0.7236 -0.046 1.0013 0.063 Uiso 1 1 calc R . .
C55 C 0.43087(17) -0.17634(11) 0.99871(10) 0.0241(3) Uani 1 1 d . . .
O56 O 0.53487(13) -0.10463(8) 1.07404(7) 0.0289(2) Uani 1 1 d . . .
C61 C 0.5549(4) 0.4423(2) 0.4438(2) 0.0776(8) Uani 1 1 d . . .
H61 H 0.5929 0.4019 0.4047 0.093 Uiso 1 1 calc R . .
C62 C 0.6426(3) 0.5469(2) 0.4920(2) 0.0702(7) Uani 1 1 d . . .
H62 H 0.7411 0.5794 0.4863 0.084 Uiso 1 1 calc R . .
C63 C 0.5865(4) 0.6036(2) 0.5481(2) 0.0787(8) Uani 1 1 d . . .
H63 H 0.6468 0.676 0.5818 0.094 Uiso 1 1 calc R . .
loop_
_atom_type_symbol
_atom_type_description
_atom_type_scat_dispersion_real
_atom_type_scat_dispersion_imag
_atom_type_scat_source
C C 0.0033 0.0016 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
H H 0 0 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
N N 0.0061 0.0033 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
O O 0.0106 0.006 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Si Si 0.0817 0.0704 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
K K 0.2009 0.2494 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
loop_
_geom_angle_atom_site_label_1
_geom_angle_atom_site_label_2
_geom_angle_atom_site_label_3
_geom_angle
_geom_angle_site_symmetry_1
_geom_angle_site_symmetry_3
O56 K1 O13 125.77(5) 2_657 .
O56 K1 O10A 174.45(8) 2_657 .
O13 K1 O10A 57.78(9) . .
O56 K1 O10B 167.20(8) 2_657 .
O13 K1 O10B 63.25(9) . .
O10A K1 O10B 14.77(7) . .
O56 K1 O7 118.01(5) 2_657 .
O13 K1 O7 107.15(6) . .
O10A K1 O7 56.62(9) . .
O10B K1 O7 61.75(9) . .
O56 K1 N1 71.34(4) 2_657 .
O13 K1 N1 62.64(4) . .
O10A K1 N1 109.12(8) . .
O10B K1 N1 120.95(8) . .
O7 K1 N1 115.81(4) . .
O56 K1 O4 96.03(4) 2_657 .
O13 K1 O4 83.92(5) . .
O10A K1 O4 79.83(8) . .
O10B K1 O4 93.98(7) . .
O7 K1 O4 57.13(4) . .
N1 K1 O4 58.76(4) . .
O56 K1 N21 80.29(4) 2_657 .
O13 K1 N21 100.58(5) . .
O10A K1 N21 103.65(8) . .
O10B K1 N21 89.27(7) . .
O7 K1 N21 122.05(5) . .
N1 K1 N21 122.11(4) . .
O4 K1 N21 175.31(4) . .
O56 K1 Si1A 84.48(3) 2_657 .
O13 K1 Si1A 122.94(4) . .
O10A K1 Si1A 96.88(8) . .
O10B K1 Si1A 82.76(7) . .
O7 K1 Si1A 92.78(4) . .
N1 K1 Si1A 148.72(3) . .
O4 K1 Si1A 146.20(4) . .
N21 K1 Si1A 31.03(4) . .
O56 K1 C55 19.03(3) 2_657 2_657
O13 K1 C55 120.44(4) . 2_657
O10A K1 C55 156.92(8) . 2_657
O10B K1 C55 169.49(8) . 2_657
O7 K1 C55 108.17(5) . 2_657
N1 K1 C55 59.20(4) . 2_657
O4 K1 C55 77.14(4) . 2_657
N21 K1 C55 99.27(4) . 2_657
Si1A K1 C55 101.41(3) . 2_657
O56 K1 Si2 93.68(3) 2_657 .
O13 K1 Si2 75.51(4) . .
O10A K1 Si2 91.43(7) . .
O10B K1 Si2 79.48(7) . .
O7 K1 Si2 132.04(4) . .
N1 K1 Si2 107.74(3) . .
O4 K1 Si2 159.23(3) . .
N21 K1 Si2 25.12(3) . .
Si1A K1 Si2 53.10(2) . .
C55 K1 Si2 110.79(3) 2_657 .
O56 K1 K2 39.05(2) 2_657 .
O13 K1 K2 113.85(4) . .
O10A K1 K2 145.51(7) . .
O10B K1 K2 131.52(7) . .
O7 K1 K2 138.03(4) . .
N1 K1 K2 91.37(3) . .
O4 K1 K2 134.49(3) . .
N21 K1 K2 42.35(3) . .
Si1A K1 K2 57.62(2) . .
C55 K1 K2 57.56(2) 2_657 .
Si2 K1 K2 55.254(11) . .
N21 Si2 C25 110.86(10) . .
N21 Si2 C24 117.56(13) . .
C25 Si2 C24 105.88(15) . .
C25 Si2 K2 67.89(9) . .
C24 Si2 K2 120.99(10) . .
N21 Si2 K1 51.31(6) . .
C25 Si2 K1 94.17(8) . .
C24 Si2 K1 159.91(12) . .
K2 Si2 K1 65.125(11) . .
N21 Si2 HI2 107.4 . .
C25 Si2 HI2 107.4 . .
C24 Si2 HI2 107.4 . .
K2 Si2 HI2 131.1 . .
K1 Si2 HI2 66.8 . .
C2 N1 C15 110.75(13) . .
C2 N1 C41 111.84(14) . .
C15 N1 C41 108.31(13) . .
C2 N1 K1 115.51(10) . .
C15 N1 K1 103.42(11) . .
C41 N1 K1 106.46(9) . .
N1 C2 C3 113.90(14) . .
N1 C2 H2A 108.8 . .
C3 C2 H2A 108.8 . .
N1 C2 H2B 108.8 . .
C3 C2 H2B 108.8 . .
H2A C2 H2B 107.7 . .
O4 C3 C2 109.30(15) . .
O4 C3 H3A 109.8 . .
C2 C3 H3A 109.8 . .
O4 C3 H3B 109.8 . .
C2 C3 H3B 109.8 . .
H3A C3 H3B 108.3 . .
C5 O4 C3 111.35(16) . .
C5 O4 K1 107.62(12) . .
C3 O4 K1 108.74(9) . .
O4 C5 C6 108.9(2) . .
O4 C5 H5A 109.9 . .
C6 C5 H5A 109.9 . .
O4 C5 H5B 109.9 . .
C6 C5 H5B 109.9 . .
H5A C5 H5B 108.3 . .
O7 C6 C5 108.67(19) . .
O7 C6 H6A 110 . .
C5 C6 H6A 110 . .
O7 C6 H6B 110 . .
C5 C6 H6B 110 . .
H6A C6 H6B 108.3 . .
C8 O7 C6 112.9(2) . .
C8 O7 K1 108.73(13) . .
C6 O7 K1 119.86(13) . .
O7 C8 C9 112.2(2) . .
O7 C8 H8A 109.2 . .
C9 C8 H8A 109.2 . .
O7 C8 H8B 109.2 . .
C9 C8 H8B 109.2 . .
H8A C8 H8B 107.9 . .
O10A C9 C8 111.0(3) . .
C8 C9 O10B 104.7(3) . .
O10A C9 H9A 109.4 . .
C8 C9 H9A 109.4 . .
O10B C9 H9A 87.1 . .
O10A C9 H9B 109.4 . .
C8 C9 H9B 109.4 . .
O10B C9 H9B 134.7 . .
H9A C9 H9B 108 . .
C9 O10A C11A 113.1(4) . .
C9 O10A K1 125.4(3) . .
C11A O10A K1 116.0(3) . .
O10A C11A C12A 108.4(4) . .
O10A C11A H11A 110 . .
C12A C11A H11A 110 . .
O10A C11A H11B 110 . .
C12A C11A H11B 110 . .
H11A C11A H11B 108.4 . .
O13 C12A C11A 106.1(4) . .
O13 C12A H12A 110.5 . .
C11A C12A H12A 110.5 . .
O13 C12A H12B 110.5 . .
C11A C12A H12B 110.5 . .
H12A C12A H12B 108.7 . .
C11B O10B C9 114.2(3) . .
C11B O10B K1 110.5(3) . .
C9 O10B K1 111.1(2) . .
O10B C11B C12B 113.6(4) . .
O10B C11B H11C 108.9 . .
C12B C11B H11C 108.9 . .
O10B C11B H11D 108.9 . .
C12B C11B H11D 108.9 . .
H11C C11B H11D 107.7 . .
C11B C12B O13 106.0(4) . .
C11B C12B H12C 110.5 . .
O13 C12B H12C 110.5 . .
C11B C12B H12D 110.5 . .
O13 C12B H12D 110.5 . .
H12C C12B H12D 108.7 . .
C12A O13 C14 120.6(3) . .
C14 O13 C12B 105.3(3) . .
C12A O13 K1 116.3(3) . .
C14 O13 K1 118.26(11) . .
C12B O13 K1 114.1(3) . .
O13 C14 C15 109.36(16) . .
O13 C14 H14A 109.8 . .
C15 C14 H14A 109.8 . .
O13 C14 H14B 109.8 . .
C15 C14 H14B 109.8 . .
H14A C14 H14B 108.2 . .
N1 C15 C14 114.13(15) . .
N1 C15 H15A 108.7 . .
C14 C15 H15A 108.7 . .
N1 C15 H15B 108.7 . .
C14 C15 H15B 108.7 . .
H15A C15 H15B 107.6 . .
Si1B N21 Si2 124.36(10) . .
Si2 N21 Si1A 142.04(10) . .
Si1B N21 K2 110.82(8) . .
Si2 N21 K2 110.23(8) . .
Si1A N21 K2 106.26(7) . .
Si1B N21 K1 113.80(9) . .
Si2 N21 K1 103.57(7) . .
Si1A N21 K1 87.69(7) . .
K2 N21 K1 87.92(4) . .
C22A Si1A N21 123.6(3) . .
C22A Si1A C23A 126.7(3) . .
N21 Si1A C23A 108.39(11) . .
C22A Si1A K1 94.7(3) . .
N21 Si1A K1 61.28(6) . .
C23A Si1A K1 121.60(10) . .
C22A Si1A K2 162.6(3) . .
N21 Si1A K2 45.43(5) . .
C23A Si1A K2 68.45(8) . .
K1 Si1A K2 68.39(2) . .
C22A Si1A HI1A 93.7 . .
N21 Si1A HI1A 93.7 . .
C23A Si1A HI1A 93.7 . .
K2 Si1A HI1A 75.6 . .
Si1A C22A H22A 109.5 . .
Si1A C22A H22B 109.5 . .
H22A C22A H22B 109.5 . .
Si1A C22A H22C 109.5 . .
H22A C22A H22C 109.5 . .
H22B C22A H22C 109.5 . .
N21 Si1B C22B 137.4(2) . .
C22B Si1B K2 172.6(2) . .
N21 Si1B HI1B 96.4 . .
C22B Si1B HI1B 96.4 . .
K2 Si1B HI1B 90.2 . .
Si1B C22B H22D 109.5 . .
Si1B C22B H22E 109.5 . .
H22D C22B H22E 109.5 . .
Si1B C22B H22F 109.5 . .
H22D C22B H22F 109.5 . .
H22E C22B H22F 109.5 . .
Si2 C24 H24A 109.5 . .
Si2 C24 H24B 109.5 . .
H24A C24 H24B 109.5 . .
Si2 C24 H24C 109.5 . .
H24A C24 H24C 109.5 . .
H24B C24 H24C 109.5 . .
Si2 C25 H25A 109.5 . .
Si2 C25 H25B 109.5 . .
H25A C25 H25B 109.5 . .
Si2 C25 H25C 109.5 . .
H25A C25 H25C 109.5 . .
H25B C25 H25C 109.5 . .
O56 K2 N21 90.50(4) 2_657 .
O56 K2 C50 118.00(4) 2_657 .
N21 K2 C50 140.51(5) . .
O56 K2 C49 142.64(4) 2_657 .
N21 K2 C49 119.37(5) . .
C50 K2 C49 25.11(4) . .
O56 K2 C55 105.12(4) 2_657 .
N21 K2 C55 163.82(5) . .
C50 K2 C55 25.86(4) . .
C49 K2 C55 44.66(4) . .
O56 K2 C43 136.91(4) 2_657 .
N21 K2 C43 124.08(5) . .
C50 K2 C43 51.56(4) . .
C49 K2 C43 43.14(4) . .
C55 K2 C43 44.90(4) . .
O56 K2 C42 114.34(4) 2_657 .
N21 K2 C42 147.78(5) . .
C50 K2 C42 44.46(4) . .
C49 K2 C42 50.53(4) . .
C55 K2 C42 25.65(4) . .
C43 K2 C42 24.77(4) . .
O56 K2 C44 157.68(4) 2_657 .
N21 K2 C44 111.64(5) . .
C50 K2 C44 45.04(4) . .
C49 K2 C44 25.01(4) . .
C55 K2 C44 53.09(4) . .
C43 K2 C44 24.88(4) . .
C42 K2 C44 44.19(4) . .
O56 K2 Si1B 95.97(3) 2_657 .
N21 K2 Si1B 24.72(4) . .
C50 K2 Si1B 145.78(3) . .
C49 K2 Si1B 120.68(4) . .
C55 K2 Si1B 151.17(3) . .
C43 K2 Si1B 106.45(3) . .
C42 K2 Si1B 126.45(3) . .
C44 K2 Si1B 103.09(3) . .
O56 K2 Si2 100.98(3) 2_657 .
N21 K2 Si2 25.48(4) . .
C50 K2 Si2 116.45(3) . .
C49 K2 Si2 99.28(3) . .
C55 K2 Si2 142.14(3) . .
C43 K2 Si2 121.34(3) . .
C42 K2 Si2 144.61(3) . .
C44 K2 Si2 100.47(3) . .
Si1B K2 Si2 47.23(2) . .
O56 K2 Si1A 83.64(3) 2_657 .
N21 K2 Si1A 28.31(4) . .
C50 K2 Si1A 158.34(4) . .
C49 K2 Si1A 133.32(4) . .
C55 K2 Si1A 155.60(3) . .
C43 K2 Si1A 113.91(3) . .
C42 K2 Si1A 130.04(3) . .
C44 K2 Si1A 114.39(4) . .
Si1B K2 Si1A 12.78(2) . .
Si2 K2 Si1A 53.54(2) . .
O56 K2 K1 42.07(3) 2_657 .
N21 K2 K1 49.74(4) . .
C50 K2 K1 142.28(3) . .
C49 K2 K1 149.54(3) . .
C55 K2 K1 144.19(3) . .
C43 K2 K1 165.87(3) . .
C42 K2 K1 155.55(3) . .
C44 K2 K1 160.02(3) . .
Si1B K2 K1 63.025(17) . .
Si2 K2 K1 59.621(12) . .
Si1A K2 K1 53.98(2) . .
N1 C41 C42 113.36(12) . 2_657
N1 C41 H41A 108.9 . .
C42 C41 H41A 108.9 2_657 .
N1 C41 H41B 108.9 . .
C42 C41 H41B 108.9 2_657 .
H41A C41 H41B 107.7 . .
C43 C42 C55 121.35(14) . .
C43 C42 C41 120.08(14) . 2_657
C55 C42 C41 118.42(14) . 2_657
C43 C42 K2 76.87(9) . .
C55 C42 K2 76.20(8) . .
C41 C42 K2 122.17(9) 2_657 .
C42 C43 C44 122.70(14) . .
C42 C43 K2 78.36(9) . .
C44 C43 K2 78.32(9) . .
C42 C43 H43 118.7 . .
C44 C43 H43 118.7 . .
K2 C43 H43 114.9 . .
C43 C44 C49 115.99(14) . .
C43 C44 C45 121.15(15) . .
C49 C44 C45 122.73(15) . .
C43 C44 K2 76.81(9) . .
C49 C44 K2 76.40(9) . .
C45 C44 K2 119.42(10) . .
C46B C45 C48A 137.7(5) . .
C46B C45 C46A 58.9(5) . .
C48A C45 C46A 111.9(2) . .
C46B C45 C47B 114.3(7) . .
C46A C45 C47B 137.6(5) . .
C46B C45 C44 113.1(5) . .
C48A C45 C44 108.71(16) . .
C46A C45 C44 110.30(16) . .
C47B C45 C44 110.2(4) . .
C46B C45 C47A 50.5(5) . .
C48A C45 C47A 107.52(19) . .
C46A C45 C47A 107.00(19) . .
C47B C45 C47A 68.9(5) . .
C44 C45 C47A 111.35(16) . .
C46B C45 C48B 102.7(7) . .
C48A C45 C48B 66.0(5) . .
C46A C45 C48B 48.3(5) . .
C47B C45 C48B 103.4(7) . .
C44 C45 C48B 112.6(4) . .
C47A C45 C48B 135.1(4) . .
C45 C46A H46A 109.5 . .
C45 C46A H46B 109.5 . .
H46A C46A H46B 109.5 . .
C45 C46A H46C 109.5 . .
H46A C46A H46C 109.5 . .
H46B C46A H46C 109.5 . .
C45 C47A H47A 109.5 . .
C45 C47A H47B 109.5 . .
H47A C47A H47B 109.5 . .
C45 C47A H47C 109.5 . .
H47A C47A H47C 109.5 . .
H47B C47A H47C 109.5 . .
C45 C48A H48A 109.5 . .
C45 C48A H48B 109.5 . .
H48A C48A H48B 109.5 . .
C45 C48A H48C 109.5 . .
H48A C48A H48C 109.5 . .
H48B C48A H48C 109.5 . .
C45 C46B H46D 109.5 . .
C45 C46B H46E 109.5 . .
H46D C46B H46E 109.5 . .
C45 C46B H46F 109.5 . .
H46D C46B H46F 109.5 . .
H46E C46B H46F 109.5 . .
C45 C47B H47D 109.5 . .
C45 C47B H47E 109.5 . .
H47D C47B H47E 109.5 . .
C45 C47B H47F 109.5 . .
H47D C47B H47F 109.5 . .
H47E C47B H47F 109.5 . .
C45 C48B H48D 109.5 . .
C45 C48B H48E 109.5 . .
H48D C48B H48E 109.5 . .
C45 C48B H48F 109.5 . .
H48D C48B H48F 109.5 . .
H48E C48B H48F 109.5 . .
C50 C49 C44 124.30(14) . .
C50 C49 K2 77.19(8) . .
C44 C49 K2 78.59(9) . .
C50 C49 H49 117.9 . .
C44 C49 H49 117.9 . .
K2 C49 H49 116.7 . .
C49 C50 C55 119.17(13) . .
C49 C50 C51 120.98(14) . .
C55 C50 C51 119.85(14) . .
C49 C50 K2 77.70(9) . .
C55 C50 K2 77.40(8) . .
C51 C50 K2 116.00(9) . .
C53 C51 C52 107.45(15) . .
C53 C51 C50 110.00(14) . .
C52 C51 C50 112.77(15) . .
C53 C51 C54 110.44(16) . .
C52 C51 C54 106.70(14) . .
C50 C51 C54 109.43(13) . .
C51 C52 H52A 109.5 . .
C51 C52 H52B 109.5 . .
H52A C52 H52B 109.5 . .
C51 C52 H52C 109.5 . .
H52A C52 H52C 109.5 . .
H52B C52 H52C 109.5 . .
C51 C53 H53A 109.5 . .
C51 C53 H53B 109.5 . .
H53A C53 H53B 109.5 . .
C51 C53 H53C 109.5 . .
H53A C53 H53C 109.5 . .
H53B C53 H53C 109.5 . .
C51 C54 H54A 109.5 . .
C51 C54 H54B 109.5 . .
H54A C54 H54B 109.5 . .
C51 C54 H54C 109.5 . .
H54A C54 H54C 109.5 . .
H54B C54 H54C 109.5 . .
O56 C55 C42 120.24(13) . .
O56 C55 C50 123.37(13) . .
C42 C55 C50 116.38(14) . .
O56 C55 K2 114.83(9) . .
C42 C55 K2 78.15(8) . .
C50 C55 K2 76.74(8) . .
C42 C55 K1 99.57(9) . 2_657
C50 C55 K1 126.55(10) . 2_657
K2 C55 K1 152.58(5) . 2_657
C55 O56 K2 139.95(9) . 2_657
C55 O56 K1 118.23(9) . 2_657
K2 O56 K1 98.88(4) 2_657 2_657
C63 C61 C62 120.1(3) 2_666 .
C63 C61 H61 120 2_666 .
C62 C61 H61 120 . .
C63 C62 C61 119.2(3) . .
C63 C62 H62 120.4 . .
C61 C62 H62 120.4 . .
C61 C63 C62 120.8(3) 2_666 .
C61 C63 H63 119.6 2_666 .
C62 C63 H63 119.6 . .
loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_site_symmetry_2
K1 O56 2.7065(12) 2_657
K1 O13 2.7435(14) .
K1 O10A 2.795(3) .
K1 O10B 2.889(3) .
K1 O7 2.9099(15) .
K1 N1 2.9692(15) .
K1 O4 3.0296(14) .
K1 N21 3.0472(17) .
K1 Si1A 3.4716(12) .
K1 C55 3.5134(15) 2_657
K1 Si2 3.7948(7) .
K1 K2 3.9906(5) .
Si2 N21 1.6572(17) .
Si2 C25 1.874(3) .
Si2 C24 1.887(2) .
Si2 K2 3.6144(6) .
Si2 HI2 1 .
N1 C2 1.474(2) .
N1 C15 1.477(2) .
N1 C41 1.488(2) .
C2 C3 1.510(3) .
C2 H2A 0.99 .
C2 H2B 0.99 .
C3 O4 1.422(2) .
C3 H3A 0.99 .
C3 H3B 0.99 .
O4 C5 1.418(3) .
C5 C6 1.496(4) .
C5 H5A 0.99 .
C5 H5B 0.99 .
C6 O7 1.428(3) .
C6 H6A 0.99 .
C6 H6B 0.99 .
O7 C8 1.428(3) .
C8 C9 1.480(5) .
C8 H8A 0.99 .
C8 H8B 0.99 .
C9 O10A 1.356(5) .
C9 O10B 1.563(5) .
C9 H9A 0.99 .
C9 H9B 0.99 .
O10A C11A 1.429(7) .
C11A C12A 1.442(8) .
C11A H11A 0.99 .
C11A H11B 0.99 .
C12A O13 1.350(5) .
C12A H12A 0.99 .
C12A H12B 0.99 .
O10B C11B 1.427(7) .
C11B C12B 1.515(8) .
C11B H11C 0.99 .
C11B H11D 0.99 .
C12B O13 1.570(6) .
C12B H12C 0.99 .
C12B H12D 0.99 .
O13 C14 1.401(3) .
C14 C15 1.508(3) .
C14 H14A 0.99 .
C14 H14B 0.99 .
C15 H15A 0.99 .
C15 H15B 0.99 .
N21 Si1B 1.6063(18) .
N21 Si1A 1.791(2) .
N21 K2 2.6898(15) .
Si1A C22A 1.483(6) .
Si1A C23A 1.843(2) .
Si1A K2 3.6250(12) .
Si1A HI1A 1 .
C22A H22A 0.98 .
C22A H22B 0.98 .
C22A H22C 0.98 .
C23A H23A 0.98 .
C23A H23B 0.98 .
C23A H23C 0.98 .
Si1B C22B 1.719(5) .
Si1B K2 3.5898(10) .
Si1B HI1B 1 .
C22B H22D 0.98 .
C22B H22E 0.98 .
C22B H22F 0.98 .
C24 H24A 0.98 .
C24 H24B 0.98 .
C24 H24C 0.98 .
C25 H25A 0.98 .
C25 H25B 0.98 .
C25 H25C 0.98 .
K2 O56 2.5444(11) 2_657
K2 C50 3.2142(15) .
K2 C49 3.2206(15) .
K2 C55 3.2226(15) .
K2 C43 3.2293(16) .
K2 C42 3.2478(15) .
K2 C44 3.2481(15) .
C41 C42 1.508(2) 2_657
C41 H41A 0.99 .
C41 H41B 0.99 .
C42 C43 1.389(2) .
C42 C55 1.436(2) .
C42 C41 1.508(2) 2_657
C43 C44 1.395(2) .
C43 H43 0.95 .
C44 C49 1.401(2) .
C44 C45 1.535(2) .
C45 C46B 1.464(13) .
C45 C48A 1.514(3) .
C45 C46A 1.520(3) .
C45 C47B 1.522(11) .
C45 C47A 1.561(3) .
C45 C48B 1.686(14) .
C46A H46A 0.98 .
C46A H46B 0.98 .
C46A H46C 0.98 .
C47A H47A 0.98 .
C47A H47B 0.98 .
C47A H47C 0.98 .
C48A H48A 0.98 .
C48A H48B 0.98 .
C48A H48C 0.98 .
C46B H46D 0.98 .
C46B H46E 0.98 .
C46B H46F 0.98 .
C47B H47D 0.98 .
C47B H47E 0.98 .
C47B H47F 0.98 .
C48B H48D 0.98 .
C48B H48E 0.98 .
C48B H48F 0.98 .
C49 C50 1.399(2) .
C49 H49 0.95 .
C50 C55 1.440(2) .
C50 C51 1.539(2) .
C51 C53 1.537(3) .
C51 C52 1.538(2) .
C51 C54 1.539(2) .
C52 H52A 0.98 .
C52 H52B 0.98 .
C52 H52C 0.98 .
C53 H53A 0.98 .
C53 H53B 0.98 .
C53 H53C 0.98 .
C54 H54A 0.98 .
C54 H54B 0.98 .
C54 H54C 0.98 .
C55 O56 1.3000(19) .
C55 K1 3.5134(15) 2_657
O56 K2 2.5443(11) 2_657
O56 K1 2.7065(12) 2_657
C61 C63 1.361(4) 2_666
C61 C62 1.372(4) .
C61 H61 0.95 .
C62 C63 1.364(4) .
C62 H62 0.95 .
C63 C61 1.361(4) 2_666
C63 H63 0.95 .
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_4
O56 K1 Si2 N21 57.64(8) 2_657 .
O13 K1 Si2 N21 -176.32(8) . .
O10A K1 Si2 N21 -120.18(11) . .
O10B K1 Si2 N21 -111.46(11) . .
O7 K1 Si2 N21 -76.12(9) . .
N1 K1 Si2 N21 129.21(8) . .
O4 K1 Si2 N21 175.43(11) . .
Si1A K1 Si2 N21 -22.65(7) . .
C55 K1 Si2 N21 66.19(8) 2_657 .
K2 K1 Si2 N21 50.25(7) . .
O56 K1 Si2 C25 -55.88(10) 2_657 .
O13 K1 Si2 C25 70.16(10) . .
O10A K1 Si2 C25 126.30(12) . .
O10B K1 Si2 C25 135.02(12) . .
O7 K1 Si2 C25 170.36(11) . .
N1 K1 Si2 C25 15.69(10) . .
O4 K1 Si2 C25 61.90(13) . .
N21 K1 Si2 C25 -113.52(12) . .
Si1A K1 Si2 C25 -136.17(10) . .
C55 K1 Si2 C25 -47.33(10) 2_657 .
K2 K1 Si2 C25 -63.28(10) . .
O56 K1 Si2 C24 120.0(3) 2_657 .
O13 K1 Si2 C24 -113.9(3) . .
O10A K1 Si2 C24 -57.8(3) . .
O10B K1 Si2 C24 -49.1(3) . .
O7 K1 Si2 C24 -13.7(3) . .
N1 K1 Si2 C24 -168.4(3) . .
O4 K1 Si2 C24 -122.2(3) . .
N21 K1 Si2 C24 62.4(3) . .
Si1A K1 Si2 C24 39.7(3) . .
C55 K1 Si2 C24 128.6(3) 2_657 .
K2 K1 Si2 C24 112.6(3) . .
O56 K1 Si2 K2 7.39(3) 2_657 .
O13 K1 Si2 K2 133.44(4) . .
O10A K1 Si2 K2 -170.43(8) . .
O10B K1 Si2 K2 -161.70(8) . .
O7 K1 Si2 K2 -126.36(5) . .
N1 K1 Si2 K2 78.97(3) . .
O4 K1 Si2 K2 125.18(8) . .
N21 K1 Si2 K2 -50.25(7) . .
Si1A K1 Si2 K2 -72.89(2) . .
C55 K1 Si2 K2 15.94(3) 2_657 .
O56 K1 N1 C2 -108.67(11) 2_657 .
O13 K1 N1 C2 100.92(12) . .
O10A K1 N1 C2 65.48(14) . .
O10B K1 N1 C2 75.26(14) . .
O7 K1 N1 C2 4.12(12) . .
O4 K1 N1 C2 0.87(10) . .
N21 K1 N1 C2 -173.70(10) . .
Si1A K1 N1 C2 -149.98(10) . .
C55 K1 N1 C2 -92.49(11) 2_657 .
Si2 K1 N1 C2 163.45(10) . .
K2 K1 N1 C2 -142.78(10) . .
O56 K1 N1 C15 130.16(10) 2_657 .
O13 K1 N1 C15 -20.24(10) . .
O10A K1 N1 C15 -55.68(13) . .
O10B K1 N1 C15 -45.90(13) . .
O7 K1 N1 C15 -117.05(10) . .
O4 K1 N1 C15 -120.29(11) . .
N21 K1 N1 C15 65.13(11) . .
Si1A K1 N1 C15 88.86(11) . .
C55 K1 N1 C15 146.35(11) 2_657 .
Si2 K1 N1 C15 42.28(10) . .
K2 K1 N1 C15 96.06(10) . .
O56 K1 N1 C41 16.13(9) 2_657 .
O13 K1 N1 C41 -134.27(11) . .
O10A K1 N1 C41 -169.72(12) . .
O10B K1 N1 C41 -159.93(12) . .
O7 K1 N1 C41 128.92(9) . .
O4 K1 N1 C41 125.68(10) . .
N21 K1 N1 C41 -48.90(10) . .
Si1A K1 N1 C41 -25.17(13) . .
C55 K1 N1 C41 32.32(9) 2_657 .
Si2 K1 N1 C41 -71.75(9) . .
K2 K1 N1 C41 -17.97(9) . .
C15 N1 C2 C3 146.60(16) . .
C41 N1 C2 C3 -92.48(18) . .
K1 N1 C2 C3 29.48(18) . .
N1 C2 C3 O4 -63.84(19) . .
C2 C3 O4 C5 -179.90(16) . .
C2 C3 O4 K1 61.69(14) . .
O56 K1 O4 C5 -89.00(14) 2_657 .
O13 K1 O4 C5 145.56(15) . .
O10A K1 O4 C5 87.27(16) . .
O10B K1 O4 C5 83.02(16) . .
O7 K1 O4 C5 30.61(14) . .
N1 K1 O4 C5 -152.87(15) . .
Si1A K1 O4 C5 0.09(17) . .
C55 K1 O4 C5 -91.28(14) 2_657 .
Si2 K1 O4 C5 153.60(13) . .
K2 K1 O4 C5 -96.70(14) . .
O56 K1 O4 C3 31.73(11) 2_657 .
O13 K1 O4 C3 -93.71(11) . .
O10A K1 O4 C3 -152.00(14) . .
O10B K1 O4 C3 -156.24(13) . .
O7 K1 O4 C3 151.34(13) . .
N1 K1 O4 C3 -32.13(10) . .
Si1A K1 O4 C3 120.82(11) . .
C55 K1 O4 C3 29.45(11) 2_657 .
Si2 K1 O4 C3 -85.67(14) . .
K2 K1 O4 C3 24.03(13) . .
C3 O4 C5 C6 177.40(18) . .
K1 O4 C5 C6 -63.5(2) . .
O4 C5 C6 O7 67.8(3) . .
C5 C6 O7 C8 -165.3(2) . .
C5 C6 O7 K1 -35.1(3) . .
O56 K1 O7 C8 -146.41(16) 2_657 .
O13 K1 O7 C8 64.60(17) . .
O10A K1 O7 C8 35.23(18) . .
O10B K1 O7 C8 19.08(18) . .
N1 K1 O7 C8 131.95(16) . .
O4 K1 O7 C8 135.25(18) . .
N21 K1 O7 C8 -50.23(18) . .
Si1A K1 O7 C8 -61.18(17) . .
C55 K1 O7 C8 -164.15(16) 2_657 .
Si2 K1 O7 C8 -21.14(18) . .
K2 K1 O7 C8 -102.79(17) . .
O56 K1 O7 C6 81.6(2) 2_657 .
O13 K1 O7 C6 -67.4(2) . .
O10A K1 O7 C6 -96.8(2) . .
O10B K1 O7 C6 -112.9(2) . .
N1 K1 O7 C6 -0.1(2) . .
O4 K1 O7 C6 3.2(2) . .
N21 K1 O7 C6 177.8(2) . .
Si1A K1 O7 C6 166.8(2) . .
C55 K1 O7 C6 63.8(2) 2_657 .
Si2 K1 O7 C6 -153.14(19) . .
K2 K1 O7 C6 125.2(2) . .
C6 O7 C8 C9 77.3(3) . .
K1 O7 C8 C9 -58.3(2) . .
O7 C8 C9 O10A 46.5(4) . .
O7 C8 C9 O10B 75.4(3) . .
C8 C9 O10A C11A -161.9(3) . .
O10B C9 O10A C11A 116.4(7) . .
C8 C9 O10A K1 -9.4(5) . .
O10B C9 O10A K1 -91.1(5) . .
O13 K1 O10A C9 -160.3(4) . .
O10B K1 O10A C9 92.0(6) . .
O7 K1 O10A C9 -14.0(3) . .
N1 K1 O10A C9 -122.8(3) . .
O4 K1 O10A C9 -71.1(3) . .
N21 K1 O10A C9 105.6(3) . .
Si1A K1 O10A C9 74.8(3) . .
C55 K1 O10A C9 -67.5(4) 2_657 .
Si2 K1 O10A C9 127.8(3) . .
K2 K1 O10A C9 113.9(3) . .
O13 K1 O10A C11A -8.5(3) . .
O10B K1 O10A C11A -116.1(7) . .
O7 K1 O10A C11A 137.9(3) . .
N1 K1 O10A C11A 29.0(3) . .
O4 K1 O10A C11A 80.7(3) . .
N21 K1 O10A C11A -102.5(3) . .
Si1A K1 O10A C11A -133.3(3) . .
C55 K1 O10A C11A 84.3(4) 2_657 .
Si2 K1 O10A C11A -80.3(3) . .
K2 K1 O10A C11A -94.3(3) . .
C9 O10A C11A C12A -164.1(4) . .
K1 O10A C11A C12A 40.6(5) . .
O10A C11A C12A O13 -64.9(5) . .
O10A C9 O10B C11B -68.1(5) . .
C8 C9 O10B C11B -175.4(3) . .
O10A C9 O10B K1 57.7(5) . .
C8 C9 O10B K1 -49.6(3) . .
O56 K1 O10B C11B -123.4(4) 2_657 .
O13 K1 O10B C11B 14.0(3) . .
O10A K1 O10B C11B 78.6(6) . .
O7 K1 O10B C11B 144.2(3) . .
N1 K1 O10B C11B 39.5(3) . .
O4 K1 O10B C11B 95.2(3) . .
N21 K1 O10B C11B -88.2(3) . .
Si1A K1 O10B C11B -118.6(3) . .
C55 K1 O10B C11B 127.2(4) 2_657 .
Si2 K1 O10B C11B -64.9(3) . .
K2 K1 O10B C11B -85.1(3) . .
O56 K1 O10B C9 108.8(4) 2_657 .
O13 K1 O10B C9 -113.8(3) . .
O10A K1 O10B C9 -49.3(5) . .
O7 K1 O10B C9 16.4(2) . .
N1 K1 O10B C9 -88.3(3) . .
O4 K1 O10B C9 -32.7(2) . .
N21 K1 O10B C9 143.9(2) . .
Si1A K1 O10B C9 113.5(2) . .
C55 K1 O10B C9 -0.6(6) 2_657 .
Si2 K1 O10B C9 167.2(3) . .
K2 K1 O10B C9 147.0(2) . .
C9 O10B C11B C12B 77.9(5) . .
K1 O10B C11B C12B -48.2(5) . .
O10B C11B C12B O13 66.1(5) . .
C11A C12A O13 C14 -94.9(4) . .
C11A C12A O13 C12B -32.3(7) . .
C11A C12A O13 K1 60.1(5) . .
C11B C12B O13 C12A 52.1(8) . .
C11B C12B O13 C14 179.7(3) . .
C11B C12B O13 K1 -48.9(4) . .
O56 K1 O13 C12A 157.4(3) 2_657 .
O10A K1 O13 C12A -27.8(3) . .
O10B K1 O13 C12A -12.0(3) . .
O7 K1 O13 C12A -56.7(3) . .
N1 K1 O13 C12A -167.4(3) . .
O4 K1 O13 C12A -109.5(3) . .
N21 K1 O13 C12A 71.8(3) . .
Si1A K1 O13 C12A 48.4(3) . .
C55 K1 O13 C12A 179.3(3) 2_657 .
Si2 K1 O13 C12A 73.4(3) . .
K2 K1 O13 C12A 114.1(3) . .
O56 K1 O13 C14 -47.00(17) 2_657 .
O10A K1 O13 C14 127.86(18) . .
O10B K1 O13 C14 143.65(18) . .
O7 K1 O13 C14 98.91(15) . .
N1 K1 O13 C14 -11.78(14) . .
O4 K1 O13 C14 46.07(15) . .
N21 K1 O13 C14 -132.58(15) . .
Si1A K1 O13 C14 -156.00(13) . .
C55 K1 O13 C14 -25.13(17) 2_657 .
Si2 K1 O13 C14 -130.99(16) . .
K2 K1 O13 C14 -90.27(15) . .
O56 K1 O13 C12B -171.7(2) 2_657 .
O10A K1 O13 C12B 3.1(3) . .
O10B K1 O13 C12B 18.9(3) . .
O7 K1 O13 C12B -25.8(3) . .
N1 K1 O13 C12B -136.5(3) . .
O4 K1 O13 C12B -78.7(3) . .
N21 K1 O13 C12B 102.7(3) . .
Si1A K1 O13 C12B 79.3(3) . .
C55 K1 O13 C12B -149.9(2) 2_657 .
Si2 K1 O13 C12B 104.3(3) . .
K2 K1 O13 C12B 145.0(2) . .
C12A O13 C14 C15 -163.0(3) . .
C12B O13 C14 C15 171.4(3) . .
K1 O13 C14 C15 42.5(2) . .
C2 N1 C15 C14 -71.9(2) . .
C41 N1 C15 C14 165.13(16) . .
K1 N1 C15 C14 52.44(17) . .
O13 C14 C15 N1 -67.8(2) . .
C25 Si2 N21 Si1B -149.97(14) . .
C24 Si2 N21 Si1B -28.02(19) . .
K2 Si2 N21 Si1B -135.29(16) . .
K1 Si2 N21 Si1B 131.89(15) . .
C25 Si2 N21 Si1A -177.87(18) . .
C24 Si2 N21 Si1A -55.9(2) . .
K2 Si2 N21 Si1A -163.2(2) . .
K1 Si2 N21 Si1A 103.99(18) . .
C25 Si2 N21 K2 -14.67(13) . .
C24 Si2 N21 K2 107.27(13) . .
K1 Si2 N21 K2 -92.81(7) . .
C25 Si2 N21 K1 78.14(11) . .
C24 Si2 N21 K1 -159.92(12) . .
K2 Si2 N21 K1 92.81(7) . .
O56 K1 N21 Si1B 100.98(8) 2_657 .
O13 K1 N21 Si1B -134.18(8) . .
O10A K1 N21 Si1B -75.03(12) . .
O10B K1 N21 Si1B -71.58(11) . .
O7 K1 N21 Si1B -16.09(10) . .
N1 K1 N21 Si1B 161.59(7) . .
Si1A K1 N21 Si1B 5.51(6) . .
C55 K1 N21 Si1B 102.27(8) 2_657 .
Si2 K1 N21 Si1B -137.81(13) . .
K2 K1 N21 Si1B 111.88(9) . .
O56 K1 N21 Si2 -121.22(7) 2_657 .
O13 K1 N21 Si2 3.63(8) . .
O10A K1 N21 Si2 62.78(11) . .
O10B K1 N21 Si2 66.22(11) . .
O7 K1 N21 Si2 121.72(8) . .
N1 K1 N21 Si2 -60.60(8) . .
Si1A K1 N21 Si2 143.31(11) . .
C55 K1 N21 Si2 -119.93(7) 2_657 .
K2 K1 N21 Si2 -110.31(9) . .
O56 K1 N21 Si1A 95.47(6) 2_657 .
O13 K1 N21 Si1A -139.69(7) . .
O10A K1 N21 Si1A -80.53(10) . .
O10B K1 N21 Si1A -77.09(10) . .
O7 K1 N21 Si1A -21.60(9) . .
N1 K1 N21 Si1A 156.09(6) . .
C55 K1 N21 Si1A 96.76(6) 2_657 .
Si2 K1 N21 Si1A -143.31(11) . .
K2 K1 N21 Si1A 106.37(7) . .
O56 K1 N21 K2 -10.90(4) 2_657 .
O13 K1 N21 K2 113.94(5) . .
O10A K1 N21 K2 173.09(9) . .
O10B K1 N21 K2 176.53(9) . .
O7 K1 N21 K2 -127.97(5) . .
N1 K1 N21 K2 49.71(6) . .
Si1A K1 N21 K2 -106.37(7) . .
C55 K1 N21 K2 -9.62(5) 2_657 .
Si2 K1 N21 K2 110.31(9) . .
Si1B N21 Si1A C22A -93.4(3) . .
Si2 N21 Si1A C22A -33.9(4) . .
K2 N21 Si1A C22A 162.5(3) . .
K1 N21 Si1A C22A 75.3(3) . .
Si1B N21 Si1A C23A 74.70(15) . .
Si2 N21 Si1A C23A 134.16(18) . .
K2 N21 Si1A C23A -29.43(13) . .
K1 N21 Si1A C23A -116.59(11) . .
Si1B N21 Si1A K1 -168.71(12) . .
Si2 N21 Si1A K1 -109.26(18) . .
K2 N21 Si1A K1 87.15(6) . .
Si1B N21 Si1A K2 104.13(12) . .
Si2 N21 Si1A K2 163.6(2) . .
K1 N21 Si1A K2 -87.15(6) . .
O56 K1 Si1A C22A 153.6(3) 2_657 .
O13 K1 Si1A C22A -76.8(3) . .
O10A K1 Si1A C22A -21.0(3) . .
O10B K1 Si1A C22A -25.4(3) . .
O7 K1 Si1A C22A 35.7(3) . .
N1 K1 Si1A C22A -167.5(3) . .
O4 K1 Si1A C22A 61.0(3) . .
N21 K1 Si1A C22A -126.1(3) . .
C55 K1 Si1A C22A 144.9(3) 2_657 .
Si2 K1 Si1A C22A -107.6(3) . .
K2 K1 Si1A C22A -176.0(3) . .
O56 K1 Si1A N21 -80.31(7) 2_657 .
O13 K1 Si1A N21 49.27(8) . .
O10A K1 Si1A N21 105.10(10) . .
O10B K1 Si1A N21 100.74(10) . .
O7 K1 Si1A N21 161.80(7) . .
N1 K1 Si1A N21 -41.39(9) . .
O4 K1 Si1A N21 -172.92(7) . .
C55 K1 Si1A N21 -89.04(7) 2_657 .
Si2 K1 Si1A N21 18.49(6) . .
K2 K1 Si1A N21 -49.93(6) . .
O56 K1 Si1A C23A 14.58(11) 2_657 .
O13 K1 Si1A C23A 144.16(12) . .
O10A K1 Si1A C23A -160.01(14) . .
O10B K1 Si1A C23A -164.36(14) . .
O7 K1 Si1A C23A -103.31(12) . .
N1 K1 Si1A C23A 53.50(13) . .
O4 K1 Si1A C23A -78.02(13) . .
N21 K1 Si1A C23A 94.90(13) . .
C55 K1 Si1A C23A 5.86(11) 2_657 .
Si2 K1 Si1A C23A 113.39(11) . .
K2 K1 Si1A C23A 44.97(11) . .
O56 K1 Si1A K2 -30.39(3) 2_657 .
O13 K1 Si1A K2 99.19(5) . .
O10A K1 Si1A K2 155.02(8) . .
O10B K1 Si1A K2 150.67(8) . .
O7 K1 Si1A K2 -148.28(4) . .
N1 K1 Si1A K2 8.53(7) . .
O4 K1 Si1A K2 -122.99(6) . .
N21 K1 Si1A K2 49.93(6) . .
C55 K1 Si1A K2 -39.11(3) 2_657 .
Si2 K1 Si1A K2 68.42(2) . .
Si2 N21 Si1B C22B -55.4(3) . .
Si1A N21 Si1B C22B 84.7(3) . .
K2 N21 Si1B C22B 169.5(3) . .
K1 N21 Si1B C22B 72.3(3) . .
Si2 N21 Si1B K2 135.07(16) . .
Si1A N21 Si1B K2 -84.85(12) . .
K1 N21 Si1B K2 -97.19(9) . .
Si1B N21 K2 O56 -103.28(9) . 2_657
Si2 N21 K2 O56 115.13(8) . 2_657
Si1A N21 K2 O56 -75.54(8) . 2_657
K1 N21 K2 O56 11.44(4) . 2_657
Si1B N21 K2 C50 118.25(9) . .
Si2 N21 K2 C50 -23.34(12) . .
Si1A N21 K2 C50 145.98(7) . .
K1 N21 K2 C50 -127.04(6) . .
Si1B N21 K2 C49 100.23(9) . .
Si2 N21 K2 C49 -41.35(10) . .
Si1A N21 K2 C49 127.97(8) . .
K1 N21 K2 C49 -145.05(4) . .
Si1B N21 K2 C55 91.82(18) . .
Si2 N21 K2 C55 -49.8(2) . .
Si1A N21 K2 C55 119.55(15) . .
K1 N21 K2 C55 -153.47(14) . .
Si1B N21 K2 C43 49.30(11) . .
Si2 N21 K2 C43 -92.29(8) . .
Si1A N21 K2 C43 77.04(9) . .
K1 N21 K2 C43 164.02(4) . .
Si1B N21 K2 C42 38.59(14) . .
Si2 N21 K2 C42 -102.99(10) . .
Si1A N21 K2 C42 66.33(12) . .
K1 N21 K2 C42 153.31(6) . .
Si1B N21 K2 C44 73.80(10) . .
Si2 N21 K2 C44 -67.79(9) . .
Si1A N21 K2 C44 101.54(8) . .
K1 N21 K2 C44 -171.48(4) . .
Si2 N21 K2 Si1B -141.59(15) . .
Si1A N21 K2 Si1B 27.74(6) . .
K1 N21 K2 Si1B 114.72(10) . .
Si1B N21 K2 Si2 141.59(15) . .
Si1A N21 K2 Si2 169.33(14) . .
K1 N21 K2 Si2 -103.69(8) . .
Si1B N21 K2 Si1A -27.74(6) . .
Si2 N21 K2 Si1A -169.33(14) . .
K1 N21 K2 Si1A 86.98(8) . .
Si1B N21 K2 K1 -114.72(10) . .
Si2 N21 K2 K1 103.69(8) . .
Si1A N21 K2 K1 -86.98(8) . .
N21 Si1B K2 O56 78.10(10) . 2_657
N21 Si1B K2 C50 -95.04(11) . .
N21 Si1B K2 C49 -94.30(10) . .
N21 Si1B K2 C55 -144.71(11) . .
N21 Si1B K2 C43 -139.10(10) . .
N21 Si1B K2 C42 -155.58(10) . .
N21 Si1B K2 C44 -113.59(10) . .
N21 Si1B K2 Si2 -21.35(9) . .
N21 Si1B K2 Si1A 93.40(14) . .
N21 Si1B K2 K1 51.06(9) . .
N21 Si2 K2 O56 -67.25(8) . 2_657
C25 Si2 K2 O56 97.95(10) . 2_657
C24 Si2 K2 O56 -166.29(15) . 2_657
K1 Si2 K2 O56 -8.00(3) . 2_657
C25 Si2 K2 N21 165.20(13) . .
C24 Si2 K2 N21 -99.04(17) . .
K1 Si2 K2 N21 59.25(8) . .
N21 Si2 K2 C50 163.65(9) . .
C25 Si2 K2 C50 -31.15(10) . .
C24 Si2 K2 C50 64.61(15) . .
K1 Si2 K2 C50 -137.10(3) . .
N21 Si2 K2 C49 144.31(9) . .
C25 Si2 K2 C49 -50.50(10) . .
C24 Si2 K2 C49 45.27(15) . .
K1 Si2 K2 C49 -156.45(3) . .
N21 Si2 K2 C55 159.71(9) . .
C25 Si2 K2 C55 -35.09(11) . .
C24 Si2 K2 C55 60.67(16) . .
K1 Si2 K2 C55 -141.04(5) . .
N21 Si2 K2 C43 104.32(9) . .
C25 Si2 K2 C43 -90.48(10) . .
C24 Si2 K2 C43 5.28(15) . .
K1 Si2 K2 C43 163.57(4) . .
N21 Si2 K2 C42 116.21(10) . .
C25 Si2 K2 C42 -78.59(11) . .
C24 Si2 K2 C42 17.17(16) . .
K1 Si2 K2 C42 175.46(5) . .
N21 Si2 K2 C44 118.94(9) . .
C25 Si2 K2 C44 -75.86(10) . .
C24 Si2 K2 C44 19.90(15) . .
K1 Si2 K2 C44 178.19(3) . .
N21 Si2 K2 Si1B 20.73(8) . .
C25 Si2 K2 Si1B -174.07(10) . .
C24 Si2 K2 Si1B -78.31(15) . .
K1 Si2 K2 Si1B 79.98(2) . .
N21 Si2 K2 Si1A 6.27(8) . .
C25 Si2 K2 Si1A 171.47(10) . .
C24 Si2 K2 Si1A -92.77(15) . .
K1 Si2 K2 Si1A 65.52(3) . .
N21 Si2 K2 K1 -59.25(8) . .
C25 Si2 K2 K1 105.95(10) . .
C24 Si2 K2 K1 -158.29(15) . .
C22A Si1A K2 O56 46.0(9) . 2_657
N21 Si1A K2 O56 103.02(8) . 2_657
C23A Si1A K2 O56 -107.07(10) . 2_657
K1 Si1A K2 O56 32.61(3) . 2_657
C22A Si1A K2 N21 -57.0(9) . .
C23A Si1A K2 N21 149.91(14) . .
K1 Si1A K2 N21 -70.41(8) . .
C22A Si1A K2 C50 -131.6(9) . .
N21 Si1A K2 C50 -74.59(12) . .
C23A Si1A K2 C50 75.32(14) . .
K1 Si1A K2 C50 -145.01(9) . .
C22A Si1A K2 C49 -127.8(9) . .
N21 Si1A K2 C49 -70.78(9) . .
C23A Si1A K2 C49 79.13(11) . .
K1 Si1A K2 C49 -141.20(4) . .
C22A Si1A K2 C55 158.9(9) . .
N21 Si1A K2 C55 -144.06(10) . .
C23A Si1A K2 C55 5.85(14) . .
K1 Si1A K2 C55 145.53(8) . .
C22A Si1A K2 C43 -175.0(9) . .
N21 Si1A K2 C43 -118.01(9) . .
C23A Si1A K2 C43 31.90(11) . .
K1 Si1A K2 C43 171.58(3) . .
C22A Si1A K2 C42 162.6(9) . .
N21 Si1A K2 C42 -140.37(8) . .
C23A Si1A K2 C42 9.54(11) . .
K1 Si1A K2 C42 149.22(4) . .
C22A Si1A K2 C44 -147.7(9) . .
N21 Si1A K2 C44 -90.71(9) . .
C23A Si1A K2 C44 59.20(11) . .
K1 Si1A K2 C44 -161.12(4) . .
C22A Si1A K2 Si1B -118.7(9) . .
N21 Si1A K2 Si1B -61.67(12) . .
C23A Si1A K2 Si1B 88.24(14) . .
K1 Si1A K2 Si1B -132.09(11) . .
C22A Si1A K2 Si2 -62.7(9) . .
N21 Si1A K2 Si2 -5.69(8) . .
C23A Si1A K2 Si2 144.23(10) . .
K1 Si1A K2 Si2 -76.10(2) . .
C22A Si1A K2 K1 13.4(9) . .
N21 Si1A K2 K1 70.41(8) . .
C23A Si1A K2 K1 -139.67(10) . .
O13 K1 K2 O56 118.00(5) . 2_657
O10A K1 K2 O56 -174.69(15) . 2_657
O10B K1 K2 O56 -167.42(12) . 2_657
O7 K1 K2 O56 -75.19(7) . 2_657
N1 K1 K2 O56 57.48(5) . 2_657
O4 K1 K2 O56 12.21(5) . 2_657
N21 K1 K2 O56 -162.78(6) . 2_657
Si1A K1 K2 O56 -126.94(5) . 2_657
C55 K1 K2 O56 5.95(5) 2_657 2_657
Si2 K1 K2 O56 168.24(4) . 2_657
O56 K1 K2 N21 162.78(6) 2_657 .
O13 K1 K2 N21 -79.21(6) . .
O10A K1 K2 N21 -11.91(15) . .
O10B K1 K2 N21 -4.63(12) . .
O7 K1 K2 N21 87.60(7) . .
N1 K1 K2 N21 -139.73(5) . .
O4 K1 K2 N21 175.00(6) . .
Si1A K1 K2 N21 35.84(5) . .
C55 K1 K2 N21 168.73(6) 2_657 .
Si2 K1 K2 N21 -28.98(5) . .
O56 K1 K2 C50 -73.30(6) 2_657 .
O13 K1 K2 C50 44.70(6) . .
O10A K1 K2 C50 112.01(15) . .
O10B K1 K2 C50 119.28(12) . .
O7 K1 K2 C50 -148.49(7) . .
N1 K1 K2 C50 -15.82(6) . .
O4 K1 K2 C50 -61.09(6) . .
N21 K1 K2 C50 123.92(7) . .
Si1A K1 K2 C50 159.76(5) . .
C55 K1 K2 C50 -67.35(6) 2_657 .
Si2 K1 K2 C50 94.94(5) . .
O56 K1 K2 C49 -117.15(7) 2_657 .
O13 K1 K2 C49 0.85(7) . .
O10A K1 K2 C49 68.16(16) . .
O10B K1 K2 C49 75.43(13) . .
O7 K1 K2 C49 167.66(8) . .
N1 K1 K2 C49 -59.67(7) . .
O4 K1 K2 C49 -104.94(7) . .
N21 K1 K2 C49 80.07(8) . .
Si1A K1 K2 C49 115.91(7) . .
C55 K1 K2 C49 -111.20(7) 2_657 .
Si2 K1 K2 C49 51.09(6) . .
O56 K1 K2 C55 -29.50(6) 2_657 .
O13 K1 K2 C55 88.50(6) . .
O10A K1 K2 C55 155.80(15) . .
O10B K1 K2 C55 163.08(12) . .
O7 K1 K2 C55 -104.69(7) . .
N1 K1 K2 C55 27.98(6) . .
O4 K1 K2 C55 -17.29(7) . .
N21 K1 K2 C55 167.71(7) . .
Si1A K1 K2 C55 -156.44(5) . .
C55 K1 K2 C55 -23.55(7) 2_657 .
Si2 K1 K2 C55 138.73(5) . .
O56 K1 K2 C43 93.67(14) 2_657 .
O13 K1 K2 C43 -148.33(13) . .
O10A K1 K2 C43 -81.0(2) . .
O10B K1 K2 C43 -73.75(17) . .
O7 K1 K2 C43 18.48(14) . .
N1 K1 K2 C43 151.15(13) . .
O4 K1 K2 C43 105.88(14) . .
N21 K1 K2 C43 -69.12(14) . .
Si1A K1 K2 C43 -33.27(13) . .
C55 K1 K2 C43 99.62(13) 2_657 .
Si2 K1 K2 C43 -98.10(13) . .
O56 K1 K2 C42 18.13(8) 2_657 .
O13 K1 K2 C42 136.13(8) . .
O10A K1 K2 C42 -156.57(16) . .
O10B K1 K2 C42 -149.29(13) . .
O7 K1 K2 C42 -57.06(9) . .
N1 K1 K2 C42 75.61(8) . .
O4 K1 K2 C42 30.34(8) . .
N21 K1 K2 C42 -144.66(9) . .
Si1A K1 K2 C42 -108.81(7) . .
C55 K1 K2 C42 24.08(8) 2_657 .
Si2 K1 K2 C42 -173.64(7) . .
O56 K1 K2 C44 -173.45(10) 2_657 .
O13 K1 K2 C44 -55.45(10) . .
O10A K1 K2 C44 11.86(18) . .
O10B K1 K2 C44 19.13(14) . .
O7 K1 K2 C44 111.36(11) . .
N1 K1 K2 C44 -115.97(10) . .
O4 K1 K2 C44 -161.24(10) . .
N21 K1 K2 C44 23.77(10) . .
Si1A K1 K2 C44 59.61(9) . .
C55 K1 K2 C44 -167.50(10) 2_657 .
Si2 K1 K2 C44 -5.22(9) . .
O56 K1 K2 Si1B 137.55(4) 2_657 .
O13 K1 K2 Si1B -104.45(4) . .
O10A K1 K2 Si1B -37.14(15) . .
O10B K1 K2 Si1B -29.86(11) . .
O7 K1 K2 Si1B 62.37(6) . .
N1 K1 K2 Si1B -164.97(3) . .
O4 K1 K2 Si1B 149.76(4) . .
N21 K1 K2 Si1B -25.23(5) . .
Si1A K1 K2 Si1B 10.61(3) . .
C55 K1 K2 Si1B 143.50(3) 2_657 .
Si2 K1 K2 Si1B -54.21(2) . .
O56 K1 K2 Si2 -168.24(4) 2_657 .
O13 K1 K2 Si2 -50.23(4) . .
O10A K1 K2 Si2 17.07(15) . .
O10B K1 K2 Si2 24.35(11) . .
O7 K1 K2 Si2 116.58(6) . .
N1 K1 K2 Si2 -110.75(3) . .
O4 K1 K2 Si2 -156.02(4) . .
N21 K1 K2 Si2 28.98(5) . .
Si1A K1 K2 Si2 64.82(3) . .
C55 K1 K2 Si2 -162.28(3) 2_657 .
O56 K1 K2 Si1A 126.94(4) 2_657 .
O13 K1 K2 Si1A -115.06(4) . .
O10A K1 K2 Si1A -47.75(15) . .
O10B K1 K2 Si1A -40.48(11) . .
O7 K1 K2 Si1A 51.75(6) . .
N1 K1 K2 Si1A -175.58(4) . .
O4 K1 K2 Si1A 139.15(5) . .
N21 K1 K2 Si1A -35.84(5) . .
C55 K1 K2 Si1A 132.89(4) 2_657 .
Si2 K1 K2 Si1A -64.82(3) . .
C2 N1 C41 C42 55.59(17) . 2_657
C15 N1 C41 C42 177.91(14) . 2_657
K1 N1 C41 C42 -71.44(14) . 2_657
O56 K2 C42 C43 158.89(9) 2_657 .
N21 K2 C42 C43 21.54(13) . .
C50 K2 C42 C43 -95.17(10) . .
C49 K2 C42 C43 -61.85(9) . .
C55 K2 C42 C43 -127.41(13) . .
C44 K2 C42 C43 -28.69(8) . .
Si1B K2 C42 C43 40.47(10) . .
Si2 K2 C42 C43 -24.83(11) . .
Si1A K2 C42 C43 56.11(10) . .
K1 K2 C42 C43 145.66(8) . .
O56 K2 C42 C55 -73.70(9) 2_657 .
N21 K2 C42 C55 148.95(10) . .
C50 K2 C42 C55 32.24(8) . .
C49 K2 C42 C55 65.56(9) . .
C43 K2 C42 C55 127.41(13) . .
C44 K2 C42 C55 98.72(10) . .
Si1B K2 C42 C55 167.88(7) . .
Si2 K2 C42 C55 102.58(9) . .
Si1A K2 C42 C55 -176.48(7) . .
K1 K2 C42 C55 -86.93(11) . .
O56 K2 C42 C41 41.42(12) 2_657 2_657
N21 K2 C42 C41 -95.93(14) . 2_657
C50 K2 C42 C41 147.36(14) . 2_657
C49 K2 C42 C41 -179.33(14) . 2_657
C55 K2 C42 C41 115.12(16) . 2_657
C43 K2 C42 C41 -117.47(16) . 2_657
C44 K2 C42 C41 -146.16(14) . 2_657
Si1B K2 C42 C41 -77.00(12) . 2_657
Si2 K2 C42 C41 -142.31(10) . 2_657
Si1A K2 C42 C41 -61.36(13) . 2_657
K1 K2 C42 C41 28.19(16) . 2_657
C55 C42 C43 C44 3.2(2) . .
C41 C42 C43 C44 -172.42(14) 2_657 .
K2 C42 C43 C44 67.80(14) . .
C55 C42 C43 K2 -64.59(13) . .
C41 C42 C43 K2 119.79(13) 2_657 .
O56 K2 C43 C42 -28.71(11) 2_657 .
N21 K2 C43 C42 -166.33(9) . .
C50 K2 C43 C42 62.94(9) . .
C49 K2 C43 C42 95.40(10) . .
C55 K2 C43 C42 29.15(8) . .
C44 K2 C43 C42 127.29(14) . .
Si1B K2 C43 C42 -147.02(8) . .
Si2 K2 C43 C42 163.46(8) . .
Si1A K2 C43 C42 -135.96(8) . .
K1 K2 C43 C42 -106.92(14) . .
O56 K2 C43 C44 -156.00(9) 2_657 .
N21 K2 C43 C44 66.39(11) . .
C50 K2 C43 C44 -64.35(9) . .
C49 K2 C43 C44 -31.89(9) . .
C55 K2 C43 C44 -98.14(10) . .
C42 K2 C43 C44 -127.29(14) . .
Si1B K2 C43 C44 85.69(9) . .
Si2 K2 C43 C44 36.17(10) . .
Si1A K2 C43 C44 96.76(9) . .
K1 K2 C43 C44 125.80(13) . .
C42 C43 C44 C49 -0.3(2) . .
K2 C43 C44 C49 67.48(12) . .
C42 C43 C44 C45 175.57(14) . .
K2 C43 C44 C45 -116.61(14) . .
C42 C43 C44 K2 -67.82(14) . .
O56 K2 C44 C43 47.02(16) 2_657 .
N21 K2 C44 C43 -125.27(9) . .
C50 K2 C44 C43 93.74(10) . .
C49 K2 C44 C43 121.32(14) . .
C55 K2 C44 C43 60.92(9) . .
C42 K2 C44 C43 28.57(8) . .
Si1B K2 C44 C43 -100.92(9) . .
Si2 K2 C44 C43 -149.16(9) . .
Si1A K2 C44 C43 -94.59(9) . .
K1 K2 C44 C43 -144.59(9) . .
O56 K2 C44 C49 -74.30(15) 2_657 .
N21 K2 C44 C49 113.41(10) . .
C50 K2 C44 C49 -27.58(9) . .
C55 K2 C44 C49 -60.40(9) . .
C43 K2 C44 C49 -121.32(14) . .
C42 K2 C44 C49 -92.75(10) . .
Si1B K2 C44 C49 137.77(9) . .
Si2 K2 C44 C49 89.52(9) . .
Si1A K2 C44 C49 144.09(9) . .
K1 K2 C44 C49 94.09(12) . .
O56 K2 C44 C45 165.56(11) 2_657 .
N21 K2 C44 C45 -6.73(13) . .
C50 K2 C44 C45 -147.73(14) . .
C49 K2 C44 C45 -120.14(17) . .
C55 K2 C44 C45 179.46(14) . .
C43 K2 C44 C45 118.54(17) . .
C42 K2 C44 C45 147.11(14) . .
Si1B K2 C44 C45 17.62(13) . .
Si2 K2 C44 C45 -30.62(12) . .
Si1A K2 C44 C45 23.95(13) . .
K1 K2 C44 C45 -26.05(19) . .
C43 C44 C45 C46B 117.4(5) . .
C49 C44 C45 C46B -66.9(6) . .
K2 C44 C45 C46B 25.5(6) . .
C43 C44 C45 C48A -69.5(2) . .
C49 C44 C45 C48A 106.2(2) . .
K2 C44 C45 C48A -161.45(17) . .
C43 C44 C45 C46A 53.6(2) . .
C49 C44 C45 C46A -130.7(2) . .
K2 C44 C45 C46A -38.4(2) . .
C43 C44 C45 C47B -113.3(5) . .
C49 C44 C45 C47B 62.4(6) . .
K2 C44 C45 C47B 154.7(5) . .
C43 C44 C45 C47A 172.27(16) . .
C49 C44 C45 C47A -12.1(2) . .
K2 C44 C45 C47A 80.28(17) . .
C43 C44 C45 C48B 1.6(5) . .
C49 C44 C45 C48B 177.2(5) . .
K2 C44 C45 C48B -90.4(5) . .
C43 C44 C49 C50 -2.0(2) . .
C45 C44 C49 C50 -177.85(14) . .
K2 C44 C49 C50 65.71(14) . .
C43 C44 C49 K2 -67.72(12) . .
C45 C44 C49 K2 116.44(14) . .
O56 K2 C49 C50 13.49(12) 2_657 .
N21 K2 C49 C50 152.39(9) . .
C55 K2 C49 C50 -30.94(8) . .
C43 K2 C49 C50 -97.74(10) . .
C42 K2 C49 C50 -65.04(9) . .
C44 K2 C49 C50 -129.45(14) . .
Si1B K2 C49 C50 -179.02(8) . .
Si2 K2 C49 C50 135.65(8) . .
Si1A K2 C49 C50 -176.69(8) . .
K1 K2 C49 C50 92.79(10) . .
O56 K2 C49 C44 142.94(9) 2_657 .
N21 K2 C49 C44 -78.16(10) . .
C50 K2 C49 C44 129.45(14) . .
C55 K2 C49 C44 98.51(10) . .
C43 K2 C49 C44 31.71(9) . .
C42 K2 C49 C44 64.41(9) . .
Si1B K2 C49 C44 -49.57(10) . .
Si2 K2 C49 C44 -94.90(9) . .
Si1A K2 C49 C44 -47.24(11) . .
K1 K2 C49 C44 -137.76(8) . .
C44 C49 C50 C55 1.4(2) . .
K2 C49 C50 C55 67.83(12) . .
C44 C49 C50 C51 -179.49(14) . .
K2 C49 C50 C51 -113.11(13) . .
C44 C49 C50 K2 -66.38(14) . .
O56 K2 C50 C49 -170.77(8) 2_657 .
N21 K2 C50 C49 -39.43(12) . .
C55 K2 C50 C49 124.04(13) . .
C43 K2 C50 C49 59.88(9) . .
C42 K2 C50 C49 92.07(10) . .
C44 K2 C50 C49 27.48(8) . .
Si1B K2 C50 C49 1.50(12) . .
Si2 K2 C50 C49 -50.41(9) . .
Si1A K2 C50 C49 6.54(15) . .
K1 K2 C50 C49 -124.15(8) . .
O56 K2 C50 C55 65.18(9) 2_657 .
N21 K2 C50 C55 -163.47(9) . .
C49 K2 C50 C55 -124.04(13) . .
C43 K2 C50 C55 -64.16(9) . .
C42 K2 C50 C55 -31.97(8) . .
C44 K2 C50 C55 -96.57(9) . .
Si1B K2 C50 C55 -122.55(8) . .
Si2 K2 C50 C55 -174.45(7) . .
Si1A K2 C50 C55 -117.50(11) . .
K1 K2 C50 C55 111.81(8) . .
O56 K2 C50 C51 -52.10(12) 2_657 .
N21 K2 C50 C51 79.25(13) . .
C49 K2 C50 C51 118.68(15) . .
C55 K2 C50 C51 -117.28(15) . .
C43 K2 C50 C51 178.56(13) . .
C42 K2 C50 C51 -149.25(13) . .
C44 K2 C50 C51 146.15(13) . .
Si1B K2 C50 C51 120.17(10) . .
Si2 K2 C50 C51 68.27(11) . .
Si1A K2 C50 C51 125.22(11) . .
K1 K2 C50 C51 -5.47(13) . .
C49 C50 C51 C53 -122.43(17) . .
C55 C50 C51 C53 56.62(19) . .
K2 C50 C51 C53 146.62(12) . .
C49 C50 C51 C52 -2.5(2) . .
C55 C50 C51 C52 176.54(14) . .
K2 C50 C51 C52 -93.46(14) . .
C49 C50 C51 C54 116.08(16) . .
C55 C50 C51 C54 -64.87(19) . .
K2 C50 C51 C54 25.13(17) . .
C43 C42 C55 O56 176.92(13) . .
C41 C42 C55 O56 -7.4(2) 2_657 .
K2 C42 C55 O56 111.98(13) . .
C43 C42 C55 C50 -3.6(2) . .
C41 C42 C55 C50 172.07(13) 2_657 .
K2 C42 C55 C50 -68.56(11) . .
C43 C42 C55 K2 64.94(13) . .
C41 C42 C55 K2 -119.37(12) 2_657 .
C43 C42 C55 K1 -142.89(12) . 2_657
C41 C42 C55 K1 32.80(13) 2_657 2_657
K2 C42 C55 K1 152.18(5) . 2_657
C49 C50 C55 O56 -179.18(13) . .
C51 C50 C55 O56 1.7(2) . .
K2 C50 C55 O56 -111.18(13) . .
C49 C50 C55 C42 1.4(2) . .
C51 C50 C55 C42 -177.69(13) . .
K2 C50 C55 C42 69.37(11) . .
C49 C50 C55 K2 -68.00(12) . .
C51 C50 C55 K2 112.93(13) . .
C49 C50 C55 K1 128.15(12) . 2_657
C51 C50 C55 K1 -50.92(17) . 2_657
K2 C50 C55 K1 -163.85(9) . 2_657
O56 K2 C55 O56 -2.97(12) 2_657 .
N21 K2 C55 O56 161.38(14) . .
C50 K2 C55 O56 120.91(14) . .
C49 K2 C55 O56 150.92(12) . .
C43 K2 C55 O56 -146.16(12) . .
C42 K2 C55 O56 -118.03(14) . .
C44 K2 C55 O56 -177.55(12) . .
Si1B K2 C55 O56 -138.53(9) . .
Si2 K2 C55 O56 129.02(9) . .
Si1A K2 C55 O56 -111.50(11) . .
K1 K2 C55 O56 17.01(13) . .
O56 K2 C55 C42 115.06(9) 2_657 .
N21 K2 C55 C42 -80.59(18) . .
C50 K2 C55 C42 -121.06(13) . .
C49 K2 C55 C42 -91.05(10) . .
C43 K2 C55 C42 -28.13(8) . .
C44 K2 C55 C42 -59.52(9) . .
Si1B K2 C55 C42 -20.50(12) . .
Si2 K2 C55 C42 -112.95(8) . .
Si1A K2 C55 C42 6.54(14) . .
K1 K2 C55 C42 135.05(8) . .
O56 K2 C55 C50 -123.88(8) 2_657 .
N21 K2 C55 C50 40.5(2) . .
C49 K2 C55 C50 30.01(8) . .
C43 K2 C55 C50 92.93(10) . .
C42 K2 C55 C50 121.06(13) . .
C44 K2 C55 C50 61.54(9) . .
Si1B K2 C55 C50 100.56(10) . .
Si2 K2 C55 C50 8.11(11) . .
Si1A K2 C55 C50 127.59(9) . .
K1 K2 C55 C50 -103.90(9) . .
O56 K2 C55 K1 27.09(11) 2_657 2_657
N21 K2 C55 K1 -168.55(13) . 2_657
C50 K2 C55 K1 150.98(16) . 2_657
C49 K2 C55 K1 -179.01(13) . 2_657
C43 K2 C55 K1 -116.09(12) . 2_657
C42 K2 C55 K1 -87.96(13) . 2_657
C44 K2 C55 K1 -147.48(12) . 2_657
Si1B K2 C55 K1 -108.46(11) . 2_657
Si2 K2 C55 K1 159.09(7) . 2_657
Si1A K2 C55 K1 -81.43(14) . 2_657
K1 K2 C55 K1 47.08(13) . 2_657
C42 C55 O56 K2 -85.99(18) . 2_657
C50 C55 O56 K2 94.59(17) . 2_657
K2 C55 O56 K2 4.47(18) . 2_657
K1 C55 O56 K2 -155.66(18) 2_657 2_657
C42 C55 O56 K1 69.67(15) . 2_657
C50 C55 O56 K1 -109.75(13) . 2_657
K2 C55 O56 K1 160.12(4) . 2_657
C63 C61 C62 C63 0.3(5) 2_666 .
C61 C62 C63 C61 -0.3(5) . 2_666
