#------------------------------------------------------------------------------
#$Date: 2016-03-21 10:31:56 +0200 (Mon, 21 Mar 2016) $
#$Revision: 178655 $
#$URL: svn://www.crystallography.net/cod/cif/4/07/66/4076680.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_4076680
loop_
_publ_author_name
'Freckmann, Dominique M. M.'
'Dubé, Tiffany'
'Bérubé, Christian D.'
'Gambarotta, Sandro'
'Yap, Glenn P. A.'
_publ_section_title
;
 Cyclic Di- and Mixed-Valent Ytterbium Complexes Supported by Dipyrrolide
 Ligands
;
_journal_issue                   6
_journal_name_full               Organometallics
_journal_page_first              1240
_journal_page_last               1246
_journal_paper_doi               10.1021/om010928f
_journal_volume                  21
_journal_year                    2002
_chemical_formula_sum            'C116 H128 K2 N9 O8 Yb4'
_chemical_formula_weight         2546.63
_chemical_name_systematic        ?
_space_group_IT_number           15
_symmetry_cell_setting           monoclinic
_symmetry_space_group_name_Hall  '-C 2yc'
_symmetry_space_group_name_H-M   'C 1 2/c 1'
_atom_sites_solution_hydrogens   geom
_atom_sites_solution_primary     direct
_atom_sites_solution_secondary   difmap
_audit_creation_method           SHELXL-97
_cell_angle_alpha                90.00
_cell_angle_beta                 109.186(5)
_cell_angle_gamma                90.00
_cell_formula_units_Z            4
_cell_length_a                   26.131(7)
_cell_length_b                   17.197(5)
_cell_length_c                   25.325(7)
_cell_measurement_reflns_used    'reflections from 60 data frames'
_cell_measurement_temperature    203(2)
_cell_measurement_theta_max      28.29
_cell_measurement_theta_min      1.47
_cell_volume                     10748(5)
_computing_cell_refinement       'Bruker SMART'
_computing_data_collection       'Bruker SMART'
_computing_data_reduction        'Bruker SHELXTL'
_computing_molecular_graphics    'Bruker SHELXTL'
_computing_publication_material  'Bruker SHELXTL'
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 1997)'
_computing_structure_solution    'SHELXS-97 (Sheldrick, 1990)'
_diffrn_ambient_temperature      203(2)
_diffrn_measured_fraction_theta_full 0.988
_diffrn_measured_fraction_theta_max 0.988
_diffrn_measurement_device_type  'CCD area detector'
_diffrn_measurement_method       'phi and omega 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  0.0856
_diffrn_reflns_av_sigmaI/netI    0.0775
_diffrn_reflns_limit_h_max       29
_diffrn_reflns_limit_h_min       -30
_diffrn_reflns_limit_k_max       20
_diffrn_reflns_limit_k_min       0
_diffrn_reflns_limit_l_max       29
_diffrn_reflns_limit_l_min       0
_diffrn_reflns_number            34001
_diffrn_reflns_theta_full        24.89
_diffrn_reflns_theta_max         24.89
_diffrn_reflns_theta_min         1.70
_diffrn_standards_decay_%        <1
_diffrn_standards_number         '50 standard frames at start and end'
_exptl_absorpt_coefficient_mu    3.586
_exptl_absorpt_correction_T_max  0.928019
_exptl_absorpt_correction_T_min  0.666866
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   'Blessing,R., Acta Cryst. (1995) A51 33-38.'
_exptl_crystal_colour            red
_exptl_crystal_density_diffrn    1.574
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       block
_exptl_crystal_F_000             5076
_exptl_crystal_size_max          0.2
_exptl_crystal_size_mid          0.1
_exptl_crystal_size_min          0.1
_refine_diff_density_max         0.635
_refine_diff_density_min         -0.817
_refine_diff_density_rms         0.104
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.019
_refine_ls_hydrogen_treatment    mixed
_refine_ls_matrix_type           full
_refine_ls_number_parameters     628
_refine_ls_number_reflns         9250
_refine_ls_number_restraints     904
_refine_ls_restrained_S_all      1.038
_refine_ls_R_factor_all          0.0858
_refine_ls_R_factor_gt           0.0328
_refine_ls_shift/su_max          0.013
_refine_ls_shift/su_mean         0.002
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'calc w=1/[σ²(Fo²)+(0.0100P)²+0.0000P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0494
_refine_ls_wR_factor_ref         0.0560
_reflns_number_gt                5236
_reflns_number_total             9250
_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            om010928f.cif
_cod_data_source_block           sg258
_cod_depositor_comments
;
The following automatic conversions were performed:

'_symmetry_cell_setting' value 'Monoclinic' changed to 'monoclinic'
according to /home/saulius/struct/CIF-dictionaries/cif_core.dic
dictionary named 'cif_core.dic' version 2.4.1 from 2010-06-29.

Automatic conversion script
Id: cif_fix_values 1715 2011-07-08 13:25:40Z adriana 
;
_cod_original_sg_symbol_H-M      C2/c
_cod_database_code               4076680
loop_
_symmetry_equiv_pos_as_xyz
'x, y, z'
'-x, y, -z+1/2'
'x+1/2, y+1/2, z'
'-x+1/2, y+1/2, -z+1/2'
'-x, -y, -z'
'x, -y, z-1/2'
'-x+1/2, -y+1/2, -z'
'x+1/2, -y+1/2, z-1/2'
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
Yb1 Yb 0.935309(12) 0.948235(16) 0.245584(12) 0.02671(7) Uani 1 1 d U
Yb2 Yb 0.934146(13) 1.142566(14) 0.245999(13) 0.02745(8) Uani 1 1 d U
K1 K 1.06087(7) 0.76451(10) 0.41583(6) 0.0583(5) Uani 1 1 d U
N1 N 0.86645(16) 1.0448(3) 0.18030(17) 0.0300(10) Uani 1 1 d U
N2 N 0.90164(17) 1.0394(3) 0.30699(17) 0.0297(10) Uani 1 1 d U
N3 N 1.01568(19) 1.2185(3) 0.31306(19) 0.0287(12) Uani 1 1 d U
N4 N 1.01617(18) 0.8689(3) 0.31116(19) 0.0268(11) Uani 1 1 d U
N5 N 1.0000 1.0442(4) 0.2500 0.0143(11) Uani 1 2 d SU
C1 C 0.8788(2) 1.0010(4) 0.1409(2) 0.0344(14) Uani 1 1 d U
H1A H 0.9011 1.0178 0.1206 0.041 Uiso 1 1 calc R
C2 C 0.8537(2) 0.9278(4) 0.1348(3) 0.0422(17) Uani 1 1 d U
H2A H 0.8562 0.8877 0.1106 0.051 Uiso 1 1 calc R
C3 C 0.8237(2) 0.9266(4) 0.1727(3) 0.0379(15) Uani 1 1 d U
H3A H 0.8029 0.8853 0.1789 0.046 Uiso 1 1 calc R
C4 C 0.8315(2) 0.9997(4) 0.1988(2) 0.0291(13) Uani 1 1 d U
C5 C 0.9337(3) 1.0914(4) 0.3463(2) 0.0360(15) Uani 1 1 d U
H5A H 0.9691 1.0809 0.3700 0.043 Uiso 1 1 calc R
C6 C 0.9062(3) 1.1609(4) 0.3457(3) 0.0399(17) Uani 1 1 d U
H6A H 0.9197 1.2049 0.3679 0.048 Uiso 1 1 calc R
C7 C 0.8543(2) 1.1528(4) 0.3057(3) 0.0385(16) Uani 1 1 d U
H7A H 0.8266 1.1904 0.2955 0.046 Uiso 1 1 calc R
C8 C 0.8522(2) 1.0783(3) 0.2842(2) 0.0306(14) Uani 1 1 d U
C9 C 0.8065(2) 1.0341(3) 0.2395(2) 0.0297(13) Uani 1 1 d U
C10 C 0.8082(3) 0.9367(4) 0.3178(3) 0.0480(19) Uani 1 1 d U
H10A H 0.8410 0.9585 0.3407 0.058 Uiso 1 1 calc R
C11 C 0.7866(3) 0.8747(4) 0.3375(3) 0.067(2) Uani 1 1 d U
H11A H 0.8051 0.8541 0.3730 0.081 Uiso 1 1 calc R
C12 C 0.7380(3) 0.8427(4) 0.3052(3) 0.064(2) Uani 1 1 d U
H12A H 0.7238 0.7999 0.3188 0.076 Uiso 1 1 calc R
C13 C 0.7106(3) 0.8723(4) 0.2541(3) 0.0517(19) Uani 1 1 d U
H13A H 0.6771 0.8511 0.2325 0.062 Uiso 1 1 calc R
C14 C 0.7333(2) 0.9355(4) 0.2338(3) 0.0443(19) Uani 1 1 d U
H14A H 0.7145 0.9563 0.1984 0.053 Uiso 1 1 calc R
C15 C 0.7830(2) 0.9679(3) 0.2653(2) 0.0293(14) Uani 1 1 d U
C16 C 0.7484(2) 1.1121(4) 0.1554(3) 0.0456(18) Uani 1 1 d U
H16A H 0.7705 1.0951 0.1351 0.055 Uiso 1 1 calc R
C17 C 0.7029(3) 1.1584(4) 0.1291(3) 0.061(2) Uani 1 1 d U
H17A H 0.6937 1.1697 0.0908 0.074 Uiso 1 1 calc R
C18 C 0.6717(3) 1.1873(4) 0.1590(3) 0.058(2) Uani 1 1 d U
H18A H 0.6422 1.2202 0.1419 0.069 Uiso 1 1 calc R
C19 C 0.6844(3) 1.1674(4) 0.2137(3) 0.055(2) Uani 1 1 d U
H19A H 0.6629 1.1865 0.2342 0.066 Uiso 1 1 calc R
C20 C 0.7278(3) 1.1202(4) 0.2398(3) 0.0437(18) Uani 1 1 d U
H20A H 0.7353 1.1072 0.2776 0.052 Uiso 1 1 calc R
C21 C 0.7608(2) 1.0915(3) 0.2109(3) 0.0334(15) Uani 1 1 d U
C22 C 1.0588(2) 1.1853(4) 0.3541(2) 0.0348(16) Uani 1 1 d U
H22A H 1.0559 1.1422 0.3757 0.042 Uiso 1 1 calc R
C23 C 1.1065(3) 1.2234(4) 0.3593(3) 0.0434(18) Uani 1 1 d U
H23A H 1.1411 1.2106 0.3841 0.052 Uiso 1 1 calc R
C24 C 1.0940(2) 1.2848(4) 0.3207(3) 0.0379(16) Uani 1 1 d U
H24A H 1.1183 1.3211 0.3145 0.046 Uiso 1 1 calc R
C25 C 1.0388(2) 1.2812(3) 0.2937(2) 0.0295(15) Uani 1 1 d U
C26 C 1.0000 1.3339(5) 0.2500 0.032(2) Uani 1 2 d SU
C27 C 1.0649(2) 1.4461(3) 0.2543(3) 0.0447(15) Uani 1 1 d U
H27A H 1.0675 1.4515 0.2920 0.054 Uiso 1 1 calc R
C28 C 1.0940(3) 1.4969(4) 0.2321(3) 0.0518(19) Uani 1 1 d U
H28A H 1.1163 1.5354 0.2547 0.062 Uiso 1 1 calc R
C29 C 1.0896(3) 1.4901(4) 0.1768(3) 0.056(2) Uani 1 1 d U
H29A H 1.1086 1.5241 0.1610 0.067 Uiso 1 1 calc R
C30 C 1.0569(3) 1.4328(4) 0.1445(3) 0.063(2) Uani 1 1 d U
H30A H 1.0536 1.4282 0.1066 0.076 Uiso 1 1 calc R
C31 C 1.0291(3) 1.3826(4) 0.1674(3) 0.0482(19) Uani 1 1 d U
H31A H 1.0074 1.3439 0.1445 0.058 Uiso 1 1 calc R
C32 C 1.0318(2) 1.3869(3) 0.2223(3) 0.0336(15) Uani 1 1 d U
C33 C 0.9959(2) 0.8997(4) 0.3506(2) 0.0340(13) Uani 1 1 d U
H33A H 1.0099 0.9443 0.3719 0.041 Uiso 1 1 calc R
C34 C 0.9530(3) 0.8575(4) 0.3548(3) 0.0452(15) Uani 1 1 d U
H34A H 0.9332 0.8674 0.3791 0.054 Uiso 1 1 calc R
C35 C 0.9443(2) 0.7966(4) 0.3160(2) 0.0390(14) Uani 1 1 d U
H35A H 0.9173 0.7581 0.3087 0.047 Uiso 1 1 calc R
C36 C 0.9836(2) 0.8047(3) 0.2906(2) 0.0276(12) Uani 1 1 d U
C37 C 1.0000 0.7530(5) 0.2500 0.0281(19) Uani 1 2 d SU
C38 C 1.0325(3) 0.6361(4) 0.3134(3) 0.0516(17) Uani 1 1 d U
H38A H 0.9962 0.6196 0.3023 0.062 Uiso 1 1 calc R
C39 C 1.0724(4) 0.5934(4) 0.3545(3) 0.073(2) Uani 1 1 d U
H39A H 1.0625 0.5497 0.3714 0.088 Uiso 1 1 calc R
C40 C 1.1252(4) 0.6160(5) 0.3696(3) 0.081(3) Uani 1 1 d U
H40A H 1.1520 0.5874 0.3967 0.097 Uiso 1 1 calc R
C41 C 1.1396(3) 0.6805(5) 0.3453(3) 0.066(2) Uani 1 1 d U
H41A H 1.1762 0.6955 0.3555 0.079 Uiso 1 1 calc R
C42 C 1.0998(3) 0.7236(4) 0.3056(3) 0.0465(16) Uani 1 1 d U
H42A H 1.1098 0.7682 0.2897 0.056 Uiso 1 1 calc R
C43 C 1.0461(3) 0.7018(4) 0.2892(2) 0.0372(14) Uani 1 1 d U
O1 O 0.9950(3) 0.6999(4) 0.4673(3) 0.106(2) Uani 1 1 d DU
C44 C 0.9742(5) 0.6261(6) 0.4576(5) 0.143(4) Uani 1 1 d DU
H44A H 1.0039 0.5883 0.4688 0.171 Uiso 1 1 calc R
H44B H 0.9549 0.6194 0.4176 0.171 Uiso 1 1 calc R
C45 C 0.9372(5) 0.6119(7) 0.4889(5) 0.145(5) Uani 1 1 d DU
H45A H 0.9537 0.5780 0.5212 0.174 Uiso 1 1 calc R
H45B H 0.9033 0.5882 0.4652 0.174 Uiso 1 1 calc R
C46 C 0.9275(4) 0.6922(8) 0.5073(5) 0.152(5) Uani 1 1 d DU
H46A H 0.8936 0.7140 0.4820 0.183 Uiso 1 1 calc R
H46B H 0.9257 0.6913 0.5453 0.183 Uiso 1 1 calc R
C47 C 0.9742(5) 0.7370(6) 0.5049(4) 0.144(4) Uani 1 1 d DU
H47A H 0.9631 0.7902 0.4924 0.173 Uiso 1 1 calc R
H47B H 1.0018 0.7394 0.5420 0.173 Uiso 1 1 calc R
O2 O 1.1380(3) 0.6963(6) 0.5007(3) 0.175(4) Uani 1 1 d DU
C48 C 1.1298(5) 0.6745(12) 0.5470(6) 0.321(9) Uani 1 1 d DU
H48A H 1.0998 0.6372 0.5372 0.386 Uiso 1 1 calc R
H48B H 1.1183 0.7201 0.5634 0.386 Uiso 1 1 calc R
C49 C 1.1745(6) 0.6405(13) 0.5881(6) 0.333(10) Uani 1 1 d DU
H49A H 1.1799 0.5858 0.5804 0.399 Uiso 1 1 calc R
H49B H 1.1730 0.6464 0.6260 0.399 Uiso 1 1 calc R
C50 C 1.2142(6) 0.6930(12) 0.5764(6) 0.339(10) Uani 1 1 d DU
H50A H 1.2516 0.6745 0.5926 0.407 Uiso 1 1 calc R
H50B H 1.2113 0.7467 0.5881 0.407 Uiso 1 1 calc R
C51 C 1.1917(5) 0.6827(12) 0.5125(5) 0.319(8) Uani 1 1 d DU
H51A H 1.2080 0.7202 0.4936 0.382 Uiso 1 1 calc R
H51B H 1.1983 0.6299 0.5016 0.382 Uiso 1 1 calc R
O3 O 1.0954(4) 0.8886(4) 0.4850(3) 0.164(3) Uani 1 1 d DU
C52 C 1.1488(5) 0.9065(9) 0.5164(6) 0.262(7) Uani 1 1 d DU
H52A H 1.1684 0.9260 0.4921 0.314 Uiso 1 1 calc R
H52B H 1.1675 0.8601 0.5359 0.314 Uiso 1 1 calc R
C53 C 1.1464(6) 0.9658(10) 0.5564(6) 0.300(9) Uani 1 1 d DU
H53A H 1.1792 0.9980 0.5683 0.361 Uiso 1 1 calc R
H53B H 1.1400 0.9435 0.5893 0.361 Uiso 1 1 calc R
C54 C 1.0970(8) 1.0108(8) 0.5191(6) 0.328(9) Uani 1 1 d DU
H54A H 1.0831 1.0484 0.5401 0.393 Uiso 1 1 calc R
H54B H 1.1040 1.0365 0.4876 0.393 Uiso 1 1 calc R
C55 C 1.0605(5) 0.9394(8) 0.5011(4) 0.227(6) Uani 1 1 d DU
H55A H 1.0504 0.9180 0.5322 0.272 Uiso 1 1 calc R
H55B H 1.0277 0.9512 0.4698 0.272 Uiso 1 1 calc R
O4 O 0.2050(4) 0.4803(4) 0.4620(4) 0.201(5) Uani 1 1 d DU
C56 C 0.1895(5) 0.4173(6) 0.4260(4) 0.166(6) Uani 1 1 d DU
H56A H 0.1979 0.4275 0.3917 0.199 Uiso 1 1 calc R
H56B H 0.1503 0.4090 0.4158 0.199 Uiso 1 1 calc R
C57 C 0.2191(5) 0.3473(5) 0.4544(4) 0.133(4) Uani 1 1 d DU
H57A H 0.1946 0.3113 0.4643 0.160 Uiso 1 1 calc R
H57B H 0.2362 0.3202 0.4306 0.160 Uiso 1 1 calc R
C58 C 0.2592(5) 0.3777(6) 0.5038(4) 0.141(5) Uani 1 1 d DU
H58A H 0.2944 0.3834 0.4983 0.170 Uiso 1 1 calc R
H58B H 0.2634 0.3440 0.5362 0.170 Uiso 1 1 calc R
C59 C 0.2363(5) 0.4551(7) 0.5112(4) 0.142(4) Uani 1 1 d DU
H59A H 0.2151 0.4502 0.5366 0.171 Uiso 1 1 calc R
H59B H 0.2657 0.4923 0.5274 0.171 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 0.0000 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'
K K 0.2009 0.2494 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Yb Yb -0.3850 5.5486 '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 Yb1 N2 85.76(13) . .
N5 Yb1 N4 85.43(14) . 2_755
N2 Yb1 N4 170.70(14) . 2_755
N5 Yb1 N1 85.32(14) . .
N2 Yb1 N1 72.01(14) . .
N4 Yb1 N1 110.20(14) 2_755 .
N5 Yb1 N4 85.23(14) . .
N2 Yb1 N4 107.61(14) . .
N4 Yb1 N4 68.65(18) 2_755 .
N1 Yb1 N4 170.54(15) . .
N5 Yb1 C4 113.09(16) . .
N2 Yb1 C4 64.74(16) . .
N4 Yb1 C4 121.86(16) 2_755 .
N1 Yb1 C4 30.16(15) . .
N4 Yb1 C4 158.48(17) . .
N5 Yb1 C1 87.92(14) . .
N2 Yb1 C1 101.64(17) . .
N4 Yb1 C1 81.03(16) 2_755 .
N1 Yb1 C1 29.63(14) . .
N4 Yb1 C1 149.32(17) . .
C4 Yb1 C1 47.71(18) . .
N5 Yb1 C33 89.43(14) . .
N2 Yb1 C33 78.55(16) . .
N4 Yb1 C33 98.36(17) 2_755 .
N1 Yb1 C33 150.39(16) . .
N4 Yb1 C33 29.78(14) . .
C4 Yb1 C33 134.09(18) . .
C1 Yb1 C33 177.32(19) . .
N5 Yb1 C36 112.09(16) . .
N2 Yb1 C36 119.04(16) . .
N4 Yb1 C36 62.04(15) 2_755 .
N1 Yb1 C36 159.10(16) . .
N4 Yb1 C36 29.16(14) . .
C4 Yb1 C36 134.82(17) . .
C1 Yb1 C36 134.98(18) . .
C33 Yb1 C36 46.03(17) . .
N5 Yb1 C3 132.59(14) . .
N2 Yb1 C3 89.45(16) . .
N4 Yb1 C3 98.73(16) 2_755 .
N1 Yb1 C3 48.74(16) . .
N4 Yb1 C3 140.34(16) . .
C4 Yb1 C3 28.54(15) . .
C1 Yb1 C3 47.08(18) . .
C33 Yb1 C3 135.57(18) . .
C36 Yb1 C3 111.32(17) . .
N5 Yb1 C2 114.65(13) . .
N2 Yb1 C2 111.53(16) . .
N4 Yb1 C2 75.03(15) 2_755 .
N1 Yb1 C2 48.33(17) . .
N4 Yb1 C2 136.88(16) . .
C4 Yb1 C2 46.89(17) . .
C1 Yb1 C2 28.42(17) . .
C33 Yb1 C2 153.92(19) . .
C36 Yb1 C2 111.59(17) . .
C3 Yb1 C2 28.18(16) . .
N5 Yb1 C34 114.98(13) . .
N2 Yb1 C34 75.20(16) . .
N4 Yb1 C34 105.96(16) 2_755 .
N1 Yb1 C34 139.75(15) . .
N4 Yb1 C34 46.35(15) . .
C4 Yb1 C34 112.91(18) . .
C1 Yb1 C34 156.22(19) . .
C33 Yb1 C34 26.45(16) . .
C36 Yb1 C34 44.04(17) . .
C3 Yb1 C34 109.14(18) . .
C2 Yb1 C34 130.26(18) . .
N5 Yb2 N3 84.47(14) . .
N5 Yb2 N1 84.17(14) . .
N3 Yb2 N1 168.64(15) . .
N5 Yb2 N3 83.64(14) . 2_755
N3 Yb2 N3 70.63(19) . 2_755
N1 Yb2 N3 108.49(14) . 2_755
N5 Yb2 N2 82.34(13) . .
N3 Yb2 N2 107.71(15) . .
N1 Yb2 N2 70.25(14) . .
N3 Yb2 N2 165.97(15) 2_755 .
N5 Yb2 C5 87.43(15) . .
N3 Yb2 C5 78.70(17) . .
N1 Yb2 C5 100.32(16) . .
N3 Yb2 C5 148.70(17) 2_755 .
N2 Yb2 C5 30.16(14) . .
N5 Yb2 C22 87.83(14) . 2_755
N3 Yb2 C22 100.50(18) . 2_755
N1 Yb2 C22 79.53(16) . 2_755
N3 Yb2 C22 29.91(14) 2_755 2_755
N2 Yb2 C22 148.95(17) . 2_755
C5 Yb2 C22 175.25(19) . 2_755
N5 Yb2 C25 110.99(16) . 2_755
N3 Yb2 C25 63.40(16) . 2_755
N1 Yb2 C25 121.65(16) . 2_755
N3 Yb2 C25 29.91(15) 2_755 2_755
N2 Yb2 C25 162.01(16) . 2_755
C5 Yb2 C25 134.84(18) . 2_755
C22 Yb2 C25 47.20(18) 2_755 2_755
N5 Yb2 C8 108.78(15) . .
N3 Yb2 C8 121.34(16) . .
N1 Yb2 C8 62.44(15) . .
N3 Yb2 C8 162.73(16) 2_755 .
N2 Yb2 C8 29.18(14) . .
C5 Yb2 C8 46.82(18) . .
C22 Yb2 C8 135.64(17) 2_755 .
C25 Yb2 C8 140.24(17) 2_755 .
N5 Yb2 C6 115.36(14) . .
N3 Yb2 C6 76.13(16) . .
N1 Yb2 C6 108.51(16) . .
N3 Yb2 C6 139.76(17) 2_755 .
N2 Yb2 C6 48.81(16) . .
C5 Yb2 C6 28.77(17) . .
C22 Yb2 C6 155.73(19) 2_755 .
C25 Yb2 C6 113.26(18) 2_755 .
C8 Yb2 C6 46.06(17) . .
N5 Yb2 C23 114.94(14) . 2_755
N3 Yb2 C23 109.67(18) . 2_755
N1 Yb2 C23 75.75(17) . 2_755
N3 Yb2 C23 48.50(16) 2_755 2_755
N2 Yb2 C23 139.94(16) . 2_755
C5 Yb2 C23 156.33(19) . 2_755
C22 Yb2 C23 28.30(17) 2_755 2_755
C25 Yb2 C23 46.32(18) 2_755 2_755
C8 Yb2 C23 114.29(18) . 2_755
C6 Yb2 C23 129.69(19) . 2_755
N5 Yb2 C24 131.06(15) . 2_755
N3 Yb2 C24 87.37(16) . 2_755
N1 Yb2 C24 100.47(16) . 2_755
N3 Yb2 C24 48.41(16) 2_755 2_755
N2 Yb2 C24 145.35(15) . 2_755
C5 Yb2 C24 137.70(19) . 2_755
C22 Yb2 C24 46.61(19) 2_755 2_755
C25 Yb2 C24 27.90(15) 2_755 2_755
C8 Yb2 C24 116.50(17) . 2_755
C6 Yb2 C24 109.15(18) . 2_755
C23 Yb2 C24 27.94(16) 2_755 2_755
O2 K1 O1 82.2(3) . .
O2 K1 O3 79.9(3) . .
O1 K1 O3 98.0(3) . .
O2 K1 C33 155.6(2) . .
O1 K1 C33 104.23(19) . .
O3 K1 C33 75.9(2) . .
O2 K1 N4 155.7(2) . .
O1 K1 N4 121.87(18) . .
O3 K1 N4 92.78(19) . .
C33 K1 N4 26.01(13) . .
O2 K1 C34 157.6(2) . .
O1 K1 C34 80.64(19) . .
O3 K1 C34 88.4(2) . .
C33 K1 C34 25.43(15) . .
N4 K1 C34 42.64(14) . .
O2 K1 C36 160.6(2) . .
O1 K1 C36 105.58(18) . .
O3 K1 C36 115.7(2) . .
C33 K1 C36 40.66(16) . .
N4 K1 C36 25.24(12) . .
C34 K1 C36 40.77(15) . .
O2 K1 C43 117.1(2) . .
O1 K1 C43 116.4(2) . .
O3 K1 C43 142.6(2) . .
C33 K1 C43 81.63(16) . .
N4 K1 C43 57.59(14) . .
C34 K1 C43 83.63(16) . .
C36 K1 C43 43.58(15) . .
O2 K1 C38 104.6(2) . .
O1 K1 C38 95.1(2) . .
O3 K1 C38 166.6(2) . .
C33 K1 C38 98.29(17) . .
N4 K1 C38 77.94(15) . .
C34 K1 C38 91.17(18) . .
C36 K1 C38 57.63(16) . .
C43 K1 C38 24.30(14) . .
O2 K1 C35 161.1(3) . .
O1 K1 C35 82.23(18) . .
O3 K1 C35 112.9(2) . .
C33 K1 C35 40.87(16) . .
N4 K1 C35 41.77(13) . .
C34 K1 C35 24.91(14) . .
C36 K1 C35 24.48(13) . .
C43 K1 C35 61.62(16) . .
C38 K1 C35 66.30(17) . .
O2 K1 C42 102.9(2) . .
O1 K1 C42 136.8(2) . .
O3 K1 C42 125.1(2) . .
C33 K1 C42 88.58(16) . .
N4 K1 C42 62.58(14) . .
C34 K1 C42 99.48(16) . .
C36 K1 C42 59.21(15) . .
C43 K1 C42 23.98(14) . .
C38 K1 C42 41.82(17) . .
C35 K1 C42 81.55(15) . .
O2 K1 C39 80.3(2) . .
O1 K1 C39 91.8(2) . .
O3 K1 C39 156.4(3) . .
C33 K1 C39 122.35(18) . .
N4 K1 C39 100.18(16) . .
C34 K1 C39 114.4(2) . .
C36 K1 C39 81.76(17) . .
C43 K1 C39 42.80(17) . .
C38 K1 C39 24.34(16) . .
C35 K1 C39 89.59(19) . .
C42 K1 C39 48.52(19) . .
C1 N1 C4 106.1(5) . .
C1 N1 Yb1 80.4(3) . .
C4 N1 Yb1 79.8(3) . .
C1 N1 Yb2 123.1(4) . .
C4 N1 Yb2 121.8(3) . .
Yb1 N1 Yb2 79.83(11) . .
C5 N2 C8 104.2(5) . .
C5 N2 Yb1 125.5(4) . .
C8 N2 Yb1 119.8(3) . .
C5 N2 Yb2 75.9(3) . .
C8 N2 Yb2 82.5(3) . .
Yb1 N2 Yb2 79.46(11) . .
C22 N3 C25 104.1(5) . .
C22 N3 Yb2 125.2(4) . .
C25 N3 Yb2 120.9(4) . .
C22 N3 Yb2 77.7(3) . 2_755
C25 N3 Yb2 80.3(3) . 2_755
Yb2 N3 Yb2 80.46(13) . 2_755
C33 N4 C36 104.1(5) . .
C33 N4 Yb1 124.9(4) . 2_755
C36 N4 Yb1 124.2(4) . 2_755
C33 N4 Yb1 80.6(3) . .
C36 N4 Yb1 84.7(3) . .
Yb1 N4 Yb1 79.22(13) 2_755 .
C33 N4 K1 74.3(3) . .
C36 N4 K1 82.7(3) . .
Yb1 N4 K1 131.59(17) 2_755 .
Yb1 N4 K1 148.12(18) . .
Yb1 N5 Yb1 90.2(2) 2_755 .
Yb1 N5 Yb2 89.91(2) 2_755 2_755
Yb1 N5 Yb2 179.67(13) . 2_755
Yb1 N5 Yb2 179.67(13) 2_755 .
Yb1 N5 Yb2 89.91(2) . .
Yb2 N5 Yb2 89.9(2) 2_755 .
N1 C1 C2 111.0(6) . .
N1 C1 Yb1 70.0(3) . .
C2 C1 Yb1 83.8(4) . .
C1 C2 C3 106.2(6) . .
C1 C2 Yb1 67.7(3) . .
C3 C2 Yb1 75.3(3) . .
C4 C3 C2 106.1(6) . .
C4 C3 Yb1 68.1(3) . .
C2 C3 Yb1 76.5(3) . .
N1 C4 C3 110.5(5) . .
N1 C4 C9 119.4(5) . .
C3 C4 C9 130.0(6) . .
N1 C4 Yb1 70.0(3) . .
C3 C4 Yb1 83.3(4) . .
C9 C4 Yb1 115.1(4) . .
N2 C5 C6 110.9(6) . .
N2 C5 Yb2 73.9(3) . .
C6 C5 Yb2 82.6(4) . .
C5 C6 C7 107.1(6) . .
C5 C6 Yb2 68.6(3) . .
C7 C6 Yb2 79.5(4) . .
C8 C7 C6 106.2(6) . .
C8 C7 Yb2 71.8(3) . .
C6 C7 Yb2 72.5(4) . .
C7 C8 N2 111.5(5) . .
C7 C8 C9 131.4(5) . .
N2 C8 C9 117.0(5) . .
C7 C8 Yb2 80.6(4) . .
N2 C8 Yb2 68.3(3) . .
C9 C8 Yb2 115.4(3) . .
C4 C9 C8 106.7(4) . .
C4 C9 C21 112.0(5) . .
C8 C9 C21 108.9(5) . .
C4 C9 C15 108.8(5) . .
C8 C9 C15 111.9(5) . .
C21 C9 C15 108.7(5) . .
C11 C10 C15 121.8(6) . .
C10 C11 C12 120.2(7) . .
C13 C12 C11 120.7(7) . .
C12 C13 C14 118.9(7) . .
C15 C14 C13 121.4(6) . .
C10 C15 C14 116.9(6) . .
C10 C15 C9 124.5(5) . .
C14 C15 C9 118.6(5) . .
C21 C16 C17 120.6(6) . .
C18 C17 C16 120.4(7) . .
C19 C18 C17 118.7(7) . .
C18 C19 C20 121.7(7) . .
C19 C20 C21 120.8(7) . .
C16 C21 C20 117.7(6) . .
C16 C21 C9 122.2(6) . .
C20 C21 C9 120.0(6) . .
C23 C22 N3 111.5(6) . .
C23 C22 Yb2 83.1(4) . 2_755
N3 C22 Yb2 72.3(3) . 2_755
C22 C23 C24 107.1(6) . .
C22 C23 Yb2 68.6(4) . 2_755
C24 C23 Yb2 77.7(4) . 2_755
C25 C24 C23 106.1(6) . .
C25 C24 Yb2 69.7(3) . 2_755
C23 C24 Yb2 74.3(4) . 2_755
C24 C25 N3 111.2(5) . .
C24 C25 C26 131.9(6) . .
N3 C25 C26 116.8(5) . .
C24 C25 Yb2 82.4(4) . 2_755
N3 C25 Yb2 69.8(3) . 2_755
C26 C25 Yb2 115.8(4) . 2_755
C25 C26 C25 107.3(7) 2_755 .
C25 C26 C32 110.6(3) 2_755 2_755
C25 C26 C32 110.3(3) . 2_755
C25 C26 C32 110.3(3) 2_755 .
C25 C26 C32 110.6(3) . .
C32 C26 C32 107.9(7) 2_755 .
C28 C27 C32 122.3(7) . .
C29 C28 C27 119.0(7) . .
C28 C29 C30 119.6(7) . .
C31 C30 C29 120.6(7) . .
C32 C31 C30 122.4(7) . .
C31 C32 C27 116.2(6) . .
C31 C32 C26 124.8(6) . .
C27 C32 C26 118.9(6) . .
C34 C33 N4 111.8(6) . .
C34 C33 Yb1 90.6(4) . .
N4 C33 Yb1 69.6(3) . .
C34 C33 K1 82.9(4) . .
N4 C33 K1 79.7(3) . .
Yb1 C33 K1 143.6(2) . .
C33 C34 C35 106.8(6) . .
C33 C34 Yb1 63.0(3) . .
C35 C34 Yb1 78.8(3) . .
C33 C34 K1 71.7(4) . .
C35 C34 K1 83.0(4) . .
Yb1 C34 K1 122.8(2) . .
C36 C35 C34 106.0(6) . .
C36 C35 Yb1 65.1(3) . .
C34 C35 Yb1 75.0(3) . .
C36 C35 K1 74.6(3) . .
C34 C35 K1 72.0(4) . .
Yb1 C35 K1 116.98(19) . .
N4 C36 C35 111.3(5) . .
N4 C36 C37 116.3(5) . .
C35 C36 C37 132.1(5) . .
N4 C36 Yb1 66.2(3) . .
C35 C36 Yb1 88.6(4) . .
C37 C36 Yb1 115.1(4) . .
N4 C36 K1 72.1(3) . .
C35 C36 K1 80.9(4) . .
C37 C36 K1 108.3(3) . .
Yb1 C36 K1 129.4(2) . .
C36 C37 C36 108.6(6) 2_755 .
C36 C37 C43 103.3(3) 2_755 2_755
C36 C37 C43 115.5(3) . 2_755
C36 C37 C43 115.5(3) 2_755 .
C36 C37 C43 103.3(3) . .
C43 C37 C43 111.1(7) 2_755 .
C43 C38 C39 121.0(7) . .
C43 C38 K1 77.1(4) . .
C39 C38 K1 81.2(4) . .
C40 C39 C38 119.5(8) . .
C40 C39 K1 81.9(5) . .
C38 C39 K1 74.4(4) . .
C39 C40 C41 120.2(8) . .
C39 C40 K1 75.2(5) . .
C41 C40 K1 77.9(5) . .
C40 C41 C42 120.0(8) . .
C40 C41 K1 79.1(5) . .
C42 C41 K1 73.8(4) . .
C43 C42 C41 121.0(7) . .
C43 C42 K1 75.5(4) . .
C41 C42 K1 82.5(4) . .
C42 C43 C38 118.2(6) . .
C42 C43 C37 122.3(6) . .
C38 C43 C37 119.1(6) . .
C42 C43 K1 80.6(4) . .
C38 C43 K1 78.6(4) . .
C37 C43 K1 104.8(3) . .
C44 O1 C47 109.0(8) . .
C44 O1 K1 124.6(6) . .
C47 O1 K1 126.3(6) . .
O1 C44 C45 110.6(9) . .
C44 C45 C46 102.9(9) . .
C47 C46 C45 104.1(9) . .
O1 C47 C46 107.8(8) . .
C48 O2 C51 102.4(8) . .
C48 O2 K1 122.6(8) . .
C51 O2 K1 134.6(8) . .
O2 C48 C49 116.0(12) . .
C48 C49 C50 93.7(12) . .
C49 C50 C51 95.1(12) . .
O2 C51 C50 102.8(10) . .
C52 O3 C55 108.5(8) . .
C52 O3 K1 126.7(8) . .
C55 O3 K1 124.1(8) . .
O3 C52 C53 106.7(11) . .
C52 C53 C54 98.3(11) . .
C55 C54 C53 95.5(11) . .
O3 C55 C54 100.5(11) . .
C59 O4 C56 108.8(8) . .
O4 C56 C57 108.7(8) . .
C58 C57 C56 104.1(8) . .
C57 C58 C59 102.9(9) . .
O4 C59 C58 108.9(9) . .
loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_site_symmetry_2
Yb1 N5 2.338(5) .
Yb1 N2 2.559(5) .
Yb1 N4 2.595(5) 2_755
Yb1 N1 2.602(5) .
Yb1 N4 2.603(5) .
Yb1 C4 2.726(5) .
Yb1 C1 2.731(6) .
Yb1 C33 2.740(6) .
Yb1 C36 2.834(6) .
Yb1 C3 2.918(6) .
Yb1 C2 2.934(6) .
Yb1 C34 3.076(6) .
Yb2 N5 2.392(5) .
Yb2 N3 2.598(5) .
Yb2 N1 2.606(5) .
Yb2 N3 2.636(5) 2_755
Yb2 N2 2.668(5) .
Yb2 C5 2.692(6) .
Yb2 C22 2.703(6) 2_755
Yb2 C25 2.768(6) 2_755
Yb2 C8 2.847(6) .
Yb2 C6 2.868(6) .
Yb2 C23 2.883(6) 2_755
Yb2 C24 2.926(6) 2_755
K1 O2 2.685(6) .
K1 O1 2.716(6) .
K1 O3 2.719(6) .
K1 C33 3.028(6) .
K1 N4 3.095(5) .
K1 C34 3.166(7) .
K1 C36 3.226(6) .
K1 C43 3.283(6) .
K1 C38 3.300(7) .
K1 C35 3.304(6) .
K1 C42 3.345(7) .
K1 C39 3.386(8) .
N1 C1 1.370(7) .
N1 C4 1.392(7) .
N2 C5 1.395(7) .
N2 C8 1.400(7) .
N3 C22 1.379(7) .
N3 C25 1.400(7) .
N3 Yb2 2.636(5) 2_755
N4 C33 1.380(7) .
N4 C36 1.387(7) .
N4 Yb1 2.595(5) 2_755
N5 Yb1 2.338(4) 2_755
N5 Yb2 2.392(4) 2_755
C1 C2 1.404(8) .
C2 C3 1.424(8) .
C3 C4 1.403(7) .
C4 C9 1.510(7) .
C5 C6 1.392(8) .
C6 C7 1.409(8) .
C7 C8 1.387(7) .
C8 C9 1.548(8) .
C9 C21 1.535(8) .
C9 C15 1.537(7) .
C10 C11 1.373(8) .
C10 C15 1.384(8) .
C11 C12 1.379(9) .
C12 C13 1.356(9) .
C13 C14 1.413(8) .
C14 C15 1.398(8) .
C16 C21 1.379(8) .
C16 C17 1.404(8) .
C17 C18 1.373(9) .
C18 C19 1.358(8) .
C19 C20 1.375(8) .
C20 C21 1.392(8) .
C22 C23 1.377(8) .
C22 Yb2 2.703(6) 2_755
C23 C24 1.403(8) .
C23 Yb2 2.883(6) 2_755
C24 C25 1.381(7) .
C24 Yb2 2.926(6) 2_755
C25 C26 1.528(7) .
C25 Yb2 2.768(6) 2_755
C26 C25 1.528(7) 2_755
C26 C32 1.550(7) 2_755
C26 C32 1.550(7) .
C27 C28 1.392(8) .
C27 C32 1.408(8) .
C28 C29 1.372(9) .
C29 C30 1.382(9) .
C30 C31 1.372(8) .
C31 C32 1.371(8) .
C33 C34 1.370(8) .
C34 C35 1.402(8) .
C35 C36 1.386(8) .
C36 C37 1.524(7) .
C37 C36 1.524(7) 2_755
C37 C43 1.558(7) 2_755
C37 C43 1.558(7) .
C38 C43 1.386(8) .
C38 C39 1.412(9) .
C39 C40 1.363(11) .
C40 C41 1.380(10) .
C41 C42 1.401(8) .
C42 C43 1.378(8) .
O1 C44 1.370(9) .
O1 C47 1.395(9) .
C44 C45 1.460(11) .
C45 C46 1.504(11) .
C46 C47 1.461(10) .
O2 C48 1.314(11) .
O2 C51 1.356(11) .
C48 C49 1.411(12) .
C49 C50 1.478(14) .
C50 C51 1.539(13) .
O3 C52 1.396(11) .
O3 C55 1.417(11) .
C52 C53 1.454(13) .
C53 C54 1.535(15) .
C54 C55 1.530(14) .
O4 C59 1.318(9) .
O4 C56 1.388(9) .
C56 C57 1.484(10) .
C57 C58 1.441(10) .
C58 C59 1.497(11) .
