# Electronic Supplementary Material (ESI) for Chemical Communications
# This journal is © The Royal Society of Chemistry 2013


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#                                CCDC 
# 
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# 
#  This CIF contains data from an original supplementary publication 
#  deposited with the CCDC, and may include chemical, crystal,   
#  experimental, refinement, atomic coordinates, 
#  anisotropic displacement parameters and molecular geometry data,
#  as required by the journal to which it was submitted. 
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#  fide research purposes only. It may contain copyright material 
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data_pwyz2-1a
_database_code_depnum_ccdc_archive 'CCDC 832669'
#TrackingRef 'pwyz2-1a.cif'
_audit_creation_method           SHELXL-97
_chemical_name_systematic        
;
?
;
_chemical_name_common            ?
_chemical_melting_point          ?
_chemical_formula_moiety         ?
_chemical_formula_sum            'C28.50 H17.50 Cl15 N2.50 O8.50 Yb'
_chemical_formula_weight         1235.74
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'
Cl Cl 0.1484 0.1585 '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'
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'
_symmetry_cell_setting           monoclinic
_symmetry_space_group_name_H-M   'P 1 21/n 1'
_symmetry_space_group_name_Hall  '-P 2yn'
_symmetry_Int_Tables_number      14
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'
_cell_length_a                   7.7050(2)
_cell_length_b                   20.5764(7)
_cell_length_c                   25.2321(8)
_cell_angle_alpha                90.00
_cell_angle_beta                 96.087(2)
_cell_angle_gamma                90.00
_cell_volume                     3977.8(2)
_cell_formula_units_Z            4
_cell_measurement_temperature    120(2)
_cell_measurement_reflns_used    8985
_cell_measurement_theta_max      27.48
_cell_measurement_theta_min      2.91
_exptl_crystal_description       rod
_exptl_crystal_colour            yellow
_exptl_crystal_size_max          0.36
_exptl_crystal_size_mid          0.05
_exptl_crystal_size_min          0.03
_exptl_crystal_density_meas      ?
_exptl_crystal_density_diffrn    2.063
_exptl_crystal_density_method    'not measured'
_exptl_crystal_F_000             2396
_exptl_absorpt_coefficient_mu    3.412
_exptl_absorpt_correction_type   Multi-scan
_exptl_absorpt_correction_T_min  0.3730
_exptl_absorpt_correction_T_max  0.9046
_exptl_absorpt_process_details   'SADABS V2.10 (Sheldrick, G.M., 2003)'
_diffrn_ambient_temperature      120(2)
_diffrn_radiation_wavelength     0.71073
_diffrn_radiation_type           MoK\a
_diffrn_radiation_source         'Bruker-Nonius FR591 rotating anode'
_diffrn_radiation_monochromator  '10cm confocal mirrors'
_diffrn_measurement_device_type  'Bruker-Nonius 95mm CCD camera on \k-goniostat'
_diffrn_measurement_method       '\f & \w scans'
_diffrn_detector_area_resol_mean 9.091
_diffrn_reflns_number            44322
_diffrn_reflns_av_R_equivalents  0.0590
_diffrn_reflns_av_sigmaI/netI    0.0520
_diffrn_reflns_limit_h_min       -10
_diffrn_reflns_limit_h_max       9
_diffrn_reflns_limit_k_min       -26
_diffrn_reflns_limit_k_max       26
_diffrn_reflns_limit_l_min       -32
_diffrn_reflns_limit_l_max       32
_diffrn_reflns_theta_min         3.03
_diffrn_reflns_theta_max         27.52
_reflns_number_total             9052
_reflns_number_gt                6788
_reflns_threshold_expression     >2\s(I)
_computing_data_collection       'COLLECT (Hooft, R.W.W., 1998)'
_computing_cell_refinement       
'DENZO (Otwinowski & Minor, 1997) & COLLECT (Hooft, R.W.W., 1998)'
#Although determined using DirAx, the cell is refined in the HKL
#package during data reduction
_computing_data_reduction        
'DENZO (Otwinowski & Minor, 1997) & COLLECT (Hooft, R.W.W., 1998)'
_computing_structure_solution    'DIRDIF08 (Beurskens et al, 2008)'
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 2008)'
_computing_molecular_graphics    'Ortep-3 for Windows (Farrugia, 1997)'
_computing_publication_material  'WinGX publication routines (Farrugia, 1999)'
_refine_special_details          
;
Refinement of F^2^ against ALL reflections. The weighted R-factor wR and
goodness of fit S are based on F^2^, conventional R-factors R are based
on F, with F set to zero for negative F^2^. The threshold expression of
F^2^ > 2\s(F^2^) is used only for calculating R-factors(gt) etc. and is
not relevant to the choice of reflections for refinement. R-factors based
on F^2^ are statistically about twice as large as those based on F, and R-
factors based on ALL data will be even larger.
;
_refine_ls_structure_factor_coef Fsqd
_refine_ls_matrix_type           full
_refine_ls_weighting_scheme      calc
_refine_ls_weighting_details     
'calc w=1/[\s^2^(Fo^2^)+(0.0295P)^2^+34.8783P] where P=(Fo^2^+2Fc^2^)/3'
_atom_sites_solution_primary     direct
_atom_sites_solution_secondary   difmap
_atom_sites_solution_hydrogens   geom
_refine_ls_hydrogen_treatment    constr
_refine_ls_extinction_method     none
_refine_ls_extinction_coef       ?
_refine_ls_number_reflns         9052
_refine_ls_number_parameters     538
_refine_ls_number_restraints     0
_refine_ls_R_factor_all          0.0861
_refine_ls_R_factor_gt           0.0591
_refine_ls_wR_factor_ref         0.1308
_refine_ls_wR_factor_gt          0.1180
_refine_ls_goodness_of_fit_ref   1.042
_refine_ls_restrained_S_all      1.042
_refine_ls_shift/su_max          0.002
_refine_ls_shift/su_mean         0.000
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
C1 C 0.0771(9) 0.1277(3) 0.7574(3) 0.0350(15) Uani 1 1 d . . .
C2 C 0.0807(10) 0.0742(4) 0.7191(3) 0.0393(16) Uani 1 1 d . . .
C3 C 0.0301(10) 0.0773(4) 0.6639(3) 0.0420(17) Uani 1 1 d . . .
C4 C -0.0497(10) 0.1279(4) 0.6330(3) 0.0427(17) Uani 1 1 d . . .
C5 C -0.0760(9) 0.1924(3) 0.6473(3) 0.0364(15) Uani 1 1 d . . .
C6 C -0.0191(9) 0.2229(4) 0.6964(3) 0.0375(16) Uani 1 1 d . . .
C7 C 0.0514(9) 0.1943(4) 0.7439(3) 0.0390(16) Uani 1 1 d . . .
C8 C 0.3039(10) 0.1236(3) 0.9066(3) 0.0401(17) Uani 1 1 d . A .
C9 C 0.4458(10) 0.1255(3) 0.8720(3) 0.0402(17) Uani 1 1 d . A .
C10 C 0.5776(10) 0.1741(4) 0.8738(3) 0.0455(19) Uani 1 1 d . . .
C11 C 0.5737(10) 0.2378(4) 0.8931(3) 0.048(2) Uani 1 1 d . . .
C12 C 0.4388(11) 0.2701(3) 0.9151(3) 0.048(2) Uani 1 1 d . . .
C13 C 0.2938(11) 0.2425(4) 0.9345(3) 0.0459(19) Uani 1 1 d . . .
C14 C 0.2454(11) 0.1765(4) 0.9354(3) 0.0459(19) Uani 1 1 d . . .
C15 C 0.2130(9) -0.1354(3) 0.8776(3) 0.0333(15) Uani 1 1 d . A .
C16 C 0.1213(8) -0.1430(3) 0.8236(3) 0.0307(14) Uani 1 1 d . . .
C17 C 0.0546(8) -0.2023(3) 0.7998(3) 0.0329(15) Uani 1 1 d . . .
C18 C 0.0554(9) -0.2653(3) 0.8199(3) 0.0375(16) Uani 1 1 d . . .
C19 C 0.1140(9) -0.2875(3) 0.8715(3) 0.0379(16) Uani 1 1 d . . .
C20 C 0.1953(9) -0.2513(3) 0.9141(3) 0.0368(15) Uani 1 1 d . . .
C21 C 0.2411(9) -0.1854(3) 0.9164(3) 0.0341(15) Uani 1 1 d . . .
C22 C -0.1248(13) 0.0099(4) 0.8961(3) 0.058(2) Uani 1 1 d . . .
H22 H -0.0958 0.0507 0.9122 0.069 Uiso 1 1 calc R . .
C23 C -0.3249(13) -0.0057(5) 0.9627(3) 0.064(2) Uani 1 1 d . . .
H23A H -0.2827 0.0370 0.9755 0.096 Uiso 1 1 calc R . .
H23B H -0.3066 -0.0373 0.9918 0.096 Uiso 1 1 calc R . .
H23C H -0.4497 -0.0030 0.9505 0.096 Uiso 1 1 calc R . .
C24 C -0.2792(13) -0.0901(4) 0.8959(3) 0.062(2) Uani 1 1 d . . .
H24A H -0.2206 -0.0969 0.8637 0.093 Uiso 1 1 calc R . .
H24B H -0.4059 -0.0918 0.8867 0.093 Uiso 1 1 calc R . .
H24C H -0.2436 -0.1242 0.9219 0.093 Uiso 1 1 calc R . .
Cl1 Cl 0.0635(4) 0.00454(11) 0.63270(8) 0.0721(8) Uani 1 1 d . . .
Cl2 Cl -0.1235(3) 0.10662(11) 0.56794(8) 0.0609(6) Uani 1 1 d . . .
Cl3 Cl -0.1825(2) 0.24149(9) 0.59820(7) 0.0465(4) Uani 1 1 d . . .
Cl4 Cl -0.0437(3) 0.30611(9) 0.69748(7) 0.0445(4) Uani 1 1 d . . .
Cl5 Cl 0.1122(3) 0.24514(10) 0.79754(8) 0.0539(5) Uani 1 1 d . . .
Cl6 Cl 0.7611(3) 0.14891(11) 0.84545(10) 0.0611(6) Uani 1 1 d . . .
Cl7 Cl 0.7595(3) 0.28342(11) 0.88619(9) 0.0649(7) Uani 1 1 d . . .
Cl8 Cl 0.4565(4) 0.35445(10) 0.91860(11) 0.0739(8) Uani 1 1 d . . .
Cl9 Cl 0.1557(3) 0.29563(12) 0.96232(11) 0.0731(8) Uani 1 1 d . . .
Cl10 Cl 0.0763(3) 0.15643(12) 0.97237(8) 0.0639(6) Uani 1 1 d . . .
Cl11 Cl -0.0401(3) -0.18970(9) 0.73507(7) 0.0460(4) Uani 1 1 d . . .
Cl12 Cl -0.0302(3) -0.32413(10) 0.77577(9) 0.0582(6) Uani 1 1 d . . .
Cl13 Cl 0.0790(3) -0.36908(9) 0.88405(10) 0.0606(6) Uani 1 1 d . . .
Cl14 Cl 0.2547(4) -0.29417(10) 0.97274(8) 0.0619(6) Uani 1 1 d . . .
Cl15 Cl 0.3532(3) -0.15682(9) 0.97553(7) 0.0504(5) Uani 1 1 d . . .
Yb1 Yb 0.21565(5) 0.006712(15) 0.829976(11) 0.03884(11) Uani 1 1 d . . .
N1 N -0.2301(8) -0.0260(3) 0.9190(2) 0.0347(13) Uani 1 1 d . . .
N2 N 0.5663(9) -0.0488(3) 0.7168(2) 0.0445(15) Uani 1 1 d . . .
O1 O 0.1142(6) 0.1116(2) 0.80530(18) 0.0398(11) Uani 1 1 d . A .
O2 O 0.1395(8) 0.0217(2) 0.74023(19) 0.0503(14) Uani 1 1 d . A .
O3 O 0.2299(7) 0.0686(2) 0.90746(18) 0.0462(13) Uani 1 1 d . A .
O4 O 0.4577(7) 0.0754(2) 0.8440(2) 0.0469(13) Uani 1 1 d . A .
O5 O 0.2652(7) -0.0783(2) 0.88850(18) 0.0395(12) Uani 1 1 d . A .
O6 O 0.1052(7) -0.0920(2) 0.79639(18) 0.0416(12) Uani 1 1 d . A .
O7 O -0.0575(7) -0.0029(3) 0.85538(19) 0.0468(13) Uani 1 1 d . A .
O8 O 0.4416(8) -0.0410(3) 0.7931(2) 0.0531(14) Uani 1 1 d . A .
C25 C 0.580(2) -0.0306(7) 0.7677(6) 0.041(2) Uani 0.478(12) 1 d P A 1
H25 H 0.6828 -0.0112 0.7847 0.049 Uiso 0.478(12) 1 calc PR A 1
C26 C 0.444(2) -0.0881(9) 0.6914(7) 0.052(3) Uani 0.493(12) 1 d P A 1
H26A H 0.4982 -0.1292 0.6824 0.079 Uiso 0.493(12) 1 calc PR A 1
H26B H 0.3924 -0.0669 0.6587 0.079 Uiso 0.493(12) 1 calc PR A 1
H26C H 0.3526 -0.0968 0.7147 0.079 Uiso 0.493(12) 1 calc PR A 1
C27 C 0.728(3) -0.0337(11) 0.6882(7) 0.066(4) Uani 0.484(13) 1 d P A 1
H27A H 0.7677 -0.0735 0.6719 0.099 Uiso 0.484(13) 1 calc PR A 1
H27B H 0.8209 -0.0167 0.7139 0.099 Uiso 0.484(13) 1 calc PR A 1
H27C H 0.6976 -0.0011 0.6604 0.099 Uiso 0.484(13) 1 calc PR A 1
C25' C 0.420(2) -0.0548(6) 0.7432(5) 0.041(2) Uani 0.522(12) 1 d P A 2
H25' H 0.3100 -0.0681 0.7257 0.049 Uiso 0.522(12) 1 calc PR A 2
C26' C 0.705(2) -0.0130(8) 0.7361(7) 0.052(3) Uani 0.507(12) 1 d P A 2
H26D H 0.8087 -0.0409 0.7417 0.079 Uiso 0.507(12) 1 calc PR A 2
H26E H 0.6828 0.0067 0.7700 0.079 Uiso 0.507(12) 1 calc PR A 2
H26F H 0.7257 0.0213 0.7105 0.079 Uiso 0.507(12) 1 calc PR A 2
C27' C 0.539(3) -0.0727(10) 0.6609(7) 0.066(4) Uani 0.516(13) 1 d P A 2
H27D H 0.6248 -0.1064 0.6555 0.099 Uiso 0.516(13) 1 calc PR A 2
H27E H 0.5518 -0.0365 0.6364 0.099 Uiso 0.516(13) 1 calc PR A 2
H27F H 0.4208 -0.0909 0.6539 0.099 Uiso 0.516(13) 1 calc PR A 2
N3 N 0.5000 0.0000 0.5000 0.072(4) Uani 1 2 d S . .
C28 C 0.333(4) -0.0005(10) 0.5239(12) 0.097(9) Uani 0.50 1 d P . .
O9 O 0.426(3) 0.0831(10) 0.4548(9) 0.131(8) Uani 0.50 1 d P . .
C29 C 0.551(6) 0.0443(11) 0.4615(11) 0.125(13) Uani 0.50 1 d P . .
C30 C 0.354(4) 0.0438(9) 0.4837(10) 0.093(8) Uani 0.50 1 d P . .
loop_
_atom_site_aniso_label
_atom_site_aniso_U_11
_atom_site_aniso_U_22
_atom_site_aniso_U_33
_atom_site_aniso_U_23
_atom_site_aniso_U_13
_atom_site_aniso_U_12
C1 0.035(4) 0.046(4) 0.024(3) 0.000(3) 0.000(3) -0.008(3)
C2 0.047(4) 0.042(4) 0.029(4) -0.001(3) 0.004(3) -0.010(3)
C3 0.059(5) 0.044(4) 0.023(3) 0.002(3) 0.002(3) 0.003(4)
C4 0.049(5) 0.051(4) 0.029(4) -0.004(3) 0.007(3) 0.003(4)
C5 0.036(4) 0.042(4) 0.032(4) 0.006(3) 0.006(3) 0.003(3)
C6 0.031(4) 0.046(4) 0.037(4) 0.000(3) 0.008(3) -0.002(3)
C7 0.037(4) 0.047(4) 0.033(4) -0.002(3) 0.006(3) -0.011(3)
C8 0.054(5) 0.033(4) 0.029(4) 0.004(3) -0.017(3) -0.012(3)
C9 0.041(4) 0.029(4) 0.045(4) 0.007(3) -0.017(3) -0.003(3)
C10 0.044(4) 0.038(4) 0.049(4) 0.009(3) -0.022(3) -0.007(3)
C11 0.045(4) 0.041(4) 0.051(5) 0.012(3) -0.022(4) -0.013(3)
C12 0.054(5) 0.028(4) 0.053(5) 0.004(3) -0.033(4) -0.004(3)
C13 0.055(5) 0.038(4) 0.038(4) -0.008(3) -0.027(4) 0.000(3)
C14 0.056(5) 0.045(4) 0.033(4) -0.004(3) -0.015(3) -0.010(4)
C15 0.031(4) 0.040(4) 0.029(3) -0.004(3) 0.003(3) -0.009(3)
C16 0.029(3) 0.035(3) 0.028(3) 0.000(3) 0.007(3) -0.002(3)
C17 0.026(3) 0.042(4) 0.031(3) -0.011(3) 0.002(3) 0.000(3)
C18 0.033(4) 0.033(4) 0.048(4) -0.013(3) 0.008(3) 0.000(3)
C19 0.038(4) 0.030(3) 0.048(4) 0.003(3) 0.016(3) -0.003(3)
C20 0.041(4) 0.034(4) 0.038(4) 0.003(3) 0.012(3) 0.000(3)
C21 0.036(4) 0.041(4) 0.026(3) 0.001(3) 0.005(3) -0.002(3)
C22 0.088(7) 0.038(4) 0.047(5) 0.006(4) 0.008(5) -0.008(4)
C23 0.076(6) 0.074(6) 0.043(5) 0.009(4) 0.012(4) 0.022(5)
C24 0.078(6) 0.060(5) 0.049(5) -0.007(4) 0.009(5) -0.027(5)
Cl1 0.129(2) 0.0527(12) 0.0296(10) -0.0077(9) -0.0135(11) 0.0316(13)
Cl2 0.0867(16) 0.0600(13) 0.0320(10) -0.0059(8) -0.0128(10) 0.0238(11)
Cl3 0.0457(11) 0.0498(11) 0.0417(10) 0.0009(8) -0.0055(8) 0.0090(8)
Cl4 0.0533(11) 0.0409(10) 0.0397(10) 0.0008(7) 0.0071(8) 0.0032(8)
Cl5 0.0777(15) 0.0465(11) 0.0355(10) -0.0027(8) -0.0039(9) -0.0138(10)
Cl6 0.0368(11) 0.0647(13) 0.0780(15) 0.0043(11) -0.0124(10) -0.0071(9)
Cl7 0.0689(14) 0.0530(12) 0.0657(14) 0.0139(10) -0.0259(11) -0.0320(11)
Cl8 0.0962(18) 0.0289(10) 0.0864(17) 0.0056(10) -0.0382(14) -0.0048(11)
Cl9 0.0601(14) 0.0604(14) 0.0905(18) -0.0394(13) -0.0314(12) 0.0069(11)
Cl10 0.0768(16) 0.0730(15) 0.0414(11) -0.0168(10) 0.0037(10) -0.0171(12)
Cl11 0.0517(11) 0.0466(10) 0.0367(9) -0.0121(8) -0.0089(8) -0.0001(8)
Cl12 0.0607(13) 0.0407(10) 0.0694(14) -0.0161(9) -0.0113(11) -0.0087(9)
Cl13 0.0745(15) 0.0329(10) 0.0744(15) 0.0046(9) 0.0077(12) -0.0081(9)
Cl14 0.1051(18) 0.0418(11) 0.0394(11) 0.0110(8) 0.0111(11) -0.0009(11)
Cl15 0.0771(14) 0.0447(10) 0.0274(9) 0.0030(7) -0.0045(9) -0.0045(9)
Yb1 0.0570(2) 0.03512(17) 0.02311(15) 0.00202(12) -0.00187(12) -0.01564(15)
N1 0.045(3) 0.025(3) 0.033(3) 0.001(2) 0.001(3) -0.007(2)
N2 0.066(4) 0.037(3) 0.032(3) -0.001(3) 0.012(3) -0.002(3)
O1 0.048(3) 0.048(3) 0.022(2) -0.001(2) -0.004(2) -0.005(2)
O2 0.087(4) 0.035(3) 0.026(3) 0.004(2) -0.004(3) -0.010(3)
O3 0.072(4) 0.038(3) 0.026(3) 0.001(2) -0.006(2) -0.021(3)
O4 0.040(3) 0.035(3) 0.062(4) -0.005(2) -0.008(3) -0.003(2)
O5 0.053(3) 0.038(3) 0.026(2) 0.0020(19) -0.003(2) -0.016(2)
O6 0.061(3) 0.037(3) 0.025(2) 0.000(2) -0.005(2) -0.012(2)
O7 0.061(3) 0.051(3) 0.030(3) -0.004(2) 0.011(2) -0.024(3)
O8 0.073(4) 0.051(3) 0.038(3) -0.009(2) 0.021(3) -0.015(3)
C25 0.053(7) 0.035(5) 0.034(5) -0.004(4) -0.001(5) -0.003(5)
C26 0.047(7) 0.060(7) 0.051(7) -0.006(6) 0.010(5) -0.020(6)
C27 0.070(9) 0.089(10) 0.042(7) -0.014(6) 0.018(6) 0.001(7)
C25' 0.053(7) 0.035(5) 0.034(5) -0.004(4) -0.001(5) -0.003(5)
C26' 0.047(7) 0.060(7) 0.051(7) -0.006(6) 0.010(5) -0.020(6)
C27' 0.070(9) 0.089(10) 0.042(7) -0.014(6) 0.018(6) 0.001(7)
N3 0.133(12) 0.038(6) 0.045(6) -0.016(5) 0.003(7) -0.006(7)
C28 0.12(2) 0.036(11) 0.14(2) -0.047(13) 0.062(19) -0.029(12)
O9 0.139(18) 0.084(13) 0.16(2) 0.033(14) -0.014(15) -0.004(13)
C29 0.25(4) 0.036(12) 0.084(18) 0.022(11) -0.02(2) -0.004(19)
C30 0.17(3) 0.020(9) 0.089(17) -0.016(9) 0.018(17) -0.006(13)
_geom_special_details            
;
All s.u.'s (except the s.u. in the dihedral angle between two l.s. planes)
are estimated using the full covariance matrix. The cell s.u.'s are taken
into account individually in the estimation of s.u.'s in distances, angles
and torsion angles; correlations between s.u.'s in cell parameters are only
used when they are defined by crystal symmetry. An approximate (isotropic)
treatment of cell s.u.'s is used for estimating s.u.'s involving l.s. planes.
;
loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_site_symmetry_2
_geom_bond_publ_flag
C1 O1 1.257(8) . ?
C1 C7 1.419(10) . ?
C1 C2 1.468(10) . ?
C1 Yb1 3.207(7) . ?
C2 O2 1.267(9) . ?
C2 C3 1.407(9) . ?
C2 Yb1 3.197(7) . ?
C3 C4 1.403(10) . ?
C3 Cl1 1.724(8) . ?
C4 C5 1.395(10) . ?
C4 Cl2 1.735(7) . ?
C5 C6 1.416(10) . ?
C5 Cl3 1.737(7) . ?
C6 C7 1.392(10) . ?
C6 Cl4 1.724(7) . ?
C7 Cl5 1.736(7) . ?
C8 O3 1.268(8) . ?
C8 C14 1.410(11) . ?
C8 C9 1.471(11) . ?
C8 Yb1 3.115(7) . ?
C9 O4 1.257(9) . ?
C9 C10 1.422(10) . ?
C9 Yb1 3.137(7) . ?
C10 C11 1.400(11) . ?
C10 Cl6 1.730(9) . ?
C11 C12 1.398(12) . ?
C11 Cl7 1.736(8) . ?
C12 C13 1.388(12) . ?
C12 Cl8 1.743(7) . ?
C13 C14 1.409(10) . ?
C13 Cl9 1.726(8) . ?
C14 Cl10 1.730(9) . ?
C15 O5 1.264(8) . ?
C15 C21 1.420(9) . ?
C15 C16 1.476(9) . ?
C15 Yb1 3.164(7) . ?
C16 O6 1.253(8) . ?
C16 C17 1.431(9) . ?
C16 Yb1 3.165(7) . ?
C17 C18 1.392(10) . ?
C17 Cl11 1.736(7) . ?
C18 C19 1.410(10) . ?
C18 Cl12 1.727(7) . ?
C19 C20 1.400(10) . ?
C19 Cl13 1.734(7) . ?
C20 C21 1.400(10) . ?
C20 Cl14 1.742(7) . ?
C21 Cl15 1.744(7) . ?
C22 O7 1.227(10) . ?
C22 N1 1.280(10) . ?
C22 H22 0.9500 . ?
C23 N1 1.448(10) . ?
C23 H23A 0.9800 . ?
C23 H23B 0.9800 . ?
C23 H23C 0.9800 . ?
C24 N1 1.474(10) . ?
C24 H24A 0.9800 . ?
C24 H24B 0.9800 . ?
C24 H24C 0.9800 . ?
Yb1 O7 2.273(5) . ?
Yb1 O8 2.281(6) . ?
Yb1 O5 2.295(5) . ?
Yb1 O2 2.299(5) . ?
Yb1 O3 2.326(5) . ?
Yb1 O6 2.327(5) . ?
Yb1 O4 2.337(5) . ?
Yb1 O1 2.357(5) . ?
Yb1 C25' 3.098(14) . ?
N2 C25 1.332(15) . ?
N2 C26' 1.348(16) . ?
N2 C26 1.351(16) . ?
N2 C25' 1.377(16) . ?
N2 C27' 1.488(17) . ?
N2 C27 1.535(19) . ?
O8 C25' 1.286(14) . ?
O8 C25 1.316(17) . ?
C25 H25 0.9500 . ?
C26 H26A 0.9800 . ?
C26 H26B 0.9800 . ?
C26 H26C 0.9800 . ?
C27 H27A 0.9800 . ?
C27 H27B 0.9800 . ?
C27 H27C 0.9800 . ?
C25' H25' 0.9500 . ?
C26' H26D 0.9800 . ?
C26' H26E 0.9800 . ?
C26' H26F 0.9800 . ?
C27' H27D 0.9800 . ?
C27' H27E 0.9800 . ?
C27' H27F 0.9800 . ?
N3 C29 1.42(3) 3_656 ?
N3 C29 1.42(3) . ?
N3 C30 1.46(3) 3_656 ?
N3 C30 1.46(3) . ?
N3 C28 1.48(2) 3_656 ?
N3 C28 1.48(2) . ?
C28 C29 1.30(4) 3_656 ?
O9 C29 1.25(4) . ?
C29 C28 1.30(4) 3_656 ?
C29 C30 1.67(5) . ?
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
_geom_angle_publ_flag
O1 C1 C7 119.8(6) . . ?
O1 C1 C2 114.6(6) . . ?
C7 C1 C2 125.3(6) . . ?
O1 C1 Yb1 38.5(3) . . ?
C7 C1 Yb1 156.3(5) . . ?
C2 C1 Yb1 76.4(4) . . ?
O2 C2 C3 120.3(7) . . ?
O2 C2 C1 113.2(6) . . ?
C3 C2 C1 126.5(7) . . ?
O2 C2 Yb1 36.2(3) . . ?
C3 C2 Yb1 156.4(5) . . ?
C1 C2 Yb1 77.1(4) . . ?
C4 C3 C2 130.0(7) . . ?
C4 C3 Cl1 117.9(5) . . ?
C2 C3 Cl1 111.9(5) . . ?
C5 C4 C3 128.9(7) . . ?
C5 C4 Cl2 116.4(6) . . ?
C3 C4 Cl2 114.7(6) . . ?
C4 C5 C6 127.5(7) . . ?
C4 C5 Cl3 116.0(5) . . ?
C6 C5 Cl3 116.5(5) . . ?
C7 C6 C5 128.5(7) . . ?
C7 C6 Cl4 116.1(6) . . ?
C5 C6 Cl4 115.4(5) . . ?
C6 C7 C1 130.2(7) . . ?
C6 C7 Cl5 117.7(6) . . ?
C1 C7 Cl5 112.1(5) . . ?
O3 C8 C14 120.7(7) . . ?
O3 C8 C9 113.5(7) . . ?
C14 C8 C9 125.7(6) . . ?
O3 C8 Yb1 41.7(3) . . ?
C14 C8 Yb1 148.8(5) . . ?
C9 C8 Yb1 77.2(4) . . ?
O4 C9 C10 120.0(8) . . ?
O4 C9 C8 114.5(6) . . ?
C10 C9 C8 125.0(7) . . ?
O4 C9 Yb1 40.9(3) . . ?
C10 C9 Yb1 159.2(6) . . ?
C8 C9 Yb1 75.5(4) . . ?
C11 C10 C9 128.9(8) . . ?
C11 C10 Cl6 118.2(6) . . ?
C9 C10 Cl6 112.8(6) . . ?
C12 C11 C10 128.9(7) . . ?
C12 C11 Cl7 116.1(6) . . ?
C10 C11 Cl7 115.0(7) . . ?
C13 C12 C11 127.3(7) . . ?
C13 C12 Cl8 116.8(7) . . ?
C11 C12 Cl8 115.8(6) . . ?
C12 C13 C14 128.7(8) . . ?
C12 C13 Cl9 116.0(6) . . ?
C14 C13 Cl9 115.3(7) . . ?
C13 C14 C8 129.5(8) . . ?
C13 C14 Cl10 117.0(6) . . ?
C8 C14 Cl10 113.2(6) . . ?
O5 C15 C21 120.2(6) . . ?
O5 C15 C16 114.1(6) . . ?
C21 C15 C16 125.7(6) . . ?
O5 C15 Yb1 37.5(3) . . ?
C21 C15 Yb1 157.6(5) . . ?
C16 C15 Yb1 76.6(4) . . ?
O6 C16 C17 118.3(6) . . ?
O6 C16 C15 115.3(6) . . ?
C17 C16 C15 126.4(6) . . ?
O6 C16 Yb1 38.9(3) . . ?
C17 C16 Yb1 157.1(5) . . ?
C15 C16 Yb1 76.4(4) . . ?
C18 C17 C16 130.8(6) . . ?
C18 C17 Cl11 117.8(5) . . ?
C16 C17 Cl11 111.3(5) . . ?
C17 C18 C19 128.8(6) . . ?
C17 C18 Cl12 115.6(6) . . ?
C19 C18 Cl12 115.5(5) . . ?
C20 C19 C18 127.6(6) . . ?
C20 C19 Cl13 116.2(5) . . ?
C18 C19 Cl13 116.2(5) . . ?
C19 C20 C21 129.7(7) . . ?
C19 C20 Cl14 116.0(5) . . ?
C21 C20 Cl14 114.4(5) . . ?
C20 C21 C15 130.7(6) . . ?
C20 C21 Cl15 117.5(5) . . ?
C15 C21 Cl15 111.8(5) . . ?
O7 C22 N1 126.8(8) . . ?
O7 C22 H22 116.6 . . ?
N1 C22 H22 116.6 . . ?
N1 C23 H23A 109.5 . . ?
N1 C23 H23B 109.5 . . ?
H23A C23 H23B 109.5 . . ?
N1 C23 H23C 109.5 . . ?
H23A C23 H23C 109.5 . . ?
H23B C23 H23C 109.5 . . ?
N1 C24 H24A 109.5 . . ?
N1 C24 H24B 109.5 . . ?
H24A C24 H24B 109.5 . . ?
N1 C24 H24C 109.5 . . ?
H24A C24 H24C 109.5 . . ?
H24B C24 H24C 109.5 . . ?
O7 Yb1 O8 147.93(19) . . ?
O7 Yb1 O5 81.27(19) . . ?
O8 Yb1 O5 81.49(19) . . ?
O7 Yb1 O2 98.2(2) . . ?
O8 Yb1 O2 77.4(2) . . ?
O5 Yb1 O2 138.05(17) . . ?
O7 Yb1 O3 76.88(18) . . ?
O8 Yb1 O3 127.4(2) . . ?
O5 Yb1 O3 83.48(17) . . ?
O2 Yb1 O3 137.64(18) . . ?
O7 Yb1 O6 73.32(18) . . ?
O8 Yb1 O6 75.03(19) . . ?
O5 Yb1 O6 66.34(16) . . ?
O2 Yb1 O6 73.32(17) . . ?
O3 Yb1 O6 140.06(17) . . ?
O7 Yb1 O4 139.25(18) . . ?
O8 Yb1 O4 71.99(19) . . ?
O5 Yb1 O4 106.73(17) . . ?
O2 Yb1 O4 100.6(2) . . ?
O3 Yb1 O4 64.88(19) . . ?
O6 Yb1 O4 146.98(19) . . ?
O7 Yb1 O1 82.12(18) . . ?
O8 Yb1 O1 122.18(18) . . ?
O5 Yb1 O1 153.63(17) . . ?
O2 Yb1 O1 64.80(17) . . ?
O3 Yb1 O1 72.88(17) . . ?
O6 Yb1 O1 127.22(17) . . ?
O4 Yb1 O1 73.91(17) . . ?
O7 Yb1 C25' 135.9(3) . . ?
O8 Yb1 C25' 21.5(3) . . ?
O5 Yb1 C25' 94.7(3) . . ?
O2 Yb1 C25' 56.9(3) . . ?
O3 Yb1 C25' 146.7(3) . . ?
O6 Yb1 C25' 65.1(3) . . ?
O4 Yb1 C25' 84.2(3) . . ?
O1 Yb1 C25' 111.5(3) . . ?
O7 Yb1 C8 92.28(19) . . ?
O8 Yb1 C8 117.3(2) . . ?
O5 Yb1 C8 100.27(17) . . ?
O2 Yb1 C8 121.60(17) . . ?
O3 Yb1 C8 21.25(18) . . ?
O6 Yb1 C8 161.28(18) . . ?
O4 Yb1 C8 47.2(2) . . ?
O1 Yb1 C8 60.10(17) . . ?
C25' Yb1 C8 131.3(3) . . ?
O7 Yb1 C9 118.7(2) . . ?
O8 Yb1 C9 92.5(2) . . ?
O5 Yb1 C9 109.08(17) . . ?
O2 Yb1 C9 107.71(18) . . ?
O3 Yb1 C9 46.77(19) . . ?
O6 Yb1 C9 167.1(2) . . ?
O4 Yb1 C9 20.62(19) . . ?
O1 Yb1 C9 62.32(17) . . ?
C25' Yb1 C9 104.3(3) . . ?
C8 Yb1 C9 27.2(2) . . ?
O7 Yb1 C15 76.63(18) . . ?
O8 Yb1 C15 78.06(18) . . ?
O5 Yb1 C15 19.61(16) . . ?
O2 Yb1 C15 119.16(17) . . ?
O3 Yb1 C15 100.84(17) . . ?
O6 Yb1 C15 46.73(16) . . ?
O4 Yb1 C15 122.62(17) . . ?
O1 Yb1 C15 158.72(17) . . ?
C25' Yb1 C15 85.1(3) . . ?
C8 Yb1 C15 119.17(17) . . ?
C9 Yb1 C15 128.19(17) . . ?
C22 N1 C23 124.9(7) . . ?
C22 N1 C24 119.0(7) . . ?
C23 N1 C24 115.5(7) . . ?
C25 N2 C26' 61.4(10) . . ?
C25 N2 C26 127.2(11) . . ?
C26' N2 C26 170.5(12) . . ?
C25 N2 C25' 62.8(10) . . ?
C26' N2 C25' 122.4(10) . . ?
C26 N2 C25' 67.0(10) . . ?
C25 N2 C27' 175.1(12) . . ?
C26' N2 C27' 123.4(11) . . ?
C26 N2 C27' 47.9(10) . . ?
C25' N2 C27' 112.7(11) . . ?
C25 N2 C27 114.4(11) . . ?
C26' N2 C27 53.5(10) . . ?
C26 N2 C27 117.2(11) . . ?
C25' N2 C27 173.4(11) . . ?
C27' N2 C27 70.3(10) . . ?
C1 O1 Yb1 122.1(4) . . ?
C2 O2 Yb1 124.9(5) . . ?
C8 O3 Yb1 117.1(4) . . ?
C9 O4 Yb1 118.5(5) . . ?
C15 O5 Yb1 122.8(4) . . ?
C16 O6 Yb1 121.4(4) . . ?
C22 O7 Yb1 134.7(6) . . ?
C25' O8 C25 65.6(10) . . ?
C25' O8 Yb1 117.8(8) . . ?
C25 O8 Yb1 145.1(7) . . ?
O8 C25 N2 116.2(12) . . ?
O8 C25 H25 121.9 . . ?
N2 C25 H25 121.9 . . ?
N2 C26 H26A 109.5 . . ?
N2 C26 H26B 109.5 . . ?
N2 C26 H26C 109.5 . . ?
N2 C27 H27A 109.5 . . ?
N2 C27 H27B 109.5 . . ?
N2 C27 H27C 109.5 . . ?
O8 C25' N2 115.1(11) . . ?
O8 C25' Yb1 40.6(6) . . ?
N2 C25' Yb1 144.0(8) . . ?
O8 C25' H25' 122.5 . . ?
N2 C25' H25' 122.5 . . ?
Yb1 C25' H25' 87.3 . . ?
N2 C26' H26D 109.5 . . ?
N2 C26' H26E 109.5 . . ?
H26D C26' H26E 109.5 . . ?
N2 C26' H26F 109.5 . . ?
H26D C26' H26F 109.5 . . ?
H26E C26' H26F 109.5 . . ?
N2 C27' H27D 109.5 . . ?
N2 C27' H27E 109.5 . . ?
H27D C27' H27E 109.5 . . ?
N2 C27' H27F 109.5 . . ?
H27D C27' H27F 109.5 . . ?
H27E C27' H27F 109.5 . . ?
C29 N3 C29 180.0(16) 3_656 . ?
C29 N3 C30 70.7(19) 3_656 3_656 ?
C29 N3 C30 109.3(19) . 3_656 ?
C29 N3 C30 109.3(19) 3_656 . ?
C29 N3 C30 70.7(19) . . ?
C30 N3 C30 180.0(19) 3_656 . ?
C29 N3 C28 126.9(18) 3_656 3_656 ?
C29 N3 C28 53.1(18) . 3_656 ?
C30 N3 C28 56.3(15) 3_656 3_656 ?
C30 N3 C28 123.7(15) . 3_656 ?
C29 N3 C28 53.1(18) 3_656 . ?
C29 N3 C28 126.9(18) . . ?
C30 N3 C28 123.7(15) 3_656 . ?
C30 N3 C28 56.3(15) . . ?
C28 N3 C28 180(2) 3_656 . ?
C29 C28 N3 61.1(19) 3_656 . ?
O9 C29 C28 169(4) . 3_656 ?
O9 C29 N3 104(3) . . ?
C28 C29 N3 65.8(15) 3_656 . ?
O9 C29 C30 48(2) . . ?
C28 C29 C30 122(2) 3_656 . ?
N3 C29 C30 55.9(16) . . ?
N3 C30 C29 53.3(14) . . ?
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_2
_geom_torsion_site_symmetry_3
_geom_torsion_site_symmetry_4
_geom_torsion_publ_flag
O1 C1 C2 O2 -7.4(9) . . . . ?
C7 C1 C2 O2 166.7(7) . . . . ?
Yb1 C1 C2 O2 -2.6(5) . . . . ?
O1 C1 C2 C3 174.0(7) . . . . ?
C7 C1 C2 C3 -11.9(12) . . . . ?
Yb1 C1 C2 C3 178.8(8) . . . . ?
O1 C1 C2 Yb1 -4.7(5) . . . . ?
C7 C1 C2 Yb1 169.4(7) . . . . ?
O2 C2 C3 C4 174.6(8) . . . . ?
C1 C2 C3 C4 -6.9(14) . . . . ?
Yb1 C2 C3 C4 170.1(9) . . . . ?
O2 C2 C3 Cl1 -1.2(10) . . . . ?
C1 C2 C3 Cl1 177.3(6) . . . . ?
Yb1 C2 C3 Cl1 -5.7(16) . . . . ?
C2 C3 C4 C5 11.0(15) . . . . ?
Cl1 C3 C4 C5 -173.4(7) . . . . ?
C2 C3 C4 Cl2 -169.5(7) . . . . ?
Cl1 C3 C4 Cl2 6.1(9) . . . . ?
C3 C4 C5 C6 3.7(13) . . . . ?
Cl2 C4 C5 C6 -175.8(6) . . . . ?
C3 C4 C5 Cl3 -179.4(7) . . . . ?
Cl2 C4 C5 Cl3 1.1(8) . . . . ?
C4 C5 C6 C7 -10.8(12) . . . . ?
Cl3 C5 C6 C7 172.3(6) . . . . ?
C4 C5 C6 Cl4 170.3(6) . . . . ?
Cl3 C5 C6 Cl4 -6.6(7) . . . . ?
C5 C6 C7 C1 -3.8(13) . . . . ?
Cl4 C6 C7 C1 175.1(6) . . . . ?
C5 C6 C7 Cl5 179.1(6) . . . . ?
Cl4 C6 C7 Cl5 -2.0(8) . . . . ?
O1 C1 C7 C6 -167.3(7) . . . . ?
C2 C1 C7 C6 18.9(12) . . . . ?
Yb1 C1 C7 C6 172.4(8) . . . . ?
O1 C1 C7 Cl5 9.9(9) . . . . ?
C2 C1 C7 Cl5 -163.9(6) . . . . ?
Yb1 C1 C7 Cl5 -10.3(15) . . . . ?
O3 C8 C9 O4 8.1(9) . . . . ?
C14 C8 C9 O4 -169.6(7) . . . . ?
Yb1 C8 C9 O4 -13.0(5) . . . . ?
O3 C8 C9 C10 -163.0(6) . . . . ?
C14 C8 C9 C10 19.3(11) . . . . ?
Yb1 C8 C9 C10 175.9(7) . . . . ?
O3 C8 C9 Yb1 21.0(5) . . . . ?
C14 C8 C9 Yb1 -156.6(7) . . . . ?
O4 C9 C10 C11 166.0(7) . . . . ?
C8 C9 C10 C11 -23.4(12) . . . . ?
Yb1 C9 C10 C11 145.4(11) . . . . ?
O4 C9 C10 Cl6 -11.4(9) . . . . ?
C8 C9 C10 Cl6 159.3(6) . . . . ?
Yb1 C9 C10 Cl6 -31.9(16) . . . . ?
C9 C10 C11 C12 -0.4(13) . . . . ?
Cl6 C10 C11 C12 176.8(6) . . . . ?
C9 C10 C11 Cl7 -177.9(6) . . . . ?
Cl6 C10 C11 Cl7 -0.7(8) . . . . ?
C10 C11 C12 C13 16.5(13) . . . . ?
Cl7 C11 C12 C13 -166.1(6) . . . . ?
C10 C11 C12 Cl8 -163.7(7) . . . . ?
Cl7 C11 C12 Cl8 13.7(8) . . . . ?
C11 C12 C13 C14 -1.8(12) . . . . ?
Cl8 C12 C13 C14 178.4(6) . . . . ?
C11 C12 C13 Cl9 176.9(6) . . . . ?
Cl8 C12 C13 Cl9 -2.9(8) . . . . ?
C12 C13 C14 C8 -16.8(13) . . . . ?
Cl9 C13 C14 C8 164.4(6) . . . . ?
C12 C13 C14 Cl10 169.5(6) . . . . ?
Cl9 C13 C14 Cl10 -9.3(8) . . . . ?
O3 C8 C14 C13 -171.1(7) . . . . ?
C9 C8 C14 C13 6.4(12) . . . . ?
Yb1 C8 C14 C13 -125.2(9) . . . . ?
O3 C8 C14 Cl10 2.8(9) . . . . ?
C9 C8 C14 Cl10 -179.7(5) . . . . ?
Yb1 C8 C14 Cl10 48.7(11) . . . . ?
O5 C15 C16 O6 -1.2(9) . . . . ?
C21 C15 C16 O6 177.5(6) . . . . ?
Yb1 C15 C16 O6 -0.3(5) . . . . ?
O5 C15 C16 C17 177.3(6) . . . . ?
C21 C15 C16 C17 -4.1(11) . . . . ?
Yb1 C15 C16 C17 178.2(7) . . . . ?
O5 C15 C16 Yb1 -0.9(5) . . . . ?
C21 C15 C16 Yb1 177.7(7) . . . . ?
O6 C16 C17 C18 179.3(7) . . . . ?
C15 C16 C17 C18 0.9(12) . . . . ?
Yb1 C16 C17 C18 176.4(8) . . . . ?
O6 C16 C17 Cl11 -0.3(8) . . . . ?
C15 C16 C17 Cl11 -178.8(5) . . . . ?
Yb1 C16 C17 Cl11 -3.3(14) . . . . ?
C16 C17 C18 C19 4.5(13) . . . . ?
Cl11 C17 C18 C19 -175.8(6) . . . . ?
C16 C17 C18 Cl12 -176.7(6) . . . . ?
Cl11 C17 C18 Cl12 3.0(7) . . . . ?
C17 C18 C19 C20 -4.2(12) . . . . ?
Cl12 C18 C19 C20 177.0(6) . . . . ?
C17 C18 C19 Cl13 175.0(6) . . . . ?
Cl12 C18 C19 Cl13 -3.8(7) . . . . ?
C18 C19 C20 C21 -1.0(13) . . . . ?
Cl13 C19 C20 C21 179.8(6) . . . . ?
C18 C19 C20 Cl14 -179.0(6) . . . . ?
Cl13 C19 C20 Cl14 1.7(8) . . . . ?
C19 C20 C21 C15 3.0(13) . . . . ?
Cl14 C20 C21 C15 -179.0(6) . . . . ?
C19 C20 C21 Cl15 -176.5(6) . . . . ?
Cl14 C20 C21 Cl15 1.6(8) . . . . ?
O5 C15 C21 C20 179.6(7) . . . . ?
C16 C15 C21 C20 1.0(12) . . . . ?
Yb1 C15 C21 C20 175.2(8) . . . . ?
O5 C15 C21 Cl15 -0.9(9) . . . . ?
C16 C15 C21 Cl15 -179.5(5) . . . . ?
Yb1 C15 C21 Cl15 -5.3(15) . . . . ?
O3 C8 Yb1 O7 43.2(5) . . . . ?
C14 C8 Yb1 O7 -25.0(10) . . . . ?
C9 C8 Yb1 O7 -166.5(4) . . . . ?
O3 C8 Yb1 O8 -124.0(5) . . . . ?
C14 C8 Yb1 O8 167.8(9) . . . . ?
C9 C8 Yb1 O8 26.3(4) . . . . ?
O3 C8 Yb1 O5 -38.3(6) . . . . ?
C14 C8 Yb1 O5 -106.5(10) . . . . ?
C9 C8 Yb1 O5 112.0(4) . . . . ?
O3 C8 Yb1 O2 144.3(5) . . . . ?
C14 C8 Yb1 O2 76.1(10) . . . . ?
C9 C8 Yb1 O2 -65.4(4) . . . . ?
C14 C8 Yb1 O3 -68.2(10) . . . . ?
C9 C8 Yb1 O3 150.3(7) . . . . ?
O3 C8 Yb1 O6 4.3(9) . . . . ?
C14 C8 Yb1 O6 -63.9(12) . . . . ?
C9 C8 Yb1 O6 154.6(5) . . . . ?
O3 C8 Yb1 O4 -141.7(6) . . . . ?
C14 C8 Yb1 O4 150.1(11) . . . . ?
C9 C8 Yb1 O4 8.6(3) . . . . ?
O3 C8 Yb1 O1 122.8(6) . . . . ?
C14 C8 Yb1 O1 54.6(9) . . . . ?
C9 C8 Yb1 O1 -86.9(4) . . . . ?
O3 C8 Yb1 C25' -144.0(6) . . . . ?
C14 C8 Yb1 C25' 147.8(10) . . . . ?
C9 C8 Yb1 C25' 6.3(6) . . . . ?
O3 C8 Yb1 C9 -150.3(7) . . . . ?
C14 C8 Yb1 C9 141.5(11) . . . . ?
O3 C8 Yb1 C15 -32.7(6) . . . . ?
C14 C8 Yb1 C15 -100.9(10) . . . . ?
C9 C8 Yb1 C15 117.6(4) . . . . ?
O4 C9 Yb1 O7 177.2(5) . . . . ?
C10 C9 Yb1 O7 -155.1(13) . . . . ?
C8 C9 Yb1 O7 15.4(4) . . . . ?
O4 C9 Yb1 O8 5.0(5) . . . . ?
C10 C9 Yb1 O8 32.7(14) . . . . ?
C8 C9 Yb1 O8 -156.8(4) . . . . ?
O4 C9 Yb1 O5 86.9(5) . . . . ?
C10 C9 Yb1 O5 114.6(13) . . . . ?
C8 C9 Yb1 O5 -74.9(4) . . . . ?
O4 C9 Yb1 O2 -72.6(5) . . . . ?
C10 C9 Yb1 O2 -44.9(14) . . . . ?
C8 C9 Yb1 O2 125.6(4) . . . . ?
O4 C9 Yb1 O3 147.5(6) . . . . ?
C10 C9 Yb1 O3 175.2(14) . . . . ?
C8 C9 Yb1 O3 -14.3(4) . . . . ?
O4 C9 Yb1 O6 20.0(11) . . . . ?
C10 C9 Yb1 O6 47.7(18) . . . . ?
C8 C9 Yb1 O6 -141.8(7) . . . . ?
C10 C9 Yb1 O4 27.7(12) . . . . ?
C8 C9 Yb1 O4 -161.8(7) . . . . ?
O4 C9 Yb1 O1 -120.4(6) . . . . ?
C10 C9 Yb1 O1 -92.7(13) . . . . ?
C8 C9 Yb1 O1 77.8(4) . . . . ?
O4 C9 Yb1 C25' -13.3(6) . . . . ?
C10 C9 Yb1 C25' 14.4(14) . . . . ?
C8 C9 Yb1 C25' -175.1(4) . . . . ?
O4 C9 Yb1 C8 161.8(7) . . . . ?
C10 C9 Yb1 C8 -170.5(16) . . . . ?
O4 C9 Yb1 C15 81.8(6) . . . . ?
C10 C9 Yb1 C15 109.5(13) . . . . ?
C8 C9 Yb1 C15 -80.0(4) . . . . ?
O5 C15 Yb1 O7 -101.7(5) . . . . ?
C21 C15 Yb1 O7 -95.4(12) . . . . ?
C16 C15 Yb1 O7 79.7(4) . . . . ?
O5 C15 Yb1 O8 98.2(5) . . . . ?
C21 C15 Yb1 O8 104.5(13) . . . . ?
C16 C15 Yb1 O8 -80.4(4) . . . . ?
C21 C15 Yb1 O5 6.2(10) . . . . ?
C16 C15 Yb1 O5 -178.6(7) . . . . ?
O5 C15 Yb1 O2 166.3(5) . . . . ?
C21 C15 Yb1 O2 172.6(12) . . . . ?
C16 C15 Yb1 O2 -12.3(4) . . . . ?
O5 C15 Yb1 O3 -28.1(6) . . . . ?
C21 C15 Yb1 O3 -21.9(13) . . . . ?
C16 C15 Yb1 O3 153.3(4) . . . . ?
O5 C15 Yb1 O6 178.8(6) . . . . ?
C21 C15 Yb1 O6 -175.0(13) . . . . ?
C16 C15 Yb1 O6 0.2(3) . . . . ?
O5 C15 Yb1 O4 38.9(6) . . . . ?
C21 C15 Yb1 O4 45.1(13) . . . . ?
C16 C15 Yb1 O4 -139.7(4) . . . . ?
O5 C15 Yb1 O1 -98.6(6) . . . . ?
C21 C15 Yb1 O1 -92.3(13) . . . . ?
C16 C15 Yb1 O1 82.8(6) . . . . ?
O5 C15 Yb1 C25' 118.8(6) . . . . ?
C21 C15 Yb1 C25' 125.0(13) . . . . ?
C16 C15 Yb1 C25' -59.8(4) . . . . ?
O5 C15 Yb1 C8 -16.6(6) . . . . ?
C21 C15 Yb1 C8 -10.3(13) . . . . ?
C16 C15 Yb1 C8 164.8(4) . . . . ?
O5 C15 Yb1 C9 14.5(6) . . . . ?
C21 C15 Yb1 C9 20.7(13) . . . . ?
C16 C15 Yb1 C9 -164.2(4) . . . . ?
O7 C22 N1 C23 -171.2(9) . . . . ?
O7 C22 N1 C24 0.3(14) . . . . ?
C7 C1 O1 Yb1 -167.1(5) . . . . ?
C2 C1 O1 Yb1 7.4(8) . . . . ?
O7 Yb1 O1 C1 -106.9(5) . . . . ?
O8 Yb1 O1 C1 50.5(6) . . . . ?
O5 Yb1 O1 C1 -158.3(5) . . . . ?
O2 Yb1 O1 C1 -4.0(5) . . . . ?
O3 Yb1 O1 C1 174.4(5) . . . . ?
O6 Yb1 O1 C1 -44.9(6) . . . . ?
O4 Yb1 O1 C1 106.4(5) . . . . ?
C25' Yb1 O1 C1 29.5(6) . . . . ?
C8 Yb1 O1 C1 155.9(6) . . . . ?
C9 Yb1 O1 C1 124.8(6) . . . . ?
C15 Yb1 O1 C1 -110.0(6) . . . . ?
C3 C2 O2 Yb1 -177.0(5) . . . . ?
C1 C2 O2 Yb1 4.3(9) . . . . ?
O7 Yb1 O2 C2 76.5(6) . . . . ?
O8 Yb1 O2 C2 -135.8(6) . . . . ?
O5 Yb1 O2 C2 162.6(5) . . . . ?
O3 Yb1 O2 C2 -2.9(8) . . . . ?
O6 Yb1 O2 C2 146.3(7) . . . . ?
O4 Yb1 O2 C2 -67.1(6) . . . . ?
O1 Yb1 O2 C2 -0.7(6) . . . . ?
C25' Yb1 O2 C2 -142.9(7) . . . . ?
C8 Yb1 O2 C2 -21.3(7) . . . . ?
C9 Yb1 O2 C2 -47.1(7) . . . . ?
C15 Yb1 O2 C2 155.7(6) . . . . ?
C14 C8 O3 Yb1 146.0(5) . . . . ?
C9 C8 O3 Yb1 -31.8(7) . . . . ?
O7 Yb1 O3 C8 -135.4(6) . . . . ?
O8 Yb1 O3 C8 68.1(6) . . . . ?
O5 Yb1 O3 C8 142.1(6) . . . . ?
O2 Yb1 O3 C8 -47.6(7) . . . . ?
O6 Yb1 O3 C8 -177.9(5) . . . . ?
O4 Yb1 O3 C8 30.2(5) . . . . ?
O1 Yb1 O3 C8 -49.7(5) . . . . ?
C25' Yb1 O3 C8 53.5(8) . . . . ?
C9 Yb1 O3 C8 18.1(5) . . . . ?
C15 Yb1 O3 C8 151.3(5) . . . . ?
C10 C9 O4 Yb1 -169.0(5) . . . . ?
C8 C9 O4 Yb1 19.4(8) . . . . ?
O7 Yb1 O4 C9 -3.7(7) . . . . ?
O8 Yb1 O4 C9 -174.7(6) . . . . ?
O5 Yb1 O4 C9 -99.8(5) . . . . ?
O2 Yb1 O4 C9 112.3(5) . . . . ?
O3 Yb1 O4 C9 -25.6(5) . . . . ?
O6 Yb1 O4 C9 -172.0(4) . . . . ?
O1 Yb1 O4 C9 52.7(5) . . . . ?
C25' Yb1 O4 C9 167.0(6) . . . . ?
C8 Yb1 O4 C9 -11.2(5) . . . . ?
C15 Yb1 O4 C9 -112.5(5) . . . . ?
C21 C15 O5 Yb1 -177.3(5) . . . . ?
C16 C15 O5 Yb1 1.5(8) . . . . ?
O7 Yb1 O5 C15 74.6(5) . . . . ?
O8 Yb1 O5 C15 -78.3(5) . . . . ?
O2 Yb1 O5 C15 -18.0(7) . . . . ?
O3 Yb1 O5 C15 152.2(5) . . . . ?
O6 Yb1 O5 C15 -1.0(5) . . . . ?
O4 Yb1 O5 C15 -146.5(5) . . . . ?
O1 Yb1 O5 C15 126.1(5) . . . . ?
C25' Yb1 O5 C15 -61.2(6) . . . . ?
C8 Yb1 O5 C15 165.3(5) . . . . ?
C9 Yb1 O5 C15 -168.0(5) . . . . ?
C17 C16 O6 Yb1 -178.2(4) . . . . ?
C15 C16 O6 Yb1 0.4(8) . . . . ?
O7 Yb1 O6 C16 -87.4(5) . . . . ?
O8 Yb1 O6 C16 87.3(5) . . . . ?
O5 Yb1 O6 C16 0.2(5) . . . . ?
O2 Yb1 O6 C16 168.4(6) . . . . ?
O3 Yb1 O6 C16 -44.0(7) . . . . ?
O4 Yb1 O6 C16 84.6(6) . . . . ?
O1 Yb1 O6 C16 -153.4(5) . . . . ?
C25' Yb1 O6 C16 107.7(6) . . . . ?
C8 Yb1 O6 C16 -46.4(9) . . . . ?
C9 Yb1 O6 C16 71.8(10) . . . . ?
C15 Yb1 O6 C16 -0.2(5) . . . . ?
N1 C22 O7 Yb1 -135.5(8) . . . . ?
O8 Yb1 O7 C22 130.6(7) . . . . ?
O5 Yb1 O7 C22 72.4(8) . . . . ?
O2 Yb1 O7 C22 -150.0(7) . . . . ?
O3 Yb1 O7 C22 -12.9(7) . . . . ?
O6 Yb1 O7 C22 140.2(8) . . . . ?
O4 Yb1 O7 C22 -33.1(9) . . . . ?
O1 Yb1 O7 C22 -87.0(8) . . . . ?
C25' Yb1 O7 C22 160.1(8) . . . . ?
C8 Yb1 O7 C22 -27.6(8) . . . . ?
C9 Yb1 O7 C22 -34.6(8) . . . . ?
C15 Yb1 O7 C22 91.8(8) . . . . ?
O7 Yb1 O8 C25' 68.9(9) . . . . ?
O5 Yb1 O8 C25' 127.1(8) . . . . ?
O2 Yb1 O8 C25' -16.4(8) . . . . ?
O3 Yb1 O8 C25' -157.9(8) . . . . ?
O6 Yb1 O8 C25' 59.4(8) . . . . ?
O4 Yb1 O8 C25' -122.1(8) . . . . ?
O1 Yb1 O8 C25' -65.4(8) . . . . ?
C8 Yb1 O8 C25' -135.7(8) . . . . ?
C9 Yb1 O8 C25' -124.0(8) . . . . ?
C15 Yb1 O8 C25' 107.5(8) . . . . ?
O7 Yb1 O8 C25 155.6(13) . . . . ?
O5 Yb1 O8 C25 -146.2(14) . . . . ?
O2 Yb1 O8 C25 70.3(13) . . . . ?
O3 Yb1 O8 C25 -71.3(14) . . . . ?
O6 Yb1 O8 C25 146.1(14) . . . . ?
O4 Yb1 O8 C25 -35.5(13) . . . . ?
O1 Yb1 O8 C25 21.2(14) . . . . ?
C25' Yb1 O8 C25 86.7(15) . . . . ?
C8 Yb1 O8 C25 -49.0(14) . . . . ?
C9 Yb1 O8 C25 -37.3(14) . . . . ?
C15 Yb1 O8 C25 -165.9(14) . . . . ?
C25' O8 C25 N2 -4.8(11) . . . . ?
Yb1 O8 C25 N2 -109.1(13) . . . . ?
C26' N2 C25 O8 170.1(17) . . . . ?
C26 N2 C25 O8 -15(2) . . . . ?
C25' N2 C25 O8 4.6(10) . . . . ?
C27' N2 C25 O8 -18(15) . . . . ?
C27 N2 C25 O8 178.0(12) . . . . ?
C25 O8 C25' N2 4.6(10) . . . . ?
Yb1 O8 C25' N2 145.8(8) . . . . ?
C25 O8 C25' Yb1 -141.2(9) . . . . ?
C25 N2 C25' O8 -4.7(10) . . . . ?
C26' N2 C25' O8 -19.8(17) . . . . ?
C26 N2 C25' O8 158.7(15) . . . . ?
C27' N2 C25' O8 173.3(12) . . . . ?
C27 N2 C25' O8 -71(10) . . . . ?
C25 N2 C25' Yb1 33.9(13) . . . . ?
C26' N2 C25' Yb1 19(2) . . . . ?
C26 N2 C25' Yb1 -162.7(17) . . . . ?
C27' N2 C25' Yb1 -148.1(14) . . . . ?
C27 N2 C25' Yb1 -32(10) . . . . ?
O7 Yb1 C25' O8 -134.6(7) . . . . ?
O5 Yb1 C25' O8 -52.3(8) . . . . ?
O2 Yb1 C25' O8 160.8(9) . . . . ?
O3 Yb1 C25' O8 32.9(11) . . . . ?
O6 Yb1 C25' O8 -113.5(8) . . . . ?
O4 Yb1 C25' O8 54.0(8) . . . . ?
O1 Yb1 C25' O8 124.2(7) . . . . ?
C8 Yb1 C25' O8 55.7(9) . . . . ?
C9 Yb1 C25' O8 58.7(8) . . . . ?
C15 Yb1 C25' O8 -69.5(8) . . . . ?
O7 Yb1 C25' N2 165.2(12) . . . . ?
O8 Yb1 C25' N2 -60.2(14) . . . . ?
O5 Yb1 C25' N2 -112.5(14) . . . . ?
O2 Yb1 C25' N2 100.6(15) . . . . ?
O3 Yb1 C25' N2 -27.3(18) . . . . ?
O6 Yb1 C25' N2 -173.7(16) . . . . ?
O4 Yb1 C25' N2 -6.1(14) . . . . ?
O1 Yb1 C25' N2 64.0(15) . . . . ?
C8 Yb1 C25' N2 -4.4(17) . . . . ?
C9 Yb1 C25' N2 -1.4(15) . . . . ?
C15 Yb1 C25' N2 -129.7(15) . . . . ?
C29 N3 C28 C29 180.000(18) . . . 3_656 ?
C30 N3 C28 C29 -5(2) 3_656 . . 3_656 ?
C30 N3 C28 C29 175(2) . . . 3_656 ?
C28 N3 C28 C29 139(22) 3_656 . . 3_656 ?
C29 N3 C29 O9 102(100) 3_656 . . . ?
C30 N3 C29 O9 -173.1(19) 3_656 . . . ?
C30 N3 C29 O9 6.9(19) . . . . ?
C28 N3 C29 O9 -177(3) 3_656 . . . ?
C28 N3 C29 O9 3(3) . . . . ?
C29 N3 C29 C28 -81(100) 3_656 . . 3_656 ?
C30 N3 C29 C28 4(2) 3_656 . . 3_656 ?
C30 N3 C29 C28 -176(2) . . . 3_656 ?
C28 N3 C29 C28 180.000(15) . . . 3_656 ?
C29 N3 C29 C30 95(100) 3_656 . . . ?
C30 N3 C29 C30 180.000(14) 3_656 . . . ?
C28 N3 C29 C30 175.8(19) 3_656 . . . ?
C28 N3 C29 C30 -4.2(19) . . . . ?
C29 N3 C30 C29 180.000(14) 3_656 . . . ?
C30 N3 C30 C29 -102(100) 3_656 . . . ?
C28 N3 C30 C29 -4.1(18) 3_656 . . . ?
C28 N3 C30 C29 175.9(18) . . . . ?
O9 C29 C30 N3 -171(2) . . . . ?
C28 C29 C30 N3 5(2) 3_656 . . . ?
_diffrn_measured_fraction_theta_max 0.990
_diffrn_reflns_theta_full        27.52
_diffrn_measured_fraction_theta_full 0.990
_refine_diff_density_max         4.344
_refine_diff_density_min         -3.414
_refine_diff_density_rms         0.155