#------------------------------------------------------------------------------
#$Date: 2016-02-16 22:30:59 +0200 (Tue, 16 Feb 2016) $
#$Revision: 176467 $
#$URL: svn://www.crystallography.net/cod/cif/4/10/48/4104821.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_4104821
loop_
_publ_author_name
'William J. Evans'
'Ming Fang'
'Gaël Zucchi'
'Filipp Furche'
'Joseph W. Ziller'
'Ryan M. Hoekstra'
'Jeffrey I. Zink'
_publ_section_title
;
 Isolation of Dysprosium and Yttrium Complexes of a Three-Electron
 Reduction Product in the Activation of Dinitrogen, the (N2)3- Radical
;
_journal_name_full               'Journal of the American Chemical Society'
_journal_page_first              11195
_journal_page_last               11202
_journal_paper_doi               10.1021/ja9036753
_journal_volume                  131
_journal_year                    2009
_chemical_formula_sum            'C35.5 H92 K N6 O2 Si8 Y2'
_chemical_formula_weight         1076.79
_chemical_name_systematic
; 
 ? 
;
_space_group_IT_number           14
_symmetry_cell_setting           monoclinic
_symmetry_space_group_name_Hall  '-P 2yn'
_symmetry_space_group_name_H-M   'P 1 21/n 1'
_atom_sites_solution_hydrogens   geom
_atom_sites_solution_primary     direct
_atom_sites_solution_secondary   difmap
_audit_creation_method           SHELXTL
_cell_angle_alpha                90.00
_cell_angle_beta                 105.071(3)
_cell_angle_gamma                90.00
_cell_formula_units_Z            4
_cell_length_a                   12.481(3)
_cell_length_b                   21.371(5)
_cell_length_c                   22.304(5)
_cell_measurement_reflns_used    9868
_cell_measurement_temperature    103(2)
_cell_measurement_theta_max      28.09
_cell_measurement_theta_min      2.34
_cell_volume                     5745(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  'Bruker SHELXTL'
_computing_structure_solution    'Bruker SHELXTL'
_diffrn_ambient_temperature      103(2)
_diffrn_measured_fraction_theta_full 0.999
_diffrn_measured_fraction_theta_max 0.999
_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  0.0707
_diffrn_reflns_av_sigmaI/netI    0.0557
_diffrn_reflns_limit_h_max       15
_diffrn_reflns_limit_h_min       -15
_diffrn_reflns_limit_k_max       27
_diffrn_reflns_limit_k_min       -27
_diffrn_reflns_limit_l_max       28
_diffrn_reflns_limit_l_min       -28
_diffrn_reflns_number            65005
_diffrn_reflns_theta_full        27.10
_diffrn_reflns_theta_max         27.10
_diffrn_reflns_theta_min         1.71
_exptl_absorpt_coefficient_mu    2.282
_exptl_absorpt_correction_T_max  0.8944
_exptl_absorpt_correction_T_min  0.6457
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   'Bruker SADABS'
_exptl_crystal_colour            yellow
_exptl_crystal_density_diffrn    1.245
_exptl_crystal_density_meas      ?
_exptl_crystal_description       plate
_exptl_crystal_F_000             2288
_exptl_crystal_size_max          0.21
_exptl_crystal_size_mid          0.20
_exptl_crystal_size_min          0.05
_refine_diff_density_max         1.437
_refine_diff_density_min         -0.526
_refine_diff_density_rms         0.089
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.015
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     504
_refine_ls_number_reflns         12646
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      1.015
_refine_ls_R_factor_all          0.0646
_refine_ls_R_factor_gt           0.0372
_refine_ls_shift/su_max          0.002
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'calc w=1/[σ²(Fo²)+(0.0364P)²+6.1800P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0808
_refine_ls_wR_factor_ref         0.0910
_reflns_number_gt                9448
_reflns_number_total             12646
_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            ja9036753_si_006.cif
_cod_data_source_block           mf8
_cod_depositor_comments
;
The following automatic conversions were performed:

'_exptl_crystal_density_meas' value 'n/a' 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_original_cell_volume        5744(2)
_cod_original_formula_sum        'C35.50 H92 K N6 O2 Si8 Y2'
_cod_database_code               4104821
loop_
_symmetry_equiv_pos_as_xyz
'x, y, z'
'-x+1/2, y+1/2, -z+1/2'
'-x, -y, -z'
'x-1/2, -y-1/2, z-1/2'
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
Y1 Y 0.18134(2) 0.659983(13) 0.396577(12) 0.01226(7) Uani 1 1 d .
Y2 Y -0.07963(2) 0.771618(13) 0.424654(12) 0.01194(7) Uani 1 1 d .
K1 K 0.14841(5) 0.70739(3) 0.55074(3) 0.01839(14) Uani 1 1 d .
Si1 Si 0.25468(7) 0.55523(4) 0.29354(4) 0.01919(19) Uani 1 1 d .
Si2 Si 0.02330(7) 0.60529(4) 0.25396(4) 0.01862(19) Uani 1 1 d .
Si3 Si 0.24254(7) 0.55665(4) 0.50918(4) 0.01432(17) Uani 1 1 d .
Si4 Si 0.41659(7) 0.66160(4) 0.53093(4) 0.01514(17) Uani 1 1 d .
Si5 Si -0.27527(7) 0.88289(4) 0.36698(4) 0.01574(18) Uani 1 1 d .
Si6 Si -0.11814(7) 0.86831(4) 0.28809(4) 0.01532(18) Uani 1 1 d .
Si7 Si -0.10993(7) 0.75175(4) 0.57900(4) 0.01673(18) Uani 1 1 d .
Si8 Si 0.02390(7) 0.86096(4) 0.55060(4) 0.01553(18) Uani 1 1 d .
O1 O 0.28959(17) 0.73667(10) 0.36132(9) 0.0191(5) Uani 1 1 d .
O2 O -0.22457(16) 0.69764(9) 0.37904(9) 0.0175(5) Uani 1 1 d .
N1 N 0.1539(2) 0.60508(11) 0.30367(11) 0.0159(5) Uani 1 1 d .
N2 N 0.2919(2) 0.62822(11) 0.49343(11) 0.0146(5) Uani 1 1 d .
N3 N -0.16216(19) 0.84712(11) 0.35180(11) 0.0142(5) Uani 1 1 d .
N4 N -0.04847(19) 0.79198(11) 0.53039(11) 0.0138(5) Uani 1 1 d .
N5 N 0.0289(2) 0.68789(11) 0.42393(11) 0.0150(5) Uani 1 1 d .
N6 N 0.0904(2) 0.74244(11) 0.42138(11) 0.0139(5) Uani 1 1 d .
C1 C 0.2174(3) 0.46984(16) 0.29356(18) 0.0333(9) Uani 1 1 d .
H1A H 0.1551 0.4608 0.2576 0.050 Uiso 1 1 calc R
H1B H 0.1962 0.4599 0.3318 0.050 Uiso 1 1 calc R
H1C H 0.2815 0.4444 0.2913 0.050 Uiso 1 1 calc R
C2 C 0.3030(3) 0.56839(19) 0.22119(15) 0.0340(9) Uani 1 1 d .
H2A H 0.2444 0.5558 0.1847 0.051 Uiso 1 1 calc R
H2B H 0.3698 0.5434 0.2234 0.051 Uiso 1 1 calc R
H2C H 0.3200 0.6128 0.2179 0.051 Uiso 1 1 calc R
C3 C 0.3839(3) 0.56687(16) 0.35820(14) 0.0224(7) Uani 1 1 d .
H3A H 0.3661 0.5624 0.3983 0.034 Uiso 1 1 calc R
H3B H 0.4138 0.6088 0.3551 0.034 Uiso 1 1 calc R
H3C H 0.4393 0.5355 0.3549 0.034 Uiso 1 1 calc R
C4 C 0.0186(3) 0.5925(2) 0.16999(15) 0.0365(9) Uani 1 1 d .
H4A H 0.0447 0.5502 0.1645 0.055 Uiso 1 1 calc R
H4B H 0.0666 0.6232 0.1571 0.055 Uiso 1 1 calc R
H4C H -0.0577 0.5976 0.1446 0.055 Uiso 1 1 calc R
C5 C -0.0462(3) 0.68278(16) 0.25626(15) 0.0254(7) Uani 1 1 d .
H5A H -0.0493 0.6917 0.2989 0.038 Uiso 1 1 calc R
H5B H -0.1217 0.6814 0.2290 0.038 Uiso 1 1 calc R
H5C H -0.0039 0.7157 0.2421 0.038 Uiso 1 1 calc R
C6 C -0.0685(3) 0.54368(16) 0.27427(17) 0.0301(8) Uani 1 1 d .
H6A H -0.0676 0.5475 0.3182 0.045 Uiso 1 1 calc R
H6B H -0.0414 0.5022 0.2667 0.045 Uiso 1 1 calc R
H6C H -0.1446 0.5492 0.2486 0.045 Uiso 1 1 calc R
C7 C 0.1898(3) 0.55497(15) 0.58112(14) 0.0218(7) Uani 1 1 d .
H7A H 0.2488 0.5687 0.6169 0.033 Uiso 1 1 calc R
H7B H 0.1673 0.5123 0.5882 0.033 Uiso 1 1 calc R
H7C H 0.1259 0.5831 0.5756 0.033 Uiso 1 1 calc R
C8 C 0.3425(3) 0.48980(15) 0.51612(15) 0.0239(7) Uani 1 1 d .
H8A H 0.3741 0.4898 0.4802 0.036 Uiso 1 1 calc R
H8B H 0.3034 0.4503 0.5175 0.036 Uiso 1 1 calc R
H8C H 0.4022 0.4945 0.5543 0.036 Uiso 1 1 calc R
C9 C 0.1179(3) 0.53493(14) 0.44426(14) 0.0202(7) Uani 1 1 d .
H9A H 0.1397 0.5320 0.4052 0.030 Uiso 1 1 calc R
H9B H 0.0604 0.5671 0.4404 0.030 Uiso 1 1 calc R
H9C H 0.0887 0.4945 0.4535 0.030 Uiso 1 1 calc R
C10 C 0.5002(3) 0.61635(16) 0.59908(14) 0.0230(7) Uani 1 1 d .
H10A H 0.5297 0.5785 0.5844 0.035 Uiso 1 1 calc R
H10B H 0.4528 0.6046 0.6261 0.035 Uiso 1 1 calc R
H10C H 0.5617 0.6423 0.6224 0.035 Uiso 1 1 calc R
C11 C 0.5111(3) 0.67458(15) 0.47846(14) 0.0202(7) Uani 1 1 d .
H11A H 0.5352 0.6341 0.4660 0.030 Uiso 1 1 calc R
H11B H 0.5762 0.6987 0.5007 0.030 Uiso 1 1 calc R
H11C H 0.4712 0.6977 0.4415 0.030 Uiso 1 1 calc R
C12 C 0.3966(3) 0.74188(15) 0.56215(15) 0.0227(7) Uani 1 1 d .
H12A H 0.3692 0.7375 0.5993 0.034 Uiso 1 1 calc R
H12B H 0.3425 0.7655 0.5305 0.034 Uiso 1 1 calc R
H12C H 0.4676 0.7642 0.5728 0.034 Uiso 1 1 calc R
C13 C -0.2523(3) 0.96690(15) 0.39347(15) 0.0244(7) Uani 1 1 d .
H13A H -0.2395 0.9926 0.3596 0.037 Uiso 1 1 calc R
H13B H -0.1876 0.9694 0.4294 0.037 Uiso 1 1 calc R
H13C H -0.3180 0.9823 0.4052 0.037 Uiso 1 1 calc R
C14 C -0.4013(2) 0.88243(15) 0.29878(14) 0.0199(7) Uani 1 1 d .
H14A H -0.4264 0.8392 0.2892 0.030 Uiso 1 1 calc R
H14B H -0.3825 0.9010 0.2627 0.030 Uiso 1 1 calc R
H14C H -0.4607 0.9068 0.3090 0.030 Uiso 1 1 calc R
C15 C -0.3137(3) 0.84113(16) 0.43325(14) 0.0229(7) Uani 1 1 d .
H15A H -0.3249 0.7965 0.4234 0.034 Uiso 1 1 calc R
H15B H -0.3823 0.8591 0.4394 0.034 Uiso 1 1 calc R
H15C H -0.2538 0.8462 0.4713 0.034 Uiso 1 1 calc R
C16 C -0.1990(3) 0.82692(15) 0.21559(14) 0.0207(7) Uani 1 1 d .
H16A H -0.2000 0.7819 0.2236 0.031 Uiso 1 1 calc R
H16B H -0.1636 0.8345 0.1818 0.031 Uiso 1 1 calc R
H16C H -0.2752 0.8429 0.2037 0.031 Uiso 1 1 calc R
C17 C -0.1318(3) 0.95434(15) 0.26743(15) 0.0225(7) Uani 1 1 d .
H17A H -0.0935 0.9792 0.3036 0.034 Uiso 1 1 calc R
H17B H -0.2105 0.9659 0.2551 0.034 Uiso 1 1 calc R
H17C H -0.0985 0.9625 0.2330 0.034 Uiso 1 1 calc R
C18 C 0.0332(2) 0.85166(16) 0.29896(15) 0.0219(7) Uani 1 1 d .
H18A H 0.0489 0.8082 0.3124 0.033 Uiso 1 1 calc R
H18B H 0.0772 0.8799 0.3306 0.033 Uiso 1 1 calc R
H18C H 0.0527 0.8582 0.2596 0.033 Uiso 1 1 calc R
C19 C -0.0144(3) 0.7391(2) 0.65882(16) 0.0407(10) Uani 1 1 d .
H19A H 0.0543 0.7193 0.6551 0.061 Uiso 1 1 calc R
H19B H -0.0509 0.7120 0.6830 0.061 Uiso 1 1 calc R
H19C H 0.0029 0.7795 0.6799 0.061 Uiso 1 1 calc R
C20 C -0.1537(3) 0.67235(15) 0.54573(17) 0.0299(8) Uani 1 1 d .
H20A H -0.2125 0.6769 0.5071 0.045 Uiso 1 1 calc R
H20B H -0.1816 0.6478 0.5756 0.045 Uiso 1 1 calc R
H20C H -0.0900 0.6509 0.5371 0.045 Uiso 1 1 calc R
C21 C -0.2374(3) 0.78815(16) 0.59423(15) 0.0253(7) Uani 1 1 d .
H21A H -0.2957 0.7910 0.5552 0.038 Uiso 1 1 calc R
H21B H -0.2195 0.8302 0.6115 0.038 Uiso 1 1 calc R
H21C H -0.2635 0.7623 0.6239 0.038 Uiso 1 1 calc R
C22 C 0.1639(3) 0.85027(15) 0.60801(15) 0.0243(7) Uani 1 1 d .
H22A H 0.1556 0.8238 0.6424 0.036 Uiso 1 1 calc R
H22B H 0.1933 0.8912 0.6242 0.036 Uiso 1 1 calc R
H22C H 0.2151 0.8303 0.5872 0.036 Uiso 1 1 calc R
C23 C -0.0525(3) 0.92108(16) 0.58471(16) 0.0266(8) Uani 1 1 d .
H23A H -0.1259 0.9282 0.5564 0.040 Uiso 1 1 calc R
H23B H -0.0105 0.9603 0.5908 0.040 Uiso 1 1 calc R
H23C H -0.0611 0.9061 0.6247 0.040 Uiso 1 1 calc R
C24 C 0.0564(3) 0.89622(15) 0.47977(14) 0.0215(7) Uani 1 1 d .
H24A H -0.0130 0.9061 0.4488 0.032 Uiso 1 1 calc R
H24B H 0.0994 0.8663 0.4622 0.032 Uiso 1 1 calc R
H24C H 0.0997 0.9346 0.4915 0.032 Uiso 1 1 calc R
C25 C 0.3255(3) 0.73734(16) 0.30441(15) 0.0250(7) Uani 1 1 d .
H25A H 0.2819 0.7073 0.2738 0.030 Uiso 1 1 calc R
H25B H 0.4052 0.7266 0.3128 0.030 Uiso 1 1 calc R
C26 C 0.3048(3) 0.80383(16) 0.28087(15) 0.0267(8) Uani 1 1 d .
H26A H 0.2261 0.8101 0.2582 0.032 Uiso 1 1 calc R
H26B H 0.3525 0.8148 0.2533 0.032 Uiso 1 1 calc R
C27 C 0.3351(3) 0.84213(17) 0.34028(16) 0.0320(8) Uani 1 1 d .
H27A H 0.2904 0.8809 0.3357 0.038 Uiso 1 1 calc R
H27B H 0.4147 0.8534 0.3514 0.038 Uiso 1 1 calc R
C28 C 0.3086(3) 0.79921(14) 0.38936(15) 0.0211(7) Uani 1 1 d .
H28A H 0.3715 0.7983 0.4271 0.025 Uiso 1 1 calc R
H28B H 0.2416 0.8141 0.4010 0.025 Uiso 1 1 calc R
C29 C -0.3260(3) 0.71024(15) 0.33044(16) 0.0266(8) Uani 1 1 d .
H29A H -0.3144 0.7451 0.3036 0.032 Uiso 1 1 calc R
H29B H -0.3875 0.7214 0.3489 0.032 Uiso 1 1 calc R
C30 C -0.3522(3) 0.65047(15) 0.29335(15) 0.0262(8) Uani 1 1 d .
H30A H -0.3126 0.6485 0.2603 0.031 Uiso 1 1 calc R
H30B H -0.4329 0.6461 0.2745 0.031 Uiso 1 1 calc R
C31 C -0.3100(3) 0.60084(15) 0.34272(15) 0.0228(7) Uani 1 1 d .
H31A H -0.3638 0.5933 0.3676 0.027 Uiso 1 1 calc R
H31B H -0.2949 0.5609 0.3239 0.027 Uiso 1 1 calc R
C32 C -0.2046(3) 0.62982(14) 0.38152(15) 0.0215(7) Uani 1 1 d .
H32A H -0.1883 0.6145 0.4249 0.026 Uiso 1 1 calc R
H32B H -0.1412 0.6194 0.3644 0.026 Uiso 1 1 calc R
C33 C 0.3331(6) 0.9838(3) 0.4583(3) 0.0308(16) Uiso 0.50 1 d P
C34 C 0.3767(4) 0.9265(2) 0.4887(2) 0.0631(14) Uiso 1 1 d .
C35 C 0.4796(7) 0.9166(4) 0.5130(4) 0.0406(19) Uiso 0.50 1 d P
C36 C 0.5699(4) 0.9641(2) 0.5261(2) 0.0643(14) Uiso 1 1 d .
C37 C 0.4774(8) 0.9769(4) 0.5039(4) 0.053(2) Uiso 0.50 1 d P
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
N5 Y1 N6 36.67(9) . .
N5 Y1 N1 116.15(9) . .
N6 Y1 N1 130.48(9) . .
N5 Y1 N2 99.52(9) . .
N6 Y1 N2 102.41(9) . .
N1 Y1 N2 126.17(9) . .
N5 Y1 O1 120.30(8) . .
N6 Y1 O1 84.70(8) . .
N1 Y1 O1 91.02(8) . .
N2 Y1 O1 104.79(8) . .
N6 Y2 N5 36.57(8) . .
N6 Y2 N4 100.11(8) . .
N5 Y2 N4 102.35(8) . .
N6 Y2 N3 114.97(9) . .
N5 Y2 N3 134.76(9) . .
N4 Y2 N3 120.24(8) . .
N6 Y2 O2 114.67(8) . .
N5 Y2 O2 82.11(8) . .
N4 Y2 O2 117.24(8) . .
N3 Y2 O2 90.73(8) . .
N5 K1 N6 28.29(7) . .
N5 K1 N2 73.18(7) . .
N6 K1 N2 74.99(7) . .
N5 K1 N4 75.02(7) . .
N6 K1 N4 73.05(7) . .
N2 K1 N4 147.10(7) . .
N1 Si1 C3 109.31(14) . .
N1 Si1 C1 114.46(15) . .
C3 Si1 C1 106.91(16) . .
N1 Si1 C2 115.53(15) . .
C3 Si1 C2 103.59(16) . .
C1 Si1 C2 106.19(18) . .
N1 Si2 C5 110.65(14) . .
N1 Si2 C6 112.28(15) . .
C5 Si2 C6 107.28(16) . .
N1 Si2 C4 114.94(15) . .
C5 Si2 C4 105.12(16) . .
C6 Si2 C4 106.04(17) . .
N2 Si3 C8 115.39(14) . .
N2 Si3 C7 114.43(13) . .
C8 Si3 C7 106.67(15) . .
N2 Si3 C9 109.25(13) . .
C8 Si3 C9 105.89(15) . .
C7 Si3 C9 104.32(15) . .
N2 Si3 Y1 43.05(8) . .
C8 Si3 Y1 126.37(11) . .
C7 Si3 Y1 126.90(11) . .
C9 Si3 Y1 66.23(10) . .
N2 Si3 K1 54.52(9) . .
C8 Si3 K1 155.07(11) . .
C7 Si3 K1 65.93(10) . .
C9 Si3 K1 99.04(10) . .
Y1 Si3 K1 64.66(2) . .
N2 Si4 C10 115.04(14) . .
N2 Si4 C11 113.12(13) . .
C10 Si4 C11 105.86(15) . .
N2 Si4 C12 111.45(13) . .
C10 Si4 C12 105.56(15) . .
C11 Si4 C12 105.01(14) . .
N2 Si4 K1 54.75(9) . .
C10 Si4 K1 112.18(11) . .
C11 Si4 K1 141.53(10) . .
C12 Si4 K1 59.71(10) . .
N3 Si5 C14 113.33(13) . .
N3 Si5 C13 114.83(14) . .
C14 Si5 C13 106.54(15) . .
N3 Si5 C15 109.45(13) . .
C14 Si5 C15 107.49(14) . .
C13 Si5 C15 104.63(15) . .
N3 Si5 Y2 38.60(8) . .
C14 Si5 Y2 131.82(11) . .
C13 Si5 Y2 120.61(11) . .
C15 Si5 Y2 71.26(10) . .
N3 Si6 C18 111.86(13) . .
N3 Si6 C16 111.81(13) . .
C18 Si6 C16 108.52(15) . .
N3 Si6 C17 115.53(13) . .
C18 Si6 C17 103.88(15) . .
C16 Si6 C17 104.61(14) . .
N4 Si7 C20 109.63(14) . .
N4 Si7 C21 116.49(14) . .
C20 Si7 C21 105.81(16) . .
N4 Si7 C19 113.07(15) . .
C20 Si7 C19 106.96(19) . .
C21 Si7 C19 104.21(17) . .
N4 Si7 K1 56.50(8) . .
C20 Si7 K1 82.74(11) . .
C21 Si7 K1 170.92(11) . .
C19 Si7 K1 75.56(12) . .
N4 Si8 C23 113.85(14) . .
N4 Si8 C24 109.51(13) . .
C23 Si8 C24 107.99(15) . .
N4 Si8 C22 113.69(13) . .
C23 Si8 C22 106.60(15) . .
C24 Si8 C22 104.67(15) . .
N4 Si8 Y2 40.19(8) . .
C23 Si8 Y2 127.02(11) . .
C24 Si8 Y2 69.34(10) . .
C22 Si8 Y2 125.67(11) . .
N4 Si8 K1 54.76(8) . .
C23 Si8 K1 151.84(11) . .
C24 Si8 K1 100.17(11) . .
C22 Si8 K1 64.57(10) . .
Y2 Si8 K1 63.84(2) . .
C25 O1 C28 108.1(2) . .
C25 O1 Y1 128.72(18) . .
C28 O1 Y1 121.88(17) . .
C29 O2 C32 108.4(2) . .
C29 O2 Y2 126.90(17) . .
C32 O2 Y2 121.88(16) . .
Si1 N1 Si2 121.65(14) . .
Si1 N1 Y1 119.29(12) . .
Si2 N1 Y1 117.96(12) . .
Si3 N2 Si4 126.65(14) . .
Si3 N2 Y1 106.88(11) . .
Si4 N2 Y1 124.78(13) . .
Si3 N2 K1 97.49(10) . .
Si4 N2 K1 97.16(10) . .
Y1 N2 K1 87.46(7) . .
Si6 N3 Si5 120.28(14) . .
Si6 N3 Y2 125.63(13) . .
Si5 N3 Y2 114.09(12) . .
Si7 N4 Si8 123.57(14) . .
Si7 N4 Y2 124.24(13) . .
Si8 N4 Y2 111.24(12) . .
Si7 N4 K1 94.94(10) . .
Si8 N4 K1 97.08(10) . .
Y2 N4 K1 87.42(7) . .
N6 N5 Y1 72.31(14) . .
N6 N5 Y2 71.12(14) . .
Y1 N5 Y2 140.85(12) . .
N6 N5 K1 76.67(14) . .
Y1 N5 K1 92.69(8) . .
Y2 N5 K1 92.13(8) . .
N5 N6 Y2 72.31(14) . .
N5 N6 Y1 71.02(14) . .
Y2 N6 Y1 140.76(11) . .
N5 N6 K1 75.03(14) . .
Y2 N6 K1 91.90(8) . .
Y1 N6 K1 91.79(8) . .
O1 C25 C26 104.4(3) . .
C25 C26 C27 102.8(3) . .
C26 C27 C28 104.5(3) . .
O1 C28 C27 106.4(3) . .
O2 C29 C30 105.8(2) . .
C29 C30 C31 102.0(3) . .
C32 C31 C30 102.4(3) . .
O2 C32 C31 105.6(2) . .
C34 C33 C36 108.4(5) . 3_676
C34 C33 C37 58.1(4) . .
C36 C33 C37 50.3(4) 3_676 .
C35 C34 C33 124.0(6) . .
C35 C34 C37 51.9(5) . .
C33 C34 C37 73.2(5) . .
C34 C35 C37 77.9(7) . .
C34 C35 C36 126.6(7) . .
C37 C35 C36 48.7(5) . .
C37 C36 C37 51.1(8) . 3_676
C37 C36 C35 57.4(6) . .
C37 C36 C35 107.5(6) 3_676 .
C37 C36 C33 122.3(7) . 3_676
C37 C36 C33 72.4(5) 3_676 3_676
C35 C36 C33 178.7(6) . 3_676
C36 C37 C37 78.3(10) . 3_676
C36 C37 C35 73.9(7) . .
C37 C37 C35 149.7(14) 3_676 .
C36 C37 C36 128.9(8) . 3_676
C37 C37 C36 50.6(8) 3_676 3_676
C35 C37 C36 154.7(9) . 3_676
C36 C37 C34 124.2(8) . .
C37 C37 C34 154.7(13) 3_676 .
C35 C37 C34 50.2(5) . .
C36 C37 C34 106.0(7) 3_676 .
C36 C37 C33 168.2(9) . .
C37 C37 C33 107.0(11) 3_676 .
C35 C37 C33 98.2(7) . .
C36 C37 C33 57.3(5) 3_676 .
C34 C37 C33 48.7(4) . .
loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_site_symmetry_2
Y1 N5 2.225(2) .
Y1 N6 2.242(2) .
Y1 N1 2.328(2) .
Y1 N2 2.341(2) .
Y1 O1 2.384(2) .
Y2 N6 2.231(2) .
Y2 N5 2.247(2) .
Y2 N4 2.329(2) .
Y2 N3 2.331(2) .
Y2 O2 2.419(2) .
K1 N5 2.864(2) .
K1 N6 2.885(2) .
K1 N2 2.982(3) .
K1 N4 2.989(3) .
Si1 N1 1.708(3) .
Si1 C3 1.880(3) .
Si1 C1 1.883(4) .
Si1 C2 1.885(3) .
Si2 N1 1.716(3) .
Si2 C5 1.876(3) .
Si2 C6 1.877(4) .
Si2 C4 1.878(3) .
Si3 N2 1.719(3) .
Si3 C8 1.876(3) .
Si3 C7 1.887(3) .
Si3 C9 1.887(3) .
Si4 N2 1.719(3) .
Si4 C10 1.873(3) .
Si4 C11 1.886(3) .
Si4 C12 1.893(3) .
Si5 N3 1.715(3) .
Si5 C14 1.883(3) .
Si5 C13 1.889(3) .
Si5 C15 1.892(3) .
Si6 N3 1.712(3) .
Si6 C18 1.875(3) .
Si6 C16 1.889(3) .
Si6 C17 1.892(3) .
Si7 N4 1.713(3) .
Si7 C20 1.876(3) .
Si7 C21 1.879(3) .
Si7 C19 1.887(4) .
Si8 N4 1.727(3) .
Si8 C23 1.875(3) .
Si8 C24 1.887(3) .
Si8 C22 1.892(3) .
O1 C25 1.452(4) .
O1 C28 1.469(4) .
O2 C29 1.462(3) .
O2 C32 1.469(4) .
N5 N6 1.405(3) .
C25 C26 1.514(5) .
C26 C27 1.519(5) .
C27 C28 1.528(4) .
C29 C30 1.511(5) .
C30 C31 1.521(4) .
C31 C32 1.507(4) .
C33 C34 1.435(9) .
C33 C36 1.615(9) 3_676
C33 C37 1.829(12) .
C34 C35 1.275(9) .
C34 C37 1.622(10) .
C35 C37 1.305(12) .
C35 C36 1.489(9) .
C36 C37 1.164(10) .
C36 C37 1.476(11) 3_676
C36 C33 1.615(9) 3_676
C37 C37 1.172(17) 3_676
C37 C36 1.476(11) 3_676
