#------------------------------------------------------------------------------
#$Date: 2016-03-22 12:23:55 +0200 (Tue, 22 Mar 2016) $
#$Revision: 178948 $
#$URL: svn://www.crystallography.net/cod/cif/4/11/77/4117776.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_4117776
loop_
_publ_author_name
'Ming Fang'
'Joy H. Farnaby'
'Joseph W. Ziller'
'Jefferson E. Bates'
'Filipp Furche'
'William J. Evans'
_publ_section_title
;
 Isolation of (CO)1- and (CO2)1-Radical Complexes of Rare Earths via
 Ln(NR2)3/K Reduction and [K2(18-crown-6)2]2+ Oligomerization
;
_journal_name_full               'Journal of the American Chemical Society'
_journal_page_first              6064
_journal_page_last               6067
_journal_paper_doi               10.1021/ja211220r
_journal_volume                  134
_journal_year                    2012
_chemical_formula_sum            'C54 H138 K2 N6 O6 Si12 Y2'
_chemical_formula_weight         1560.80
_chemical_name_systematic
; 
 ? 
;
_space_group_IT_number           2
_symmetry_cell_setting           triclinic
_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_creation_method           SHELXTL
_cell_angle_alpha                92.9862(8)
_cell_angle_beta                 106.9520(7)
_cell_angle_gamma                109.3992(7)
_cell_formula_units_Z            1
_cell_length_a                   11.5505(7)
_cell_length_b                   14.5565(9)
_cell_length_c                   14.6670(9)
_cell_measurement_reflns_used    9003
_cell_measurement_temperature    153(2)
_cell_measurement_theta_max      28.23
_cell_measurement_theta_min      2.24
_cell_volume                     2194.4(2)
_computing_cell_refinement       'Bruker SMART APEX2/SAINT'
_computing_data_collection       'Bruker SMART APEX2'
_computing_data_reduction        'Bruker SAINT'
_computing_molecular_graphics    'Bruker SHELXTL'
_computing_publication_material  'Bruker SHELXTL'
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 2008)'
_computing_structure_solution    'SHELXS-97 (Sheldrick, 2008)'
_diffrn_ambient_temperature      153(2)
_diffrn_measured_fraction_theta_full 0.971
_diffrn_measured_fraction_theta_max 0.971
_diffrn_measurement_device_type  'Bruker SMART APEX II CCD'
_diffrn_measurement_method       'phi and omega'
_diffrn_radiation_monochromator  graphite
_diffrn_radiation_source         'fine-focus sealed tube'
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_reflns_av_R_equivalents  0.0155
_diffrn_reflns_av_sigmaI/netI    0.0185
_diffrn_reflns_limit_h_max       14
_diffrn_reflns_limit_h_min       -14
_diffrn_reflns_limit_k_max       18
_diffrn_reflns_limit_k_min       -18
_diffrn_reflns_limit_l_max       19
_diffrn_reflns_limit_l_min       -19
_diffrn_reflns_number            24981
_diffrn_reflns_theta_full        27.48
_diffrn_reflns_theta_max         27.48
_diffrn_reflns_theta_min         1.47
_exptl_absorpt_coefficient_mu    1.615
_exptl_absorpt_correction_T_max  0.6979
_exptl_absorpt_correction_T_min  0.5573
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   'Bruker SADABS'
_exptl_crystal_colour            colourless
_exptl_crystal_density_diffrn    1.181
_exptl_crystal_density_meas      ?
_exptl_crystal_description       irregular
_exptl_crystal_F_000             836
_exptl_crystal_size_max          0.41
_exptl_crystal_size_mid          0.41
_exptl_crystal_size_min          0.24
_refine_diff_density_max         1.802
_refine_diff_density_min         -1.143
_refine_diff_density_rms         0.071
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.049
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     372
_refine_ls_number_reflns         9772
_refine_ls_number_restraints     6
_refine_ls_restrained_S_all      1.051
_refine_ls_R_factor_all          0.0420
_refine_ls_R_factor_gt           0.0381
_refine_ls_shift/su_max          3.646
_refine_ls_shift/su_mean         0.069
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'calc w=1/[σ²(Fo²)+(0.0538P)²+2.5069P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1003
_refine_ls_wR_factor_ref         0.1028
_reflns_number_gt                8988
_reflns_number_total             9772
_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            ja211220r_si_006.cif
_cod_data_source_block           mf25
_cod_depositor_comments
;
The following automatic conversions were performed:

'_exptl_crystal_density_meas' value 'none' was changed to '?' - the
value is perceived as not measured.

Automatic conversion script
Id: cif_fix_values 3008 2015-01-20 13:52:24Z robertas 
;
_cod_database_code               4117776
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
Y1 Y 0.73155(2) 0.750154(16) 0.735140(15) 0.02038(7) Uani 1 1 d . . .
K1 K 0.35548(5) 0.37529(4) 0.57725(4) 0.02997(12) Uani 1 1 d . . .
Si1 Si 0.74235(6) 0.56736(5) 0.86725(5) 0.02351(13) Uani 1 1 d . . .
Si2 Si 0.98992(6) 0.74341(5) 0.92897(5) 0.02351(13) Uani 1 1 d . . .
Si3 Si 0.93879(6) 0.83532(5) 0.62120(5) 0.02454(14) Uani 1 1 d . . .
Si4 Si 0.86929(7) 0.99739(5) 0.70207(5) 0.02687(14) Uani 1 1 d . . .
Si5 Si 0.53451(6) 0.79108(5) 0.86545(5) 0.02294(13) Uani 1 1 d . . .
Si6 Si 0.43092(6) 0.73291(5) 0.64808(5) 0.02567(14) Uani 1 1 d . . .
O1 O 0.60169(16) 0.66254(13) 0.59421(12) 0.0270(4) Uani 1 1 d . . .
N1 N 0.83272(18) 0.68265(14) 0.85450(13) 0.0206(4) Uani 1 1 d . . .
N2 N 0.86084(19) 0.87754(14) 0.68622(14) 0.0237(4) Uani 1 1 d . . .
N3 N 0.55245(18) 0.76383(14) 0.75626(14) 0.0214(4) Uani 1 1 d . . .
C1 C 0.6968(3) 0.5610(2) 0.98041(19) 0.0366(6) Uani 1 1 d . . .
H1A H 0.6258 0.4981 0.9732 0.055 Uiso 1 1 calc R . .
H1B H 0.6685 0.6158 0.9916 0.055 Uiso 1 1 calc R . .
H1C H 0.7722 0.5657 1.0355 0.055 Uiso 1 1 calc R . .
C2 C 0.5840(3) 0.51901(19) 0.76445(18) 0.0306(5) Uani 1 1 d . . .
H2A H 0.6013 0.5165 0.7030 0.046 Uiso 1 1 calc R . .
H2B H 0.5357 0.5628 0.7658 0.046 Uiso 1 1 calc R . .
H2C H 0.5325 0.4525 0.7710 0.046 Uiso 1 1 calc R . .
C3 C 0.8216(3) 0.4750(2) 0.8631(3) 0.0461(7) Uani 1 1 d . . .
H3A H 0.7648 0.4106 0.8703 0.069 Uiso 1 1 calc R . .
H3B H 0.9047 0.4965 0.9158 0.069 Uiso 1 1 calc R . .
H3C H 0.8367 0.4693 0.8011 0.069 Uiso 1 1 calc R . .
C4 C 1.0165(3) 0.7224(2) 1.05726(18) 0.0334(6) Uani 1 1 d . . .
H4A H 0.9579 0.7433 1.0826 0.050 Uiso 1 1 calc R . .
H4B H 1.1067 0.7608 1.0965 0.050 Uiso 1 1 calc R . .
H4C H 0.9987 0.6521 1.0597 0.050 Uiso 1 1 calc R . .
C5 C 1.0389(3) 0.87979(19) 0.9314(2) 0.0349(6) Uani 1 1 d . . .
H5A H 0.9869 0.9046 0.9610 0.052 Uiso 1 1 calc R . .
H5B H 1.0243 0.8938 0.8652 0.052 Uiso 1 1 calc R . .
H5C H 1.1312 0.9123 0.9692 0.052 Uiso 1 1 calc R . .
C6 C 1.1126(3) 0.7060(3) 0.8920(2) 0.0435(7) Uani 1 1 d . . .
H6A H 1.1169 0.7275 0.8305 0.065 Uiso 1 1 calc R . .
H6B H 1.0869 0.6340 0.8846 0.065 Uiso 1 1 calc R . .
H6C H 1.1981 0.7369 0.9418 0.065 Uiso 1 1 calc R . .
C7 C 0.8803(3) 0.84610(19) 0.48963(19) 0.0350(6) Uani 1 1 d . . .
H7A H 0.9211 0.9144 0.4812 0.052 Uiso 1 1 calc R . .
H7B H 0.7857 0.8276 0.4675 0.052 Uiso 1 1 calc R . .
H7C H 0.9036 0.8020 0.4517 0.052 Uiso 1 1 calc R . .
C8 C 0.9075(3) 0.70062(19) 0.63097(18) 0.0291(5) Uani 1 1 d . . .
H8A H 0.9528 0.6755 0.5946 0.044 Uiso 1 1 calc R . .
H8B H 0.8140 0.6626 0.6043 0.044 Uiso 1 1 calc R . .
H8C H 0.9396 0.6941 0.6990 0.044 Uiso 1 1 calc R . .
C9 C 1.1200(3) 0.8962(2) 0.6645(2) 0.0396(6) Uani 1 1 d . . .
H9A H 1.1564 0.8617 0.6281 0.059 Uiso 1 1 calc R . .
H9B H 1.1542 0.8936 0.7334 0.059 Uiso 1 1 calc R . .
H9C H 1.1441 0.9652 0.6547 0.059 Uiso 1 1 calc R . .
C10 C 0.7824(3) 1.0125(2) 0.7876(2) 0.0372(6) Uani 1 1 d . . .
H10A H 0.6922 0.9660 0.7626 0.056 Uiso 1 1 calc R . .
H10B H 0.7836 1.0802 0.7942 0.056 Uiso 1 1 calc R . .
H10C H 0.8257 0.9993 0.8509 0.056 Uiso 1 1 calc R . .
C11 C 1.0396(3) 1.0895(2) 0.7545(2) 0.0394(6) Uani 1 1 d . . .
H11A H 1.0853 1.0909 0.7075 0.059 Uiso 1 1 calc R . .
H11B H 1.0851 1.0706 0.8136 0.059 Uiso 1 1 calc R . .
H11C H 1.0374 1.1551 0.7697 0.059 Uiso 1 1 calc R . .
C12 C 0.7936(3) 1.0378(2) 0.5876(2) 0.0428(7) Uani 1 1 d . . .
H12A H 0.7044 0.9913 0.5563 0.064 Uiso 1 1 calc R . .
H12B H 0.8442 1.0393 0.5441 0.064 Uiso 1 1 calc R . .
H12C H 0.7928 1.1039 0.6028 0.064 Uiso 1 1 calc R . .
C13 C 0.4275(3) 0.6809(2) 0.9010(2) 0.0326(5) Uani 1 1 d . . .
H13A H 0.4595 0.6266 0.8985 0.049 Uiso 1 1 calc R . .
H13B H 0.3384 0.6602 0.8563 0.049 Uiso 1 1 calc R . .
H13C H 0.4288 0.6982 0.9669 0.049 Uiso 1 1 calc R . .
C14 C 0.4642(3) 0.8900(2) 0.8676(2) 0.0374(6) Uani 1 1 d . . .
H14A H 0.5231 0.9515 0.8570 0.056 Uiso 1 1 calc R . .
H14B H 0.4529 0.9007 0.9305 0.056 Uiso 1 1 calc R . .
H14C H 0.3797 0.8695 0.8164 0.056 Uiso 1 1 calc R . .
C15 C 0.6949(3) 0.8358(2) 0.96474(18) 0.0315(5) Uani 1 1 d . . .
H15A H 0.7354 0.7863 0.9659 0.047 Uiso 1 1 calc R . .
H15B H 0.6816 0.8466 1.0268 0.047 Uiso 1 1 calc R . .
H15C H 0.7516 0.8980 0.9534 0.047 Uiso 1 1 calc R . .
C16 C 0.2624(2) 0.6661(2) 0.6496(2) 0.0368(6) Uani 1 1 d . . .
H16A H 0.2004 0.6541 0.5843 0.055 Uiso 1 1 calc R . .
H16B H 0.2417 0.7064 0.6935 0.055 Uiso 1 1 calc R . .
H16C H 0.2570 0.6029 0.6718 0.055 Uiso 1 1 calc R . .
C17 C 0.4270(3) 0.8415(2) 0.5865(2) 0.0390(6) Uani 1 1 d . . .
H17A H 0.3553 0.8196 0.5250 0.058 Uiso 1 1 calc R . .
H17B H 0.5094 0.8719 0.5743 0.058 Uiso 1 1 calc R . .
H17C H 0.4143 0.8898 0.6279 0.058 Uiso 1 1 calc R . .
C18 C 0.4723(2) 0.64671(17) 0.57021(17) 0.0256(5) Uani 1 1 d . . .
C19 C 0.3828(3) 0.5748(2) 0.49780(19) 0.0324(5) Uani 1 1 d . . .
H19A H 0.4116 0.5750 0.4405 0.039 Uiso 1 1 calc R . .
H19B H 0.2986 0.5845 0.4792 0.039 Uiso 1 1 calc R . .
O2 O 0.1626(2) 0.38709(18) 0.64287(14) 0.0440(5) Uani 1 1 d . . .
C20 C 0.1891(9) 0.4099(7) 0.7467(6) 0.030(2) Uiso 0.50 1 d P A 1
H20A H 0.2756 0.4624 0.7775 0.036 Uiso 0.50 1 calc PR A 1
H20B H 0.1870 0.3505 0.7771 0.036 Uiso 0.50 1 calc PR A 1
C21 C 0.0839(5) 0.4445(4) 0.7580(3) 0.0221(10) Uiso 0.50 1 d P A 1
H21A H 0.1015 0.5141 0.7488 0.026 Uiso 0.50 1 calc PR A 1
H21B H 0.0721 0.4366 0.8217 0.026 Uiso 0.50 1 calc PR A 1
C22 C -0.0365(6) 0.3713(5) 0.6732(4) 0.0406(13) Uiso 0.50 1 d P A 1
H22A H -0.0739 0.3070 0.6931 0.049 Uiso 0.50 1 calc PR A 1
H22B H -0.1049 0.3996 0.6509 0.049 Uiso 0.50 1 calc PR A 1
C23 C 0.0218(6) 0.3604(5) 0.5966(5) 0.0400(14) Uiso 0.50 1 d P A 1
H23A H -0.0177 0.2915 0.5621 0.048 Uiso 0.50 1 calc PR A 1
H23B H 0.0052 0.4043 0.5490 0.048 Uiso 0.50 1 calc PR A 1
C20B C 0.1734(9) 0.3917(7) 0.7403(7) 0.038(3) Uiso 0.50 1 d P A 2
H20C H 0.2519 0.4479 0.7799 0.046 Uiso 0.50 1 calc PR A 2
H20D H 0.1795 0.3300 0.7629 0.046 Uiso 0.50 1 calc PR A 2
C21B C 0.0552(9) 0.4049(7) 0.7478(6) 0.059(2) Uiso 0.50 1 d P A 2
H21C H -0.0044 0.3425 0.7581 0.071 Uiso 0.50 1 calc PR A 2
H21D H 0.0783 0.4567 0.8035 0.071 Uiso 0.50 1 calc PR A 2
C22B C -0.0075(7) 0.4333(5) 0.6595(5) 0.0459(14) Uiso 0.50 1 d P A 2
H22C H 0.0154 0.5058 0.6669 0.055 Uiso 0.50 1 calc PR A 2
H22D H -0.1031 0.4007 0.6397 0.055 Uiso 0.50 1 calc PR A 2
C23B C 0.0447(6) 0.3986(5) 0.5874(4) 0.0327(12) Uiso 0.50 1 d P A 2
H23C H -0.0186 0.3349 0.5475 0.039 Uiso 0.50 1 calc PR A 2
H23D H 0.0625 0.4477 0.5442 0.039 Uiso 0.50 1 calc PR A 2
O3 O 0.4431(2) 0.26222(16) 0.69482(16) 0.0479(5) Uani 1 1 d . . .
C24 C 0.419(2) 0.2318(13) 0.7769(14) 0.0683(8) Uiso 0.50 1 d PD A 1
H24A H 0.3267 0.2177 0.7700 0.082 Uiso 0.50 1 calc PR A 1
H24B H 0.4736 0.2844 0.8335 0.082 Uiso 0.50 1 calc PR A 1
C25 C 0.4501(10) 0.1405(7) 0.7911(7) 0.0683(8) Uiso 0.50 1 d PD A 1
H25A H 0.5269 0.1533 0.8492 0.082 Uiso 0.50 1 calc PR A 1
H25B H 0.3755 0.0863 0.7978 0.082 Uiso 0.50 1 calc PR A 1
C26 C 0.4769(9) 0.1164(7) 0.7035(6) 0.0683(8) Uiso 0.50 1 d PD A 1
H26A H 0.4014 0.0609 0.6594 0.082 Uiso 0.50 1 calc PR A 1
H26B H 0.5534 0.0964 0.7199 0.082 Uiso 0.50 1 calc PR A 1
C27 C 0.5021(12) 0.2041(8) 0.6563(8) 0.0683(8) Uiso 0.50 1 d PD A 1
H27A H 0.5966 0.2405 0.6724 0.082 Uiso 0.50 1 calc PR A 1
H27B H 0.4621 0.1857 0.5853 0.082 Uiso 0.50 1 calc PR A 1
C24B C 0.419(2) 0.2303(13) 0.7846(14) 0.0683(8) Uiso 0.50 1 d PD A 2
H24C H 0.3249 0.1949 0.7721 0.082 Uiso 0.50 1 calc PR A 2
H24D H 0.4504 0.2881 0.8361 0.082 Uiso 0.50 1 calc PR A 2
C25B C 0.4926(9) 0.1632(7) 0.8137(7) 0.0683(8) Uiso 0.50 1 d PD A 2
H25C H 0.5547 0.1880 0.8802 0.082 Uiso 0.50 1 calc PR A 2
H25D H 0.4320 0.0959 0.8118 0.082 Uiso 0.50 1 calc PR A 2
C26B C 0.5560(9) 0.1613(7) 0.7513(6) 0.0683(8) Uiso 0.50 1 d PD A 2
H26C H 0.5339 0.0919 0.7233 0.082 Uiso 0.50 1 calc PR A 2
H26D H 0.6507 0.1896 0.7864 0.082 Uiso 0.50 1 calc PR A 2
C27B C 0.5253(12) 0.2161(9) 0.6736(8) 0.0683(8) Uiso 0.50 1 d PD A 2
H27C H 0.6056 0.2663 0.6701 0.082 Uiso 0.50 1 calc PR A 2
H27D H 0.4802 0.1709 0.6109 0.082 Uiso 0.50 1 calc PR A 2
loop_
_atom_type_symbol
_atom_type_description
_atom_type_scat_dispersion_real
_atom_type_scat_dispersion_imag
_atom_type_scat_source
C C 0.0033 0.0016 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
H H 0.0000 0.0000 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
N N 0.0061 0.0033 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
O O 0.0106 0.0060 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Si Si 0.0817 0.0704 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
K K 0.2009 0.2494 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Y Y -2.7962 3.5667 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
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
O1 Y1 N3 85.78(7) . .
O1 Y1 N2 99.62(7) . .
N3 Y1 N2 117.64(7) . .
O1 Y1 N1 122.00(7) . .
N3 Y1 N1 111.57(7) . .
N2 Y1 N1 116.52(7) . .
O3 K1 O2 99.94(7) . .
O3 K1 O1 106.96(6) . 2_666
O2 K1 O1 140.18(6) . 2_666
O3 K1 C19 153.04(7) . .
O2 K1 C19 91.17(7) . .
O1 K1 C19 77.92(6) 2_666 .
O3 K1 C7 74.84(7) . 2_666
O2 K1 C7 73.06(7) . 2_666
O1 K1 C7 86.13(6) 2_666 2_666
C19 K1 C7 132.10(7) . 2_666
O3 K1 C19 89.87(7) . 2_666
O2 K1 C19 165.05(7) . 2_666
O1 K1 C19 43.88(6) 2_666 2_666
C19 K1 C19 75.31(8) . 2_666
C7 K1 C19 120.80(7) 2_666 2_666
O3 K1 C18 93.23(7) . 2_666
O2 K1 C18 162.66(6) . 2_666
O1 K1 C18 22.67(5) 2_666 2_666
C19 K1 C18 81.86(6) . 2_666
C7 K1 C18 99.93(6) 2_666 2_666
C19 K1 C18 22.90(6) 2_666 2_666
O3 K1 C8 127.35(7) . 2_666
O2 K1 C8 77.99(6) . 2_666
O1 K1 C8 62.41(6) 2_666 2_666
C19 K1 C8 78.86(7) . 2_666
C7 K1 C8 53.95(6) 2_666 2_666
C19 K1 C8 105.03(6) 2_666 2_666
C18 K1 C8 85.08(6) 2_666 2_666
O3 K1 Y1 110.46(5) . 2_666
O2 K1 Y1 120.91(5) . 2_666
O1 K1 Y1 20.96(4) 2_666 2_666
C19 K1 Y1 83.78(5) . 2_666
C7 K1 Y1 68.18(4) 2_666 2_666
C19 K1 Y1 64.77(4) 2_666 2_666
C18 K1 Y1 42.78(4) 2_666 2_666
C8 K1 Y1 43.21(4) 2_666 2_666
N1 Si1 C3 113.50(13) . .
N1 Si1 C1 115.24(11) . .
C3 Si1 C1 106.53(15) . .
N1 Si1 C2 109.25(10) . .
C3 Si1 C2 106.13(14) . .
C1 Si1 C2 105.52(13) . .
N1 Si1 Y1 37.02(6) . .
C3 Si1 Y1 129.84(11) . .
C1 Si1 Y1 122.43(10) . .
C2 Si1 Y1 72.52(8) . .
N1 Si2 C5 110.88(11) . .
N1 Si2 C4 113.30(11) . .
C5 Si2 C4 106.90(12) . .
N1 Si2 C6 113.83(12) . .
C5 Si2 C6 106.53(15) . .
C4 Si2 C6 104.85(14) . .
N2 Si3 C9 115.54(12) . .
N2 Si3 C7 112.24(12) . .
C9 Si3 C7 106.91(14) . .
N2 Si3 C8 108.51(11) . .
C9 Si3 C8 104.65(13) . .
C7 Si3 C8 108.56(12) . .
N2 Si3 Y1 40.65(7) . .
C9 Si3 Y1 132.11(10) . .
C7 Si3 Y1 120.42(10) . .
C8 Si3 Y1 68.29(8) . .
N2 Si4 C10 109.51(11) . .
N2 Si4 C12 113.67(13) . .
C10 Si4 C12 107.10(14) . .
N2 Si4 C11 113.55(12) . .
C10 Si4 C11 106.67(14) . .
C12 Si4 C11 105.90(14) . .
N3 Si5 C15 110.89(11) . .
N3 Si5 C13 112.64(11) . .
C15 Si5 C13 106.09(12) . .
N3 Si5 C14 112.95(12) . .
C15 Si5 C14 106.79(13) . .
C13 Si5 C14 107.07(13) . .
N3 Si6 C17 112.85(12) . .
N3 Si6 C16 116.45(12) . .
C17 Si6 C16 106.99(14) . .
N3 Si6 C18 104.49(10) . .
C17 Si6 C18 107.83(12) . .
C16 Si6 C18 107.84(12) . .
N3 Si6 Y1 40.62(7) . .
C17 Si6 Y1 108.19(10) . .
C16 Si6 Y1 144.07(10) . .
C18 Si6 Y1 67.64(8) . .
C18 O1 Y1 118.16(14) . .
C18 O1 K1 106.13(13) . 2_666
Y1 O1 K1 132.21(7) . 2_666
Si1 N1 Si2 121.55(11) . .
Si1 N1 Y1 115.98(10) . .
Si2 N1 Y1 122.47(10) . .
Si3 N2 Si4 124.32(12) . .
Si3 N2 Y1 109.92(10) . .
Si4 N2 Y1 125.51(11) . .
Si6 N3 Si5 124.25(12) . .
Si6 N3 Y1 109.85(9) . .
Si5 N3 Y1 125.69(10) . .
C19 C18 O1 121.4(2) . .
C19 C18 Si6 123.9(2) . .
O1 C18 Si6 114.70(17) . .
C19 C18 K1 77.59(16) . 2_666
O1 C18 K1 51.20(11) . 2_666
Si6 C18 K1 147.50(11) . 2_666
C18 C19 K1 106.16(17) . .
C20B O2 C23B 110.8(5) . .
C20B O2 C20 10.1(6) . .
C23B O2 C20 112.0(4) . .
C20B O2 C23 101.6(5) . .
C23B O2 C23 22.6(3) . .
C20 O2 C23 106.6(4) . .
C20B O2 K1 122.3(4) . .
C23B O2 K1 126.7(3) . .
C20 O2 K1 119.3(4) . .
C23 O2 K1 133.3(3) . .
O2 C20 C21 106.2(6) . .
C20 C21 C22 100.1(5) . .
C23 C22 C21 102.5(5) . .
O2 C23 C22 108.5(5) . .
O2 C20B C21B 106.2(7) . .
C22B C21B C20B 108.5(7) . .
C21B C22B C23B 103.7(6) . .
O2 C23B C22B 106.1(4) . .
C24 O3 C27B 107.4(7) . .
C24 O3 C27 111.3(7) . .
C27B O3 C27 12.1(8) . .
C24 O3 C24B 0.8(19) . .
C27B O3 C24B 107.3(6) . .
C27 O3 C24B 111.3(6) . .
C24 O3 K1 132.0(6) . .
C27B O3 K1 120.5(4) . .
C27 O3 K1 115.1(4) . .
C24B O3 K1 132.1(5) . .
O3 C24 C25 108.4(10) . .
C26 C25 C24 103.7(9) . .
C25 C26 C27 108.5(8) . .
O3 C27 C26 103.9(8) . .
O3 C24B C25B 105.7(10) . .
C26B C25B C24B 107.3(9) . .
C25B C26B C27B 112.8(9) . .
O3 C27B C26B 106.7(8) . .
loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_site_symmetry_2
Y1 O1 2.1899(17) .
Y1 N3 2.2486(19) .
Y1 N2 2.2599(19) .
Y1 N1 2.2682(18) .
K1 O3 2.663(2) .
K1 O2 2.721(2) .
K1 O1 2.7630(17) 2_666
K1 C19 3.139(3) .
K1 C7 3.323(3) 2_666
K1 C19 3.383(3) 2_666
K1 C18 3.406(2) 2_666
K1 C8 3.433(3) 2_666
K1 Y1 4.5344(6) 2_666
Si1 N1 1.710(2) .
Si1 C3 1.868(3) .
Si1 C1 1.880(3) .
Si1 C2 1.882(3) .
Si2 N1 1.717(2) .
Si2 C5 1.870(3) .
Si2 C4 1.875(3) .
Si2 C6 1.879(3) .
Si3 N2 1.704(2) .
Si3 C9 1.871(3) .
Si3 C7 1.883(3) .
Si3 C8 1.893(3) .
Si4 N2 1.714(2) .
Si4 C10 1.866(3) .
Si4 C12 1.875(3) .
Si4 C11 1.875(3) .
Si5 N3 1.717(2) .
Si5 C15 1.872(3) .
Si5 C13 1.876(3) .
Si5 C14 1.877(3) .
Si6 N3 1.702(2) .
Si6 C17 1.867(3) .
Si6 C16 1.872(3) .
Si6 C18 1.917(3) .
O1 C18 1.367(3) .
O1 K1 2.7630(17) 2_666
C18 C19 1.348(4) .
C18 K1 3.406(2) 2_666
O2 C20B 1.393(10) .
O2 C23B 1.437(6) .
O2 C20 1.460(9) .
O2 C23 1.472(7) .
C20 C21 1.507(10) .
C21 C22 1.577(8) .
C22 C23 1.495(9) .
C20B C21B 1.476(13) .
C21B C22B 1.443(11) .
C22B C23B 1.502(9) .
O3 C24 1.375(19) .
O3 C27B 1.422(13) .
O3 C27 1.434(13) .
O3 C24B 1.490(19) .
C24 C25 1.496(12) .
C25 C26 1.458(10) .
C26 C27 1.468(11) .
C24B C25B 1.499(12) .
C25B C26B 1.333(10) .
C26B C27B 1.452(11) .
