#------------------------------------------------------------------------------
#$Date: 2016-02-16 22:30:59 +0200 (Tue, 16 Feb 2016) $
#$Revision: 176467 $
#$URL: svn://www.crystallography.net/cod/cif/4/33/76/4337640.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_4337640
loop_
_publ_author_name
'Meihaus, Katie R.'
'Corbey, Jordan F.'
'Fang, Ming'
'Ziller, Joseph W.'
'Long, Jeffrey R.'
'Evans, William J.'
_publ_section_title
;
 Influence of an inner-sphere k(+) ion on the magnetic behavior of n2(3-)
 radical-bridged dilanthanide complexes isolated using an external
 magnetic field.
;
_journal_issue                   6
_journal_name_full               'Inorganic chemistry'
_journal_page_first              3099
_journal_page_last               3107
_journal_paper_doi               10.1021/ic4030102
_journal_volume                  53
_journal_year                    2014
_chemical_formula_sum            'C35.5 H92 K N6 O2 Si8 Tb2'
_chemical_formula_weight         1216.81
_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                 104.9719(7)
_cell_angle_gamma                90.00
_cell_formula_units_Z            4
_cell_length_a                   12.4539(8)
_cell_length_b                   21.4481(13)
_cell_length_c                   22.3028(14)
_cell_measurement_reflns_used    9995
_cell_measurement_temperature    143(2)
_cell_measurement_theta_max      28.38
_cell_measurement_theta_min      2.34
_cell_volume                     5755.1(6)
_computing_cell_refinement       'Bruker SAINT'
_computing_data_collection       'Bruker 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      143(2)
_diffrn_measured_fraction_theta_full 1.000
_diffrn_measured_fraction_theta_max 0.998
_diffrn_measurement_device_type  'Bruker APEX-II CCD'
_diffrn_measurement_method       'φ and ω scans'
_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  0.0353
_diffrn_reflns_av_sigmaI/netI    0.0278
_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            63931
_diffrn_reflns_theta_full        25.50
_diffrn_reflns_theta_max         27.10
_diffrn_reflns_theta_min         1.34
_exptl_absorpt_coefficient_mu    2.709
_exptl_absorpt_correction_T_max  0.7079
_exptl_absorpt_correction_T_min  0.6106
_exptl_absorpt_correction_type   numerical
_exptl_absorpt_process_details   'Bruker SADABS'
_exptl_crystal_colour            green
_exptl_crystal_density_diffrn    1.404
_exptl_crystal_density_meas      ?
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       irregular
_exptl_crystal_F_000             2496
_exptl_crystal_size_max          0.20
_exptl_crystal_size_mid          0.14
_exptl_crystal_size_min          0.14
_refine_diff_density_max         1.659
_refine_diff_density_min         -0.650
_refine_diff_density_rms         0.091
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.029
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     504
_refine_ls_number_reflns         12655
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      1.029
_refine_ls_R_factor_all          0.0363
_refine_ls_R_factor_gt           0.0252
_refine_ls_shift/su_max          0.004
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'calc w=1/[σ²(Fo²)+(0.0263P)²+6.0398P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0549
_refine_ls_wR_factor_ref         0.0585
_reflns_number_gt                10615
_reflns_number_total             12655
_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            ic4030102_si_002.cif
_cod_data_source_block           mf88
_cod_depositor_comments
;
The following automatic conversions were performed:

'_symmetry_cell_setting' value 'Monoclinic' changed to 'monoclinic'
according to
/usr/data/users/saulius/crontab/automatic-downloads/current/ACS/lib/dictionaries/cif_core.dic
dictionary named 'cif_core.dic' version 2.4.2 from 2011-04-26.

Automatic conversion script
Id: cif_fix_values 2281 2013-09-26 08:29:07Z andrius 

The following automatic conversions were performed:

'_exptl_crystal_density_meas' value 'not_measured' 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_sg_symbol_H-M      P2(1)/n
_cod_original_formula_sum        'C35.50 H92 K N6 O2 Si8 Tb2'
_cod_database_code               4337640
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
Tb1 Tb 0.179985(11) 0.658656(6) 0.396617(6) 0.01615(4) Uani 1 1 d .
Tb2 Tb -0.080005(11) 0.772086(6) 0.425267(6) 0.01570(4) Uani 1 1 d .
K1 K 0.14898(6) 0.70700(3) 0.55174(3) 0.02688(15) Uani 1 1 d .
Si1 Si 0.25364(8) 0.55277(4) 0.29408(4) 0.0265(2) Uani 1 1 d .
Si2 Si 0.02415(7) 0.60608(4) 0.25362(4) 0.02549(19) Uani 1 1 d .
Si3 Si 0.24187(7) 0.55637(4) 0.51004(4) 0.01912(17) Uani 1 1 d .
Si4 Si 0.41534(7) 0.66092(4) 0.53078(4) 0.02053(17) Uani 1 1 d .
Si5 Si -0.27630(7) 0.88310(4) 0.36790(4) 0.02074(17) Uani 1 1 d .
Si6 Si -0.11866(7) 0.86906(4) 0.28916(4) 0.02043(17) Uani 1 1 d .
Si7 Si -0.10884(7) 0.75131(4) 0.57938(4) 0.02217(18) Uani 1 1 d .
Si8 Si 0.02482(7) 0.86075(4) 0.55166(4) 0.02112(17) Uani 1 1 d .
O1 O 0.28756(18) 0.73626(10) 0.35948(10) 0.0262(5) Uani 1 1 d .
O2 O -0.22600(17) 0.69738(9) 0.37720(10) 0.0233(5) Uani 1 1 d .
N1 N 0.1536(2) 0.60330(12) 0.30366(11) 0.0215(5) Uani 1 1 d .
N2 N 0.2911(2) 0.62729(11) 0.49439(12) 0.0196(5) Uani 1 1 d .
N3 N -0.1635(2) 0.84784(11) 0.35253(11) 0.0185(5) Uani 1 1 d .
N4 N -0.0468(2) 0.79226(11) 0.53188(11) 0.0195(5) Uani 1 1 d .
N5 N 0.0290(2) 0.68779(11) 0.42611(11) 0.0196(5) Uani 1 1 d .
N6 N 0.0908(2) 0.74179(11) 0.42323(11) 0.0186(5) Uani 1 1 d .
C1 C 0.2155(3) 0.46859(17) 0.2956(2) 0.0524(12) Uani 1 1 d .
H1A H 0.1522 0.4595 0.2602 0.079 Uiso 1 1 calc R
H1B H 0.1952 0.4595 0.3343 0.079 Uiso 1 1 calc R
H1C H 0.2789 0.4427 0.2930 0.079 Uiso 1 1 calc R
C2 C 0.3017(4) 0.5650(2) 0.22159(18) 0.0557(13) Uani 1 1 d .
H2A H 0.2438 0.5508 0.1855 0.084 Uiso 1 1 calc R
H2B H 0.3700 0.5411 0.2245 0.084 Uiso 1 1 calc R
H2C H 0.3162 0.6094 0.2170 0.084 Uiso 1 1 calc R
C3 C 0.3826(3) 0.56501(17) 0.35819(16) 0.0328(8) Uani 1 1 d .
H3A H 0.3657 0.5587 0.3983 0.049 Uiso 1 1 calc R
H3B H 0.4099 0.6076 0.3560 0.049 Uiso 1 1 calc R
H3C H 0.4397 0.5352 0.3538 0.049 Uiso 1 1 calc R
C4 C 0.0200(3) 0.5956(2) 0.16965(17) 0.0555(12) Uani 1 1 d .
H4A H 0.0429 0.5530 0.1628 0.083 Uiso 1 1 calc R
H4B H 0.0707 0.6254 0.1580 0.083 Uiso 1 1 calc R
H4C H -0.0558 0.6028 0.1442 0.083 Uiso 1 1 calc R
C5 C -0.0426(3) 0.68296(17) 0.25859(18) 0.0380(9) Uani 1 1 d .
H5A H -0.0472 0.6900 0.3013 0.057 Uiso 1 1 calc R
H5B H -0.1175 0.6832 0.2306 0.057 Uiso 1 1 calc R
H5C H 0.0019 0.7161 0.2465 0.057 Uiso 1 1 calc R
C6 C -0.0705(3) 0.54514(18) 0.2714(2) 0.0450(10) Uani 1 1 d .
H6A H -0.0685 0.5468 0.3156 0.068 Uiso 1 1 calc R
H6B H -0.0461 0.5039 0.2614 0.068 Uiso 1 1 calc R
H6C H -0.1466 0.5528 0.2465 0.068 Uiso 1 1 calc R
C7 C 0.1901(3) 0.55501(15) 0.58210(15) 0.0300(7) Uani 1 1 d .
H7A H 0.2500 0.5679 0.6178 0.045 Uiso 1 1 calc R
H7B H 0.1661 0.5127 0.5890 0.045 Uiso 1 1 calc R
H7C H 0.1272 0.5837 0.5771 0.045 Uiso 1 1 calc R
C8 C 0.3414(3) 0.49019(15) 0.51658(17) 0.0324(8) Uani 1 1 d .
H8A H 0.3736 0.4906 0.4809 0.049 Uiso 1 1 calc R
H8B H 0.3021 0.4507 0.5174 0.049 Uiso 1 1 calc R
H8C H 0.4008 0.4945 0.5549 0.049 Uiso 1 1 calc R
C9 C 0.1163(3) 0.53500(14) 0.44567(15) 0.0270(7) Uani 1 1 d .
H9A H 0.1376 0.5321 0.4064 0.041 Uiso 1 1 calc R
H9B H 0.0590 0.5671 0.4422 0.041 Uiso 1 1 calc R
H9C H 0.0872 0.4947 0.4549 0.041 Uiso 1 1 calc R
C10 C 0.5003(3) 0.61650(16) 0.59890(15) 0.0319(8) Uani 1 1 d .
H10A H 0.5307 0.5790 0.5843 0.048 Uiso 1 1 calc R
H10B H 0.4533 0.6044 0.6261 0.048 Uiso 1 1 calc R
H10C H 0.5614 0.6428 0.6220 0.048 Uiso 1 1 calc R
C11 C 0.5087(3) 0.67386(16) 0.47762(16) 0.0283(7) Uani 1 1 d .
H11A H 0.5366 0.6336 0.4672 0.042 Uiso 1 1 calc R
H11B H 0.5715 0.7003 0.4985 0.042 Uiso 1 1 calc R
H11C H 0.4667 0.6944 0.4395 0.042 Uiso 1 1 calc R
C12 C 0.3950(3) 0.74096(15) 0.56169(16) 0.0301(7) Uani 1 1 d .
H12A H 0.3667 0.7367 0.5986 0.045 Uiso 1 1 calc R
H12B H 0.3415 0.7645 0.5298 0.045 Uiso 1 1 calc R
H12C H 0.4662 0.7631 0.5727 0.045 Uiso 1 1 calc R
C13 C -0.2533(3) 0.96605(15) 0.39545(17) 0.0331(8) Uani 1 1 d .
H13A H -0.2405 0.9922 0.3619 0.050 Uiso 1 1 calc R
H13B H -0.1884 0.9681 0.4313 0.050 Uiso 1 1 calc R
H13C H -0.3191 0.9811 0.4075 0.050 Uiso 1 1 calc R
C14 C -0.4017(3) 0.88328(15) 0.29965(15) 0.0268(7) Uani 1 1 d .
H14A H -0.4265 0.8403 0.2894 0.040 Uiso 1 1 calc R
H14B H -0.3825 0.9025 0.2639 0.040 Uiso 1 1 calc R
H14C H -0.4615 0.9071 0.3100 0.040 Uiso 1 1 calc R
C15 C -0.3150(3) 0.84045(16) 0.43302(15) 0.0293(7) Uani 1 1 d .
H15A H -0.3282 0.7964 0.4219 0.044 Uiso 1 1 calc R
H15B H -0.3826 0.8588 0.4402 0.044 Uiso 1 1 calc R
H15C H -0.2542 0.8439 0.4709 0.044 Uiso 1 1 calc R
C16 C -0.1978(3) 0.82767(15) 0.21650(14) 0.0273(7) Uani 1 1 d .
H16A H -0.1992 0.7828 0.2246 0.041 Uiso 1 1 calc R
H16B H -0.1611 0.8350 0.1832 0.041 Uiso 1 1 calc R
H16C H -0.2740 0.8437 0.2039 0.041 Uiso 1 1 calc R
C17 C -0.1330(3) 0.95437(15) 0.26834(16) 0.0301(7) Uani 1 1 d .
H17A H -0.0944 0.9793 0.3043 0.045 Uiso 1 1 calc R
H17B H -0.2119 0.9657 0.2563 0.045 Uiso 1 1 calc R
H17C H -0.1002 0.9624 0.2336 0.045 Uiso 1 1 calc R
C18 C 0.0327(3) 0.85272(16) 0.30105(16) 0.0304(8) Uani 1 1 d .
H18A H 0.0479 0.8091 0.3134 0.046 Uiso 1 1 calc R
H18B H 0.0759 0.8801 0.3337 0.046 Uiso 1 1 calc R
H18C H 0.0538 0.8604 0.2623 0.046 Uiso 1 1 calc R
C19 C -0.0130(3) 0.7355(2) 0.65768(19) 0.0593(14) Uani 1 1 d .
H19A H 0.0543 0.7149 0.6527 0.089 Uiso 1 1 calc R
H19B H -0.0503 0.7085 0.6814 0.089 Uiso 1 1 calc R
H19C H 0.0072 0.7750 0.6799 0.089 Uiso 1 1 calc R
C20 C -0.1563(3) 0.67402(17) 0.5429(2) 0.0433(10) Uani 1 1 d .
H20A H -0.2146 0.6805 0.5045 0.065 Uiso 1 1 calc R
H20B H -0.1858 0.6488 0.5717 0.065 Uiso 1 1 calc R
H20C H -0.0934 0.6523 0.5335 0.065 Uiso 1 1 calc R
C21 C -0.2348(3) 0.78779(18) 0.59630(18) 0.0373(9) Uani 1 1 d .
H21A H -0.2927 0.7931 0.5575 0.056 Uiso 1 1 calc R
H21B H -0.2149 0.8285 0.6159 0.056 Uiso 1 1 calc R
H21C H -0.2626 0.7607 0.6244 0.056 Uiso 1 1 calc R
C22 C 0.1638(3) 0.85024(16) 0.60896(16) 0.0333(8) Uani 1 1 d .
H22A H 0.1553 0.8238 0.6433 0.050 Uiso 1 1 calc R
H22B H 0.1931 0.8910 0.6252 0.050 Uiso 1 1 calc R
H22C H 0.2155 0.8305 0.5883 0.050 Uiso 1 1 calc R
C23 C -0.0517(3) 0.92070(16) 0.58519(18) 0.0368(8) Uani 1 1 d .
H23A H -0.1253 0.9275 0.5569 0.055 Uiso 1 1 calc R
H23B H -0.0099 0.9599 0.5909 0.055 Uiso 1 1 calc R
H23C H -0.0601 0.9062 0.6254 0.055 Uiso 1 1 calc R
C24 C 0.0566(3) 0.89537(15) 0.48120(15) 0.0292(7) Uani 1 1 d .
H24A H -0.0130 0.9048 0.4502 0.044 Uiso 1 1 calc R
H24B H 0.1000 0.8656 0.4638 0.044 Uiso 1 1 calc R
H24C H 0.0994 0.9338 0.4927 0.044 Uiso 1 1 calc R
C25 C 0.3221(3) 0.73632(17) 0.30233(17) 0.0360(8) Uani 1 1 d .
H25A H 0.2770 0.7068 0.2719 0.043 Uiso 1 1 calc R
H25B H 0.4015 0.7248 0.3101 0.043 Uiso 1 1 calc R
C26 C 0.3029(3) 0.80237(17) 0.27933(18) 0.0403(9) Uani 1 1 d .
H26A H 0.2243 0.8090 0.2566 0.048 Uiso 1 1 calc R
H26B H 0.3510 0.8130 0.2517 0.048 Uiso 1 1 calc R
C27 C 0.3334(4) 0.84060(18) 0.33823(19) 0.0443(10) Uani 1 1 d .
H27A H 0.2885 0.8792 0.3337 0.053 Uiso 1 1 calc R
H27B H 0.4132 0.8520 0.3491 0.053 Uiso 1 1 calc R
C28 C 0.3077(3) 0.79817(15) 0.38724(16) 0.0280(7) Uani 1 1 d .
H28A H 0.3712 0.7971 0.4246 0.034 Uiso 1 1 calc R
H28B H 0.2412 0.8132 0.3994 0.034 Uiso 1 1 calc R
C29 C -0.3264(3) 0.71023(16) 0.32849(18) 0.0364(9) Uani 1 1 d .
H29A H -0.3135 0.7446 0.3015 0.044 Uiso 1 1 calc R
H29B H -0.3881 0.7221 0.3466 0.044 Uiso 1 1 calc R
C30 C -0.3528(3) 0.65084(17) 0.29230(17) 0.0384(9) Uani 1 1 d .
H30A H -0.3134 0.6486 0.2591 0.046 Uiso 1 1 calc R
H30B H -0.4337 0.6467 0.2736 0.046 Uiso 1 1 calc R
C31 C -0.3117(3) 0.60166(15) 0.34067(16) 0.0318(8) Uani 1 1 d .
H31A H -0.3665 0.5935 0.3649 0.038 Uiso 1 1 calc R
H31B H -0.2956 0.5622 0.3216 0.038 Uiso 1 1 calc R
C32 C -0.2076(3) 0.63011(14) 0.38050(16) 0.0290(7) Uani 1 1 d .
H32A H -0.1940 0.6153 0.4239 0.035 Uiso 1 1 calc R
H32B H -0.1427 0.6190 0.3647 0.035 Uiso 1 1 calc R
C33 C 0.3320(7) 0.9824(4) 0.4562(4) 0.0414(18) Uiso 0.50 1 d P
C34 C 0.3772(5) 0.9269(3) 0.4868(3) 0.0813(16) Uiso 1 1 d .
C35 C 0.4775(8) 0.9172(4) 0.5126(4) 0.054(2) Uiso 0.50 1 d P
C36 C 0.5699(5) 0.9648(3) 0.5272(3) 0.0796(16) Uiso 1 1 d .
C37 C 0.4812(9) 0.9763(4) 0.5038(5) 0.062(3) 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'
Tb Tb -0.1723 4.1537 '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 Tb1 N6 36.33(8) . .
N5 Tb1 N1 117.82(9) . .
N6 Tb1 N1 131.90(9) . .
N5 Tb1 N2 98.32(9) . .
N6 Tb1 N2 101.12(9) . .
N1 Tb1 N2 126.13(9) . .
N5 Tb1 O1 119.47(8) . .
N6 Tb1 O1 84.26(8) . .
N1 Tb1 O1 90.53(8) . .
N2 Tb1 O1 105.60(8) . .
N6 Tb2 N5 36.33(8) . .
N6 Tb2 N3 116.24(8) . .
N5 Tb2 N3 136.05(9) . .
N6 Tb2 N4 98.90(9) . .
N5 Tb2 N4 101.02(9) . .
N3 Tb2 N4 120.31(8) . .
N6 Tb2 O2 113.77(8) . .
N5 Tb2 O2 81.77(8) . .
N3 Tb2 O2 90.24(8) . .
N4 Tb2 O2 118.69(8) . .
N5 K1 N6 28.40(7) . .
N5 K1 N2 73.31(7) . .
N6 K1 N2 75.21(7) . .
N5 K1 N4 75.04(7) . .
N6 K1 N4 72.96(7) . .
N2 K1 N4 147.23(7) . .
N1 Si1 C1 114.45(16) . .
N1 Si1 C3 108.99(14) . .
C1 Si1 C3 107.08(18) . .
N1 Si1 C2 115.07(16) . .
C1 Si1 C2 106.8(2) . .
C3 Si1 C2 103.67(18) . .
N1 Si2 C5 110.63(15) . .
N1 Si2 C6 112.18(17) . .
C5 Si2 C6 106.91(18) . .
N1 Si2 C4 115.24(16) . .
C5 Si2 C4 105.6(2) . .
C6 Si2 C4 105.8(2) . .
N2 Si3 C8 115.29(14) . .
N2 Si3 C7 114.11(14) . .
C8 Si3 C7 106.81(16) . .
N2 Si3 C9 109.34(13) . .
C8 Si3 C9 106.14(16) . .
C7 Si3 C9 104.30(15) . .
N2 Si4 C10 115.02(14) . .
N2 Si4 C11 113.18(14) . .
C10 Si4 C11 105.93(16) . .
N2 Si4 C12 111.45(14) . .
C10 Si4 C12 105.48(16) . .
C11 Si4 C12 104.97(15) . .
N3 Si5 C14 113.16(14) . .
N3 Si5 C13 114.92(15) . .
C14 Si5 C13 106.71(15) . .
N3 Si5 C15 109.14(13) . .
C14 Si5 C15 107.56(15) . .
C13 Si5 C15 104.80(16) . .
N3 Si6 C18 111.46(14) . .
N3 Si6 C17 115.56(14) . .
C18 Si6 C17 104.19(15) . .
N3 Si6 C16 112.03(14) . .
C18 Si6 C16 108.51(16) . .
C17 Si6 C16 104.48(15) . .
N4 Si7 C20 109.19(15) . .
N4 Si7 C19 112.95(16) . .
C20 Si7 C19 107.3(2) . .
N4 Si7 C21 116.50(15) . .
C20 Si7 C21 105.65(18) . .
C19 Si7 C21 104.61(19) . .
N4 Si8 C23 114.01(15) . .
N4 Si8 C24 109.43(13) . .
C23 Si8 C24 107.67(17) . .
N4 Si8 C22 113.47(14) . .
C23 Si8 C22 106.60(17) . .
C24 Si8 C22 105.14(16) . .
C25 O1 C28 108.4(2) . .
C25 O1 Tb1 128.4(2) . .
C28 O1 Tb1 122.14(17) . .
C29 O2 C32 108.6(2) . .
C29 O2 Tb2 126.83(18) . .
C32 O2 Tb2 122.32(17) . .
Si1 N1 Si2 122.47(15) . .
Si1 N1 Tb1 119.59(13) . .
Si2 N1 Tb1 117.03(12) . .
Si3 N2 Si4 127.33(15) . .
Si3 N2 Tb1 106.68(12) . .
Si4 N2 Tb1 124.14(12) . .
Si3 N2 K1 98.00(10) . .
Si4 N2 K1 96.86(11) . .
Tb1 N2 K1 87.80(7) . .
Si5 N3 Si6 120.64(14) . .
Si5 N3 Tb2 114.18(12) . .
Si6 N3 Tb2 125.17(12) . .
Si7 N4 Si8 124.72(15) . .
Si7 N4 Tb2 123.00(13) . .
Si8 N4 Tb2 111.23(12) . .
Si7 N4 K1 94.35(10) . .
Si8 N4 K1 97.79(10) . .
Tb2 N4 K1 87.74(7) . .
N6 N5 Tb1 72.77(14) . .
N6 N5 Tb2 70.97(14) . .
Tb1 N5 Tb2 140.43(12) . .
N6 N5 K1 76.73(14) . .
Tb1 N5 K1 93.59(8) . .
Tb2 N5 K1 93.09(8) . .
N5 N6 Tb2 72.69(14) . .
N5 N6 Tb1 70.90(14) . .
Tb2 N6 Tb1 140.30(11) . .
N5 N6 K1 74.87(14) . .
Tb2 N6 K1 92.94(8) . .
Tb1 N6 K1 92.46(8) . .
O1 C25 C26 104.1(3) . .
C25 C26 C27 103.4(3) . .
C26 C27 C28 104.4(3) . .
O1 C28 C27 106.6(3) . .
O2 C29 C30 105.6(3) . .
C29 C30 C31 102.9(3) . .
C32 C31 C30 102.8(3) . .
O2 C32 C31 105.8(3) . .
C34 C33 C36 106.9(6) . 3_676
C34 C33 C37 57.3(5) . .
C36 C33 C37 49.7(4) 3_676 .
C35 C34 C33 126.1(7) . .
C35 C34 C37 50.6(6) . .
C33 C34 C37 76.2(6) . .
C34 C35 C37 80.6(8) . .
C34 C35 C36 127.0(8) . .
C37 C35 C36 46.4(6) . .
C37 C36 C37 49.5(8) . 3_676
C37 C36 C35 56.2(6) . .
C37 C36 C35 105.2(7) 3_676 .
C37 C36 C33 122.8(8) . 3_676
C37 C36 C33 74.0(5) 3_676 3_676
C35 C36 C33 178.5(6) . 3_676
C36 C37 C37 82.7(12) . 3_676
C36 C37 C35 77.4(8) . .
C37 C37 C35 157.9(16) 3_676 .
C36 C37 C36 130.5(8) . 3_676
C37 C37 C36 47.8(8) 3_676 3_676
C35 C37 C36 150.8(10) . 3_676
C36 C37 C34 126.2(9) . .
C37 C37 C34 149.8(14) 3_676 .
C35 C37 C34 48.8(6) . .
C36 C37 C34 102.8(7) 3_676 .
C36 C37 C33 169.7(10) . .
C37 C37 C33 103.6(12) 3_676 .
C35 C37 C33 94.9(8) . .
C36 C37 C33 56.3(5) 3_676 .
C34 C37 C33 46.5(4) . .
loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_site_symmetry_2
Tb1 N5 2.235(2) .
Tb1 N6 2.260(2) .
Tb1 N1 2.337(2) .
Tb1 N2 2.358(2) .
Tb1 O1 2.413(2) .
Tb2 N6 2.236(2) .
Tb2 N5 2.258(2) .
Tb2 N3 2.341(2) .
Tb2 N4 2.346(2) .
Tb2 O2 2.453(2) .
K1 N5 2.844(3) .
K1 N6 2.868(3) .
K1 N2 2.977(3) .
K1 N4 2.988(3) .
Si1 N1 1.706(3) .
Si1 C1 1.870(4) .
Si1 C3 1.873(3) .
Si1 C2 1.882(4) .
Si2 N1 1.708(3) .
Si2 C5 1.863(4) .
Si2 C6 1.870(4) .
Si2 C4 1.874(4) .
Si3 N2 1.709(2) .
Si3 C8 1.865(3) .
Si3 C7 1.880(3) .
Si3 C9 1.886(3) .
Si4 N2 1.710(3) .
Si4 C10 1.872(3) .
Si4 C11 1.883(3) .
Si4 C12 1.891(3) .
Si5 N3 1.706(2) .
Si5 C14 1.878(3) .
Si5 C13 1.880(3) .
Si5 C15 1.881(3) .
Si6 N3 1.710(3) .
Si6 C18 1.868(3) .
Si6 C17 1.885(3) .
Si6 C16 1.887(3) .
Si7 N4 1.707(3) .
Si7 C20 1.874(4) .
Si7 C19 1.874(4) .
Si7 C21 1.876(3) .
Si8 N4 1.716(3) .
Si8 C23 1.868(3) .
Si8 C24 1.870(3) .
Si8 C22 1.881(3) .
O1 C25 1.447(4) .
O1 C28 1.459(4) .
O2 C29 1.455(4) .
O2 C32 1.460(4) .
N5 N6 1.401(3) .
C25 C26 1.505(5) .
C26 C27 1.511(5) .
C27 C28 1.519(5) .
C29 C30 1.498(5) .
C30 C31 1.501(5) .
C31 C32 1.499(4) .
C33 C34 1.413(9) .
C33 C36 1.637(10) 3_676
C33 C37 1.892(13) .
C34 C35 1.250(10) .
C34 C37 1.639(11) .
C35 C37 1.285(12) .
C35 C36 1.510(11) .
C36 C37 1.120(11) .
C36 C37 1.500(11) 3_676
C36 C33 1.637(10) 3_676
C37 C37 1.151(19) 3_676
C37 C36 1.500(11) 3_676
