#------------------------------------------------------------------------------
#$Date: 2016-03-25 11:30:08 +0200 (Fri, 25 Mar 2016) $
#$Revision: 179793 $
#$URL: svn://www.crystallography.net/cod/cif/7/00/89/7008917.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_7008917
loop_
_publ_author_name
'Rohovec, Jan'
'Vojtíšek, Pavel'
'Hermann, Petr'
'Ludvík, Jiří'
'Lukeš, Ivan'
_publ_section_title
;
 Derivative of cyclen with three methylene(phenyl)phosphinic acid
 pendant arms. Synthesis and crystal structures of its lanthanide
 complexes
;
_journal_issue                   2
_journal_name_full
'Journal of the Chemical Society, Dalton Transactions'
_journal_page_first              141
_journal_paper_doi               10.1039/a907018d
_journal_year                    2000
_chemical_formula_moiety         ' [YbL]2*12H2O (!centrosymmetric dimer!) '
_chemical_formula_sum            'C30 H52 N4 O12 P3 Yb'
_chemical_formula_weight         926.71
_chemical_name_systematic
; 
 ? 
;
_space_group_IT_number           14
_symmetry_cell_setting           monoclinic
_symmetry_space_group_name_Hall  '-P 2ybc'
_symmetry_space_group_name_H-M   'P 1 21/c 1'
_atom_sites_solution_hydrogens   geom
_atom_sites_solution_primary     'Patterson + Fourier '
_atom_sites_solution_secondary   difmap
_audit_creation_method           SHELXL-97
_cell_angle_alpha                90.00
_cell_angle_beta                 112.184(9)
_cell_angle_gamma                90.00
_cell_formula_units_Z            4
_cell_length_a                   12.9699(9)
_cell_length_b                   19.961(2)
_cell_length_c                   15.784(2)
_cell_measurement_reflns_used    25
_cell_measurement_temperature    170(2)
_cell_measurement_theta_max      14
_cell_measurement_theta_min      13
_cell_volume                     3783.9(7)
_computing_cell_refinement       'CAD4 program packet '
_computing_data_collection       'CAD4 program packet '
_computing_data_reduction        'JANA-98 (Petricek, 1998) '
_computing_molecular_graphics    'PLATON-92 (Spek, 1992)'
_computing_publication_material  WORD
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 1997)'
_computing_structure_solution    'SHELXS-86 (Sheldrick, 1986)'
_diffrn_ambient_temperature      170(1)
_diffrn_measured_fraction_theta_full 0.967
_diffrn_measured_fraction_theta_max 0.967
_diffrn_measurement_device_type  'CAD4 (Enraf-Nonius) '
_diffrn_measurement_method       '.omega.-2.theta. '
_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  0.0189
_diffrn_reflns_av_sigmaI/netI    0.0208
_diffrn_reflns_limit_h_max       14
_diffrn_reflns_limit_h_min       0
_diffrn_reflns_limit_k_max       21
_diffrn_reflns_limit_k_min       0
_diffrn_reflns_limit_l_max       16
_diffrn_reflns_limit_l_min       -17
_diffrn_reflns_number            5547
_diffrn_reflns_theta_full        22.98
_diffrn_reflns_theta_max         22.98
_diffrn_reflns_theta_min         1.70
_diffrn_standards_decay_%        6.4
_diffrn_standards_interval_time  '60 min'
_diffrn_standards_number         3
_exptl_absorpt_coefficient_mu    2.661
_exptl_absorpt_correction_T_max  --
_exptl_absorpt_correction_T_min  --
_exptl_absorpt_correction_type   'not applied'
_exptl_crystal_colour            colourless
_exptl_crystal_density_diffrn    1.627
_exptl_crystal_density_meas      ?
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       prism
_exptl_crystal_F_000             1884
_exptl_crystal_size_max          0.57
_exptl_crystal_size_mid          0.53
_exptl_crystal_size_min          0.42
_refine_diff_density_max         1.441
_refine_diff_density_min         -0.815
_refine_diff_density_rms         0.088
_refine_ls_extinction_coef       0.00037(6)
_refine_ls_extinction_expression Fc^*^=kFc[1+0.001xFc²λ³/sin(2θ)]^-1/4^
_refine_ls_extinction_method     SHELXL
_refine_ls_goodness_of_fit_ref   1.084
_refine_ls_hydrogen_treatment    mixed
_refine_ls_matrix_type           full
_refine_ls_number_parameters     637
_refine_ls_number_reflns         5243
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      1.084
_refine_ls_R_factor_all          0.0291
_refine_ls_R_factor_gt           0.0247
_refine_ls_shift/su_max          10.947
_refine_ls_shift/su_mean         0.048
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'w=1/[σ²(Fo²)+(0.0318P)²+10.7685P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0641
_refine_ls_wR_factor_ref         0.0667
_reflns_number_gt                4764
_reflns_number_total             5243
_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            a907018d.txt
_cod_data_source_block           yb14e
_cod_depositor_comments
;
The following automatic conversions were performed:

'_exptl_crystal_density_meas' value '--' 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 

The following automatic conversions were performed:

'_refine_ls_weighting_scheme' value 'calc
w=1/[\s^2^(Fo^2^)+(0.0318P)^2^+10.7685P] where P=(Fo^2^+2Fc^2^)/3'
was changed to 'calc'. New tag '_refine_ls_weighting_details' was
created. The value of the new tag was set to
'w=1/[\s^2^(Fo^2^)+(0.0318P)^2^+10.7685P] where P=(Fo^2^+2Fc^2^)/3'.

Automatic conversion script
Id: cif_fix_values 3143 2015-03-26 13:38:13Z robertas 
;
_cod_original_cell_volume        3783.8(7)
_cod_original_sg_symbol_H-M      'P2(1)/c  (no.14)'
_cod_database_code               7008917
loop_
_symmetry_equiv_pos_as_xyz
'x, y, z'
'-x, y+1/2, -z+1/2'
'-x, -y, -z'
'x, -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_calc_flag
_atom_site_refinement_flags
_atom_site_disorder_assembly
_atom_site_disorder_group
Yb Yb 0.669998(13) 0.607742(8) 0.031575(11) 0.01488(9) Uani 1 d . . .
P1 P 0.89753(9) 0.62956(6) 0.22316(7) 0.0220(3) Uani 1 d . . .
P2 P 0.56489(9) 0.74396(5) 0.09620(8) 0.0208(3) Uani 1 d . . .
P3 P 0.40157(8) 0.56211(5) -0.07644(7) 0.0164(2) Uani 1 d . . .
O11 O 0.8095(2) 0.58155(15) 0.16338(19) 0.0224(7) Uani 1 d . . .
O12 O 0.8825(3) 0.66042(17) 0.3041(2) 0.0313(7) Uani 1 d . . .
O21 O 0.6419(2) 0.68395(14) 0.12645(19) 0.0210(6) Uani 1 d . . .
O22 O 0.6116(2) 0.80941(15) 0.1412(2) 0.0265(7) Uani 1 d . . .
O31 O 0.4812(2) 0.60705(13) -0.00427(19) 0.0180(6) Uani 1 d . . .
O32 O 0.3674(2) 0.49904(14) -0.04169(19) 0.0206(6) Uani 1 d . . .
N1 N 0.8495(3) 0.67641(17) 0.0476(2) 0.0182(7) Uani 1 d . . .
N2 N 0.6203(3) 0.72176(17) -0.0507(2) 0.0188(8) Uani 1 d . . .
N3 N 0.5603(3) 0.59075(17) -0.1440(2) 0.0196(8) Uani 1 d . . .
N4 N 0.7901(3) 0.54583(17) -0.0442(2) 0.0201(8) Uani 1 d . . .
C1 C 0.8238(4) 0.7371(2) -0.0113(3) 0.0215(9) Uani 1 d . . .
H011 H 0.814(4) 0.723(2) -0.073(3) 0.025(12) Uiso 1 d . . .
H012 H 0.887(3) 0.769(2) 0.010(3) 0.014(10) Uiso 1 d . . .
C2 C 0.7164(4) 0.7696(2) -0.0166(3) 0.0218(9) Uani 1 d . . .
H021 H 0.703(4) 0.808(2) -0.059(3) 0.028(12) Uiso 1 d . . .
H022 H 0.722(4) 0.785(2) 0.043(3) 0.022(11) Uiso 1 d . . .
C3 C 0.5844(4) 0.7136(2) -0.1510(3) 0.0227(10) Uani 1 d . . .
H031 H 0.552(3) 0.753(2) -0.181(3) 0.010(10) Uiso 1 d . . .
H032 H 0.650(4) 0.709(2) -0.167(3) 0.027(12) Uiso 1 d . . .
C4 C 0.5077(4) 0.6550(2) -0.1870(3) 0.0223(10) Uani 1 d . . .
H041 H 0.491(3) 0.651(2) -0.247(3) 0.012(10) Uiso 1 d . . .
H042 H 0.442(4) 0.659(2) -0.177(3) 0.026(12) Uiso 1 d . . .
C5 C 0.6317(4) 0.5650(3) -0.1915(3) 0.0240(10) Uani 1 d . . .
H051 H 0.588(4) 0.544(2) -0.241(3) 0.020(12) Uiso 1 d . . .
H052 H 0.662(4) 0.600(2) -0.207(3) 0.015(11) Uiso 1 d . . .
C6 C 0.7160(4) 0.5160(2) -0.1321(3) 0.0227(10) Uani 1 d . . .
H061 H 0.682(4) 0.482(2) -0.117(3) 0.020(12) Uiso 1 d . . .
H062 H 0.758(4) 0.500(2) -0.164(3) 0.026(12) Uiso 1 d . . .
C7 C 0.8685(4) 0.5932(2) -0.0607(3) 0.0205(9) Uani 1 d . . .
H071 H 0.829(3) 0.620(2) -0.109(3) 0.007(10) Uiso 1 d . . .
H072 H 0.918(3) 0.568(2) -0.082(3) 0.008(10) Uiso 1 d . . .
C8 C 0.9290(3) 0.6342(2) 0.0235(3) 0.0213(9) Uani 1 d . . .
H081 H 0.981(4) 0.665(2) 0.009(3) 0.018(11) Uiso 1 d . . .
H082 H 0.969(4) 0.604(2) 0.078(3) 0.021 Uiso 1 d . . .
C10 C 0.9020(4) 0.6965(2) 0.1448(3) 0.0223(10) Uani 1 d . . .
H101 H 0.976(4) 0.710(2) 0.157(3) 0.026(12) Uiso 1 d . . .
H102 H 0.859(4) 0.730(2) 0.155(3) 0.022(12) Uiso 1 d . . .
C11 C 1.0302(4) 0.5864(2) 0.2655(3) 0.0260(10) Uani 1 d . . .
C12 C 1.0358(4) 0.5174(3) 0.2591(3) 0.0334(12) Uani 1 d . . .
H12 H 0.972(5) 0.495(3) 0.231(4) 0.042(15) Uiso 1 d . . .
C13 C 1.1361(5) 0.4841(3) 0.2997(4) 0.0407(13) Uani 1 d . . .
H13 H 1.135(4) 0.442(3) 0.296(3) 0.027(14) Uiso 1 d . . .
C14 C 1.2318(4) 0.5193(3) 0.3465(4) 0.0420(14) Uani 1 d . . .
H14 H 1.297(5) 0.499(3) 0.372(4) 0.053(17) Uiso 1 d . . .
C15 C 1.2274(4) 0.5879(3) 0.3524(4) 0.0426(14) Uani 1 d . . .
H15 H 1.286(6) 0.608(3) 0.381(4) 0.06(2) Uiso 1 d . . .
C16 C 1.1284(4) 0.6218(3) 0.3139(3) 0.0345(12) Uani 1 d . . .
H16 H 1.125(4) 0.667(3) 0.315(3) 0.035(15) Uiso 1 d . . .
C20 C 0.5282(4) 0.7503(2) -0.0272(3) 0.0213(9) Uani 1 d . . .
H201 H 0.462(3) 0.7255(19) -0.058(3) 0.006(9) Uiso 1 d . . .
H202 H 0.512(4) 0.794(3) -0.050(3) 0.036(14) Uiso 1 d . . .
C21 C 0.4380(4) 0.7291(2) 0.1148(3) 0.0261(10) Uani 1 d . . .
C22 C 0.3546(4) 0.7777(3) 0.0874(4) 0.0378(13) Uani 1 d . . .
H22 H 0.366(5) 0.816(3) 0.051(4) 0.049(16) Uiso 1 d . . .
C23 C 0.2601(5) 0.7699(4) 0.1084(5) 0.0583(19) Uani 1 d . . .
H23 H 0.205(5) 0.805(3) 0.083(4) 0.056(18) Uiso 1 d . . .
C24 C 0.2493(6) 0.7146(4) 0.1566(5) 0.068(2) Uani 1 d . . .
H24 H 0.186(6) 0.712(4) 0.169(5) 0.08(2) Uiso 1 d . . .
C25 C 0.3308(6) 0.6668(4) 0.1831(5) 0.060(2) Uani 1 d . . .
H25 H 0.323(6) 0.634(4) 0.206(5) 0.06(2) Uiso 1 d . . .
C26 C 0.4248(5) 0.6727(3) 0.1616(4) 0.0370(13) Uani 1 d . . .
H26 H 0.480(4) 0.644(3) 0.180(3) 0.026(14) Uiso 1 d . . .
C30 C 0.4714(3) 0.5408(2) -0.1536(3) 0.0210(9) Uani 1 d . . .
H301 H 0.423(4) 0.537(2) -0.219(3) 0.027(12) Uiso 1 d . . .
H302 H 0.508(3) 0.496(2) -0.128(3) 0.012(10) Uiso 1 d . . .
C31 C 0.2759(3) 0.6082(2) -0.1389(3) 0.0232(10) Uani 1 d . . .
C32 C 0.2104(4) 0.5935(3) -0.2290(3) 0.0323(12) Uani 1 d . . .
H32 H 0.231(4) 0.564(2) -0.264(3) 0.024(13) Uiso 1 d . . .
C33 C 0.1080(4) 0.6250(3) -0.2708(4) 0.0451(15) Uani 1 d . . .
H33 H 0.070(5) 0.615(3) -0.324(4) 0.048(18) Uiso 1 d . . .
C34 C 0.0699(5) 0.6681(3) -0.2215(5) 0.0502(18) Uani 1 d . . .
H34 H 0.006(6) 0.681(3) -0.247(4) 0.056(18) Uiso 1 d . . .
C35 C 0.1337(4) 0.6833(3) -0.1333(5) 0.0439(14) Uani 1 d . . .
H35 H 0.116(5) 0.711(3) -0.102(4) 0.041(17) Uiso 1 d . . .
C36 C 0.2382(4) 0.6543(2) -0.0913(4) 0.0304(11) Uani 1 d . . .
H36 H 0.273(5) 0.662(3) -0.028(4) 0.043(16) Uiso 1 d . . .
C40 C 0.8547(4) 0.4897(2) 0.0120(4) 0.0260(10) Uani 1 d . . .
H401 H 0.904(4) 0.506(2) 0.068(3) 0.017(11) Uiso 1 d . . .
H402 H 0.892(4) 0.466(2) -0.022(3) 0.019(11) Uiso 1 d . . .
H403 H 0.808(4) 0.458(2) 0.022(3) 0.018(11) Uiso 1 d . . .
O99 O 0.6867(9) 0.5857(7) 0.3168(8) 0.174(7) Uani 1 d . . .
H992 H 0.694(16) 0.611(9) 0.297(13) 0.209 Uiso 1 d . . .
H991 H 0.742(13) 0.569(9) 0.364(10) 0.209 Uiso 1 d . . .
O98 O 0.5038(5) 0.9180(3) 0.0395(4) 0.0643(14) Uani 1 d . . .
H981 H 0.552(8) 0.891(5) 0.079(7) 0.12(4) Uiso 1 d . . .
H982 H 0.494(5) 0.940(3) 0.069(4) 0.04(2) Uiso 1 d . . .
O97 O 0.9821(7) 0.6047(3) 0.4810(4) 0.129(4) Uani 1.000(18) d . . .
O96 O 0.8184(3) 0.7965(2) 0.2779(3) 0.0381(16) Uani 1.000(18) d . . .
H961 H 0.755(5) 0.798(2) 0.225(4) 0.032(14) Uiso 1 d . . .
H962 H 0.824(6) 0.759(5) 0.278(5) 0.08(3) Uiso 1 d . . .
O95 O 0.5336(7) 0.5409(4) 0.3868(5) 0.140(4) Uani 1.000(18) d . . .
O94 O 0.8408(8) 0.4865(5) 0.4616(6) 0.171(6) Uani 1.00(2) d . . .
QN N 0.7051 0.6337 -0.0478 0.050 Uiso 0.00 d P . .
QO O 0.6356 0.5934 0.0818 0.050 Uiso 0.00 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'
P P 0.1023 0.0942 '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
_geom_angle_publ_flag
QO Yb QN 172.436(14) . . ?
QO Yb O32 61.92(7) . 3_665 ?
QN Yb O32 120.93(7) . 3_665 ?
QO Yb O11 70.77(7) . . ?
QN Yb O11 116.16(7) . . ?
O32 Yb O11 80.22(10) 3_665 . ?
QO Yb O21 58.64(7) . . ?
QN Yb O21 118.25(7) . . ?
O32 Yb O21 120.53(10) 3_665 . ?
O11 Yb O21 79.48(10) . . ?
QO Yb O31 58.93(7) . . ?
QN Yb O31 114.07(7) . . ?
O32 Yb O31 76.62(9) 3_665 . ?
O11 Yb O31 129.70(10) . . ?
O21 Yb O31 75.14(10) . . ?
QO Yb N2 120.50(7) . . ?
QN Yb N2 53.18(7) . . ?
O32 Yb N2 150.40(10) 3_665 . ?
O11 Yb N2 129.31(10) . . ?
O21 Yb N2 70.56(10) . . ?
O31 Yb N2 80.82(10) . . ?
QO Yb N4 133.80(8) . . ?
QN Yb N4 52.28(8) . . ?
O32 Yb N4 76.16(10) 3_665 . ?
O11 Yb N4 84.42(11) . . ?
O21 Yb N4 153.86(10) . . ?
O31 Yb N4 130.60(10) . . ?
N2 Yb N4 105.46(10) . . ?
QO Yb N3 122.09(7) . . ?
QN Yb N3 53.42(7) . . ?
O32 Yb N3 84.55(11) 3_665 . ?
O11 Yb N3 151.39(11) . . ?
O21 Yb N3 129.09(10) . . ?
O31 Yb N3 68.62(10) . . ?
N2 Yb N3 69.40(11) . . ?
N4 Yb N3 68.42(11) . . ?
QO Yb N1 131.34(7) . . ?
QN Yb N1 52.65(7) . . ?
O32 Yb N1 135.05(10) 3_665 . ?
O11 Yb N1 69.97(10) . . ?
O21 Yb N1 86.77(10) . . ?
O31 Yb N1 148.20(10) . . ?
N2 Yb N1 68.45(10) . . ?
N4 Yb N1 68.32(11) . . ?
N3 Yb N1 106.08(10) . . ?
QO Yb P1 80.80(2) . . ?
QN Yb P1 104.71(2) . . ?
O32 Yb P1 101.68(7) 3_665 . ?
O11 Yb P1 21.47(8) . . ?
O21 Yb P1 67.84(7) . . ?
O31 Yb P1 135.62(7) . . ?
N2 Yb P1 107.84(8) . . ?
N4 Yb P1 90.03(8) . . ?
N3 Yb P1 155.67(8) . . ?
N1 Yb P1 53.23(8) . . ?
QO Yb P2 70.53(2) . . ?
QN Yb P2 104.29(2) . . ?
O32 Yb P2 129.28(7) 3_665 . ?
O11 Yb P2 100.61(8) . . ?
O21 Yb P2 21.62(7) . . ?
O31 Yb P2 64.11(7) . . ?
N2 Yb P2 52.20(8) . . ?
N4 Yb P2 154.47(8) . . ?
N3 Yb P2 107.78(8) . . ?
N1 Yb P2 89.71(8) . . ?
P1 Yb P2 86.63(3) . . ?
O12 P1 O11 118.77(18) . . ?
O12 P1 C11 107.02(19) . . ?
O11 P1 C11 108.5(2) . . ?
O12 P1 C10 108.9(2) . . ?
O11 P1 C10 104.38(18) . . ?
C11 P1 C10 109.1(2) . . ?
O12 P1 Yb 117.92(13) . . ?
O11 P1 Yb 32.79(11) . . ?
C11 P1 Yb 131.24(16) . . ?
C10 P1 Yb 74.25(14) . . ?
O22 P2 O21 115.98(17) . . ?
O22 P2 C21 107.25(18) . . ?
O21 P2 C21 110.63(19) . . ?
O22 P2 C20 109.9(2) . . ?
O21 P2 C20 105.40(18) . . ?
C21 P2 C20 107.4(2) . . ?
O22 P2 Yb 135.12(13) . . ?
O21 P2 Yb 33.27(11) . . ?
C21 P2 Yb 114.56(15) . . ?
C20 P2 Yb 72.85(14) . . ?
O32 P3 O31 115.69(16) . . ?
O32 P3 C31 107.21(17) . . ?
O31 P3 C31 109.18(18) . . ?
O32 P3 C30 109.74(18) . . ?
O31 P3 C30 105.76(18) . . ?
C31 P3 C30 109.1(2) . . ?
O32 P3 Yb 115.55(11) . . ?
O31 P3 Yb 34.60(10) . . ?
C31 P3 Yb 133.24(14) . . ?
C30 P3 Yb 73.84(14) . . ?
P1 O11 Yb 125.74(17) . . ?
P2 O21 Yb 125.11(16) . . ?
P3 O31 Yb 123.47(15) . . ?
P3 O32 Yb 159.72(18) . 3_665 ?
C10 N1 C1 109.5(3) . . ?
C10 N1 C8 109.0(3) . . ?
C1 N1 C8 108.4(3) . . ?
C10 N1 Yb 106.6(2) . . ?
C1 N1 Yb 112.5(2) . . ?
C8 N1 Yb 110.8(2) . . ?
C3 N2 C20 110.5(3) . . ?
C3 N2 C2 109.7(3) . . ?
C20 N2 C2 107.6(3) . . ?
C3 N2 Yb 111.1(2) . . ?
C20 N2 Yb 106.5(2) . . ?
C2 N2 Yb 111.4(2) . . ?
C5 N3 C30 108.9(3) . . ?
C5 N3 C4 109.5(3) . . ?
C30 N3 C4 109.0(3) . . ?
C5 N3 Yb 112.7(3) . . ?
C30 N3 Yb 106.5(2) . . ?
C4 N3 Yb 110.0(3) . . ?
C40 N4 C6 106.1(4) . . ?
C40 N4 C7 108.5(3) . . ?
C6 N4 C7 109.7(3) . . ?
C40 N4 Yb 112.7(3) . . ?
C6 N4 Yb 109.4(2) . . ?
C7 N4 Yb 110.3(2) . . ?
N1 C1 C2 111.7(3) . . ?
N1 C1 H011 108(3) . . ?
C2 C1 H011 107(3) . . ?
N1 C1 H012 111(2) . . ?
C2 C1 H012 111(2) . . ?
H011 C1 H012 107(4) . . ?
N2 C2 C1 111.8(3) . . ?
N2 C2 H021 110(3) . . ?
C1 C2 H021 107(3) . . ?
N2 C2 H022 108(3) . . ?
C1 C2 H022 111(3) . . ?
H021 C2 H022 109(4) . . ?
N2 C3 C4 112.7(4) . . ?
N2 C3 H031 111(2) . . ?
C4 C3 H031 111(2) . . ?
N2 C3 H032 110(3) . . ?
C4 C3 H032 110(3) . . ?
H031 C3 H032 102(4) . . ?
N3 C4 C3 112.0(4) . . ?
N3 C4 H041 107(3) . . ?
C3 C4 H041 109(3) . . ?
N3 C4 H042 107(3) . . ?
C3 C4 H042 112(3) . . ?
H041 C4 H042 109(4) . . ?
N3 C5 C6 110.8(4) . . ?
N3 C5 H051 108(3) . . ?
C6 C5 H051 108(3) . . ?
N3 C5 H052 107(3) . . ?
C6 C5 H052 113(3) . . ?
H051 C5 H052 109(4) . . ?
N4 C6 C5 112.6(4) . . ?
N4 C6 H061 105(3) . . ?
C5 C6 H061 110(3) . . ?
N4 C6 H062 110(3) . . ?
C5 C6 H062 109(3) . . ?
H061 C6 H062 109(4) . . ?
N4 C7 C8 110.8(3) . . ?
N4 C7 H071 109(2) . . ?
C8 C7 H071 111(2) . . ?
N4 C7 H072 109(2) . . ?
C8 C7 H072 113(2) . . ?
H071 C7 H072 105(3) . . ?
N1 C8 C7 110.7(3) . . ?
N1 C8 H081 108(2) . . ?
C7 C8 H081 108(2) . . ?
N1 C8 H082 107(2) . . ?
C7 C8 H082 111(2) . . ?
H081 C8 H082 113(3) . . ?
N1 C10 P1 112.5(3) . . ?
N1 C10 H101 109(3) . . ?
P1 C10 H101 111(3) . . ?
N1 C10 H102 108(3) . . ?
P1 C10 H102 104(3) . . ?
H101 C10 H102 113(4) . . ?
C12 C11 C16 118.6(5) . . ?
C12 C11 P1 120.9(4) . . ?
C16 C11 P1 120.1(4) . . ?
C13 C12 C11 120.7(5) . . ?
C13 C12 H12 121(4) . . ?
C11 C12 H12 119(4) . . ?
C14 C13 C12 120.2(6) . . ?
C14 C13 H13 123(3) . . ?
C12 C13 H13 117(3) . . ?
C13 C14 C15 119.6(5) . . ?
C13 C14 H14 121(4) . . ?
C15 C14 H14 119(4) . . ?
C16 C15 C14 121.1(6) . . ?
C16 C15 H15 121(4) . . ?
C14 C15 H15 118(4) . . ?
C15 C16 C11 119.9(6) . . ?
C15 C16 H16 121(3) . . ?
C11 C16 H16 119(3) . . ?
N2 C20 P2 109.2(3) . . ?
N2 C20 H201 109(2) . . ?
P2 C20 H201 110(2) . . ?
N2 C20 H202 110(3) . . ?
P2 C20 H202 114(3) . . ?
H201 C20 H202 105(4) . . ?
C26 C21 C22 119.4(5) . . ?
C26 C21 P2 121.5(4) . . ?
C22 C21 P2 118.9(4) . . ?
C23 C22 C21 119.7(6) . . ?
C23 C22 H22 124(3) . . ?
C21 C22 H22 116(3) . . ?
C24 C23 C22 120.2(7) . . ?
C24 C23 H23 126(4) . . ?
C22 C23 H23 113(4) . . ?
C25 C24 C23 120.0(6) . . ?
C25 C24 H24 123(5) . . ?
C23 C24 H24 117(5) . . ?
C24 C25 C26 121.1(7) . . ?
C24 C25 H25 121(5) . . ?
C26 C25 H25 118(5) . . ?
C25 C26 C21 119.5(6) . . ?
C25 C26 H26 123(3) . . ?
C21 C26 H26 117(3) . . ?
N3 C30 P3 109.8(3) . . ?
N3 C30 H301 108(3) . . ?
P3 C30 H301 116(3) . . ?
N3 C30 H302 109(2) . . ?
P3 C30 H302 102(2) . . ?
H301 C30 H302 112(3) . . ?
C32 C31 C36 119.4(4) . . ?
C32 C31 P3 122.0(4) . . ?
C36 C31 P3 118.1(4) . . ?
C31 C32 C33 119.9(6) . . ?
C31 C32 H32 124(3) . . ?
C33 C32 H32 117(3) . . ?
C34 C33 C32 119.9(6) . . ?
C34 C33 H33 122(4) . . ?
C32 C33 H33 118(4) . . ?
C35 C34 C33 120.7(5) . . ?
C35 C34 H34 123(4) . . ?
C33 C34 H34 116(4) . . ?
C34 C35 C36 120.2(6) . . ?
C34 C35 H35 124(4) . . ?
C36 C35 H35 116(4) . . ?
C31 C36 C35 119.7(5) . . ?
C31 C36 H36 123(3) . . ?
C35 C36 H36 116(3) . . ?
N4 C40 H401 110(3) . . ?
N4 C40 H402 109(3) . . ?
H401 C40 H402 113(4) . . ?
N4 C40 H403 111(3) . . ?
H401 C40 H403 109(4) . . ?
H402 C40 H403 105(4) . . ?
H992 O99 H991 121(10) . . ?
H981 O98 H982 100(8) . . ?
H961 O96 H962 95(6) . . ?
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
Yb QO 1.08535(19) . ?
Yb QN 1.5732(2) . ?
Yb O32 2.205(3) 3_665 ?
Yb O11 2.243(3) . ?
Yb O21 2.258(3) . ?
Yb O31 2.296(3) . ?
Yb N2 2.579(3) . ?
Yb N4 2.605(3) . ?
Yb N3 2.616(3) . ?
Yb N1 2.631(3) . ?
Yb P1 3.3621(12) . ?
Yb P2 3.3678(11) . ?
P1 O12 1.496(3) . ?
P1 O11 1.516(3) . ?
P1 C11 1.811(4) . ?
P1 C10 1.836(5) . ?
P2 O22 1.501(3) . ?
P2 O21 1.517(3) . ?
P2 C21 1.803(4) . ?
P2 C20 1.827(5) . ?
P3 O32 1.505(3) . ?
P3 O31 1.510(3) . ?
P3 C31 1.806(4) . ?
P3 C30 1.822(4) . ?
O32 Yb 2.205(3) 3_665 ?
N1 C10 1.479(6) . ?
N1 C1 1.487(5) . ?
N1 C8 1.487(5) . ?
N2 C3 1.481(5) . ?
N2 C20 1.490(5) . ?
N2 C2 1.499(5) . ?
N3 C5 1.485(6) . ?
N3 C30 1.488(5) . ?
N3 C4 1.490(6) . ?
N4 C40 1.479(6) . ?
N4 C6 1.481(6) . ?
N4 C7 1.482(5) . ?
C1 C2 1.509(6) . ?
C1 H011 0.97(5) . ?
C1 H012 0.99(4) . ?
C2 H021 0.98(5) . ?
C2 H022 0.96(5) . ?
C3 C4 1.502(6) . ?
C3 H031 0.93(4) . ?
C3 H032 0.99(5) . ?
C4 H041 0.90(4) . ?
C4 H042 0.94(5) . ?
C5 C6 1.502(7) . ?
C5 H051 0.88(5) . ?
C5 H052 0.88(5) . ?
C6 H061 0.88(5) . ?
C6 H062 0.94(5) . ?
C7 C8 1.506(6) . ?
C7 H071 0.92(4) . ?
C7 H072 0.97(4) . ?
C8 H081 0.99(4) . ?
C8 H082 1.02(5) . ?
C10 H101 0.94(5) . ?
C10 H102 0.92(5) . ?
C11 C12 1.385(7) . ?
C11 C16 1.403(7) . ?
C12 C13 1.385(7) . ?
C12 H12 0.90(6) . ?
C13 C14 1.375(8) . ?
C13 H13 0.85(5) . ?
C14 C15 1.375(9) . ?
C14 H14 0.89(6) . ?
C15 C16 1.374(8) . ?
C15 H15 0.83(7) . ?
C16 H16 0.89(5) . ?
C20 H201 0.96(4) . ?
C20 H202 0.94(5) . ?
C21 C26 1.392(7) . ?
C21 C22 1.395(7) . ?
C22 C23 1.394(8) . ?
C22 H22 0.99(6) . ?
C23 C24 1.377(11) . ?
C23 H23 0.98(6) . ?
C24 C25 1.366(11) . ?
C24 H24 0.92(8) . ?
C25 C26 1.387(8) . ?
C25 H25 0.77(7) . ?
C26 H26 0.88(5) . ?
C30 H301 0.99(5) . ?
C30 H302 1.02(4) . ?
C31 C32 1.384(7) . ?
C31 C36 1.389(7) . ?
C32 C33 1.389(8) . ?
C32 H32 0.91(5) . ?
C33 C34 1.370(9) . ?
C33 H33 0.82(6) . ?
C34 C35 1.358(9) . ?
C34 H34 0.82(7) . ?
C35 C36 1.390(7) . ?
C35 H35 0.84(6) . ?
C36 H36 0.93(5) . ?
C40 H401 0.93(5) . ?
C40 H402 0.96(5) . ?
C40 H403 0.93(5) . ?
O99 H992 0.62(18) . ?
O99 H991 0.88(16) . ?
O98 H981 0.87(10) . ?
O98 H982 0.68(6) . ?
O96 H961 0.92(6) . ?
O96 H962 0.76(9) . ?
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
QO Yb P1 O12 -40.55(16) . . . . ?
QN Yb P1 O12 134.16(16) . . . . ?
O32 Yb P1 O12 -99.19(17) 3_665 . . . ?
O11 Yb P1 O12 -100.6(3) . . . . ?
O21 Yb P1 O12 19.23(17) . . . . ?
O31 Yb P1 O12 -16.46(19) . . . . ?
N2 Yb P1 O12 78.67(17) . . . . ?
N4 Yb P1 O12 -175.06(17) . . . . ?
N3 Yb P1 O12 158.0(2) . . . . ?
N1 Yb P1 O12 122.43(18) . . . . ?
P2 Yb P1 O12 30.26(16) . . . . ?
QO Yb P1 O11 60.0(2) . . . . ?
QN Yb P1 O11 -125.3(2) . . . . ?
O32 Yb P1 O11 1.4(2) 3_665 . . . ?
O21 Yb P1 O11 119.8(2) . . . . ?
O31 Yb P1 O11 84.1(2) . . . . ?
N2 Yb P1 O11 179.2(2) . . . . ?
N4 Yb P1 O11 -74.5(2) . . . . ?
N3 Yb P1 O11 -101.4(3) . . . . ?
N1 Yb P1 O11 -137.0(2) . . . . ?
P2 Yb P1 O11 130.8(2) . . . . ?
QO Yb P1 C11 114.3(2) . . . . ?
QN Yb P1 C11 -71.0(2) . . . . ?
O32 Yb P1 C11 55.7(2) 3_665 . . . ?
O11 Yb P1 C11 54.3(3) . . . . ?
O21 Yb P1 C11 174.1(2) . . . . ?
O31 Yb P1 C11 138.4(2) . . . . ?
N2 Yb P1 C11 -126.5(2) . . . . ?
N4 Yb P1 C11 -20.2(2) . . . . ?
N3 Yb P1 C11 -47.1(3) . . . . ?
N1 Yb P1 C11 -82.7(2) . . . . ?
P2 Yb P1 C11 -174.9(2) . . . . ?
QO Yb P1 C10 -143.89(16) . . . . ?
QN Yb P1 C10 30.82(16) . . . . ?
O32 Yb P1 C10 157.47(17) 3_665 . . . ?
O11 Yb P1 C10 156.1(3) . . . . ?
O21 Yb P1 C10 -84.11(18) . . . . ?
O31 Yb P1 C10 -119.80(18) . . . . ?
N2 Yb P1 C10 -24.68(18) . . . . ?
N4 Yb P1 C10 81.59(17) . . . . ?
N3 Yb P1 C10 54.7(3) . . . . ?
N1 Yb P1 C10 19.08(18) . . . . ?
P2 Yb P1 C10 -73.08(16) . . . . ?
QO Yb P2 O22 119.17(18) . . . . ?
QN Yb P2 O22 -66.59(18) . . . . ?
O32 Yb P2 O22 140.1(2) 3_665 . . . ?
O11 Yb P2 O22 54.1(2) . . . . ?
O21 Yb P2 O22 66.5(3) . . . . ?
O31 Yb P2 O22 -176.7(2) . . . . ?
N2 Yb P2 O22 -78.0(2) . . . . ?
N4 Yb P2 O22 -45.3(3) . . . . ?
N3 Yb P2 O22 -122.3(2) . . . . ?
N1 Yb P2 O22 -15.4(2) . . . . ?
P1 Yb P2 O22 37.74(18) . . . . ?
QO Yb P2 O21 52.7(2) . . . . ?
QN Yb P2 O21 -133.1(2) . . . . ?
O32 Yb P2 O21 73.6(2) 3_665 . . . ?
O11 Yb P2 O21 -12.4(2) . . . . ?
O31 Yb P2 O21 116.8(2) . . . . ?
N2 Yb P2 O21 -144.5(2) . . . . ?
N4 Yb P2 O21 -111.7(3) . . . . ?
N3 Yb P2 O21 171.3(2) . . . . ?
N1 Yb P2 O21 -81.9(2) . . . . ?
P1 Yb P2 O21 -28.7(2) . . . . ?
QO Yb P2 C21 -37.87(17) . . . . ?
QN Yb P2 C21 136.36(17) . . . . ?
O32 Yb P2 C21 -16.96(19) 3_665 . . . ?
O11 Yb P2 C21 -102.94(18) . . . . ?
O21 Yb P2 C21 -90.6(3) . . . . ?
O31 Yb P2 C21 26.23(18) . . . . ?
N2 Yb P2 C21 124.96(19) . . . . ?
N4 Yb P2 C21 157.7(2) . . . . ?
N3 Yb P2 C21 80.70(19) . . . . ?
N1 Yb P2 C21 -172.49(18) . . . . ?
P1 Yb P2 C21 -119.31(17) . . . . ?
QO Yb P2 C20 -139.61(15) . . . . ?
QN Yb P2 C20 34.63(15) . . . . ?
O32 Yb P2 C20 -118.69(18) 3_665 . . . ?
O11 Yb P2 C20 155.33(17) . . . . ?
O21 Yb P2 C20 167.7(3) . . . . ?
O31 Yb P2 C20 -75.51(17) . . . . ?
N2 Yb P2 C20 23.23(18) . . . . ?
N4 Yb P2 C20 56.0(2) . . . . ?
N3 Yb P2 C20 -21.03(17) . . . . ?
N1 Yb P2 C20 85.78(17) . . . . ?
P1 Yb P2 C20 138.96(15) . . . . ?
QO Yb P3 O32 -44.92(13) . . . . ?
QN Yb P3 O32 140.47(13) . . . . ?
O32 Yb P3 O32 22.5(2) 3_665 . . . ?
O11 Yb P3 O32 -15.91(18) . . . . ?
O21 Yb P3 O32 -98.06(15) . . . . ?
O31 Yb P3 O32 -98.8(2) . . . . ?
N2 Yb P3 O32 -168.23(15) . . . . ?
N4 Yb P3 O32 86.03(15) . . . . ?
N3 Yb P3 O32 126.77(17) . . . . ?
N1 Yb P3 O32 164.9(2) . . . . ?
P1 Yb P3 O32 -42.52(15) . . . . ?
P2 Yb P3 O32 -116.02(13) . . . . ?
QO Yb P3 O31 53.90(19) . . . . ?
QN Yb P3 O31 -120.71(19) . . . . ?
O32 Yb P3 O31 121.4(2) 3_665 . . . ?
O11 Yb P3 O31 82.9(2) . . . . ?
O21 Yb P3 O31 0.8(2) . . . . ?
N2 Yb P3 O31 -69.4(2) . . . . ?
N4 Yb P3 O31 -175.1(2) . . . . ?
N3 Yb P3 O31 -134.4(2) . . . . ?
N1 Yb P3 O31 -96.3(2) . . . . ?
P1 Yb P3 O31 56.3(2) . . . . ?
P2 Yb P3 O31 -17.20(19) . . . . ?
QO Yb P3 C31 109.2(2) . . . . ?
QN Yb P3 C31 -65.4(2) . . . . ?
O32 Yb P3 C31 176.7(2) 3_665 . . . ?
O11 Yb P3 C31 138.2(2) . . . . ?
O21 Yb P3 C31 56.1(2) . . . . ?
O31 Yb P3 C31 55.3(3) . . . . ?
N2 Yb P3 C31 -14.1(2) . . . . ?
N4 Yb P3 C31 -119.8(2) . . . . ?
N3 Yb P3 C31 -79.1(2) . . . . ?
N1 Yb P3 C31 -41.0(3) . . . . ?
P1 Yb P3 C31 111.6(2) . . . . ?
P2 Yb P3 C31 38.1(2) . . . . ?
QO Yb P3 C30 -149.46(15) . . . . ?
QN Yb P3 C30 35.92(15) . . . . ?
O32 Yb P3 C30 -82.01(17) 3_665 . . . ?
O11 Yb P3 C30 -120.45(19) . . . . ?
O21 Yb P3 C30 157.39(17) . . . . ?
O31 Yb P3 C30 156.6(2) . . . . ?
N2 Yb P3 C30 87.22(17) . . . . ?
N4 Yb P3 C30 -18.52(17) . . . . ?
N3 Yb P3 C30 22.22(18) . . . . ?
N1 Yb P3 C30 60.3(2) . . . . ?
P1 Yb P3 C30 -147.07(16) . . . . ?
P2 Yb P3 C30 139.43(15) . . . . ?
O12 P1 O11 Yb 97.7(2) . . . . ?
C11 P1 O11 Yb -139.9(2) . . . . ?
C10 P1 O11 Yb -23.7(3) . . . . ?
QO Yb O11 P1 -115.1(2) . . . . ?
QN Yb O11 P1 61.6(2) . . . . ?
O32 Yb O11 P1 -178.6(2) 3_665 . . . ?
O21 Yb O11 P1 -54.8(2) . . . . ?
O31 Yb O11 P1 -115.29(19) . . . . ?
N2 Yb O11 P1 -1.0(3) . . . . ?
N4 Yb O11 P1 104.5(2) . . . . ?
N3 Yb O11 P1 122.5(2) . . . . ?
N1 Yb O11 P1 35.54(19) . . . . ?
P2 Yb O11 P1 -50.2(2) . . . . ?
O22 P2 O21 Yb -133.97(19) . . . . ?
C21 P2 O21 Yb 103.6(2) . . . . ?
C20 P2 O21 Yb -12.2(3) . . . . ?
QO Yb O21 P2 -118.6(2) . . . . ?
QN Yb O21 P2 53.5(2) . . . . ?
O32 Yb O21 P2 -120.44(19) 3_665 . . . ?
O11 Yb O21 P2 167.6(2) . . . . ?
O31 Yb O21 P2 -56.19(19) . . . . ?
N2 Yb O21 P2 29.14(18) . . . . ?
N4 Yb O21 P2 114.7(3) . . . . ?
N3 Yb O21 P2 -10.7(3) . . . . ?
N1 Yb O21 P2 97.4(2) . . . . ?
P1 Yb O21 P2 148.8(2) . . . . ?
O32 P3 O31 Yb 98.4(2) . . . . ?
C31 P3 O31 Yb -140.64(19) . . . . ?
C30 P3 O31 Yb -23.3(2) . . . . ?
QO Yb O31 P3 -117.17(19) . . . . ?
QN Yb O31 P3 66.08(19) . . . . ?
O32 Yb O31 P3 -52.11(18) 3_665 . . . ?
O11 Yb O31 P3 -116.98(19) . . . . ?
O21 Yb O31 P3 -179.2(2) . . . . ?
N2 Yb O31 P3 108.59(19) . . . . ?
N4 Yb O31 P3 6.1(3) . . . . ?
N3 Yb O31 P3 37.22(18) . . . . ?
N1 Yb O31 P3 123.4(2) . . . . ?
P1 Yb O31 P3 -145.23(13) . . . . ?
P2 Yb O31 P3 160.9(2) . . . . ?
O31 P3 O32 Yb -134.6(5) . . . 3_665 ?
C31 P3 O32 Yb 103.3(5) . . . 3_665 ?
C30 P3 O32 Yb -15.1(6) . . . 3_665 ?
Yb P3 O32 Yb -96.1(5) . . . 3_665 ?
QO Yb N1 C10 -1.4(3) . . . . ?
QN Yb N1 C10 170.3(3) . . . . ?
O32 Yb N1 C10 -91.1(3) 3_665 . . . ?
O11 Yb N1 C10 -39.5(3) . . . . ?
O21 Yb N1 C10 40.5(3) . . . . ?
O31 Yb N1 C10 95.2(3) . . . . ?
N2 Yb N1 C10 110.9(3) . . . . ?
N4 Yb N1 C10 -131.4(3) . . . . ?
N3 Yb N1 C10 170.4(2) . . . . ?
P1 Yb N1 C10 -24.1(2) . . . . ?
P2 Yb N1 C10 62.0(3) . . . . ?
QO Yb N1 C1 -121.5(2) . . . . ?
QN Yb N1 C1 50.2(2) . . . . ?
O32 Yb N1 C1 148.9(2) 3_665 . . . ?
O11 Yb N1 C1 -159.5(3) . . . . ?
O21 Yb N1 C1 -79.5(3) . . . . ?
O31 Yb N1 C1 -24.9(4) . . . . ?
N2 Yb N1 C1 -9.2(3) . . . . ?
N4 Yb N1 C1 108.6(3) . . . . ?
N3 Yb N1 C1 50.3(3) . . . . ?
P1 Yb N1 C1 -144.1(3) . . . . ?
P2 Yb N1 C1 -58.1(3) . . . . ?
QO Yb N1 C8 117.1(2) . . . . ?
QN Yb N1 C8 -71.3(2) . . . . ?
O32 Yb N1 C8 27.4(3) 3_665 . . . ?
O11 Yb N1 C8 79.0(3) . . . . ?
O21 Yb N1 C8 159.0(3) . . . . ?
O31 Yb N1 C8 -146.4(2) . . . . ?
N2 Yb N1 C8 -130.6(3) . . . . ?
N4 Yb N1 C8 -12.9(2) . . . . ?
N3 Yb N1 C8 -71.1(3) . . . . ?
P1 Yb N1 C8 94.4(3) . . . . ?
P2 Yb N1 C8 -179.6(3) . . . . ?
QO Yb N2 C3 -130.3(2) . . . . ?
QN Yb N2 C3 44.7(2) . . . . ?
O32 Yb N2 C3 -44.3(4) 3_665 . . . ?
O11 Yb N2 C3 140.3(2) . . . . ?
O21 Yb N2 C3 -162.3(3) . . . . ?
O31 Yb N2 C3 -84.9(3) . . . . ?
N4 Yb N2 C3 44.8(3) . . . . ?
N3 Yb N2 C3 -14.4(2) . . . . ?
N1 Yb N2 C3 103.4(3) . . . . ?
P1 Yb N2 C3 140.0(2) . . . . ?
P2 Yb N2 C3 -149.2(3) . . . . ?
QO Yb N2 C20 -10.0(3) . . . . ?
QN Yb N2 C20 165.0(3) . . . . ?
O32 Yb N2 C20 76.1(3) 3_665 . . . ?
O11 Yb N2 C20 -99.3(3) . . . . ?
O21 Yb N2 C20 -41.9(2) . . . . ?
O31 Yb N2 C20 35.5(2) . . . . ?
N4 Yb N2 C20 165.2(2) . . . . ?
N3 Yb N2 C20 106.0(3) . . . . ?
N1 Yb N2 C20 -136.2(3) . . . . ?
P1 Yb N2 C20 -99.7(2) . . . . ?
P2 Yb N2 C20 -28.8(2) . . . . ?
QO Yb N2 C2 107.1(2) . . . . ?
QN Yb N2 C2 -77.9(2) . . . . ?
O32 Yb N2 C2 -166.9(2) 3_665 . . . ?
O11 Yb N2 C2 17.8(3) . . . . ?
O21 Yb N2 C2 75.1(3) . . . . ?
O31 Yb N2 C2 152.5(3) . . . . ?
N4 Yb N2 C2 -77.7(3) . . . . ?
N3 Yb N2 C2 -137.0(3) . . . . ?
N1 Yb N2 C2 -19.2(2) . . . . ?
P1 Yb N2 C2 17.4(3) . . . . ?
P2 Yb N2 C2 88.3(3) . . . . ?
QO Yb N3 C5 -137.8(3) . . . . ?
QN Yb N3 C5 49.6(3) . . . . ?
O32 Yb N3 C5 -86.0(3) 3_665 . . . ?
O11 Yb N3 C5 -28.1(4) . . . . ?
O21 Yb N3 C5 148.6(3) . . . . ?
O31 Yb N3 C5 -163.7(3) . . . . ?
N2 Yb N3 C5 108.3(3) . . . . ?
N4 Yb N3 C5 -8.7(3) . . . . ?
N1 Yb N3 C5 49.5(3) . . . . ?
P1 Yb N3 C5 20.4(4) . . . . ?
P2 Yb N3 C5 144.4(3) . . . . ?
QO Yb N3 C30 -18.4(3) . . . . ?
QN Yb N3 C30 169.0(3) . . . . ?
O32 Yb N3 C30 33.5(2) 3_665 . . . ?
O11 Yb N3 C30 91.3(3) . . . . ?
O21 Yb N3 C30 -92.0(3) . . . . ?
O31 Yb N3 C30 -44.3(2) . . . . ?
N2 Yb N3 C30 -132.2(3) . . . . ?
N4 Yb N3 C30 110.7(3) . . . . ?
N1 Yb N3 C30 168.9(2) . . . . ?
P1 Yb N3 C30 139.9(2) . . . . ?
P2 Yb N3 C30 -96.1(2) . . . . ?
QO Yb N3 C4 99.7(2) . . . . ?
QN Yb N3 C4 -73.0(2) . . . . ?
O32 Yb N3 C4 151.5(3) 3_665 . . . ?
O11 Yb N3 C4 -150.6(3) . . . . ?
O21 Yb N3 C4 26.0(3) . . . . ?
O31 Yb N3 C4 73.7(3) . . . . ?
N2 Yb N3 C4 -14.2(2) . . . . ?
N4 Yb N3 C4 -131.2(3) . . . . ?
N1 Yb N3 C4 -73.1(3) . . . . ?
P1 Yb N3 C4 -102.1(3) . . . . ?
P2 Yb N3 C4 21.9(3) . . . . ?
QO Yb N4 C40 -23.7(3) . . . . ?
QN Yb N4 C40 162.2(3) . . . . ?
O32 Yb N4 C40 -48.5(3) 3_665 . . . ?
O11 Yb N4 C40 32.8(3) . . . . ?
O21 Yb N4 C40 84.8(4) . . . . ?
O31 Yb N4 C40 -106.8(3) . . . . ?
N2 Yb N4 C40 162.1(3) . . . . ?
N3 Yb N4 C40 -138.1(3) . . . . ?
N1 Yb N4 C40 103.4(3) . . . . ?
P1 Yb N4 C40 53.5(3) . . . . ?
P2 Yb N4 C40 135.8(3) . . . . ?
QO Yb N4 C6 94.1(3) . . . . ?
QN Yb N4 C6 -80.0(3) . . . . ?
O32 Yb N4 C6 69.3(3) 3_665 . . . ?
O11 Yb N4 C6 150.6(3) . . . . ?
O21 Yb N4 C6 -157.4(3) . . . . ?
O31 Yb N4 C6 11.0(3) . . . . ?
N2 Yb N4 C6 -80.1(3) . . . . ?
N3 Yb N4 C6 -20.2(3) . . . . ?
N1 Yb N4 C6 -138.8(3) . . . . ?
P1 Yb N4 C6 171.3(3) . . . . ?
P2 Yb N4 C6 -106.4(3) . . . . ?
QO Yb N4 C7 -145.2(2) . . . . ?
QN Yb N4 C7 40.8(2) . . . . ?
O32 Yb N4 C7 -170.0(3) 3_665 . . . ?
O11 Yb N4 C7 -88.7(3) . . . . ?
O21 Yb N4 C7 -36.7(4) . . . . ?
O31 Yb N4 C7 131.7(3) . . . . ?
N2 Yb N4 C7 40.6(3) . . . . ?
N3 Yb N4 C7 100.5(3) . . . . ?
N1 Yb N4 C7 -18.1(3) . . . . ?
P1 Yb N4 C7 -67.9(3) . . . . ?
P2 Yb N4 C7 14.3(4) . . . . ?
C10 N1 C1 C2 -81.6(4) . . . . ?
C8 N1 C1 C2 159.6(4) . . . . ?
Yb N1 C1 C2 36.7(4) . . . . ?
C3 N2 C2 C1 -76.6(4) . . . . ?
C20 N2 C2 C1 163.1(4) . . . . ?
Yb N2 C2 C1 46.8(4) . . . . ?
N1 C1 C2 N2 -56.9(5) . . . . ?
C20 N2 C3 C4 -75.1(4) . . . . ?
C2 N2 C3 C4 166.4(4) . . . . ?
Yb N2 C3 C4 42.8(4) . . . . ?
C5 N3 C4 C3 -82.4(4) . . . . ?
C30 N3 C4 C3 158.5(4) . . . . ?
Yb N3 C4 C3 42.0(4) . . . . ?
N2 C3 C4 N3 -59.0(5) . . . . ?
C30 N3 C5 C6 -81.2(5) . . . . ?
C4 N3 C5 C6 159.6(4) . . . . ?
Yb N3 C5 C6 36.8(4) . . . . ?
C40 N4 C6 C5 171.0(4) . . . . ?
C7 N4 C6 C5 -72.0(5) . . . . ?
Yb N4 C6 C5 49.1(4) . . . . ?
N3 C5 C6 N4 -59.3(5) . . . . ?
C40 N4 C7 C8 -75.7(4) . . . . ?
C6 N4 C7 C8 168.7(4) . . . . ?
Yb N4 C7 C8 48.2(4) . . . . ?
C10 N1 C8 C7 159.8(4) . . . . ?
C1 N1 C8 C7 -81.0(4) . . . . ?
Yb N1 C8 C7 42.8(4) . . . . ?
N4 C7 C8 N1 -62.9(5) . . . . ?
C1 N1 C10 P1 162.3(3) . . . . ?
C8 N1 C10 P1 -79.3(4) . . . . ?
Yb N1 C10 P1 40.3(3) . . . . ?
O12 P1 C10 N1 -145.0(3) . . . . ?
O11 P1 C10 N1 -17.2(4) . . . . ?
C11 P1 C10 N1 98.6(3) . . . . ?
Yb P1 C10 N1 -30.3(3) . . . . ?
O12 P1 C11 C12 115.1(4) . . . . ?
O11 P1 C11 C12 -14.1(4) . . . . ?
C10 P1 C11 C12 -127.2(4) . . . . ?
Yb P1 C11 C12 -41.8(5) . . . . ?
O12 P1 C11 C16 -58.3(4) . . . . ?
O11 P1 C11 C16 172.5(4) . . . . ?
C10 P1 C11 C16 59.4(4) . . . . ?
Yb P1 C11 C16 144.8(3) . . . . ?
C16 C11 C12 C13 0.0(7) . . . . ?
P1 C11 C12 C13 -173.5(4) . . . . ?
C11 C12 C13 C14 -0.4(8) . . . . ?
C12 C13 C14 C15 -0.3(8) . . . . ?
C13 C14 C15 C16 1.3(8) . . . . ?
C14 C15 C16 C11 -1.7(8) . . . . ?
C12 C11 C16 C15 1.0(7) . . . . ?
P1 C11 C16 C15 174.5(4) . . . . ?
C3 N2 C20 P2 168.7(3) . . . . ?
C2 N2 C20 P2 -71.5(4) . . . . ?
Yb N2 C20 P2 48.0(3) . . . . ?
O22 P2 C20 N2 97.8(3) . . . . ?
O21 P2 C20 N2 -27.9(3) . . . . ?
C21 P2 C20 N2 -145.9(3) . . . . ?
Yb P2 C20 N2 -34.8(2) . . . . ?
O22 P2 C21 C26 -120.0(4) . . . . ?
O21 P2 C21 C26 7.4(4) . . . . ?
C20 P2 C21 C26 122.0(4) . . . . ?
Yb P2 C21 C26 43.3(4) . . . . ?
O22 P2 C21 C22 55.4(4) . . . . ?
O21 P2 C21 C22 -177.2(3) . . . . ?
C20 P2 C21 C22 -62.7(4) . . . . ?
Yb P2 C21 C22 -141.3(3) . . . . ?
C26 C21 C22 C23 1.1(7) . . . . ?
P2 C21 C22 C23 -174.4(4) . . . . ?
C21 C22 C23 C24 0.4(8) . . . . ?
C22 C23 C24 C25 -0.7(10) . . . . ?
C23 C24 C25 C26 -0.6(10) . . . . ?
C24 C25 C26 C21 2.1(9) . . . . ?
C22 C21 C26 C25 -2.3(7) . . . . ?
P2 C21 C26 C25 173.0(4) . . . . ?
C5 N3 C30 P3 167.9(3) . . . . ?
C4 N3 C30 P3 -72.7(4) . . . . ?
Yb N3 C30 P3 46.0(3) . . . . ?
O32 P3 C30 N3 -145.8(3) . . . . ?
O31 P3 C30 N3 -20.3(3) . . . . ?
C31 P3 C30 N3 97.0(3) . . . . ?
Yb P3 C30 N3 -33.9(2) . . . . ?
O32 P3 C31 C32 -82.1(4) . . . . ?
O31 P3 C31 C32 151.8(4) . . . . ?
C30 P3 C31 C32 36.7(4) . . . . ?
Yb P3 C31 C32 122.2(3) . . . . ?
O32 P3 C31 C36 90.3(4) . . . . ?
O31 P3 C31 C36 -35.7(4) . . . . ?
C30 P3 C31 C36 -150.8(3) . . . . ?
Yb P3 C31 C36 -65.3(4) . . . . ?
C36 C31 C32 C33 0.1(7) . . . . ?
P3 C31 C32 C33 172.5(4) . . . . ?
C31 C32 C33 C34 -3.0(8) . . . . ?
C32 C33 C34 C35 3.5(8) . . . . ?
C33 C34 C35 C36 -1.1(8) . . . . ?
C32 C31 C36 C35 2.3(7) . . . . ?
P3 C31 C36 C35 -170.4(4) . . . . ?
C34 C35 C36 C31 -1.8(8) . . . . ?
