# Electronic Supplementary Material (ESI) for CrystEngComm.
# This journal is © The Royal Society of Chemistry 2015

####################################################################### 
# 
# This file contains crystal structure data downloaded from the 
# Cambridge Structural Database (CSD) hosted by the Cambridge 
# Crystallographic Data Centre (CCDC).
# 
# Full information about CCDC data access policies and citation 
# guidelines are available at http://www.ccdc.cam.ac.uk/access/V1 
# 
# Audit and citation data items may have been added by the CCDC. 
# Please retain this information to preserve the provenance of 
# this file and to allow appropriate attribution of the data. 
# 
#######################################################################

data_1
_database_code_depnum_ccdc_archive 'CCDC 1040769'
_audit_update_record             
;
2015-04-09 deposited with the CCDC.
2015-04-13 downloaded from the CCDC.
;

_audit_creation_method           SHELXL-97
_chemical_name_systematic        
; 
 ? 
;
_chemical_name_common            ?
_chemical_melting_point          ?
_chemical_formula_moiety         ?
_chemical_formula_sum            'C42 H26 Eu2 N4 O13'
_chemical_formula_weight         1098.59

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'
Eu Eu -0.1578 3.6682 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'

_symmetry_cell_setting           Triclinic
_symmetry_space_group_name_H-M   P-1

loop_
_symmetry_equiv_pos_as_xyz
'x, y, z'
'-x, -y, -z'

_cell_length_a                   10.9563(8)
_cell_length_b                   12.8519(10)
_cell_length_c                   14.8421(12)
_cell_angle_alpha                70.974(2)
_cell_angle_beta                 83.543(2)
_cell_angle_gamma                86.737(2)
_cell_volume                     1962.7(3)
_cell_formula_units_Z            2
_cell_measurement_temperature    296(2)
_cell_measurement_reflns_used    ?
_cell_measurement_theta_min      ?
_cell_measurement_theta_max      ?

_exptl_crystal_description       block
_exptl_crystal_colour            colorless
_exptl_crystal_size_max          ?
_exptl_crystal_size_mid          ?
_exptl_crystal_size_min          ?
_exptl_crystal_density_meas      ?
_exptl_crystal_density_diffrn    1.859
_exptl_crystal_density_method    'not measured'
_exptl_crystal_F_000             1072
_exptl_absorpt_coefficient_mu    3.240
_exptl_absorpt_correction_type   ?
_exptl_absorpt_correction_T_min  ?
_exptl_absorpt_correction_T_max  ?
_exptl_absorpt_process_details   ?

_exptl_special_details           
; 
 ? 
;

_diffrn_ambient_temperature      296(2)
_diffrn_radiation_wavelength     0.71073
_diffrn_radiation_type           MoK\a
_diffrn_radiation_source         'fine-focus sealed tube'
_diffrn_radiation_monochromator  graphite
_diffrn_measurement_device_type  ?
_diffrn_measurement_method       ?
_diffrn_detector_area_resol_mean ?
_diffrn_standards_number         ?
_diffrn_standards_interval_count ?
_diffrn_standards_interval_time  ?
_diffrn_standards_decay_%        ?
_diffrn_reflns_number            9889
_diffrn_reflns_av_R_equivalents  0.0491
_diffrn_reflns_av_sigmaI/netI    0.1064
_diffrn_reflns_limit_h_min       -12
_diffrn_reflns_limit_h_max       13
_diffrn_reflns_limit_k_min       -15
_diffrn_reflns_limit_k_max       14
_diffrn_reflns_limit_l_min       -17
_diffrn_reflns_limit_l_max       16
_diffrn_reflns_theta_min         1.87
_diffrn_reflns_theta_max         25.01
_reflns_number_total             6854
_reflns_number_gt                4676
_reflns_threshold_expression     >2sigma(I)

_computing_data_collection       ?
_computing_cell_refinement       ?
_computing_data_reduction        ?
_computing_structure_solution    'SHELXS-97 (Sheldrick, 1990)'
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 1997)'
_computing_molecular_graphics    ?
_computing_publication_material  ?

_refine_special_details          
; 
 Refinement of F² against ALL reflections.  The weighted R-factor wR and 
 goodness of fit S are based on F², conventional R-factors R are based 
 on F, with F set to zero for negative F². The threshold expression of 
 F² > 2sigma(F²) is used only for calculating R-factors(gt) etc. and is 
 not relevant to the choice of reflections for refinement.  R-factors based 
 on F² 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/[σ²(Fo²)+(0.0411P)²+5.3548P] where P=(Fo²+2Fc²)/3'
_atom_sites_solution_primary     direct
_atom_sites_solution_secondary   difmap
_atom_sites_solution_hydrogens   geom
_refine_ls_hydrogen_treatment    mixed
_refine_ls_extinction_method     none
_refine_ls_extinction_coef       ?
_refine_ls_number_reflns         6854
_refine_ls_number_parameters     556
_refine_ls_number_restraints     3
_refine_ls_R_factor_all          0.0870
_refine_ls_R_factor_gt           0.0554
_refine_ls_wR_factor_ref         0.1297
_refine_ls_wR_factor_gt          0.1074
_refine_ls_goodness_of_fit_ref   0.995
_refine_ls_restrained_S_all      0.995
_refine_ls_shift/su_max          0.001
_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
Eu1 Eu 1.37965(4) 0.32025(4) -0.86667(4) 0.02519(16) Uani 1 1 d . . .
Eu2 Eu 0.96649(4) 0.22308(4) -0.52713(3) 0.02157(15) Uani 1 1 d . . .
O1 O 1.1929(6) 0.3817(6) -0.7958(5) 0.040(2) Uani 1 1 d . . .
O2 O 1.3260(6) 0.2126(6) -0.7023(5) 0.0347(19) Uani 1 1 d . . .
O3 O 1.1815(6) 0.1819(5) -0.5741(5) 0.0309(17) Uani 1 1 d . . .
O4 O 1.0432(6) 0.3445(5) -0.6802(5) 0.0325(18) Uani 1 1 d . . .
O5 O 1.5774(6) 0.2558(6) -0.8062(5) 0.0341(18) Uani 1 1 d . . .
O6 O 1.4779(6) 0.1414(6) -0.8530(5) 0.0344(18) Uani 1 1 d . . .
O7 O 1.9943(6) -0.0600(5) -0.5867(5) 0.0312(17) Uani 1 1 d . . .
O8 O 1.9361(6) 0.1179(6) -0.6238(5) 0.0334(18) Uani 1 1 d . . .
O9 O 0.8849(7) 0.2518(6) -0.3843(5) 0.040(2) Uani 1 1 d . . .
O10 O 0.8829(8) 0.4191(7) -0.3752(6) 0.062(3) Uani 1 1 d . . .
O11 O 0.4992(7) 0.3661(6) -0.0132(5) 0.039(2) Uani 1 1 d . . .
O12 O 0.5714(7) 0.5068(6) -0.1327(5) 0.0390(19) Uani 1 1 d . . .
O13 O 1.0765(8) 0.3722(7) -0.4987(6) 0.045(2) Uani 1 1 d D . .
H13A H 1.096(11) 0.304(4) -0.467(6) 0.067 Uiso 1 1 d D . .
H13B H 1.039(10) 0.398(8) -0.456(5) 0.067 Uiso 1 1 d D . .
N1 N 1.2449(8) 0.4188(8) -1.0023(6) 0.034(2) Uani 1 1 d . . .
N2 N 1.2135(8) 0.2026(8) -0.8939(7) 0.040(2) Uani 1 1 d . . .
N3 N 0.8040(7) 0.3805(7) -0.5936(6) 0.030(2) Uani 1 1 d . . .
N4 N 0.7365(7) 0.1675(7) -0.4918(6) 0.029(2) Uani 1 1 d . . .
C1 C 1.2613(11) 0.5207(9) -1.0517(8) 0.043(3) Uani 1 1 d . . .
H1 H 1.3261 0.5571 -1.0406 0.051 Uiso 1 1 calc R . .
C2 C 1.1835(12) 0.5792(11) -1.1226(10) 0.058(4) Uani 1 1 d . . .
H2 H 1.2009 0.6510 -1.1609 0.070 Uiso 1 1 calc R . .
C3 C 1.0851(11) 0.5299(12) -1.1337(11) 0.066(4) Uani 1 1 d . . .
H3 H 1.0306 0.5687 -1.1772 0.079 Uiso 1 1 calc R . .
C4 C 1.0639(11) 0.4181(11) -1.0789(9) 0.052(4) Uani 1 1 d . . .
C5 C 0.9644(13) 0.3584(14) -1.0903(11) 0.073(5) Uani 1 1 d . . .
H5 H 0.9085 0.3947 -1.1336 0.088 Uiso 1 1 calc R . .
C6 C 0.9495(13) 0.2573(14) -1.0432(11) 0.072(5) Uani 1 1 d . . .
H6 H 0.8848 0.2208 -1.0543 0.086 Uiso 1 1 calc R . .
C7 C 1.0310(11) 0.1977(11) -0.9726(10) 0.055(4) Uani 1 1 d . . .
C8 C 1.0188(13) 0.0858(12) -0.9123(12) 0.069(4) Uani 1 1 d . . .
H8 H 0.9524 0.0461 -0.9161 0.083 Uiso 1 1 calc R . .
C9 C 1.1022(12) 0.0361(11) -0.8494(11) 0.066(4) Uani 1 1 d . . .
H9 H 1.0941 -0.0374 -0.8121 0.079 Uiso 1 1 calc R . .
C10 C 1.2011(12) 0.0973(10) -0.8414(9) 0.052(3) Uani 1 1 d . . .
H10 H 1.2584 0.0633 -0.7987 0.062 Uiso 1 1 calc R . .
C11 C 1.1317(10) 0.2566(10) -0.9611(9) 0.042(3) Uani 1 1 d . . .
C12 C 1.1486(10) 0.3673(9) -1.0154(7) 0.035(3) Uani 1 1 d . . .
C13 C 1.5698(9) 0.1640(9) -0.8170(8) 0.031(3) Uani 1 1 d . . .
C14 C 1.6666(9) 0.0777(8) -0.7867(7) 0.027(2) Uani 1 1 d . . .
C15 C 1.6741(11) -0.0159(9) -0.8145(9) 0.048(3) Uani 1 1 d . . .
H15 H 1.6186 -0.0244 -0.8545 0.058 Uiso 1 1 calc R . .
C16 C 1.7621(12) -0.0956(10) -0.7839(10) 0.058(4) Uani 1 1 d . . .
H16 H 1.7712 -0.1549 -0.8072 0.070 Uiso 1 1 calc R . .
C17 C 1.8392(11) -0.0870(9) -0.7163(9) 0.046(3) Uani 1 1 d . . .
H17 H 1.8915 -0.1453 -0.6882 0.055 Uiso 1 1 calc R . .
C18 C 1.8366(9) 0.0067(8) -0.6924(8) 0.027(2) Uani 1 1 d . . .
C19 C 1.9284(9) 0.0210(8) -0.6278(7) 0.025(2) Uani 1 1 d . . .
C20 C 1.7509(9) 0.0894(8) -0.7290(7) 0.030(3) Uani 1 1 d . . .
H20 H 1.7507 0.1543 -0.7141 0.036 Uiso 1 1 calc R . .
C21 C 1.2257(9) 0.2319(8) -0.6597(8) 0.028(2) Uani 1 1 d . . .
C22 C 1.1473(9) 0.3279(8) -0.7159(7) 0.027(2) Uani 1 1 d . . .
C23 C 0.8334(11) 0.4829(9) -0.6429(8) 0.042(3) Uani 1 1 d . . .
H23 H 0.9161 0.4997 -0.6593 0.050 Uiso 1 1 calc R . .
C24 C 0.7480(11) 0.5650(10) -0.6709(9) 0.055(4) Uani 1 1 d . . .
H24 H 0.7746 0.6359 -0.7044 0.066 Uiso 1 1 calc R . .
C25 C 0.6263(12) 0.5477(11) -0.6520(9) 0.054(4) Uani 1 1 d . . .
H25 H 0.5692 0.6050 -0.6710 0.065 Uiso 1 1 calc R . .
C26 C 0.5896(10) 0.4396(9) -0.6025(9) 0.040(3) Uani 1 1 d . . .
C27 C 0.4631(10) 0.4089(11) -0.5773(10) 0.053(4) Uani 1 1 d . . .
H27 H 0.4017 0.4607 -0.6006 0.063 Uiso 1 1 calc R . .
C28 C 0.4307(10) 0.3043(10) -0.5194(10) 0.053(4) Uani 1 1 d . . .
H28 H 0.3483 0.2897 -0.4985 0.064 Uiso 1 1 calc R . .
C29 C 0.5186(9) 0.2196(9) -0.4914(8) 0.035(3) Uani 1 1 d . . .
C30 C 0.4917(10) 0.1127(10) -0.4426(9) 0.045(3) Uani 1 1 d . . .
H30 H 0.4103 0.0917 -0.4255 0.054 Uiso 1 1 calc R . .
C31 C 0.5829(10) 0.0376(10) -0.4193(8) 0.044(3) Uani 1 1 d . . .
H31 H 0.5639 -0.0350 -0.3843 0.053 Uiso 1 1 calc R . .
C32 C 0.7036(10) 0.0659(9) -0.4462(8) 0.036(3) Uani 1 1 d . . .
H32 H 0.7642 0.0110 -0.4314 0.044 Uiso 1 1 calc R . .
C33 C 0.6454(10) 0.2438(9) -0.5155(8) 0.035(3) Uani 1 1 d . . .
C34 C 0.6820(9) 0.3566(8) -0.5737(8) 0.029(2) Uani 1 1 d . . .
C35 C 0.8428(10) 0.3250(8) -0.3516(7) 0.029(2) Uani 1 1 d . . .
C36 C 0.7388(9) 0.2944(8) -0.2752(7) 0.027(2) Uani 1 1 d . . .
C37 C 0.6937(11) 0.1863(9) -0.2400(9) 0.047(3) Uani 1 1 d . . .
H37 H 0.7247 0.1365 -0.2707 0.057 Uiso 1 1 calc R . .
C38 C 0.6079(12) 0.1508(10) -0.1641(10) 0.061(4) Uani 1 1 d . . .
H38 H 0.5816 0.0785 -0.1444 0.073 Uiso 1 1 calc R . .
C39 C 0.5598(11) 0.2213(9) -0.1163(9) 0.045(3) Uani 1 1 d . . .
H39 H 0.5001 0.1980 -0.0646 0.054 Uiso 1 1 calc R . .
C40 C 0.6021(9) 0.3278(8) -0.1467(7) 0.028(2) Uani 1 1 d . . .
C41 C 0.6919(9) 0.3657(8) -0.2246(7) 0.026(2) Uani 1 1 d . . .
H41 H 0.7201 0.4373 -0.2425 0.032 Uiso 1 1 calc R . .
C42 C 0.5545(9) 0.4048(8) -0.0916(7) 0.027(2) Uani 1 1 d . . .


_geom_special_details            
; 
 All esds (except the esd in the dihedral angle between two l.s. planes) 
 are estimated using the full covariance matrix.  The cell esds are taken 
 into account individually in the estimation of esds in distances, angles 
 and torsion angles; correlations between esds in cell parameters are only 
 used when they are defined by crystal symmetry.  An approximate (isotropic) 
 treatment of cell esds is used for estimating esds 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
Eu1 O12 2.313(7) 2_764 ?
Eu1 O11 2.325(7) 1_654 ?
Eu1 O2 2.405(7) . ?
Eu1 O1 2.406(7) . ?
Eu1 O5 2.436(7) . ?
Eu1 O6 2.438(7) . ?
Eu1 N1 2.576(8) . ?
Eu1 N2 2.577(9) . ?
Eu1 C13 2.796(10) . ?
Eu1 C22 3.215(10) . ?
Eu1 C21 3.217(11) . ?
Eu2 O7 2.277(6) 2_854 ?
Eu2 O8 2.328(7) 1_455 ?
Eu2 O9 2.341(7) . ?
Eu2 O4 2.390(6) . ?
Eu2 O3 2.458(6) . ?
Eu2 O13 2.492(8) . ?
Eu2 N4 2.608(8) . ?
Eu2 N3 2.631(8) . ?
Eu2 C22 3.191(10) . ?
Eu2 C21 3.253(10) . ?
O1 C22 1.227(11) . ?
O2 C21 1.258(11) . ?
O3 C21 1.275(12) . ?
O4 C22 1.239(11) . ?
O5 C13 1.250(12) . ?
O6 C13 1.280(12) . ?
O7 C19 1.255(11) . ?
O7 Eu2 2.277(6) 2_854 ?
O8 C19 1.274(11) . ?
O8 Eu2 2.328(7) 1_655 ?
O9 C35 1.236(11) . ?
O10 C35 1.236(12) . ?
O11 C42 1.211(11) . ?
O11 Eu1 2.325(7) 1_456 ?
O12 C42 1.267(11) . ?
O12 Eu1 2.313(7) 2_764 ?
O13 H13A 0.87(2) . ?
O13 H13B 0.87(2) . ?
N1 C1 1.287(13) . ?
N1 C12 1.340(13) . ?
N2 C10 1.330(14) . ?
N2 C11 1.399(14) . ?
N3 C23 1.319(12) . ?
N3 C34 1.366(12) . ?
N4 C32 1.310(12) . ?
N4 C33 1.350(12) . ?
C1 C2 1.417(16) . ?
C1 H1 0.9300 . ?
C2 C3 1.332(18) . ?
C2 H2 0.9300 . ?
C3 C4 1.419(17) . ?
C3 H3 0.9300 . ?
C4 C12 1.380(15) . ?
C4 C5 1.424(18) . ?
C5 C6 1.269(19) . ?
C5 H5 0.9300 . ?
C6 C7 1.446(19) . ?
C6 H6 0.9300 . ?
C7 C11 1.429(16) . ?
C7 C8 1.429(18) . ?
C8 C9 1.359(18) . ?
C8 H8 0.9300 . ?
C9 C10 1.412(17) . ?
C9 H9 0.9300 . ?
C10 H10 0.9300 . ?
C11 C12 1.399(15) . ?
C13 C14 1.486(13) . ?
C14 C20 1.374(14) . ?
C14 C15 1.389(15) . ?
C15 C16 1.366(15) . ?
C15 H15 0.9300 . ?
C16 C17 1.417(16) . ?
C16 H16 0.9300 . ?
C17 C18 1.360(14) . ?
C17 H17 0.9300 . ?
C18 C20 1.389(13) . ?
C18 C19 1.522(13) . ?
C20 H20 0.9300 . ?
C21 C22 1.525(13) . ?
C23 C24 1.361(15) . ?
C23 H23 0.9300 . ?
C24 C25 1.347(16) . ?
C24 H24 0.9300 . ?
C25 C26 1.401(16) . ?
C25 H25 0.9300 . ?
C26 C34 1.423(14) . ?
C26 C27 1.438(15) . ?
C27 C28 1.380(16) . ?
C27 H27 0.9300 . ?
C28 C29 1.400(15) . ?
C28 H28 0.9300 . ?
C29 C30 1.359(14) . ?
C29 C33 1.422(14) . ?
C30 C31 1.342(15) . ?
C30 H30 0.9300 . ?
C31 C32 1.372(14) . ?
C31 H31 0.9300 . ?
C32 H32 0.9300 . ?
C33 C34 1.476(14) . ?
C35 C36 1.486(13) . ?
C36 C41 1.406(13) . ?
C36 C37 1.412(14) . ?
C37 C38 1.355(15) . ?
C37 H37 0.9300 . ?
C38 C39 1.372(16) . ?
C38 H38 0.9300 . ?
C39 C40 1.384(14) . ?
C39 H39 0.9300 . ?
C40 C41 1.405(13) . ?
C40 C42 1.515(14) . ?
C41 H41 0.9300 . ?

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
O12 Eu1 O11 84.6(3) 2_764 1_654 ?
O12 Eu1 O2 106.8(3) 2_764 . ?
O11 Eu1 O2 154.9(2) 1_654 . ?
O12 Eu1 O1 77.1(3) 2_764 . ?
O11 Eu1 O1 138.9(2) 1_654 . ?
O2 Eu1 O1 66.2(2) . . ?
O12 Eu1 O5 87.3(2) 2_764 . ?
O11 Eu1 O5 82.2(3) 1_654 . ?
O2 Eu1 O5 76.3(2) . . ?
O1 Eu1 O5 132.4(3) . . ?
O12 Eu1 O6 139.7(2) 2_764 . ?
O11 Eu1 O6 80.7(2) 1_654 . ?
O2 Eu1 O6 76.2(2) . . ?
O1 Eu1 O6 134.9(2) . . ?
O5 Eu1 O6 53.7(2) . . ?
O12 Eu1 N1 87.0(3) 2_764 . ?
O11 Eu1 N1 70.3(3) 1_654 . ?
O2 Eu1 N1 131.2(2) . . ?
O1 Eu1 N1 72.2(3) . . ?
O5 Eu1 N1 152.3(3) . . ?
O6 Eu1 N1 122.0(3) . . ?
O12 Eu1 N2 145.7(3) 2_764 . ?
O11 Eu1 N2 101.5(3) 1_654 . ?
O2 Eu1 N2 81.9(3) . . ?
O1 Eu1 N2 76.4(3) . . ?
O5 Eu1 N2 126.9(3) . . ?
O6 Eu1 N2 74.4(3) . . ?
N1 Eu1 N2 64.2(3) . . ?
O12 Eu1 C13 113.4(3) 2_764 . ?
O11 Eu1 C13 80.9(3) 1_654 . ?
O2 Eu1 C13 74.0(3) . . ?
O1 Eu1 C13 140.2(3) . . ?
O5 Eu1 C13 26.5(3) . . ?
O6 Eu1 C13 27.2(3) . . ?
N1 Eu1 C13 143.1(3) . . ?
N2 Eu1 C13 101.0(3) . . ?
O12 Eu1 C22 87.9(3) 2_764 . ?
O11 Eu1 C22 157.6(2) 1_654 . ?
O2 Eu1 C22 47.3(2) . . ?
O1 Eu1 C22 19.1(2) . . ?
O5 Eu1 C22 118.6(2) . . ?
O6 Eu1 C22 117.6(2) . . ?
N1 Eu1 C22 88.3(3) . . ?
N2 Eu1 C22 73.7(3) . . ?
C13 Eu1 C22 121.3(3) . . ?
O12 Eu1 C21 100.0(3) 2_764 . ?
O11 Eu1 C21 174.2(3) 1_654 . ?
O2 Eu1 C21 19.9(2) . . ?
O1 Eu1 C21 46.4(2) . . ?
O5 Eu1 C21 94.4(2) . . ?
O6 Eu1 C21 93.5(3) . . ?
N1 Eu1 C21 113.3(3) . . ?
N2 Eu1 C21 76.8(3) . . ?
C13 Eu1 C21 93.9(3) . . ?
C22 Eu1 C21 27.4(2) . . ?
O7 Eu2 O8 85.9(2) 2_854 1_455 ?
O7 Eu2 O9 76.7(3) 2_854 . ?
O8 Eu2 O9 140.8(3) 1_455 . ?
O7 Eu2 O4 143.0(2) 2_854 . ?
O8 Eu2 O4 79.7(2) 1_455 . ?
O9 Eu2 O4 133.1(2) . . ?
O7 Eu2 O3 77.1(2) 2_854 . ?
O8 Eu2 O3 80.3(2) 1_455 . ?
O9 Eu2 O3 127.7(3) . . ?
O4 Eu2 O3 67.1(2) . . ?
O7 Eu2 O13 109.2(3) 2_854 . ?
O8 Eu2 O13 149.9(2) 1_455 . ?
O9 Eu2 O13 69.2(3) . . ?
O4 Eu2 O13 72.7(3) . . ?
O3 Eu2 O13 78.1(3) . . ?
O7 Eu2 N4 86.4(2) 2_854 . ?
O8 Eu2 N4 73.3(3) 1_455 . ?
O9 Eu2 N4 70.9(3) . . ?
O4 Eu2 N4 120.8(3) . . ?
O3 Eu2 N4 149.7(3) . . ?
O13 Eu2 N4 131.8(3) . . ?
O7 Eu2 N3 146.7(2) 2_854 . ?
O8 Eu2 N3 97.6(3) 1_455 . ?
O9 Eu2 N3 80.1(3) . . ?
O4 Eu2 N3 69.5(2) . . ?
O3 Eu2 N3 136.2(2) . . ?
O13 Eu2 N3 83.9(3) . . ?
N4 Eu2 N3 63.5(3) . . ?
O7 Eu2 C22 123.5(2) 2_854 . ?
O8 Eu2 C22 76.4(3) 1_455 . ?
O9 Eu2 C22 142.1(3) . . ?
O4 Eu2 C22 19.7(2) . . ?
O3 Eu2 C22 47.4(2) . . ?
O13 Eu2 C22 73.6(3) . . ?
N4 Eu2 C22 135.2(3) . . ?
N3 Eu2 C22 89.2(2) . . ?
O7 Eu2 C21 96.4(2) 2_854 . ?
O8 Eu2 C21 75.2(2) 1_455 . ?
O9 Eu2 C21 140.8(3) . . ?
O4 Eu2 C21 47.1(2) . . ?
O3 Eu2 C21 20.3(2) . . ?
O13 Eu2 C21 77.3(3) . . ?
N4 Eu2 C21 148.1(3) . . ?
N3 Eu2 C21 116.5(3) . . ?
C22 Eu2 C21 27.4(2) . . ?
C22 O1 Eu1 121.0(6) . . ?
C21 O2 Eu1 119.5(6) . . ?
C21 O3 Eu2 117.7(6) . . ?
C22 O4 Eu2 119.7(6) . . ?
C13 O5 Eu1 93.0(6) . . ?
C13 O6 Eu1 92.2(6) . . ?
C19 O7 Eu2 154.9(6) . 2_854 ?
C19 O8 Eu2 145.7(6) . 1_655 ?
C35 O9 Eu2 142.0(7) . . ?
C42 O11 Eu1 170.7(7) . 1_456 ?
C42 O12 Eu1 152.4(7) . 2_764 ?
Eu2 O13 H13A 62(9) . . ?
Eu2 O13 H13B 115(8) . . ?
H13A O13 H13B 105(3) . . ?
C1 N1 C12 119.2(10) . . ?
C1 N1 Eu1 120.7(8) . . ?
C12 N1 Eu1 119.8(7) . . ?
C10 N2 C11 121.7(10) . . ?
C10 N2 Eu1 121.2(8) . . ?
C11 N2 Eu1 117.0(7) . . ?
C23 N3 C34 117.7(9) . . ?
C23 N3 Eu2 123.6(7) . . ?
C34 N3 Eu2 118.7(6) . . ?
C32 N4 C33 116.9(9) . . ?
C32 N4 Eu2 121.9(7) . . ?
C33 N4 Eu2 121.1(7) . . ?
N1 C1 C2 122.0(12) . . ?
N1 C1 H1 119.0 . . ?
C2 C1 H1 119.0 . . ?
C3 C2 C1 119.2(12) . . ?
C3 C2 H2 120.4 . . ?
C1 C2 H2 120.4 . . ?
C2 C3 C4 119.7(12) . . ?
C2 C3 H3 120.1 . . ?
C4 C3 H3 120.1 . . ?
C12 C4 C3 116.3(12) . . ?
C12 C4 C5 120.7(13) . . ?
C3 C4 C5 122.9(12) . . ?
C6 C5 C4 122.0(14) . . ?
C6 C5 H5 119.0 . . ?
C4 C5 H5 119.0 . . ?
C5 C6 C7 121.5(14) . . ?
C5 C6 H6 119.3 . . ?
C7 C6 H6 119.3 . . ?
C11 C7 C8 117.0(12) . . ?
C11 C7 C6 117.0(13) . . ?
C8 C7 C6 126.0(13) . . ?
C9 C8 C7 121.6(13) . . ?
C9 C8 H8 119.2 . . ?
C7 C8 H8 119.2 . . ?
C8 C9 C10 119.3(13) . . ?
C8 C9 H9 120.3 . . ?
C10 C9 H9 120.3 . . ?
N2 C10 C9 121.0(12) . . ?
N2 C10 H10 119.5 . . ?
C9 C10 H10 119.5 . . ?
N2 C11 C12 119.9(10) . . ?
N2 C11 C7 119.3(12) . . ?
C12 C11 C7 120.9(11) . . ?
N1 C12 C4 123.4(11) . . ?
N1 C12 C11 118.6(10) . . ?
C4 C12 C11 118.0(11) . . ?
O5 C13 O6 121.1(9) . . ?
O5 C13 C14 120.5(10) . . ?
O6 C13 C14 118.4(10) . . ?
O5 C13 Eu1 60.5(5) . . ?
O6 C13 Eu1 60.6(5) . . ?
C14 C13 Eu1 177.2(7) . . ?
C20 C14 C15 118.6(10) . . ?
C20 C14 C13 119.7(10) . . ?
C15 C14 C13 121.8(10) . . ?
C16 C15 C14 120.8(11) . . ?
C16 C15 H15 119.6 . . ?
C14 C15 H15 119.6 . . ?
C15 C16 C17 119.3(11) . . ?
C15 C16 H16 120.4 . . ?
C17 C16 H16 120.4 . . ?
C18 C17 C16 119.9(10) . . ?
C18 C17 H17 120.0 . . ?
C16 C17 H17 120.0 . . ?
C17 C18 C20 119.2(10) . . ?
C17 C18 C19 120.0(9) . . ?
C20 C18 C19 120.8(9) . . ?
O7 C19 O8 124.9(10) . . ?
O7 C19 C18 119.0(9) . . ?
O8 C19 C18 116.0(8) . . ?
C14 C20 C18 121.6(10) . . ?
C14 C20 H20 119.2 . . ?
C18 C20 H20 119.2 . . ?
O2 C21 O3 128.0(10) . . ?
O2 C21 C22 116.7(9) . . ?
O3 C21 C22 115.3(9) . . ?
O2 C21 Eu1 40.6(5) . . ?
O3 C21 Eu1 168.5(7) . . ?
C22 C21 Eu1 76.2(6) . . ?
O2 C21 Eu2 167.3(7) . . ?
O3 C21 Eu2 42.0(4) . . ?
C22 C21 Eu2 74.1(5) . . ?
Eu1 C21 Eu2 148.9(3) . . ?
O1 C22 O4 124.9(9) . . ?
O1 C22 C21 115.9(9) . . ?
O4 C22 C21 119.2(8) . . ?
O1 C22 Eu2 165.3(7) . . ?
O4 C22 Eu2 40.6(4) . . ?
C21 C22 Eu2 78.6(5) . . ?
O1 C22 Eu1 39.9(5) . . ?
O4 C22 Eu1 162.8(7) . . ?
C21 C22 Eu1 76.4(5) . . ?
Eu2 C22 Eu1 153.4(3) . . ?
N3 C23 C24 122.8(11) . . ?
N3 C23 H23 118.6 . . ?
C24 C23 H23 118.6 . . ?
C25 C24 C23 122.7(12) . . ?
C25 C24 H24 118.7 . . ?
C23 C24 H24 118.7 . . ?
C24 C25 C26 117.0(11) . . ?
C24 C25 H25 121.5 . . ?
C26 C25 H25 121.5 . . ?
C25 C26 C34 118.4(10) . . ?
C25 C26 C27 123.2(11) . . ?
C34 C26 C27 118.3(10) . . ?
C28 C27 C26 121.4(10) . . ?
C28 C27 H27 119.3 . . ?
C26 C27 H27 119.3 . . ?
C27 C28 C29 121.8(10) . . ?
C27 C28 H28 119.1 . . ?
C29 C28 H28 119.1 . . ?
C30 C29 C28 124.5(10) . . ?
C30 C29 C33 116.1(10) . . ?
C28 C29 C33 119.4(10) . . ?
C31 C30 C29 119.9(10) . . ?
C31 C30 H30 120.1 . . ?
C29 C30 H30 120.1 . . ?
C30 C31 C32 121.2(11) . . ?
C30 C31 H31 119.4 . . ?
C32 C31 H31 119.4 . . ?
N4 C32 C31 122.3(11) . . ?
N4 C32 H32 118.8 . . ?
C31 C32 H32 118.8 . . ?
N4 C33 C29 123.5(10) . . ?
N4 C33 C34 116.9(9) . . ?
C29 C33 C34 119.4(10) . . ?
N3 C34 C26 121.3(9) . . ?
N3 C34 C33 119.2(9) . . ?
C26 C34 C33 119.3(9) . . ?
O9 C35 O10 125.2(10) . . ?
O9 C35 C36 116.5(9) . . ?
O10 C35 C36 118.2(9) . . ?
C41 C36 C37 115.9(10) . . ?
C41 C36 C35 122.1(9) . . ?
C37 C36 C35 121.4(9) . . ?
C38 C37 C36 124.0(11) . . ?
C38 C37 H37 118.0 . . ?
C36 C37 H37 118.0 . . ?
C37 C38 C39 120.0(11) . . ?
C37 C38 H38 120.0 . . ?
C39 C38 H38 120.0 . . ?
C38 C39 C40 118.5(11) . . ?
C38 C39 H39 120.7 . . ?
C40 C39 H39 120.7 . . ?
C39 C40 C41 122.2(10) . . ?
C39 C40 C42 119.1(9) . . ?
C41 C40 C42 118.6(9) . . ?
C40 C41 C36 119.3(9) . . ?
C40 C41 H41 120.4 . . ?
C36 C41 H41 120.4 . . ?
O11 C42 O12 124.3(10) . . ?
O11 C42 C40 118.4(9) . . ?
O12 C42 C40 117.2(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
O12 Eu1 O1 C22 -123.0(9) 2_764 . . . ?
O11 Eu1 O1 C22 171.1(8) 1_654 . . . ?
O2 Eu1 O1 C22 -7.8(8) . . . . ?
O5 Eu1 O1 C22 -48.9(10) . . . . ?
O6 Eu1 O1 C22 28.3(10) . . . . ?
N1 Eu1 O1 C22 146.0(9) . . . . ?
N2 Eu1 O1 C22 79.2(9) . . . . ?
C13 Eu1 O1 C22 -11.8(11) . . . . ?
C21 Eu1 O1 C22 -5.4(8) . . . . ?
O12 Eu1 O2 C21 72.3(8) 2_764 . . . ?
O11 Eu1 O2 C21 -173.3(7) 1_654 . . . ?
O1 Eu1 O2 C21 5.1(7) . . . . ?
O5 Eu1 O2 C21 155.1(8) . . . . ?
O6 Eu1 O2 C21 -149.5(8) . . . . ?
N1 Eu1 O2 C21 -28.8(9) . . . . ?
N2 Eu1 O2 C21 -73.6(8) . . . . ?
C13 Eu1 O2 C21 -177.6(8) . . . . ?
C22 Eu1 O2 C21 1.6(7) . . . . ?
O7 Eu2 O3 C21 161.4(8) 2_854 . . . ?
O8 Eu2 O3 C21 73.4(7) 1_455 . . . ?
O9 Eu2 O3 C21 -137.0(7) . . . . ?
O4 Eu2 O3 C21 -9.4(7) . . . . ?
O13 Eu2 O3 C21 -85.4(7) . . . . ?
N4 Eu2 O3 C21 102.9(8) . . . . ?
N3 Eu2 O3 C21 -17.6(9) . . . . ?
C22 Eu2 O3 C21 -6.9(7) . . . . ?
O7 Eu2 O4 C22 -9.5(10) 2_854 . . . ?
O8 Eu2 O4 C22 -78.3(8) 1_455 . . . ?
O9 Eu2 O4 C22 126.4(8) . . . . ?
O3 Eu2 O4 C22 5.5(7) . . . . ?
O13 Eu2 O4 C22 89.6(8) . . . . ?
N4 Eu2 O4 C22 -141.6(7) . . . . ?
N3 Eu2 O4 C22 179.4(8) . . . . ?
C21 Eu2 O4 C22 1.0(7) . . . . ?
O12 Eu1 O5 C13 -170.2(6) 2_764 . . . ?
O11 Eu1 O5 C13 -85.3(6) 1_654 . . . ?
O2 Eu1 O5 C13 81.7(6) . . . . ?
O1 Eu1 O5 C13 120.0(6) . . . . ?
O6 Eu1 O5 C13 -1.1(6) . . . . ?
N1 Eu1 O5 C13 -91.9(8) . . . . ?
N2 Eu1 O5 C13 13.2(7) . . . . ?
C22 Eu1 O5 C13 103.7(6) . . . . ?
C21 Eu1 O5 C13 90.0(6) . . . . ?
O12 Eu1 O6 C13 18.0(8) 2_764 . . . ?
O11 Eu1 O6 C13 88.1(6) 1_654 . . . ?
O2 Eu1 O6 C13 -81.8(6) . . . . ?
O1 Eu1 O6 C13 -115.6(6) . . . . ?
O5 Eu1 O6 C13 1.1(5) . . . . ?
N1 Eu1 O6 C13 147.9(6) . . . . ?
N2 Eu1 O6 C13 -167.1(6) . . . . ?
C22 Eu1 O6 C13 -105.5(6) . . . . ?
C21 Eu1 O6 C13 -91.8(6) . . . . ?
O7 Eu2 O9 C35 169.4(13) 2_854 . . . ?
O8 Eu2 O9 C35 -124.5(12) 1_455 . . . ?
O4 Eu2 O9 C35 14.9(14) . . . . ?
O3 Eu2 O9 C35 107.7(12) . . . . ?
O13 Eu2 O9 C35 52.6(12) . . . . ?
N4 Eu2 O9 C35 -99.8(13) . . . . ?
N3 Eu2 O9 C35 -34.5(12) . . . . ?
C22 Eu2 O9 C35 41.1(14) . . . . ?
C21 Eu2 O9 C35 85.7(13) . . . . ?
O12 Eu1 N1 C1 18.9(8) 2_764 . . . ?
O11 Eu1 N1 C1 -66.4(8) 1_654 . . . ?
O2 Eu1 N1 C1 128.8(8) . . . . ?
O1 Eu1 N1 C1 96.4(9) . . . . ?
O5 Eu1 N1 C1 -59.4(11) . . . . ?
O6 Eu1 N1 C1 -131.3(8) . . . . ?
N2 Eu1 N1 C1 179.6(9) . . . . ?
C13 Eu1 N1 C1 -107.4(9) . . . . ?
C22 Eu1 N1 C1 106.9(9) . . . . ?
C21 Eu1 N1 C1 118.5(8) . . . . ?
O12 Eu1 N1 C12 -154.1(8) 2_764 . . . ?
O11 Eu1 N1 C12 120.6(8) 1_654 . . . ?
O2 Eu1 N1 C12 -44.3(9) . . . . ?
O1 Eu1 N1 C12 -76.7(8) . . . . ?
O5 Eu1 N1 C12 127.5(8) . . . . ?
O6 Eu1 N1 C12 55.7(9) . . . . ?
N2 Eu1 N1 C12 6.5(8) . . . . ?
C13 Eu1 N1 C12 79.6(9) . . . . ?
C22 Eu1 N1 C12 -66.1(8) . . . . ?
C21 Eu1 N1 C12 -54.5(9) . . . . ?
O12 Eu1 N2 C10 -145.1(8) 2_764 . . . ?
O11 Eu1 N2 C10 117.6(9) 1_654 . . . ?
O2 Eu1 N2 C10 -37.1(9) . . . . ?
O1 Eu1 N2 C10 -104.5(9) . . . . ?
O5 Eu1 N2 C10 28.8(10) . . . . ?
O6 Eu1 N2 C10 40.8(9) . . . . ?
N1 Eu1 N2 C10 179.0(10) . . . . ?
C13 Eu1 N2 C10 34.8(9) . . . . ?
C22 Eu1 N2 C10 -84.9(9) . . . . ?
C21 Eu1 N2 C10 -56.7(9) . . . . ?
O12 Eu1 N2 C11 30.2(11) 2_764 . . . ?
O11 Eu1 N2 C11 -67.1(8) 1_654 . . . ?
O2 Eu1 N2 C11 138.2(8) . . . . ?
O1 Eu1 N2 C11 70.8(8) . . . . ?
O5 Eu1 N2 C11 -155.8(7) . . . . ?
O6 Eu1 N2 C11 -143.9(8) . . . . ?
N1 Eu1 N2 C11 -5.7(7) . . . . ?
C13 Eu1 N2 C11 -149.9(8) . . . . ?
C22 Eu1 N2 C11 90.4(8) . . . . ?
C21 Eu1 N2 C11 118.6(8) . . . . ?
O7 Eu2 N3 C23 153.1(8) 2_854 . . . ?
O8 Eu2 N3 C23 -112.7(9) 1_455 . . . ?
O9 Eu2 N3 C23 106.9(9) . . . . ?
O4 Eu2 N3 C23 -36.8(9) . . . . ?
O3 Eu2 N3 C23 -28.7(11) . . . . ?
O13 Eu2 N3 C23 37.0(9) . . . . ?
N4 Eu2 N3 C23 -179.6(10) . . . . ?
C22 Eu2 N3 C23 -36.6(9) . . . . ?
C21 Eu2 N3 C23 -35.4(10) . . . . ?
O7 Eu2 N3 C34 -24.6(11) 2_854 . . . ?
O8 Eu2 N3 C34 69.6(8) 1_455 . . . ?
O9 Eu2 N3 C34 -70.8(8) . . . . ?
O4 Eu2 N3 C34 145.5(8) . . . . ?
O3 Eu2 N3 C34 153.6(7) . . . . ?
O13 Eu2 N3 C34 -140.7(8) . . . . ?
N4 Eu2 N3 C34 2.6(7) . . . . ?
C22 Eu2 N3 C34 145.7(8) . . . . ?
C21 Eu2 N3 C34 146.8(7) . . . . ?
O7 Eu2 N4 C32 -16.8(8) 2_854 . . . ?
O8 Eu2 N4 C32 70.0(8) 1_455 . . . ?
O9 Eu2 N4 C32 -94.0(9) . . . . ?
O4 Eu2 N4 C32 136.6(8) . . . . ?
O3 Eu2 N4 C32 39.6(11) . . . . ?
O13 Eu2 N4 C32 -129.4(8) . . . . ?
N3 Eu2 N4 C32 177.8(9) . . . . ?
C22 Eu2 N4 C32 119.3(8) . . . . ?
C21 Eu2 N4 C32 79.4(10) . . . . ?
O7 Eu2 N4 C33 159.7(8) 2_854 . . . ?
O8 Eu2 N4 C33 -113.5(8) 1_455 . . . ?
O9 Eu2 N4 C33 82.5(8) . . . . ?
O4 Eu2 N4 C33 -46.9(9) . . . . ?
O3 Eu2 N4 C33 -143.9(7) . . . . ?
O13 Eu2 N4 C33 47.1(9) . . . . ?
N3 Eu2 N4 C33 -5.7(7) . . . . ?
C22 Eu2 N4 C33 -64.2(9) . . . . ?
C21 Eu2 N4 C33 -104.1(8) . . . . ?
C12 N1 C1 C2 -2.7(18) . . . . ?
Eu1 N1 C1 C2 -175.8(9) . . . . ?
N1 C1 C2 C3 5(2) . . . . ?
C1 C2 C3 C4 -4(2) . . . . ?
C2 C3 C4 C12 1(2) . . . . ?
C2 C3 C4 C5 -176.7(15) . . . . ?
C12 C4 C5 C6 0(2) . . . . ?
C3 C4 C5 C6 177.3(16) . . . . ?
C4 C5 C6 C7 2(3) . . . . ?
C5 C6 C7 C11 -2(2) . . . . ?
C5 C6 C7 C8 176.5(16) . . . . ?
C11 C7 C8 C9 -3(2) . . . . ?
C6 C7 C8 C9 178.4(15) . . . . ?
C7 C8 C9 C10 2(2) . . . . ?
C11 N2 C10 C9 -1.8(19) . . . . ?
Eu1 N2 C10 C9 173.3(10) . . . . ?
C8 C9 C10 N2 0(2) . . . . ?
C10 N2 C11 C12 -179.6(11) . . . . ?
Eu1 N2 C11 C12 5.1(14) . . . . ?
C10 N2 C11 C7 1.1(17) . . . . ?
Eu1 N2 C11 C7 -174.3(9) . . . . ?
C8 C7 C11 N2 1.1(18) . . . . ?
C6 C7 C11 N2 -179.8(12) . . . . ?
C8 C7 C11 C12 -178.3(12) . . . . ?
C6 C7 C11 C12 0.8(19) . . . . ?
C1 N1 C12 C4 -0.7(17) . . . . ?
Eu1 N1 C12 C4 172.4(9) . . . . ?
C1 N1 C12 C11 -179.9(11) . . . . ?
Eu1 N1 C12 C11 -6.8(14) . . . . ?
C3 C4 C12 N1 1.7(19) . . . . ?
C5 C4 C12 N1 179.2(12) . . . . ?
C3 C4 C12 C11 -179.1(12) . . . . ?
C5 C4 C12 C11 -1.6(19) . . . . ?
N2 C11 C12 N1 1.0(17) . . . . ?
C7 C11 C12 N1 -179.6(11) . . . . ?
N2 C11 C12 C4 -178.3(11) . . . . ?
C7 C11 C12 C4 1.1(18) . . . . ?
Eu1 O5 C13 O6 2.0(10) . . . . ?
Eu1 O5 C13 C14 -177.0(8) . . . . ?
Eu1 O6 C13 O5 -2.0(10) . . . . ?
Eu1 O6 C13 C14 177.0(8) . . . . ?
O12 Eu1 C13 O5 10.6(7) 2_764 . . . ?
O11 Eu1 C13 O5 90.7(6) 1_654 . . . ?
O2 Eu1 C13 O5 -91.1(6) . . . . ?
O1 Eu1 C13 O5 -87.4(7) . . . . ?
O6 Eu1 C13 O5 178.1(10) . . . . ?
N1 Eu1 C13 O5 129.4(6) . . . . ?
N2 Eu1 C13 O5 -169.3(6) . . . . ?
C22 Eu1 C13 O5 -91.9(6) . . . . ?
C21 Eu1 C13 O5 -92.0(6) . . . . ?
O12 Eu1 C13 O6 -167.4(5) 2_764 . . . ?
O11 Eu1 C13 O6 -87.4(6) 1_654 . . . ?
O2 Eu1 C13 O6 90.8(6) . . . . ?
O1 Eu1 C13 O6 94.6(7) . . . . ?
O5 Eu1 C13 O6 -178.1(10) . . . . ?
N1 Eu1 C13 O6 -48.6(8) . . . . ?
N2 Eu1 C13 O6 12.7(6) . . . . ?
C22 Eu1 C13 O6 90.1(6) . . . . ?
C21 Eu1 C13 O6 90.0(6) . . . . ?
O12 Eu1 C13 C14 123(17) 2_764 . . . ?
O11 Eu1 C13 C14 -157(17) 1_654 . . . ?
O2 Eu1 C13 C14 21(17) . . . . ?
O1 Eu1 C13 C14 25(18) . . . . ?
O5 Eu1 C13 C14 112(17) . . . . ?
O6 Eu1 C13 C14 -70(17) . . . . ?
N1 Eu1 C13 C14 -118(17) . . . . ?
N2 Eu1 C13 C14 -57(17) . . . . ?
C22 Eu1 C13 C14 20(17) . . . . ?
C21 Eu1 C13 C14 20(17) . . . . ?
O5 C13 C14 C20 13.6(15) . . . . ?
O6 C13 C14 C20 -165.4(9) . . . . ?
Eu1 C13 C14 C20 -97(17) . . . . ?
O5 C13 C14 C15 -166.9(10) . . . . ?
O6 C13 C14 C15 14.1(15) . . . . ?
Eu1 C13 C14 C15 82(17) . . . . ?
C20 C14 C15 C16 1.2(18) . . . . ?
C13 C14 C15 C16 -178.4(11) . . . . ?
C14 C15 C16 C17 6(2) . . . . ?
C15 C16 C17 C18 -9(2) . . . . ?
C16 C17 C18 C20 5.2(18) . . . . ?
C16 C17 C18 C19 -173.7(11) . . . . ?
Eu2 O7 C19 O8 106.5(17) 2_854 . . . ?
Eu2 O7 C19 C18 -77.2(18) 2_854 . . . ?
Eu2 O8 C19 O7 -39.1(17) 1_655 . . . ?
Eu2 O8 C19 C18 144.6(9) 1_655 . . . ?
C17 C18 C19 O7 -9.8(15) . . . . ?
C20 C18 C19 O7 171.4(9) . . . . ?
C17 C18 C19 O8 166.8(10) . . . . ?
C20 C18 C19 O8 -12.0(14) . . . . ?
C15 C14 C20 C18 -5.0(15) . . . . ?
C13 C14 C20 C18 174.5(9) . . . . ?
C17 C18 C20 C14 1.7(16) . . . . ?
C19 C18 C20 C14 -179.4(9) . . . . ?
Eu1 O2 C21 O3 178.3(8) . . . . ?
Eu1 O2 C21 C22 -2.8(12) . . . . ?
Eu1 O2 C21 Eu2 144(3) . . . . ?
Eu2 O3 C21 O2 -169.2(8) . . . . ?
Eu2 O3 C21 C22 11.8(12) . . . . ?
Eu2 O3 C21 Eu1 -164(3) . . . . ?
O12 Eu1 C21 O2 -112.2(8) 2_764 . . . ?
O11 Eu1 C21 O2 29(3) 1_654 . . . ?
O1 Eu1 C21 O2 -173.6(9) . . . . ?
O5 Eu1 C21 O2 -24.2(8) . . . . ?
O6 Eu1 C21 O2 29.6(8) . . . . ?
N1 Eu1 C21 O2 156.7(7) . . . . ?
N2 Eu1 C21 O2 102.7(8) . . . . ?
C13 Eu1 C21 O2 2.3(8) . . . . ?
C22 Eu1 C21 O2 -177.5(11) . . . . ?
O12 Eu1 C21 O3 -119(4) 2_764 . . . ?
O11 Eu1 C21 O3 22(6) 1_654 . . . ?
O2 Eu1 C21 O3 -7(3) . . . . ?
O1 Eu1 C21 O3 179(4) . . . . ?
O5 Eu1 C21 O3 -31(4) . . . . ?
O6 Eu1 C21 O3 23(4) . . . . ?
N1 Eu1 C21 O3 150(4) . . . . ?
N2 Eu1 C21 O3 96(4) . . . . ?
C13 Eu1 C21 O3 -5(4) . . . . ?
C22 Eu1 C21 O3 176(4) . . . . ?
O12 Eu1 C21 C22 65.2(6) 2_764 . . . ?
O11 Eu1 C21 C22 -153(2) 1_654 . . . ?
O2 Eu1 C21 C22 177.5(11) . . . . ?
O1 Eu1 C21 C22 3.9(5) . . . . ?
O5 Eu1 C21 C22 153.2(6) . . . . ?
O6 Eu1 C21 C22 -152.9(6) . . . . ?
N1 Eu1 C21 C22 -25.8(7) . . . . ?
N2 Eu1 C21 C22 -79.8(6) . . . . ?
C13 Eu1 C21 C22 179.8(6) . . . . ?
O12 Eu1 C21 Eu2 82.4(7) 2_764 . . . ?
O11 Eu1 C21 Eu2 -136(2) 1_654 . . . ?
O2 Eu1 C21 Eu2 -165.3(13) . . . . ?
O1 Eu1 C21 Eu2 21.1(6) . . . . ?
O5 Eu1 C21 Eu2 170.4(7) . . . . ?
O6 Eu1 C21 Eu2 -135.7(7) . . . . ?
N1 Eu1 C21 Eu2 -8.6(8) . . . . ?
N2 Eu1 C21 Eu2 -62.6(7) . . . . ?
C13 Eu1 C21 Eu2 -163.0(7) . . . . ?
C22 Eu1 C21 Eu2 17.2(5) . . . . ?
O7 Eu2 C21 O2 24(3) 2_854 . . . ?
O8 Eu2 C21 O2 -60(3) 1_455 . . . ?
O9 Eu2 C21 O2 101(3) . . . . ?
O4 Eu2 C21 O2 -150(4) . . . . ?
O3 Eu2 C21 O2 42(3) . . . . ?
O13 Eu2 C21 O2 132(3) . . . . ?
N4 Eu2 C21 O2 -69(4) . . . . ?
N3 Eu2 C21 O2 -151(3) . . . . ?
C22 Eu2 C21 O2 -149(4) . . . . ?
O7 Eu2 C21 O3 -18.2(7) 2_854 . . . ?
O8 Eu2 C21 O3 -102.3(7) 1_455 . . . ?
O9 Eu2 C21 O3 58.6(9) . . . . ?
O4 Eu2 C21 O3 168.2(9) . . . . ?
O13 Eu2 C21 O3 90.1(7) . . . . ?
N4 Eu2 C21 O3 -111.6(8) . . . . ?
N3 Eu2 C21 O3 166.5(7) . . . . ?
C22 Eu2 C21 O3 168.9(11) . . . . ?
O7 Eu2 C21 C22 172.9(6) 2_854 . . . ?
O8 Eu2 C21 C22 88.8(6) 1_455 . . . ?
O9 Eu2 C21 C22 -110.3(6) . . . . ?
O4 Eu2 C21 C22 -0.8(5) . . . . ?
O3 Eu2 C21 C22 -168.9(11) . . . . ?
O13 Eu2 C21 C22 -78.8(6) . . . . ?
N4 Eu2 C21 C22 79.5(7) . . . . ?
N3 Eu2 C21 C22 -2.4(7) . . . . ?
O7 Eu2 C21 Eu1 155.5(7) 2_854 . . . ?
O8 Eu2 C21 Eu1 71.4(7) 1_455 . . . ?
O9 Eu2 C21 Eu1 -127.7(6) . . . . ?
O4 Eu2 C21 Eu1 -18.1(6) . . . . ?
O3 Eu2 C21 Eu1 173.7(13) . . . . ?
O13 Eu2 C21 Eu1 -96.2(7) . . . . ?
N4 Eu2 C21 Eu1 62.1(9) . . . . ?
N3 Eu2 C21 Eu1 -19.8(8) . . . . ?
C22 Eu2 C21 Eu1 -17.4(5) . . . . ?
Eu1 O1 C22 O4 -168.8(8) . . . . ?
Eu1 O1 C22 C21 9.3(13) . . . . ?
Eu1 O1 C22 Eu2 -159(3) . . . . ?
Eu2 O4 C22 O1 176.2(9) . . . . ?
Eu2 O4 C22 C21 -1.8(13) . . . . ?
Eu2 O4 C22 Eu1 151(2) . . . . ?
O2 C21 C22 O1 -4.3(15) . . . . ?
O3 C21 C22 O1 174.9(9) . . . . ?
Eu1 C21 C22 O1 -6.1(9) . . . . ?
Eu2 C21 C22 O1 -177.0(10) . . . . ?
O2 C21 C22 O4 173.9(9) . . . . ?
O3 C21 C22 O4 -7.0(15) . . . . ?
Eu1 C21 C22 O4 172.1(10) . . . . ?
Eu2 C21 C22 O4 1.2(9) . . . . ?
O2 C21 C22 Eu2 172.7(9) . . . . ?
O3 C21 C22 Eu2 -8.2(8) . . . . ?
Eu1 C21 C22 Eu2 170.8(3) . . . . ?
O2 C21 C22 Eu1 1.8(8) . . . . ?
O3 C21 C22 Eu1 -179.0(9) . . . . ?
Eu2 C21 C22 Eu1 -170.8(3) . . . . ?
O7 Eu2 C22 O1 161(3) 2_854 . . . ?
O8 Eu2 C22 O1 85(3) 1_455 . . . ?
O9 Eu2 C22 O1 -86(3) . . . . ?
O4 Eu2 C22 O1 -12(3) . . . . ?
O3 Eu2 C22 O1 174(3) . . . . ?
O13 Eu2 C22 O1 -97(3) . . . . ?
N4 Eu2 C22 O1 37(3) . . . . ?
N3 Eu2 C22 O1 -13(3) . . . . ?
C21 Eu2 C22 O1 169(4) . . . . ?
O7 Eu2 C22 O4 173.1(7) 2_854 . . . ?
O8 Eu2 C22 O4 97.5(8) 1_455 . . . ?
O9 Eu2 C22 O4 -73.2(9) . . . . ?
O3 Eu2 C22 O4 -173.2(9) . . . . ?
O13 Eu2 C22 O4 -84.4(8) . . . . ?
N4 Eu2 C22 O4 49.2(9) . . . . ?
N3 Eu2 C22 O4 -0.5(8) . . . . ?
C21 Eu2 C22 O4 -178.4(11) . . . . ?
O7 Eu2 C22 C21 -8.5(7) 2_854 . . . ?
O8 Eu2 C22 C21 -84.1(6) 1_455 . . . ?
O9 Eu2 C22 C21 105.2(6) . . . . ?
O4 Eu2 C22 C21 178.4(11) . . . . ?
O3 Eu2 C22 C21 5.2(5) . . . . ?
O13 Eu2 C22 C21 94.0(6) . . . . ?
N4 Eu2 C22 C21 -132.5(6) . . . . ?
N3 Eu2 C22 C21 177.8(6) . . . . ?
O7 Eu2 C22 Eu1 11.7(10) 2_854 . . . ?
O8 Eu2 C22 Eu1 -64.0(8) 1_455 . . . ?
O9 Eu2 C22 Eu1 125.3(8) . . . . ?
O4 Eu2 C22 Eu1 -161.5(14) . . . . ?
O3 Eu2 C22 Eu1 25.4(7) . . . . ?
O13 Eu2 C22 Eu1 114.2(8) . . . . ?
N4 Eu2 C22 Eu1 -112.3(8) . . . . ?
N3 Eu2 C22 Eu1 -162.0(8) . . . . ?
C21 Eu2 C22 Eu1 20.2(6) . . . . ?
O12 Eu1 C22 O1 54.9(9) 2_764 . . . ?
O11 Eu1 C22 O1 -15.4(13) 1_654 . . . ?
O2 Eu1 C22 O1 170.2(10) . . . . ?
O5 Eu1 C22 O1 140.7(8) . . . . ?
O6 Eu1 C22 O1 -157.7(8) . . . . ?
N1 Eu1 C22 O1 -32.2(9) . . . . ?
N2 Eu1 C22 O1 -95.8(9) . . . . ?
C13 Eu1 C22 O1 171.2(8) . . . . ?
C21 Eu1 C22 O1 171.4(12) . . . . ?
O12 Eu1 C22 O4 88(2) 2_764 . . . ?
O11 Eu1 C22 O4 17(3) 1_654 . . . ?
O2 Eu1 C22 O4 -157(3) . . . . ?
O1 Eu1 C22 O4 33(2) . . . . ?
O5 Eu1 C22 O4 173(2) . . . . ?
O6 Eu1 C22 O4 -125(2) . . . . ?
N1 Eu1 C22 O4 0(2) . . . . ?
N2 Eu1 C22 O4 -63(2) . . . . ?
C13 Eu1 C22 O4 -156(2) . . . . ?
C21 Eu1 C22 O4 -156(3) . . . . ?
O12 Eu1 C22 C21 -116.5(6) 2_764 . . . ?
O11 Eu1 C22 C21 173.1(7) 1_654 . . . ?
O2 Eu1 C22 C21 -1.2(5) . . . . ?
O1 Eu1 C22 C21 -171.4(12) . . . . ?
O5 Eu1 C22 C21 -30.8(6) . . . . ?
O6 Eu1 C22 C21 30.8(6) . . . . ?
N1 Eu1 C22 C21 156.4(6) . . . . ?
N2 Eu1 C22 C21 92.8(6) . . . . ?
C13 Eu1 C22 C21 -0.2(7) . . . . ?
O12 Eu1 C22 Eu2 -136.9(8) 2_764 . . . ?
O11 Eu1 C22 Eu2 152.8(7) 1_654 . . . ?
O2 Eu1 C22 Eu2 -21.5(7) . . . . ?
O1 Eu1 C22 Eu2 168.2(15) . . . . ?
O5 Eu1 C22 Eu2 -51.1(9) . . . . ?
O6 Eu1 C22 Eu2 10.5(9) . . . . ?
N1 Eu1 C22 Eu2 136.1(8) . . . . ?
N2 Eu1 C22 Eu2 72.5(8) . . . . ?
C13 Eu1 C22 Eu2 -20.6(10) . . . . ?
C21 Eu1 C22 Eu2 -20.4(6) . . . . ?
C34 N3 C23 C24 2.6(18) . . . . ?
Eu2 N3 C23 C24 -175.1(10) . . . . ?
N3 C23 C24 C25 -1(2) . . . . ?
C23 C24 C25 C26 -1(2) . . . . ?
C24 C25 C26 C34 1.5(19) . . . . ?
C24 C25 C26 C27 180.0(13) . . . . ?
C25 C26 C27 C28 -172.7(13) . . . . ?
C34 C26 C27 C28 6(2) . . . . ?
C26 C27 C28 C29 -7(2) . . . . ?
C27 C28 C29 C30 -173.1(13) . . . . ?
C27 C28 C29 C33 6(2) . . . . ?
C28 C29 C30 C31 179.8(13) . . . . ?
C33 C29 C30 C31 0.8(18) . . . . ?
C29 C30 C31 C32 -2(2) . . . . ?
C33 N4 C32 C31 -2.9(16) . . . . ?
Eu2 N4 C32 C31 173.7(9) . . . . ?
C30 C31 C32 N4 3(2) . . . . ?
C32 N4 C33 C29 1.8(16) . . . . ?
Eu2 N4 C33 C29 -174.9(8) . . . . ?
C32 N4 C33 C34 -175.2(10) . . . . ?
Eu2 N4 C33 C34 8.1(13) . . . . ?
C30 C29 C33 N4 -0.7(17) . . . . ?
C28 C29 C33 N4 -179.8(11) . . . . ?
C30 C29 C33 C34 176.2(11) . . . . ?
C28 C29 C33 C34 -2.9(17) . . . . ?
C23 N3 C34 C26 -1.8(16) . . . . ?
Eu2 N3 C34 C26 176.0(8) . . . . ?
C23 N3 C34 C33 -177.7(10) . . . . ?
Eu2 N3 C34 C33 0.1(13) . . . . ?
C25 C26 C34 N3 -0.2(18) . . . . ?
C27 C26 C34 N3 -178.8(11) . . . . ?
C25 C26 C34 C33 175.7(11) . . . . ?
C27 C26 C34 C33 -2.9(17) . . . . ?
N4 C33 C34 N3 -5.3(15) . . . . ?
C29 C33 C34 N3 177.5(10) . . . . ?
N4 C33 C34 C26 178.7(10) . . . . ?
C29 C33 C34 C26 1.5(16) . . . . ?
Eu2 O9 C35 O10 -40(2) . . . . ?
Eu2 O9 C35 C36 142.9(9) . . . . ?
O9 C35 C36 C41 172.6(10) . . . . ?
O10 C35 C36 C41 -5.1(16) . . . . ?
O9 C35 C36 C37 2.1(16) . . . . ?
O10 C35 C36 C37 -175.7(11) . . . . ?
C41 C36 C37 C38 1.9(19) . . . . ?
C35 C36 C37 C38 173.0(12) . . . . ?
C36 C37 C38 C39 0(2) . . . . ?
C37 C38 C39 C40 -1(2) . . . . ?
C38 C39 C40 C41 0.2(19) . . . . ?
C38 C39 C40 C42 -177.0(12) . . . . ?
C39 C40 C41 C36 1.5(16) . . . . ?
C42 C40 C41 C36 178.8(9) . . . . ?
C37 C36 C41 C40 -2.5(15) . . . . ?
C35 C36 C41 C40 -173.5(10) . . . . ?
Eu1 O11 C42 O12 19(5) 1_456 . . . ?
Eu1 O11 C42 C40 -158(4) 1_456 . . . ?
Eu1 O12 C42 O11 43(2) 2_764 . . . ?
Eu1 O12 C42 C40 -139.4(11) 2_764 . . . ?
C39 C40 C42 O11 13.6(15) . . . . ?
C41 C40 C42 O11 -163.7(10) . . . . ?
C39 C40 C42 O12 -163.7(10) . . . . ?
C41 C40 C42 O12 19.0(14) . . . . ?

_diffrn_measured_fraction_theta_max 0.991
_diffrn_reflns_theta_full        25.01
_diffrn_measured_fraction_theta_full 0.991
_refine_diff_density_max         0.879
_refine_diff_density_min         -0.840
_refine_diff_density_rms         0.191
####################################################################### 
# 
# This file contains crystal structure data downloaded from the 
# Cambridge Structural Database (CSD) hosted by the Cambridge 
# Crystallographic Data Centre (CCDC).
# 
# Full information about CCDC data access policies and citation 
# guidelines are available at http://www.ccdc.cam.ac.uk/access/V1 
# 
# Audit and citation data items may have been added by the CCDC. 
# Please retain this information to preserve the provenance of 
# this file and to allow appropriate attribution of the data. 
# 
#######################################################################

data_1
_database_code_depnum_ccdc_archive 'CCDC 1040770'
_audit_update_record             
;
2015-04-09 deposited with the CCDC.
2015-04-13 downloaded from the CCDC.
;

_audit_creation_method           SHELXL-97
_chemical_name_systematic        
; 
 ? 
;
_chemical_name_common            ?
_chemical_melting_point          ?
_chemical_formula_moiety         ?
_chemical_formula_sum            'C42 H26 N4 O13 Tb2'
_chemical_formula_weight         1112.51

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'
Tb Tb -0.1723 4.1537 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'

_symmetry_cell_setting           Triclinic
_symmetry_space_group_name_H-M   P-1

loop_
_symmetry_equiv_pos_as_xyz
'x, y, z'
'-x, -y, -z'

_cell_length_a                   10.8919(15)
_cell_length_b                   12.8520(17)
_cell_length_c                   14.933(2)
_cell_angle_alpha                70.463(3)
_cell_angle_beta                 82.650(2)
_cell_angle_gamma                85.850(3)
_cell_volume                     1952.8(5)
_cell_formula_units_Z            2
_cell_measurement_temperature    296(2)
_cell_measurement_reflns_used    ?
_cell_measurement_theta_min      ?
_cell_measurement_theta_max      ?

_exptl_crystal_description       block
_exptl_crystal_colour            colorless
_exptl_crystal_size_max          ?
_exptl_crystal_size_mid          ?
_exptl_crystal_size_min          ?
_exptl_crystal_density_meas      ?
_exptl_crystal_density_diffrn    1.892
_exptl_crystal_density_method    'not measured'
_exptl_crystal_F_000             1080
_exptl_absorpt_coefficient_mu    3.667
_exptl_absorpt_correction_type   ?
_exptl_absorpt_correction_T_min  ?
_exptl_absorpt_correction_T_max  ?
_exptl_absorpt_process_details   ?

_exptl_special_details           
; 
 ? 
;

_diffrn_ambient_temperature      296(2)
_diffrn_radiation_wavelength     0.71073
_diffrn_radiation_type           MoK\a
_diffrn_radiation_source         'fine-focus sealed tube'
_diffrn_radiation_monochromator  graphite
_diffrn_measurement_device_type  ?
_diffrn_measurement_method       ?
_diffrn_detector_area_resol_mean ?
_diffrn_standards_number         ?
_diffrn_standards_interval_count ?
_diffrn_standards_interval_time  ?
_diffrn_standards_decay_%        ?
_diffrn_reflns_number            19330
_diffrn_reflns_av_R_equivalents  0.0536
_diffrn_reflns_av_sigmaI/netI    0.1823
_diffrn_reflns_limit_h_min       -12
_diffrn_reflns_limit_h_max       12
_diffrn_reflns_limit_k_min       -15
_diffrn_reflns_limit_k_max       11
_diffrn_reflns_limit_l_min       -17
_diffrn_reflns_limit_l_max       17
_diffrn_reflns_theta_min         1.68
_diffrn_reflns_theta_max         25.01
_reflns_number_total             6834
_reflns_number_gt                3707
_reflns_threshold_expression     >2sigma(I)

_computing_data_collection       ?
_computing_cell_refinement       ?
_computing_data_reduction        ?
_computing_structure_solution    'SHELXS-97 (Sheldrick, 1990)'
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 1997)'
_computing_molecular_graphics    ?
_computing_publication_material  ?

_refine_special_details          
; 
 Refinement of F² against ALL reflections.  The weighted R-factor wR and 
 goodness of fit S are based on F², conventional R-factors R are based 
 on F, with F set to zero for negative F². The threshold expression of 
 F² > 2sigma(F²) is used only for calculating R-factors(gt) etc. and is 
 not relevant to the choice of reflections for refinement.  R-factors based 
 on F² 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/[σ²(Fo²)+(0.0000P)²+0.0000P] where P=(Fo²+2Fc²)/3'
_atom_sites_solution_primary     direct
_atom_sites_solution_secondary   difmap
_atom_sites_solution_hydrogens   geom
_refine_ls_hydrogen_treatment    mixed
_refine_ls_extinction_method     none
_refine_ls_extinction_coef       ?
_refine_ls_number_reflns         6834
_refine_ls_number_parameters     556
_refine_ls_number_restraints     15
_refine_ls_R_factor_all          0.1191
_refine_ls_R_factor_gt           0.0570
_refine_ls_wR_factor_ref         0.0953
_refine_ls_wR_factor_gt          0.0770
_refine_ls_goodness_of_fit_ref   0.822
_refine_ls_restrained_S_all      0.822
_refine_ls_shift/su_max          0.000
_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
Tb1 Tb 0.37985(5) 0.32064(5) 0.13286(4) 0.02574(18) Uani 1 1 d . . .
Tb2 Tb -0.03410(5) 0.22362(5) 0.47121(4) 0.02152(17) Uani 1 1 d . . .
O1 O 0.5012(7) 0.3648(6) -0.0087(6) 0.036(2) Uani 1 1 d . . .
O2 O 0.5768(7) 0.5082(7) -0.1320(5) 0.036(2) Uani 1 1 d . . .
O3 O 0.8827(7) 0.2493(6) -0.3868(5) 0.034(2) Uani 1 1 d . . .
O4 O 0.8842(8) 0.4180(7) -0.3781(7) 0.061(3) Uani 1 1 d . . .
O5 O 0.5781(7) 0.2602(6) 0.1915(5) 0.033(2) Uani 1 1 d . . .
O6 O 0.4834(7) 0.1432(6) 0.1463(6) 0.037(2) Uani 1 1 d . . .
O7 O 0.9403(7) 0.1188(6) 0.3767(5) 0.030(2) Uani 1 1 d . . .
O8 O 0.9944(6) -0.0570(6) 0.4153(5) 0.030(2) Uani 1 1 d . . .
O9 O 0.0742(8) 0.3674(6) 0.4997(6) 0.041(2) Uani 1 1 d D . .
H9A H 0.111(9) 0.416(6) 0.453(6) 0.062 Uiso 1 1 d D . .
H9B H 0.021(9) 0.396(7) 0.532(6) 0.062 Uiso 1 1 d D . .
O10 O 0.0389(7) 0.3432(6) 0.3210(5) 0.030(2) Uani 1 1 d . . .
O11 O 0.1829(6) 0.1830(6) 0.4246(5) 0.028(2) Uani 1 1 d . . .
O12 O 0.1907(7) 0.3817(6) 0.2008(5) 0.034(2) Uani 1 1 d . . .
O13 O 0.3283(7) 0.2145(7) 0.2977(5) 0.038(2) Uani 1 1 d . . .
N1 N 0.2184(8) 0.2043(9) 0.1062(7) 0.038(3) Uani 1 1 d . . .
N2 N 0.2456(8) 0.4164(9) -0.0003(7) 0.037(3) Uani 1 1 d . . .
N3 N -0.1976(9) 0.3777(8) 0.4104(7) 0.031(3) Uani 1 1 d . . .
N4 N -0.2613(8) 0.1685(8) 0.5059(6) 0.028(2) Uani 1 1 d . . .
C1 C 0.2640(11) 0.5205(11) -0.0567(8) 0.043(4) Uani 1 1 d . . .
H1 H 0.3331 0.5561 -0.0521 0.051 Uiso 1 1 calc R . .
C2 C 0.1831(12) 0.5762(12) -0.1213(9) 0.052(4) Uani 1 1 d . . .
H2 H 0.1959 0.6501 -0.1564 0.063 Uiso 1 1 calc R . .
C3 C 0.0686(13) 0.4164(14) -0.0805(9) 0.054(4) Uani 1 1 d . . .
C4 C 0.0873(12) 0.5277(13) -0.1351(10) 0.059(5) Uani 1 1 d . . .
H4 H 0.0339 0.5663 -0.1797 0.071 Uiso 1 1 calc R . .
C5 C -0.0317(15) 0.3557(15) -0.0890(12) 0.080(6) Uani 1 1 d . . .
H5 H -0.0881 0.3919 -0.1320 0.096 Uiso 1 1 calc R . .
C6 C -0.0478(14) 0.2503(15) -0.0386(12) 0.081(6) Uani 1 1 d . . .
H6 H -0.1128 0.2135 -0.0481 0.097 Uiso 1 1 calc R . .
C7 C 0.0357(14) 0.1921(14) 0.0315(11) 0.062(5) Uani 1 1 d . . .
C8 C 0.0249(13) 0.0861(13) 0.0907(12) 0.074(5) Uani 1 1 d . . .
H8 H -0.0439 0.0480 0.0895 0.088 Uiso 1 1 calc R . .
C9 C 0.1080(13) 0.0331(12) 0.1510(11) 0.065(5) Uani 1 1 d . . .
H9 H 0.1030 -0.0416 0.1863 0.077 Uiso 1 1 calc R . .
C10 C 0.2006(13) 0.0959(12) 0.1574(10) 0.052(4) Uani 1 1 d . . .
H10 H 0.2568 0.0612 0.2010 0.063 Uiso 1 1 calc R . .
C11 C 0.1343(11) 0.2488(11) 0.0441(9) 0.040(3) Uani 1 1 d . . .
C12 C 0.1506(11) 0.3646(12) -0.0136(9) 0.040(3) Uani 1 1 d . . .
C13 C 0.5991(9) 0.3309(10) -0.1487(8) 0.025(3) Uani 1 1 d . . .
C14 C 0.6908(9) 0.3642(9) -0.2245(8) 0.026(3) Uani 1 1 d . . .
H14 H 0.7219 0.4345 -0.2417 0.031 Uiso 1 1 calc R . .
C15 C 0.7377(10) 0.2937(10) -0.2757(8) 0.025(3) Uani 1 1 d . . .
C16 C 0.6848(12) 0.1931(10) -0.2481(9) 0.040(4) Uani 1 1 d . . .
H16 H 0.7085 0.1466 -0.2839 0.048 Uiso 1 1 calc R . .
C17 C 0.5991(15) 0.1578(12) -0.1708(11) 0.078(5) Uani 1 1 d . . .
H17 H 0.5700 0.0866 -0.1516 0.093 Uiso 1 1 calc R . .
C18 C 0.5557(12) 0.2282(11) -0.1212(10) 0.054(4) Uani 1 1 d . . .
H18 H 0.4964 0.2050 -0.0686 0.064 Uiso 1 1 calc R . .
C19 C 0.5549(11) 0.4072(10) -0.0897(9) 0.032(3) Uani 1 1 d . . .
C20 C 0.8451(11) 0.3250(11) -0.3532(9) 0.038(3) Uani 1 1 d . . .
C21 C 0.6703(10) 0.0796(10) 0.2166(8) 0.031(3) Uani 1 1 d . . .
C22 C 0.7515(10) 0.0911(10) 0.2757(8) 0.035(3) Uani 1 1 d . . .
H22 H 0.7467 0.1547 0.2927 0.042 Uiso 1 1 calc R . .
C23 C 0.8417(10) 0.0083(10) 0.3109(8) 0.030(3) Uani 1 1 d . . .
C24 C 0.8456(10) -0.0861(10) 0.2875(9) 0.037(3) Uani 1 1 d . . .
H24 H 0.9009 -0.1437 0.3136 0.044 Uiso 1 1 calc R . .
C25 C 0.7674(12) -0.0963(10) 0.2248(9) 0.049(4) Uani 1 1 d . . .
H25 H 0.7729 -0.1588 0.2062 0.059 Uiso 1 1 calc R . .
C26 C 0.6801(11) -0.0120(11) 0.1900(10) 0.049(4) Uani 1 1 d . . .
H26 H 0.6278 -0.0187 0.1478 0.059 Uiso 1 1 calc R . .
C27 C 0.9310(11) 0.0228(10) 0.3730(8) 0.027(3) Uani 1 1 d . . .
C28 C 0.5723(11) 0.1671(11) 0.1832(8) 0.030(3) Uani 1 1 d . . .
C29 C -0.2949(11) 0.0664(10) 0.5549(8) 0.035(3) Uani 1 1 d . . .
H29 H -0.2325 0.0129 0.5734 0.043 Uiso 1 1 calc R . .
C30 C -0.4149(12) 0.0339(10) 0.5803(9) 0.044(4) Uani 1 1 d . . .
H30 H -0.4324 -0.0400 0.6118 0.053 Uiso 1 1 calc R . .
C31 C -0.5087(11) 0.1120(11) 0.5585(9) 0.043(4) Uani 1 1 d U . .
H31 H -0.5908 0.0924 0.5780 0.052 Uiso 1 1 calc R . .
C32 C -0.4793(12) 0.2219(11) 0.5062(9) 0.041(4) Uani 1 1 d . . .
C33 C -0.5727(13) 0.3052(11) 0.4767(9) 0.047(4) Uani 1 1 d . . .
H33 H -0.6557 0.2879 0.4943 0.056 Uiso 1 1 calc R . .
C34 C -0.5426(12) 0.4062(12) 0.4249(10) 0.054(4) Uani 1 1 d . . .
H34 H -0.6051 0.4589 0.4044 0.065 Uiso 1 1 calc R . .
C35 C -0.4146(12) 0.4383(12) 0.3987(9) 0.044(4) Uani 1 1 d . . .
C36 C -0.3775(11) 0.5479(10) 0.3481(10) 0.047(4) Uani 1 1 d . . .
H36 H -0.4362 0.6042 0.3270 0.056 Uiso 1 1 calc R . .
C37 C -0.2566(12) 0.5689(11) 0.3311(9) 0.046(4) Uani 1 1 d U . .
H37 H -0.2313 0.6406 0.2987 0.055 Uiso 1 1 calc R . .
C38 C -0.1672(13) 0.4831(10) 0.3621(9) 0.050(4) Uani 1 1 d . . .
H38 H -0.0838 0.5001 0.3485 0.060 Uiso 1 1 calc R . .
C39 C -0.3200(11) 0.3584(10) 0.4281(8) 0.030(3) Uani 1 1 d . . .
C40 C -0.3543(11) 0.2493(10) 0.4817(8) 0.033(3) Uani 1 1 d . . .
C41 C 0.1424(12) 0.3275(10) 0.2838(9) 0.030(3) Uani 1 1 d . . .
C42 C 0.2250(11) 0.2307(10) 0.3412(9) 0.028(3) Uani 1 1 d . . .


_geom_special_details            
; 
 All esds (except the esd in the dihedral angle between two l.s. planes) 
 are estimated using the full covariance matrix.  The cell esds are taken 
 into account individually in the estimation of esds in distances, angles 
 and torsion angles; correlations between esds in cell parameters are only 
 used when they are defined by crystal symmetry.  An approximate (isotropic) 
 treatment of cell esds is used for estimating esds 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
Tb1 O1 2.265(8) . ?
Tb1 O2 2.279(8) 2_665 ?
Tb1 O12 2.378(7) . ?
Tb1 O13 2.396(8) . ?
Tb1 O5 2.412(7) . ?
Tb1 O6 2.427(7) . ?
Tb1 N1 2.539(11) . ?
Tb1 N2 2.541(9) . ?
Tb1 C28 2.768(12) . ?
Tb2 O8 2.296(7) 2_656 ?
Tb2 O7 2.305(8) 1_455 ?
Tb2 O3 2.314(7) 1_456 ?
Tb2 O10 2.332(7) . ?
Tb2 O9 2.441(9) . ?
Tb2 O11 2.447(7) . ?
Tb2 N4 2.564(9) . ?
Tb2 N3 2.573(9) . ?
O1 C19 1.235(13) . ?
O2 C19 1.264(13) . ?
O2 Tb1 2.279(8) 2_665 ?
O3 C20 1.258(14) . ?
O3 Tb2 2.314(7) 1_654 ?
O4 C20 1.219(14) . ?
O5 C28 1.250(14) . ?
O6 C28 1.276(13) . ?
O7 C27 1.265(13) . ?
O7 Tb2 2.305(8) 1_655 ?
O8 C27 1.226(11) . ?
O8 Tb2 2.296(7) 2_656 ?
O9 H9A 0.84(2) . ?
O9 H9B 0.85(2) . ?
O10 C41 1.225(13) . ?
O11 C42 1.233(12) . ?
O12 C41 1.268(13) . ?
O13 C42 1.265(12) . ?
N1 C11 1.346(14) . ?
N1 C10 1.361(15) . ?
N2 C1 1.334(14) . ?
N2 C12 1.339(15) . ?
N3 C38 1.347(14) . ?
N3 C39 1.351(13) . ?
N4 C29 1.323(13) . ?
N4 C40 1.387(12) . ?
C1 C2 1.372(14) . ?
C1 H1 0.9300 . ?
C2 C4 1.325(18) . ?
C2 H2 0.9300 . ?
C3 C12 1.392(16) . ?
C3 C4 1.404(18) . ?
C3 C5 1.430(19) . ?
C4 H4 0.9300 . ?
C5 C6 1.323(19) . ?
C5 H5 0.9300 . ?
C6 C7 1.450(18) . ?
C6 H6 0.9300 . ?
C7 C8 1.358(18) . ?
C7 C11 1.406(18) . ?
C8 C9 1.343(17) . ?
C8 H8 0.9300 . ?
C9 C10 1.368(18) . ?
C9 H9 0.9300 . ?
C10 H10 0.9300 . ?
C11 C12 1.458(17) . ?
C13 C18 1.346(15) . ?
C13 C14 1.381(14) . ?
C13 C19 1.541(15) . ?
C14 C15 1.401(14) . ?
C14 H14 0.9300 . ?
C15 C16 1.365(15) . ?
C15 C20 1.510(15) . ?
C16 C17 1.358(17) . ?
C16 H16 0.9300 . ?
C17 C18 1.375(17) . ?
C17 H17 0.9300 . ?
C18 H18 0.9300 . ?
C21 C26 1.355(16) . ?
C21 C22 1.375(15) . ?
C21 C28 1.497(14) . ?
C22 C23 1.407(13) . ?
C22 H22 0.9300 . ?
C23 C24 1.368(15) . ?
C23 C27 1.488(15) . ?
C24 C25 1.385(15) . ?
C24 H24 0.9300 . ?
C25 C26 1.396(14) . ?
C25 H25 0.9300 . ?
C26 H26 0.9300 . ?
C29 C30 1.368(15) . ?
C29 H29 0.9300 . ?
C30 C31 1.369(14) . ?
C30 H30 0.9300 . ?
C31 C32 1.405(16) . ?
C31 H31 0.9300 . ?
C32 C40 1.402(16) . ?
C32 C33 1.420(14) . ?
C33 C34 1.310(16) . ?
C33 H33 0.9300 . ?
C34 C35 1.449(17) . ?
C34 H34 0.9300 . ?
C35 C39 1.403(14) . ?
C35 C36 1.418(17) . ?
C36 C37 1.338(15) . ?
C36 H36 0.9300 . ?
C37 C38 1.413(14) . ?
C37 H37 0.9300 . ?
C38 H38 0.9300 . ?
C39 C40 1.412(15) . ?
C41 C42 1.554(13) . ?

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 Tb1 O2 85.1(3) . 2_665 ?
O1 Tb1 O12 139.0(2) . . ?
O2 Tb1 O12 76.7(3) 2_665 . ?
O1 Tb1 O13 153.9(2) . . ?
O2 Tb1 O13 105.6(3) 2_665 . ?
O12 Tb1 O13 67.1(2) . . ?
O1 Tb1 O5 81.0(3) . . ?
O2 Tb1 O5 86.8(3) 2_665 . ?
O12 Tb1 O5 133.1(3) . . ?
O13 Tb1 O5 76.0(2) . . ?
O1 Tb1 O6 79.7(3) . . ?
O2 Tb1 O6 139.7(3) 2_665 . ?
O12 Tb1 O6 135.7(3) . . ?
O13 Tb1 O6 76.9(3) . . ?
O5 Tb1 O6 54.2(3) . . ?
O1 Tb1 N1 101.6(3) . . ?
O2 Tb1 N1 145.2(3) 2_665 . ?
O12 Tb1 N1 76.3(3) . . ?
O13 Tb1 N1 83.3(3) . . ?
O5 Tb1 N1 127.9(3) . . ?
O6 Tb1 N1 74.8(3) . . ?
O1 Tb1 N2 71.3(3) . . ?
O2 Tb1 N2 87.4(3) 2_665 . ?
O12 Tb1 N2 71.4(3) . . ?
O13 Tb1 N2 131.8(3) . . ?
O5 Tb1 N2 152.1(3) . . ?
O6 Tb1 N2 121.7(3) . . ?
N1 Tb1 N2 63.5(3) . . ?
O1 Tb1 C28 80.3(3) . . ?
O2 Tb1 C28 113.3(3) 2_665 . ?
O12 Tb1 C28 140.6(3) . . ?
O13 Tb1 C28 73.6(3) . . ?
O5 Tb1 C28 26.8(3) . . ?
O6 Tb1 C28 27.4(3) . . ?
N1 Tb1 C28 101.5(4) . . ?
N2 Tb1 C28 143.4(3) . . ?
O8 Tb2 O7 84.8(3) 2_656 1_455 ?
O8 Tb2 O3 76.6(3) 2_656 1_456 ?
O7 Tb2 O3 140.6(3) 1_455 1_456 ?
O8 Tb2 O10 143.4(2) 2_656 . ?
O7 Tb2 O10 79.4(3) 1_455 . ?
O3 Tb2 O10 133.8(3) 1_456 . ?
O8 Tb2 O9 109.0(3) 2_656 . ?
O7 Tb2 O9 149.8(3) 1_455 . ?
O3 Tb2 O9 69.5(3) 1_456 . ?
O10 Tb2 O9 73.7(3) . . ?
O8 Tb2 O11 77.1(2) 2_656 . ?
O7 Tb2 O11 80.1(3) 1_455 . ?
O3 Tb2 O11 127.2(3) 1_456 . ?
O10 Tb2 O11 67.8(2) . . ?
O9 Tb2 O11 77.3(3) . . ?
O8 Tb2 N4 86.1(3) 2_656 . ?
O7 Tb2 N4 73.3(3) 1_455 . ?
O3 Tb2 N4 71.1(3) 1_456 . ?
O10 Tb2 N4 119.8(3) . . ?
O9 Tb2 N4 132.6(3) . . ?
O11 Tb2 N4 149.7(3) . . ?
O8 Tb2 N3 145.6(3) 2_656 . ?
O7 Tb2 N3 99.0(3) 1_455 . ?
O3 Tb2 N3 79.4(3) 1_456 . ?
O10 Tb2 N3 70.1(3) . . ?
O9 Tb2 N3 84.6(3) . . ?
O11 Tb2 N3 137.3(3) . . ?
N4 Tb2 N3 63.0(3) . . ?
C19 O1 Tb1 168.1(8) . . ?
C19 O2 Tb1 152.2(8) . 2_665 ?
C20 O3 Tb2 140.9(8) . 1_654 ?
C28 O5 Tb1 92.7(8) . . ?
C28 O6 Tb1 91.3(8) . . ?
C27 O7 Tb2 146.4(7) . 1_655 ?
C27 O8 Tb2 156.3(7) . 2_656 ?
Tb2 O9 H9A 119(9) . . ?
Tb2 O9 H9B 105(9) . . ?
H9A O9 H9B 112(4) . . ?
C41 O10 Tb2 120.1(7) . . ?
C42 O11 Tb2 117.2(7) . . ?
C41 O12 Tb1 121.2(7) . . ?
C42 O13 Tb1 120.2(7) . . ?
C11 N1 C10 113.6(12) . . ?
C11 N1 Tb1 121.7(9) . . ?
C10 N1 Tb1 124.5(9) . . ?
C1 N2 C12 117.9(11) . . ?
C1 N2 Tb1 121.6(9) . . ?
C12 N2 Tb1 120.5(8) . . ?
C38 N3 C39 115.8(11) . . ?
C38 N3 Tb2 122.4(9) . . ?
C39 N3 Tb2 121.7(8) . . ?
C29 N4 C40 117.7(10) . . ?
C29 N4 Tb2 122.3(8) . . ?
C40 N4 Tb2 119.7(7) . . ?
N2 C1 C2 121.4(13) . . ?
N2 C1 H1 119.3 . . ?
C2 C1 H1 119.3 . . ?
C4 C2 C1 121.9(14) . . ?
C4 C2 H2 119.0 . . ?
C1 C2 H2 119.0 . . ?
C12 C3 C4 117.8(14) . . ?
C12 C3 C5 119.1(15) . . ?
C4 C3 C5 123.2(14) . . ?
C2 C4 C3 118.2(13) . . ?
C2 C4 H4 120.9 . . ?
C3 C4 H4 120.9 . . ?
C6 C5 C3 122.9(16) . . ?
C6 C5 H5 118.5 . . ?
C3 C5 H5 118.5 . . ?
C5 C6 C7 120.1(16) . . ?
C5 C6 H6 119.9 . . ?
C7 C6 H6 119.9 . . ?
C8 C7 C11 115.3(14) . . ?
C8 C7 C6 125.5(16) . . ?
C11 C7 C6 119.1(14) . . ?
C9 C8 C7 123.7(15) . . ?
C9 C8 H8 118.2 . . ?
C7 C8 H8 118.2 . . ?
C8 C9 C10 115.9(14) . . ?
C8 C9 H9 122.1 . . ?
C10 C9 H9 122.1 . . ?
N1 C10 C9 126.2(13) . . ?
N1 C10 H10 116.9 . . ?
C9 C10 H10 116.9 . . ?
N1 C11 C7 125.0(13) . . ?
N1 C11 C12 115.6(12) . . ?
C7 C11 C12 119.4(13) . . ?
N2 C12 C3 122.6(13) . . ?
N2 C12 C11 118.1(11) . . ?
C3 C12 C11 119.3(13) . . ?
C18 C13 C14 120.1(11) . . ?
C18 C13 C19 119.6(11) . . ?
C14 C13 C19 120.0(11) . . ?
C13 C14 C15 121.1(11) . . ?
C13 C14 H14 119.5 . . ?
C15 C14 H14 119.5 . . ?
C16 C15 C14 116.1(11) . . ?
C16 C15 C20 122.1(11) . . ?
C14 C15 C20 121.8(12) . . ?
C17 C16 C15 123.0(12) . . ?
C17 C16 H16 118.5 . . ?
C15 C16 H16 118.5 . . ?
C16 C17 C18 119.5(14) . . ?
C16 C17 H17 120.2 . . ?
C18 C17 H17 120.2 . . ?
C13 C18 C17 119.9(12) . . ?
C13 C18 H18 120.0 . . ?
C17 C18 H18 120.0 . . ?
O1 C19 O2 127.6(12) . . ?
O1 C19 C13 117.8(11) . . ?
O2 C19 C13 114.6(11) . . ?
O4 C20 O3 127.1(12) . . ?
O4 C20 C15 118.9(13) . . ?
O3 C20 C15 114.0(12) . . ?
C26 C21 C22 119.1(12) . . ?
C26 C21 C28 121.0(12) . . ?
C22 C21 C28 119.9(12) . . ?
C21 C22 C23 121.2(12) . . ?
C21 C22 H22 119.4 . . ?
C23 C22 H22 119.4 . . ?
C24 C23 C22 118.9(11) . . ?
C24 C23 C27 120.4(11) . . ?
C22 C23 C27 120.7(11) . . ?
C23 C24 C25 120.1(11) . . ?
C23 C24 H24 119.9 . . ?
C25 C24 H24 119.9 . . ?
C24 C25 C26 119.5(12) . . ?
C24 C25 H25 120.3 . . ?
C26 C25 H25 120.3 . . ?
C21 C26 C25 121.1(12) . . ?
C21 C26 H26 119.4 . . ?
C25 C26 H26 119.4 . . ?
O8 C27 O7 123.4(12) . . ?
O8 C27 C23 119.0(11) . . ?
O7 C27 C23 117.6(11) . . ?
O5 C28 O6 121.6(12) . . ?
O5 C28 C21 120.7(11) . . ?
O6 C28 C21 117.7(12) . . ?
O5 C28 Tb1 60.5(6) . . ?
O6 C28 Tb1 61.2(6) . . ?
C21 C28 Tb1 175.9(8) . . ?
N4 C29 C30 124.7(11) . . ?
N4 C29 H29 117.7 . . ?
C30 C29 H29 117.7 . . ?
C31 C30 C29 119.0(11) . . ?
C31 C30 H30 120.5 . . ?
C29 C30 H30 120.5 . . ?
C30 C31 C32 119.1(12) . . ?
C30 C31 H31 120.4 . . ?
C32 C31 H31 120.4 . . ?
C40 C32 C31 118.9(12) . . ?
C40 C32 C33 119.5(12) . . ?
C31 C32 C33 121.7(12) . . ?
C34 C33 C32 120.4(14) . . ?
C34 C33 H33 119.8 . . ?
C32 C33 H33 119.8 . . ?
C33 C34 C35 122.0(13) . . ?
C33 C34 H34 119.0 . . ?
C35 C34 H34 119.0 . . ?
C39 C35 C36 116.8(12) . . ?
C39 C35 C34 119.1(13) . . ?
C36 C35 C34 124.1(13) . . ?
C37 C36 C35 118.9(12) . . ?
C37 C36 H36 120.5 . . ?
C35 C36 H36 120.5 . . ?
C36 C37 C38 120.6(12) . . ?
C36 C37 H37 119.7 . . ?
C38 C37 H37 119.7 . . ?
N3 C38 C37 122.7(13) . . ?
N3 C38 H38 118.6 . . ?
C37 C38 H38 118.6 . . ?
N3 C39 C35 125.1(12) . . ?
N3 C39 C40 116.8(11) . . ?
C35 C39 C40 118.1(11) . . ?
N4 C40 C32 120.6(12) . . ?
N4 C40 C39 118.4(11) . . ?
C32 C40 C39 121.0(11) . . ?
O10 C41 O12 126.7(11) . . ?
O10 C41 C42 118.5(10) . . ?
O12 C41 C42 114.8(11) . . ?
O11 C42 O13 128.8(11) . . ?
O11 C42 C41 115.2(10) . . ?
O13 C42 C41 115.9(10) . . ?

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
O2 Tb1 O1 C19 -46(4) 2_665 . . . ?
O12 Tb1 O1 C19 17(4) . . . . ?
O13 Tb1 O1 C19 -162(4) . . . . ?
O5 Tb1 O1 C19 -133(4) . . . . ?
O6 Tb1 O1 C19 171(4) . . . . ?
N1 Tb1 O1 C19 99(4) . . . . ?
N2 Tb1 O1 C19 43(4) . . . . ?
C28 Tb1 O1 C19 -161(4) . . . . ?
O1 Tb1 O5 C28 -86.3(7) . . . . ?
O2 Tb1 O5 C28 -171.9(7) 2_665 . . . ?
O12 Tb1 O5 C28 119.8(7) . . . . ?
O13 Tb1 O5 C28 81.2(7) . . . . ?
O6 Tb1 O5 C28 -2.5(6) . . . . ?
N1 Tb1 O5 C28 11.4(8) . . . . ?
N2 Tb1 O5 C28 -93.8(9) . . . . ?
O1 Tb1 O6 C28 88.7(7) . . . . ?
O2 Tb1 O6 C28 19.1(8) 2_665 . . . ?
O12 Tb1 O6 C28 -115.3(7) . . . . ?
O13 Tb1 O6 C28 -79.6(7) . . . . ?
O5 Tb1 O6 C28 2.5(6) . . . . ?
N1 Tb1 O6 C28 -166.2(7) . . . . ?
N2 Tb1 O6 C28 149.1(6) . . . . ?
O8 Tb2 O10 C41 -11.1(11) 2_656 . . . ?
O7 Tb2 O10 C41 -77.1(9) 1_455 . . . ?
O3 Tb2 O10 C41 127.4(9) 1_456 . . . ?
O9 Tb2 O10 C41 89.1(9) . . . . ?
O11 Tb2 O10 C41 6.5(9) . . . . ?
N4 Tb2 O10 C41 -140.7(9) . . . . ?
N3 Tb2 O10 C41 179.2(10) . . . . ?
O8 Tb2 O11 C42 159.2(9) 2_656 . . . ?
O7 Tb2 O11 C42 72.4(8) 1_455 . . . ?
O3 Tb2 O11 C42 -139.1(8) 1_456 . . . ?
O10 Tb2 O11 C42 -10.2(8) . . . . ?
O9 Tb2 O11 C42 -87.5(9) . . . . ?
N4 Tb2 O11 C42 101.3(9) . . . . ?
N3 Tb2 O11 C42 -20.3(10) . . . . ?
O1 Tb1 O12 C41 172.4(8) . . . . ?
O2 Tb1 O12 C41 -121.6(9) 2_665 . . . ?
O13 Tb1 O12 C41 -8.1(9) . . . . ?
O5 Tb1 O12 C41 -49.2(10) . . . . ?
O6 Tb1 O12 C41 30.0(11) . . . . ?
N1 Tb1 O12 C41 80.4(9) . . . . ?
N2 Tb1 O12 C41 146.7(10) . . . . ?
C28 Tb1 O12 C41 -11.1(12) . . . . ?
O1 Tb1 O13 C42 -174.3(8) . . . . ?
O2 Tb1 O13 C42 74.2(9) 2_665 . . . ?
O12 Tb1 O13 C42 6.4(8) . . . . ?
O5 Tb1 O13 C42 156.7(9) . . . . ?
O6 Tb1 O13 C42 -147.4(9) . . . . ?
N1 Tb1 O13 C42 -71.5(9) . . . . ?
N2 Tb1 O13 C42 -26.5(11) . . . . ?
C28 Tb1 O13 C42 -175.6(10) . . . . ?
O1 Tb1 N1 C11 -68.7(9) . . . . ?
O2 Tb1 N1 C11 29.5(12) 2_665 . . . ?
O12 Tb1 N1 C11 69.3(9) . . . . ?
O13 Tb1 N1 C11 137.3(9) . . . . ?
O5 Tb1 N1 C11 -156.2(8) . . . . ?
O6 Tb1 N1 C11 -144.5(9) . . . . ?
N2 Tb1 N1 C11 -6.5(8) . . . . ?
C28 Tb1 N1 C11 -151.0(9) . . . . ?
O1 Tb1 N1 C10 117.4(10) . . . . ?
O2 Tb1 N1 C10 -144.4(9) 2_665 . . . ?
O12 Tb1 N1 C10 -104.6(10) . . . . ?
O13 Tb1 N1 C10 -36.7(10) . . . . ?
O5 Tb1 N1 C10 29.8(11) . . . . ?
O6 Tb1 N1 C10 41.5(10) . . . . ?
N2 Tb1 N1 C10 179.5(11) . . . . ?
C28 Tb1 N1 C10 35.0(10) . . . . ?
O1 Tb1 N2 C1 -62.4(9) . . . . ?
O2 Tb1 N2 C1 23.3(9) 2_665 . . . ?
O12 Tb1 N2 C1 100.1(9) . . . . ?
O13 Tb1 N2 C1 131.9(8) . . . . ?
O5 Tb1 N2 C1 -54.6(13) . . . . ?
O6 Tb1 N2 C1 -127.0(9) . . . . ?
N1 Tb1 N2 C1 -176.3(10) . . . . ?
C28 Tb1 N2 C1 -103.6(10) . . . . ?
O1 Tb1 N2 C12 120.2(10) . . . . ?
O2 Tb1 N2 C12 -154.1(9) 2_665 . . . ?
O12 Tb1 N2 C12 -77.3(9) . . . . ?
O13 Tb1 N2 C12 -45.5(11) . . . . ?
O5 Tb1 N2 C12 127.9(9) . . . . ?
O6 Tb1 N2 C12 55.6(10) . . . . ?
N1 Tb1 N2 C12 6.3(9) . . . . ?
C28 Tb1 N2 C12 79.0(11) . . . . ?
O8 Tb2 N3 C38 152.2(8) 2_656 . . . ?
O7 Tb2 N3 C38 -113.8(10) 1_455 . . . ?
O3 Tb2 N3 C38 106.1(10) 1_456 . . . ?
O10 Tb2 N3 C38 -38.6(9) . . . . ?
O9 Tb2 N3 C38 36.0(10) . . . . ?
O11 Tb2 N3 C38 -28.6(12) . . . . ?
N4 Tb2 N3 C38 -179.8(11) . . . . ?
O8 Tb2 N3 C39 -25.4(12) 2_656 . . . ?
O7 Tb2 N3 C39 68.5(9) 1_455 . . . ?
O3 Tb2 N3 C39 -71.5(9) 1_456 . . . ?
O10 Tb2 N3 C39 143.7(9) . . . . ?
O9 Tb2 N3 C39 -141.7(9) . . . . ?
O11 Tb2 N3 C39 153.7(8) . . . . ?
N4 Tb2 N3 C39 2.6(8) . . . . ?
O8 Tb2 N4 C29 -13.7(9) 2_656 . . . ?
O7 Tb2 N4 C29 72.0(9) 1_455 . . . ?
O3 Tb2 N4 C29 -90.9(9) 1_456 . . . ?
O10 Tb2 N4 C29 138.9(9) . . . . ?
O9 Tb2 N4 C29 -126.1(9) . . . . ?
O11 Tb2 N4 C29 42.1(12) . . . . ?
N3 Tb2 N4 C29 -178.3(10) . . . . ?
O8 Tb2 N4 C40 159.5(8) 2_656 . . . ?
O7 Tb2 N4 C40 -114.7(8) 1_455 . . . ?
O3 Tb2 N4 C40 82.4(8) 1_456 . . . ?
O10 Tb2 N4 C40 -47.9(9) . . . . ?
O9 Tb2 N4 C40 47.1(9) . . . . ?
O11 Tb2 N4 C40 -144.6(7) . . . . ?
N3 Tb2 N4 C40 -5.1(7) . . . . ?
C12 N2 C1 C2 5.0(18) . . . . ?
Tb1 N2 C1 C2 -172.5(9) . . . . ?
N2 C1 C2 C4 -4(2) . . . . ?
C1 C2 C4 C3 1(2) . . . . ?
C12 C3 C4 C2 1(2) . . . . ?
C5 C3 C4 C2 179.8(15) . . . . ?
C12 C3 C5 C6 -3(3) . . . . ?
C4 C3 C5 C6 178.8(17) . . . . ?
C3 C5 C6 C7 2(3) . . . . ?
C5 C6 C7 C8 176.4(19) . . . . ?
C5 C6 C7 C11 -1(3) . . . . ?
C11 C7 C8 C9 -7(3) . . . . ?
C6 C7 C8 C9 176.2(16) . . . . ?
C7 C8 C9 C10 7(3) . . . . ?
C11 N1 C10 C9 -1(2) . . . . ?
Tb1 N1 C10 C9 173.9(11) . . . . ?
C8 C9 C10 N1 -3(2) . . . . ?
C10 N1 C11 C7 0.4(19) . . . . ?
Tb1 N1 C11 C7 -174.2(11) . . . . ?
C10 N1 C11 C12 -179.1(11) . . . . ?
Tb1 N1 C11 C12 6.3(15) . . . . ?
C8 C7 C11 N1 3(2) . . . . ?
C6 C7 C11 N1 -179.7(13) . . . . ?
C8 C7 C11 C12 -177.6(14) . . . . ?
C6 C7 C11 C12 0(2) . . . . ?
C1 N2 C12 C3 -2.7(19) . . . . ?
Tb1 N2 C12 C3 174.8(10) . . . . ?
C1 N2 C12 C11 176.6(11) . . . . ?
Tb1 N2 C12 C11 -5.9(15) . . . . ?
C4 C3 C12 N2 0(2) . . . . ?
C5 C3 C12 N2 -179.0(13) . . . . ?
C4 C3 C12 C11 -179.7(12) . . . . ?
C5 C3 C12 C11 2(2) . . . . ?
N1 C11 C12 N2 -0.2(18) . . . . ?
C7 C11 C12 N2 -179.7(12) . . . . ?
N1 C11 C12 C3 179.1(11) . . . . ?
C7 C11 C12 C3 0(2) . . . . ?
C18 C13 C14 C15 1.9(17) . . . . ?
C19 C13 C14 C15 176.2(10) . . . . ?
C13 C14 C15 C16 2.0(16) . . . . ?
C13 C14 C15 C20 -174.9(10) . . . . ?
C14 C15 C16 C17 -5(2) . . . . ?
C20 C15 C16 C17 171.4(13) . . . . ?
C15 C16 C17 C18 5(2) . . . . ?
C14 C13 C18 C17 -3(2) . . . . ?
C19 C13 C18 C17 -176.9(13) . . . . ?
C16 C17 C18 C13 -1(2) . . . . ?
Tb1 O1 C19 O2 33(5) . . . . ?
Tb1 O1 C19 C13 -146(4) . . . . ?
Tb1 O2 C19 O1 32(3) 2_665 . . . ?
Tb1 O2 C19 C13 -149.3(11) 2_665 . . . ?
C18 C13 C19 O1 14.6(17) . . . . ?
C14 C13 C19 O1 -159.7(10) . . . . ?
C18 C13 C19 O2 -164.2(12) . . . . ?
C14 C13 C19 O2 21.5(16) . . . . ?
Tb2 O3 C20 O4 -32(2) 1_654 . . . ?
Tb2 O3 C20 C15 146.0(9) 1_654 . . . ?
C16 C15 C20 O4 176.2(13) . . . . ?
C14 C15 C20 O4 -7.1(18) . . . . ?
C16 C15 C20 O3 -2.3(17) . . . . ?
C14 C15 C20 O3 174.4(11) . . . . ?
C26 C21 C22 C23 -1.8(18) . . . . ?
C28 C21 C22 C23 177.7(10) . . . . ?
C21 C22 C23 C24 -1.8(17) . . . . ?
C21 C22 C23 C27 178.6(11) . . . . ?
C22 C23 C24 C25 4.4(19) . . . . ?
C27 C23 C24 C25 -176.0(11) . . . . ?
C23 C24 C25 C26 -3(2) . . . . ?
C22 C21 C26 C25 2.8(19) . . . . ?
C28 C21 C26 C25 -176.7(11) . . . . ?
C24 C25 C26 C21 0(2) . . . . ?
Tb2 O8 C27 O7 110.1(19) 2_656 . . . ?
Tb2 O8 C27 C23 -72(2) 2_656 . . . ?
Tb2 O7 C27 O8 -41(2) 1_655 . . . ?
Tb2 O7 C27 C23 141.9(10) 1_655 . . . ?
C24 C23 C27 O8 -11.6(17) . . . . ?
C22 C23 C27 O8 168.0(10) . . . . ?
C24 C23 C27 O7 166.0(11) . . . . ?
C22 C23 C27 O7 -14.4(16) . . . . ?
Tb1 O5 C28 O6 4.6(12) . . . . ?
Tb1 O5 C28 C21 -175.5(9) . . . . ?
Tb1 O6 C28 O5 -4.6(12) . . . . ?
Tb1 O6 C28 C21 175.5(9) . . . . ?
C26 C21 C28 O5 -165.6(12) . . . . ?
C22 C21 C28 O5 14.9(17) . . . . ?
C26 C21 C28 O6 14.3(17) . . . . ?
C22 C21 C28 O6 -165.2(11) . . . . ?
C26 C21 C28 Tb1 89(13) . . . . ?
C22 C21 C28 Tb1 -91(13) . . . . ?
O1 Tb1 C28 O5 89.2(7) . . . . ?
O2 Tb1 C28 O5 8.8(8) 2_665 . . . ?
O12 Tb1 C28 O5 -88.5(8) . . . . ?
O13 Tb1 C28 O5 -91.4(7) . . . . ?
O6 Tb1 C28 O5 175.5(11) . . . . ?
N1 Tb1 C28 O5 -170.9(6) . . . . ?
N2 Tb1 C28 O5 128.5(7) . . . . ?
O1 Tb1 C28 O6 -86.4(7) . . . . ?
O2 Tb1 C28 O6 -166.7(6) 2_665 . . . ?
O12 Tb1 C28 O6 95.9(7) . . . . ?
O13 Tb1 C28 O6 93.1(7) . . . . ?
O5 Tb1 C28 O6 -175.5(11) . . . . ?
N1 Tb1 C28 O6 13.6(7) . . . . ?
N2 Tb1 C28 O6 -47.0(9) . . . . ?
O1 Tb1 C28 C21 -163(13) . . . . ?
O2 Tb1 C28 C21 117(13) 2_665 . . . ?
O12 Tb1 C28 C21 20(13) . . . . ?
O13 Tb1 C28 C21 17(13) . . . . ?
O5 Tb1 C28 C21 108(13) . . . . ?
O6 Tb1 C28 C21 -76(13) . . . . ?
N1 Tb1 C28 C21 -63(13) . . . . ?
N2 Tb1 C28 C21 -123(13) . . . . ?
C40 N4 C29 C30 2.6(19) . . . . ?
Tb2 N4 C29 C30 176.0(9) . . . . ?
N4 C29 C30 C31 -3(2) . . . . ?
C29 C30 C31 C32 3.5(19) . . . . ?
C30 C31 C32 C40 -2.9(19) . . . . ?
C30 C31 C32 C33 176.3(12) . . . . ?
C40 C32 C33 C34 2(2) . . . . ?
C31 C32 C33 C34 -177.4(14) . . . . ?
C32 C33 C34 C35 -2(2) . . . . ?
C33 C34 C35 C39 1(2) . . . . ?
C33 C34 C35 C36 -175.8(15) . . . . ?
C39 C35 C36 C37 0(2) . . . . ?
C34 C35 C36 C37 177.3(13) . . . . ?
C35 C36 C37 C38 1(2) . . . . ?
C39 N3 C38 C37 -0.1(18) . . . . ?
Tb2 N3 C38 C37 -177.9(9) . . . . ?
C36 C37 C38 N3 -1(2) . . . . ?
C38 N3 C39 C35 1.1(18) . . . . ?
Tb2 N3 C39 C35 178.9(9) . . . . ?
C38 N3 C39 C40 -177.7(11) . . . . ?
Tb2 N3 C39 C40 0.1(15) . . . . ?
C36 C35 C39 N3 -1.1(19) . . . . ?
C34 C35 C39 N3 -178.4(12) . . . . ?
C36 C35 C39 C40 177.7(12) . . . . ?
C34 C35 C39 C40 0.4(18) . . . . ?
C29 N4 C40 C32 -1.9(17) . . . . ?
Tb2 N4 C40 C32 -175.5(9) . . . . ?
C29 N4 C40 C39 -178.9(11) . . . . ?
Tb2 N4 C40 C39 7.5(14) . . . . ?
C31 C32 C40 N4 2.1(18) . . . . ?
C33 C32 C40 N4 -177.1(11) . . . . ?
C31 C32 C40 C39 179.1(12) . . . . ?
C33 C32 C40 C39 -0.1(19) . . . . ?
N3 C39 C40 N4 -5.0(17) . . . . ?
C35 C39 C40 N4 176.1(10) . . . . ?
N3 C39 C40 C32 178.0(11) . . . . ?
C35 C39 C40 C32 -0.9(18) . . . . ?
Tb2 O10 C41 O12 175.7(10) . . . . ?
Tb2 O10 C41 C42 -3.2(14) . . . . ?
Tb1 O12 C41 O10 -170.2(10) . . . . ?
Tb1 O12 C41 C42 8.7(14) . . . . ?
Tb2 O11 C42 O13 -171.2(10) . . . . ?
Tb2 O11 C42 C41 12.0(13) . . . . ?
Tb1 O13 C42 O11 178.7(10) . . . . ?
Tb1 O13 C42 C41 -4.6(14) . . . . ?
O10 C41 C42 O11 -6.4(16) . . . . ?
O12 C41 C42 O11 174.6(11) . . . . ?
O10 C41 C42 O13 176.4(12) . . . . ?
O12 C41 C42 O13 -2.6(16) . . . . ?

_diffrn_measured_fraction_theta_max 0.992
_diffrn_reflns_theta_full        25.01
_diffrn_measured_fraction_theta_full 0.992
_refine_diff_density_max         1.219
_refine_diff_density_min         -1.151
_refine_diff_density_rms         0.198
####################################################################### 
# 
# This file contains crystal structure data downloaded from the 
# Cambridge Structural Database (CSD) hosted by the Cambridge 
# Crystallographic Data Centre (CCDC).
# 
# Full information about CCDC data access policies and citation 
# guidelines are available at http://www.ccdc.cam.ac.uk/access/V1 
# 
# Audit and citation data items may have been added by the CCDC. 
# Please retain this information to preserve the provenance of 
# this file and to allow appropriate attribution of the data. 
# 
#######################################################################

data_1
_database_code_depnum_ccdc_archive 'CCDC 1040772'
_audit_update_record             
;
2015-04-09 deposited with the CCDC.
2015-04-13 downloaded from the CCDC.
;

_audit_creation_method           SHELXL-97
_chemical_name_systematic        
; 
 ? 
;
_chemical_name_common            ?
_chemical_melting_point          ?
_chemical_formula_moiety         ?
_chemical_formula_sum            'C42 H26 N4 O13 Yb2'
_chemical_formula_weight         1140.75

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'
Yb Yb -0.3850 5.5486 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'

_symmetry_cell_setting           Triclinic
_symmetry_space_group_name_H-M   P-1

loop_
_symmetry_equiv_pos_as_xyz
'x, y, z'
'-x, -y, -z'

_cell_length_a                   10.7901(9)
_cell_length_b                   12.8494(10)
_cell_length_c                   15.0261(12)
_cell_angle_alpha                69.5730(10)
_cell_angle_beta                 81.107(2)
_cell_angle_gamma                84.518(2)
_cell_volume                     1926.9(3)
_cell_formula_units_Z            2
_cell_measurement_temperature    296(2)
_cell_measurement_reflns_used    ?
_cell_measurement_theta_min      ?
_cell_measurement_theta_max      ?

_exptl_crystal_description       block
_exptl_crystal_colour            colorless
_exptl_crystal_size_max          ?
_exptl_crystal_size_mid          ?
_exptl_crystal_size_min          ?
_exptl_crystal_density_meas      ?
_exptl_crystal_density_diffrn    1.966
_exptl_crystal_density_method    'not measured'
_exptl_crystal_F_000             1100
_exptl_absorpt_coefficient_mu    4.899
_exptl_absorpt_correction_type   ?
_exptl_absorpt_correction_T_min  ?
_exptl_absorpt_correction_T_max  ?
_exptl_absorpt_process_details   ?

_exptl_special_details           
; 
 ? 
;

_diffrn_ambient_temperature      296(2)
_diffrn_radiation_wavelength     0.71073
_diffrn_radiation_type           MoK\a
_diffrn_radiation_source         'fine-focus sealed tube'
_diffrn_radiation_monochromator  graphite
_diffrn_measurement_device_type  ?
_diffrn_measurement_method       ?
_diffrn_detector_area_resol_mean ?
_diffrn_standards_number         ?
_diffrn_standards_interval_count ?
_diffrn_standards_interval_time  ?
_diffrn_standards_decay_%        ?
_diffrn_reflns_number            9586
_diffrn_reflns_av_R_equivalents  0.0436
_diffrn_reflns_av_sigmaI/netI    0.0939
_diffrn_reflns_limit_h_min       -10
_diffrn_reflns_limit_h_max       12
_diffrn_reflns_limit_k_min       -15
_diffrn_reflns_limit_k_max       14
_diffrn_reflns_limit_l_min       -17
_diffrn_reflns_limit_l_max       15
_diffrn_reflns_theta_min         1.82
_diffrn_reflns_theta_max         25.01
_reflns_number_total             6732
_reflns_number_gt                4804
_reflns_threshold_expression     >2sigma(I)

_computing_data_collection       ?
_computing_cell_refinement       ?
_computing_data_reduction        ?
_computing_structure_solution    'SHELXS-97 (Sheldrick, 1990)'
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 1997)'
_computing_molecular_graphics    ?
_computing_publication_material  ?

_refine_special_details          
; 
 Refinement of F² against ALL reflections.  The weighted R-factor wR and 
 goodness of fit S are based on F², conventional R-factors R are based 
 on F, with F set to zero for negative F². The threshold expression of 
 F² > 2sigma(F²) is used only for calculating R-factors(gt) etc. and is 
 not relevant to the choice of reflections for refinement.  R-factors based 
 on F² 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/[σ²(Fo²)+(0.0411P)²+5.3548P] where P=(Fo²+2Fc²)/3'
_atom_sites_solution_primary     direct
_atom_sites_solution_secondary   difmap
_atom_sites_solution_hydrogens   geom
_refine_ls_hydrogen_treatment    mixed
_refine_ls_extinction_method     none
_refine_ls_extinction_coef       ?
_refine_ls_number_reflns         6732
_refine_ls_number_parameters     556
_refine_ls_number_restraints     15
_refine_ls_R_factor_all          0.0742
_refine_ls_R_factor_gt           0.0478
_refine_ls_wR_factor_ref         0.1074
_refine_ls_wR_factor_gt          0.0935
_refine_ls_goodness_of_fit_ref   0.913
_refine_ls_restrained_S_all      0.914
_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
Yb1 Yb 1.38028(4) 0.32114(3) -0.86836(3) 0.02267(13) Uani 1 1 d . . .
Yb2 Yb 0.96522(4) 0.22373(3) -0.53112(3) 0.01869(12) Uani 1 1 d . . .
O1 O 1.1882(6) 0.3805(6) -0.8034(5) 0.0366(19) Uani 1 1 d . . .
O2 O 1.3309(6) 0.2165(6) -0.7048(5) 0.0339(18) Uani 1 1 d . . .
O3 O 1.1815(6) 0.1832(5) -0.5779(4) 0.0236(15) Uani 1 1 d . . .
O4 O 1.0342(6) 0.3416(5) -0.6813(5) 0.0302(17) Uani 1 1 d . . .
O5 O 1.5758(6) 0.2675(5) -0.8083(5) 0.0283(16) Uani 1 1 d . . .
O6 O 1.4884(6) 0.1493(5) -0.8534(5) 0.0310(17) Uani 1 1 d . . .
O7 O 1.9951(6) -0.0596(5) -0.5787(4) 0.0255(15) Uani 1 1 d . . .
O8 O 1.9424(6) 0.1210(5) -0.6225(4) 0.0265(16) Uani 1 1 d . . .
O9 O 0.8797(6) 0.2476(5) -0.3914(5) 0.0295(16) Uani 1 1 d . . .
O10 O 0.8873(7) 0.4153(6) -0.3820(6) 0.047(2) Uani 1 1 d . . .
O11 O 0.5071(6) 0.3661(6) -0.0067(5) 0.0338(17) Uani 1 1 d . . .
O12 O 0.5825(7) 0.5103(6) -0.1297(5) 0.0366(18) Uani 1 1 d . . .
O13 O 1.0736(7) 0.3633(6) -0.5070(5) 0.0336(17) Uani 1 1 d D . .
H13A H 1.127(6) 0.350(9) -0.468(6) 0.050 Uiso 1 1 d D . .
H13B H 1.009(5) 0.396(8) -0.486(6) 0.050 Uiso 1 1 d D . .
N1 N 1.2506(8) 0.4159(7) -0.9999(6) 0.034(2) Uani 1 1 d . . .
N2 N 1.2285(8) 0.1997(7) -0.8900(7) 0.040(2) Uani 1 1 d . . .
N3 N 0.8033(7) 0.3796(6) -0.5886(6) 0.0260(19) Uani 1 1 d . . .
N4 N 0.7412(7) 0.1677(6) -0.4948(6) 0.0233(18) Uani 1 1 d . . .
C1 C 1.2635(10) 0.5186(10) -1.0546(7) 0.039(3) Uani 1 1 d . . .
H1 H 1.3294 0.5559 -1.0481 0.047 Uiso 1 1 calc R . .
C2 C 1.1834(12) 0.5774(11) -1.1237(8) 0.053(4) Uani 1 1 d . . .
H2 H 1.1955 0.6515 -1.1607 0.064 Uiso 1 1 calc R . .
C3 C 1.0901(13) 0.5237(11) -1.1343(9) 0.065(4) Uani 1 1 d . . .
H3 H 1.0359 0.5613 -1.1788 0.078 Uiso 1 1 calc R . .
C4 C 1.0722(11) 0.4121(11) -1.0798(9) 0.055(4) Uani 1 1 d . . .
C5 C 0.9767(13) 0.3474(14) -1.0862(11) 0.078(5) Uani 1 1 d . . .
H5 H 0.9215 0.3799 -1.1311 0.093 Uiso 1 1 calc R . .
C6 C 0.9630(14) 0.2414(14) -1.0299(11) 0.080(5) Uani 1 1 d . . .
H6 H 0.8964 0.2033 -1.0344 0.096 Uiso 1 1 calc R . .
C7 C 1.0497(11) 0.1850(10) -0.9624(9) 0.050(3) Uani 1 1 d . . .
C8 C 1.0411(13) 0.0748(11) -0.9030(11) 0.069(4) Uani 1 1 d . . .
H8 H 0.9779 0.0328 -0.9070 0.083 Uiso 1 1 calc R . .
C9 C 1.1229(13) 0.0283(11) -0.8399(11) 0.070(4) Uani 1 1 d . . .
H9 H 1.1176 -0.0456 -0.8002 0.084 Uiso 1 1 calc R . .
C10 C 1.2163(11) 0.0937(10) -0.8352(8) 0.044(3) Uani 1 1 d . . .
H10 H 1.2730 0.0614 -0.7914 0.053 Uiso 1 1 calc R . .
C11 C 1.1428(10) 0.2458(9) -0.9516(7) 0.036(3) Uani 1 1 d . . .
C12 C 1.1564(10) 0.3606(9) -1.0104(7) 0.035(3) Uani 1 1 d . . .
C13 C 1.5744(9) 0.1739(9) -0.8170(7) 0.030(3) Uani 1 1 d . . .
C14 C 1.6743(8) 0.0857(7) -0.7819(6) 0.020(2) Uani 1 1 d . . .
C15 C 1.6878(10) -0.0074(9) -0.8079(9) 0.041(3) Uani 1 1 d . . .
H15 H 1.6383 -0.0127 -0.8515 0.049 Uiso 1 1 calc R . .
C16 C 1.7734(11) -0.0942(8) -0.7709(8) 0.042(3) Uani 1 1 d . . .
H16 H 1.7797 -0.1572 -0.7885 0.050 Uiso 1 1 calc R . .
C17 C 1.8496(10) -0.0857(8) -0.7073(7) 0.032(3) Uani 1 1 d . . .
H17 H 1.9041 -0.1446 -0.6793 0.039 Uiso 1 1 calc R . .
C18 C 1.8435(9) 0.0112(8) -0.6860(7) 0.027(2) Uani 1 1 d . . .
C19 C 1.9336(8) 0.0228(7) -0.6223(6) 0.019(2) Uani 1 1 d . . .
C20 C 1.7552(8) 0.0963(7) -0.7221(6) 0.021(2) Uani 1 1 d . . .
H20 H 1.7503 0.1604 -0.7062 0.025 Uiso 1 1 calc R . .
C21 C 1.2261(9) 0.2331(8) -0.6617(7) 0.029(2) Uani 1 1 d . . .
C22 C 1.1428(10) 0.3275(9) -0.7210(7) 0.030(2) Uani 1 1 d . . .
C23 C 0.8320(10) 0.4858(8) -0.6348(8) 0.038(3) Uani 1 1 d . . .
H23 H 0.9163 0.5023 -0.6464 0.046 Uiso 1 1 calc R . .
C24 C 0.7464(11) 0.5720(9) -0.6663(9) 0.046(3) Uani 1 1 d U . .
H24 H 0.7726 0.6438 -0.6994 0.055 Uiso 1 1 calc R . .
C25 C 0.6216(11) 0.5502(9) -0.6482(9) 0.049(3) Uani 1 1 d . . .
H25 H 0.5616 0.6076 -0.6676 0.059 Uiso 1 1 calc R . .
C26 C 0.5848(10) 0.4416(8) -0.6005(8) 0.032(3) Uani 1 1 d . . .
C27 C 0.4574(11) 0.4110(10) -0.5762(9) 0.049(3) Uani 1 1 d . . .
H27 H 0.3948 0.4658 -0.5955 0.059 Uiso 1 1 calc R . .
C28 C 0.4236(10) 0.3060(9) -0.5264(8) 0.041(3) Uani 1 1 d . . .
H28 H 0.3391 0.2900 -0.5118 0.049 Uiso 1 1 calc R . .
C29 C 0.5184(9) 0.2182(8) -0.4954(7) 0.031(2) Uani 1 1 d . . .
C30 C 0.4894(10) 0.1101(8) -0.4426(7) 0.034(3) Uani 1 1 d . . .
H30 H 0.4062 0.0907 -0.4234 0.041 Uiso 1 1 calc R . .
C31 C 0.5854(10) 0.0315(9) -0.4189(8) 0.039(3) Uani 1 1 d . . .
H31 H 0.5680 -0.0424 -0.3847 0.047 Uiso 1 1 calc R . .
C32 C 0.7090(10) 0.0633(8) -0.4464(8) 0.032(3) Uani 1 1 d . . .
H32 H 0.7728 0.0087 -0.4301 0.038 Uiso 1 1 calc R . .
C33 C 0.6458(9) 0.2449(7) -0.5181(7) 0.021(2) Uani 1 1 d . . .
C34 C 0.6797(9) 0.3588(8) -0.5707(7) 0.025(2) Uani 1 1 d . . .
C35 C 0.8381(9) 0.3234(8) -0.3563(7) 0.027(2) Uani 1 1 d . . .
C36 C 0.7306(9) 0.2965(8) -0.2781(7) 0.025(2) Uani 1 1 d . . .
C37 C 0.6730(11) 0.1961(9) -0.2546(8) 0.042(3) Uani 1 1 d . . .
H37 H 0.6985 0.1491 -0.2897 0.050 Uiso 1 1 calc R . .
C38 C 0.5778(13) 0.1671(11) -0.1789(10) 0.063(4) Uani 1 1 d . . .
H38 H 0.5371 0.1015 -0.1645 0.076 Uiso 1 1 calc R . .
C39 C 0.5426(10) 0.2345(9) -0.1244(8) 0.043(3) Uani 1 1 d U . .
H39 H 0.4818 0.2120 -0.0712 0.051 Uiso 1 1 calc R . .
C40 C 0.5981(9) 0.3368(8) -0.1488(7) 0.030(2) Uani 1 1 d . . .
C41 C 0.6922(9) 0.3655(8) -0.2258(7) 0.024(2) Uani 1 1 d . . .
H41 H 0.7301 0.4329 -0.2426 0.028 Uiso 1 1 calc R . .
C42 C 0.5596(9) 0.4104(8) -0.0907(7) 0.024(2) Uani 1 1 d . . .


_geom_special_details            
; 
 All esds (except the esd in the dihedral angle between two l.s. planes) 
 are estimated using the full covariance matrix.  The cell esds are taken 
 into account individually in the estimation of esds in distances, angles 
 and torsion angles; correlations between esds in cell parameters are only 
 used when they are defined by crystal symmetry.  An approximate (isotropic) 
 treatment of cell esds is used for estimating esds 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
Yb1 O11 2.228(6) 1_654 ?
Yb1 O12 2.230(7) 2_764 ?
Yb1 O1 2.329(6) . ?
Yb1 O6 2.351(6) . ?
Yb1 O2 2.357(7) . ?
Yb1 O5 2.370(6) . ?
Yb1 N1 2.489(8) . ?
Yb1 N2 2.496(9) . ?
Yb1 C13 2.699(10) . ?
Yb1 C22 3.131(10) . ?
Yb1 C21 3.162(10) . ?
Yb2 O7 2.229(6) 2_854 ?
Yb2 O8 2.263(6) 1_455 ?
Yb2 O9 2.269(6) . ?
Yb2 O4 2.291(6) . ?
Yb2 O13 2.388(7) . ?
Yb2 O3 2.393(6) . ?
Yb2 N4 2.512(8) . ?
Yb2 N3 2.530(7) . ?
Yb2 C22 3.120(10) . ?
Yb2 C21 3.159(10) . ?
O1 C22 1.235(11) . ?
O2 C21 1.252(11) . ?
O3 C21 1.240(11) . ?
O4 C22 1.258(11) . ?
O5 C13 1.255(12) . ?
O6 C13 1.263(12) . ?
O7 C19 1.228(10) . ?
O7 Yb2 2.229(6) 2_854 ?
O8 C19 1.274(10) . ?
O8 Yb2 2.263(6) 1_655 ?
O9 C35 1.276(11) . ?
O10 C35 1.251(11) . ?
O11 C42 1.256(11) . ?
O11 Yb1 2.228(6) 1_456 ?
O12 C42 1.242(10) . ?
O12 Yb1 2.230(7) 2_764 ?
O13 H13A 0.86(2) . ?
O13 H13B 0.86(2) . ?
N1 C1 1.296(13) . ?
N1 C12 1.352(13) . ?
N2 C10 1.330(13) . ?
N2 C11 1.356(13) . ?
N3 C23 1.340(12) . ?
N3 C34 1.352(12) . ?
N4 C32 1.334(12) . ?
N4 C33 1.356(11) . ?
C1 C2 1.415(14) . ?
C1 H1 0.9300 . ?
C2 C3 1.331(17) . ?
C2 H2 0.9300 . ?
C3 C4 1.396(17) . ?
C3 H3 0.9300 . ?
C4 C5 1.419(18) . ?
C4 C12 1.431(15) . ?
C5 C6 1.337(19) . ?
C5 H5 0.9300 . ?
C6 C7 1.442(17) . ?
C6 H6 0.9300 . ?
C7 C8 1.389(17) . ?
C7 C11 1.392(15) . ?
C8 C9 1.341(18) . ?
C8 H8 0.9300 . ?
C9 C10 1.398(17) . ?
C9 H9 0.9300 . ?
C10 H10 0.9300 . ?
C11 C12 1.439(14) . ?
C13 C14 1.500(12) . ?
C14 C15 1.372(14) . ?
C14 C20 1.392(12) . ?
C15 C16 1.391(14) . ?
C15 H15 0.9300 . ?
C16 C17 1.391(14) . ?
C16 H16 0.9300 . ?
C17 C18 1.383(13) . ?
C17 H17 0.9300 . ?
C18 C20 1.394(12) . ?
C18 C19 1.515(13) . ?
C20 H20 0.9300 . ?
C21 C22 1.535(14) . ?
C23 C24 1.370(14) . ?
C23 H23 0.9300 . ?
C24 C25 1.368(16) . ?
C24 H24 0.9300 . ?
C25 C26 1.392(14) . ?
C25 H25 0.9300 . ?
C26 C34 1.408(13) . ?
C26 C27 1.423(15) . ?
C27 C28 1.348(15) . ?
C27 H27 0.9300 . ?
C28 C29 1.447(13) . ?
C28 H28 0.9300 . ?
C29 C30 1.377(13) . ?
C29 C33 1.409(13) . ?
C30 C31 1.373(14) . ?
C30 H30 0.9300 . ?
C31 C32 1.390(14) . ?
C31 H31 0.9300 . ?
C32 H32 0.9300 . ?
C33 C34 1.452(13) . ?
C35 C36 1.489(13) . ?
C36 C41 1.375(13) . ?
C36 C37 1.393(13) . ?
C37 C38 1.380(15) . ?
C37 H37 0.9300 . ?
C38 C39 1.379(15) . ?
C38 H38 0.9300 . ?
C39 C40 1.403(13) . ?
C39 H39 0.9300 . ?
C40 C41 1.384(13) . ?
C40 C42 1.490(13) . ?
C41 H41 0.9300 . ?

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
O11 Yb1 O12 84.8(2) 1_654 2_764 ?
O11 Yb1 O1 139.2(2) 1_654 . ?
O12 Yb1 O1 76.7(3) 2_764 . ?
O11 Yb1 O6 79.5(2) 1_654 . ?
O12 Yb1 O6 139.1(3) 2_764 . ?
O1 Yb1 O6 136.2(2) . . ?
O11 Yb1 O2 152.5(2) 1_654 . ?
O12 Yb1 O2 104.7(2) 2_764 . ?
O1 Yb1 O2 68.3(2) . . ?
O6 Yb1 O2 76.6(2) . . ?
O11 Yb1 O5 80.9(2) 1_654 . ?
O12 Yb1 O5 84.9(2) 2_764 . ?
O1 Yb1 O5 132.0(2) . . ?
O6 Yb1 O5 55.6(2) . . ?
O2 Yb1 O5 74.5(2) . . ?
O11 Yb1 N1 71.8(3) 1_654 . ?
O12 Yb1 N1 87.2(3) 2_764 . ?
O1 Yb1 N1 71.2(3) . . ?
O6 Yb1 N1 122.2(3) . . ?
O2 Yb1 N1 133.3(3) . . ?
O5 Yb1 N1 152.2(3) . . ?
O11 Yb1 N2 102.8(3) 1_654 . ?
O12 Yb1 N2 147.0(3) 2_764 . ?
O1 Yb1 N2 76.9(3) . . ?
O6 Yb1 N2 73.7(3) . . ?
O2 Yb1 N2 83.4(3) . . ?
O5 Yb1 N2 127.8(3) . . ?
N1 Yb1 N2 65.7(3) . . ?
O11 Yb1 C13 79.9(3) 1_654 . ?
O12 Yb1 C13 112.2(3) 2_764 . ?
O1 Yb1 C13 140.9(3) . . ?
O6 Yb1 C13 27.9(3) . . ?
O2 Yb1 C13 72.6(3) . . ?
O5 Yb1 C13 27.7(3) . . ?
N1 Yb1 C13 144.0(3) . . ?
N2 Yb1 C13 100.7(3) . . ?
O11 Yb1 C22 159.1(3) 1_654 . ?
O12 Yb1 C22 86.9(3) 2_764 . ?
O1 Yb1 C22 20.0(2) . . ?
O6 Yb1 C22 118.5(3) . . ?
O2 Yb1 C22 48.4(2) . . ?
O5 Yb1 C22 117.5(2) . . ?
N1 Yb1 C22 88.6(3) . . ?
N2 Yb1 C22 74.6(3) . . ?
C13 Yb1 C22 121.1(3) . . ?
O11 Yb1 C21 172.7(3) 1_654 . ?
O12 Yb1 C21 98.4(3) 2_764 . ?
O1 Yb1 C21 48.1(2) . . ?
O6 Yb1 C21 93.9(3) . . ?
O2 Yb1 C21 20.2(2) . . ?
O5 Yb1 C21 92.8(2) . . ?
N1 Yb1 C21 114.7(3) . . ?
N2 Yb1 C21 78.0(3) . . ?
C13 Yb1 C21 92.8(3) . . ?
C22 Yb1 C21 28.2(2) . . ?
O7 Yb2 O8 84.2(2) 2_854 1_455 ?
O7 Yb2 O9 76.8(2) 2_854 . ?
O8 Yb2 O9 140.3(2) 1_455 . ?
O7 Yb2 O4 143.6(2) 2_854 . ?
O8 Yb2 O4 78.6(2) 1_455 . ?
O9 Yb2 O4 134.4(2) . . ?
O7 Yb2 O13 109.3(2) 2_854 . ?
O8 Yb2 O13 149.0(2) 1_455 . ?
O9 Yb2 O13 70.7(2) . . ?
O4 Yb2 O13 74.3(3) . . ?
O7 Yb2 O3 76.8(2) 2_854 . ?
O8 Yb2 O3 80.4(2) 1_455 . ?
O9 Yb2 O3 127.0(2) . . ?
O4 Yb2 O3 68.9(2) . . ?
O13 Yb2 O3 76.0(2) . . ?
O7 Yb2 N4 85.4(2) 2_854 . ?
O8 Yb2 N4 72.5(2) 1_455 . ?
O9 Yb2 N4 71.4(2) . . ?
O4 Yb2 N4 118.6(2) . . ?
O13 Yb2 N4 134.5(2) . . ?
O3 Yb2 N4 149.0(2) . . ?
O7 Yb2 N3 146.0(2) 2_854 . ?
O8 Yb2 N3 100.2(2) 1_455 . ?
O9 Yb2 N3 78.8(2) . . ?
O4 Yb2 N3 69.3(2) . . ?
O13 Yb2 N3 84.1(3) . . ?
O3 Yb2 N3 137.1(2) . . ?
N4 Yb2 N3 64.4(2) . . ?
O7 Yb2 C22 123.7(3) 2_854 . ?
O8 Yb2 C22 75.3(3) 1_455 . ?
O9 Yb2 C22 143.8(2) . . ?
O4 Yb2 C22 20.4(2) . . ?
O13 Yb2 C22 74.0(3) . . ?
O3 Yb2 C22 48.6(2) . . ?
N4 Yb2 C22 133.4(3) . . ?
N3 Yb2 C22 89.7(3) . . ?
O7 Yb2 C21 96.1(2) 2_854 . ?
O8 Yb2 C21 75.4(2) 1_455 . ?
O9 Yb2 C21 140.5(3) . . ?
O4 Yb2 C21 48.7(2) . . ?
O13 Yb2 C21 75.6(3) . . ?
O3 Yb2 C21 20.4(2) . . ?
N4 Yb2 C21 147.5(3) . . ?
N3 Yb2 C21 117.7(3) . . ?
C22 Yb2 C21 28.3(3) . . ?
C22 O1 Yb1 119.8(6) . . ?
C21 O2 Yb1 119.1(6) . . ?
C21 O3 Yb2 117.2(6) . . ?
C22 O4 Yb2 120.2(6) . . ?
C13 O5 Yb1 90.9(6) . . ?
C13 O6 Yb1 91.6(6) . . ?
C19 O7 Yb2 158.3(6) . 2_854 ?
C19 O8 Yb2 144.7(6) . 1_655 ?
C35 O9 Yb2 141.6(6) . . ?
C42 O11 Yb1 166.2(7) . 1_456 ?
C42 O12 Yb1 154.7(7) . 2_764 ?
Yb2 O13 H13A 124(7) . . ?
Yb2 O13 H13B 97(7) . . ?
H13A O13 H13B 108(3) . . ?
C1 N1 C12 118.2(9) . . ?
C1 N1 Yb1 122.9(7) . . ?
C12 N1 Yb1 118.7(7) . . ?
C10 N2 C11 117.2(10) . . ?
C10 N2 Yb1 123.0(7) . . ?
C11 N2 Yb1 119.2(7) . . ?
C23 N3 C34 116.1(9) . . ?
C23 N3 Yb2 123.5(7) . . ?
C34 N3 Yb2 120.3(6) . . ?
C32 N4 C33 116.6(8) . . ?
C32 N4 Yb2 122.4(6) . . ?
C33 N4 Yb2 120.8(6) . . ?
N1 C1 C2 124.0(11) . . ?
N1 C1 H1 118.0 . . ?
C2 C1 H1 118.0 . . ?
C3 C2 C1 118.1(12) . . ?
C3 C2 H2 120.9 . . ?
C1 C2 H2 120.9 . . ?
C2 C3 C4 121.3(12) . . ?
C2 C3 H3 119.4 . . ?
C4 C3 H3 119.4 . . ?
C3 C4 C5 125.6(12) . . ?
C3 C4 C12 116.3(12) . . ?
C5 C4 C12 118.0(12) . . ?
C6 C5 C4 122.4(13) . . ?
C6 C5 H5 118.8 . . ?
C4 C5 H5 118.8 . . ?
C5 C6 C7 121.2(13) . . ?
C5 C6 H6 119.4 . . ?
C7 C6 H6 119.4 . . ?
C8 C7 C11 117.7(11) . . ?
C8 C7 C6 123.7(12) . . ?
C11 C7 C6 118.4(12) . . ?
C9 C8 C7 120.7(13) . . ?
C9 C8 H8 119.7 . . ?
C7 C8 H8 119.7 . . ?
C8 C9 C10 118.3(12) . . ?
C8 C9 H9 120.9 . . ?
C10 C9 H9 120.9 . . ?
N2 C10 C9 123.5(11) . . ?
N2 C10 H10 118.2 . . ?
C9 C10 H10 118.2 . . ?
N2 C11 C7 122.5(11) . . ?
N2 C11 C12 116.9(10) . . ?
C7 C11 C12 120.6(10) . . ?
N1 C12 C4 122.0(10) . . ?
N1 C12 C11 118.8(9) . . ?
C4 C12 C11 119.2(10) . . ?
O5 C13 O6 121.9(9) . . ?
O5 C13 C14 120.7(9) . . ?
O6 C13 C14 117.4(9) . . ?
O5 C13 Yb1 61.4(5) . . ?
O6 C13 Yb1 60.5(5) . . ?
C14 C13 Yb1 175.0(7) . . ?
C15 C14 C20 118.5(8) . . ?
C15 C14 C13 120.7(9) . . ?
C20 C14 C13 120.9(9) . . ?
C14 C15 C16 121.8(10) . . ?
C14 C15 H15 119.1 . . ?
C16 C15 H15 119.1 . . ?
C17 C16 C15 119.4(10) . . ?
C17 C16 H16 120.3 . . ?
C15 C16 H16 120.3 . . ?
C18 C17 C16 119.4(9) . . ?
C18 C17 H17 120.3 . . ?
C16 C17 H17 120.3 . . ?
C17 C18 C20 120.4(9) . . ?
C17 C18 C19 118.9(9) . . ?
C20 C18 C19 120.8(9) . . ?
O7 C19 O8 125.4(9) . . ?
O7 C19 C18 119.1(8) . . ?
O8 C19 C18 115.5(8) . . ?
C14 C20 C18 120.4(9) . . ?
C14 C20 H20 119.8 . . ?
C18 C20 H20 119.8 . . ?
O3 C21 O2 128.3(9) . . ?
O3 C21 C22 116.3(9) . . ?
O2 C21 C22 115.3(8) . . ?
O3 C21 Yb2 42.3(5) . . ?
O2 C21 Yb2 168.6(7) . . ?
C22 C21 Yb2 74.4(5) . . ?
O3 C21 Yb1 168.6(7) . . ?
O2 C21 Yb1 40.6(5) . . ?
C22 C21 Yb1 74.8(5) . . ?
Yb2 C21 Yb1 148.0(4) . . ?
O1 C22 O4 126.5(10) . . ?
O1 C22 C21 116.9(9) . . ?
O4 C22 C21 116.6(8) . . ?
O1 C22 Yb2 165.5(7) . . ?
O4 C22 Yb2 39.4(4) . . ?
C21 C22 Yb2 77.3(5) . . ?
O1 C22 Yb1 40.2(5) . . ?
O4 C22 Yb1 165.1(7) . . ?
C21 C22 Yb1 77.0(5) . . ?
Yb2 C22 Yb1 152.9(4) . . ?
N3 C23 C24 124.8(10) . . ?
N3 C23 H23 117.6 . . ?
C24 C23 H23 117.6 . . ?
C25 C24 C23 118.6(10) . . ?
C25 C24 H24 120.7 . . ?
C23 C24 H24 120.7 . . ?
C24 C25 C26 119.6(10) . . ?
C24 C25 H25 120.2 . . ?
C26 C25 H25 120.2 . . ?
C25 C26 C34 117.5(10) . . ?
C25 C26 C27 123.8(10) . . ?
C34 C26 C27 118.6(10) . . ?
C28 C27 C26 122.9(10) . . ?
C28 C27 H27 118.6 . . ?
C26 C27 H27 118.6 . . ?
C27 C28 C29 120.2(10) . . ?
C27 C28 H28 119.9 . . ?
C29 C28 H28 119.9 . . ?
C30 C29 C33 118.4(9) . . ?
C30 C29 C28 122.8(10) . . ?
C33 C29 C28 118.8(9) . . ?
C31 C30 C29 118.9(10) . . ?
C31 C30 H30 120.6 . . ?
C29 C30 H30 120.6 . . ?
C30 C31 C32 119.4(10) . . ?
C30 C31 H31 120.3 . . ?
C32 C31 H31 120.3 . . ?
N4 C32 C31 123.6(9) . . ?
N4 C32 H32 118.2 . . ?
C31 C32 H32 118.2 . . ?
N4 C33 C29 123.0(8) . . ?
N4 C33 C34 117.1(8) . . ?
C29 C33 C34 119.9(9) . . ?
N3 C34 C26 123.2(9) . . ?
N3 C34 C33 117.2(8) . . ?
C26 C34 C33 119.5(9) . . ?
O10 C35 O9 122.7(9) . . ?
O10 C35 C36 119.9(9) . . ?
O9 C35 C36 117.3(9) . . ?
C41 C36 C37 119.8(9) . . ?
C41 C36 C35 121.4(9) . . ?
C37 C36 C35 118.7(9) . . ?
C38 C37 C36 119.5(10) . . ?
C38 C37 H37 120.3 . . ?
C36 C37 H37 120.3 . . ?
C39 C38 C37 120.6(11) . . ?
C39 C38 H38 119.7 . . ?
C37 C38 H38 119.7 . . ?
C38 C39 C40 120.2(10) . . ?
C38 C39 H39 119.9 . . ?
C40 C39 H39 119.9 . . ?
C41 C40 C39 118.4(9) . . ?
C41 C40 C42 121.1(9) . . ?
C39 C40 C42 120.5(9) . . ?
C36 C41 C40 121.3(9) . . ?
C36 C41 H41 119.3 . . ?
C40 C41 H41 119.3 . . ?
O12 C42 O11 125.8(9) . . ?
O12 C42 C40 117.0(9) . . ?
O11 C42 C40 117.2(8) . . ?

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
O11 Yb1 O1 C22 175.6(7) 1_654 . . . ?
O12 Yb1 O1 C22 -119.0(8) 2_764 . . . ?
O6 Yb1 O1 C22 32.1(9) . . . . ?
O2 Yb1 O1 C22 -7.0(8) . . . . ?
O5 Yb1 O1 C22 -48.7(9) . . . . ?
N1 Yb1 O1 C22 149.3(8) . . . . ?
N2 Yb1 O1 C22 80.9(8) . . . . ?
C13 Yb1 O1 C22 -10.0(10) . . . . ?
C21 Yb1 O1 C22 -4.6(7) . . . . ?
O11 Yb1 O2 C21 -178.4(7) 1_654 . . . ?
O12 Yb1 O2 C21 74.2(8) 2_764 . . . ?
O1 Yb1 O2 C21 5.3(7) . . . . ?
O6 Yb1 O2 C21 -148.0(8) . . . . ?
O5 Yb1 O2 C21 154.5(8) . . . . ?
N1 Yb1 O2 C21 -26.1(9) . . . . ?
N2 Yb1 O2 C21 -73.2(8) . . . . ?
C13 Yb1 O2 C21 -176.7(8) . . . . ?
C22 Yb1 O2 C21 2.1(7) . . . . ?
O7 Yb2 O3 C21 159.9(7) 2_854 . . . ?
O8 Yb2 O3 C21 73.6(7) 1_455 . . . ?
O9 Yb2 O3 C21 -138.1(7) . . . . ?
O4 Yb2 O3 C21 -7.7(7) . . . . ?
O13 Yb2 O3 C21 -86.0(7) . . . . ?
N4 Yb2 O3 C21 103.1(8) . . . . ?
N3 Yb2 O3 C21 -21.1(8) . . . . ?
C22 Yb2 O3 C21 -5.1(7) . . . . ?
O7 Yb2 O4 C22 -15.1(10) 2_854 . . . ?
O8 Yb2 O4 C22 -78.5(8) 1_455 . . . ?
O9 Yb2 O4 C22 127.2(7) . . . . ?
O13 Yb2 O4 C22 86.3(8) . . . . ?
O3 Yb2 O4 C22 5.5(7) . . . . ?
N4 Yb2 O4 C22 -141.2(7) . . . . ?
N3 Yb2 O4 C22 175.8(8) . . . . ?
C21 Yb2 O4 C22 1.9(7) . . . . ?
O11 Yb1 O5 C13 -85.5(6) 1_654 . . . ?
O12 Yb1 O5 C13 -171.0(6) 2_764 . . . ?
O1 Yb1 O5 C13 122.0(6) . . . . ?
O6 Yb1 O5 C13 -2.0(5) . . . . ?
O2 Yb1 O5 C13 82.1(6) . . . . ?
N1 Yb1 O5 C13 -96.9(8) . . . . ?
N2 Yb1 O5 C13 13.7(7) . . . . ?
C22 Yb1 O5 C13 105.2(6) . . . . ?
C21 Yb1 O5 C13 90.7(6) . . . . ?
O11 Yb1 O6 C13 88.1(6) 1_654 . . . ?
O12 Yb1 O6 C13 18.8(7) 2_764 . . . ?
O1 Yb1 O6 C13 -115.2(6) . . . . ?
O2 Yb1 O6 C13 -78.2(6) . . . . ?
O5 Yb1 O6 C13 2.0(5) . . . . ?
N1 Yb1 O6 C13 148.7(5) . . . . ?
N2 Yb1 O6 C13 -165.1(6) . . . . ?
C22 Yb1 O6 C13 -103.3(6) . . . . ?
C21 Yb1 O6 C13 -88.8(6) . . . . ?
O7 Yb2 O9 C35 165.0(11) 2_854 . . . ?
O8 Yb2 O9 C35 -131.3(10) 1_455 . . . ?
O4 Yb2 O9 C35 6.9(12) . . . . ?
O13 Yb2 O9 C35 48.8(10) . . . . ?
O3 Yb2 O9 C35 103.0(10) . . . . ?
N4 Yb2 O9 C35 -105.4(11) . . . . ?
N3 Yb2 O9 C35 -38.8(10) . . . . ?
C22 Yb2 O9 C35 34.8(12) . . . . ?
C21 Yb2 O9 C35 81.5(11) . . . . ?
O11 Yb1 N1 C1 -63.9(9) 1_654 . . . ?
O12 Yb1 N1 C1 21.5(9) 2_764 . . . ?
O1 Yb1 N1 C1 98.4(9) . . . . ?
O6 Yb1 N1 C1 -128.3(8) . . . . ?
O2 Yb1 N1 C1 129.1(8) . . . . ?
O5 Yb1 N1 C1 -52.1(11) . . . . ?
N2 Yb1 N1 C1 -177.9(10) . . . . ?
C13 Yb1 N1 C1 -103.9(9) . . . . ?
C22 Yb1 N1 C1 108.4(9) . . . . ?
C21 Yb1 N1 C1 119.5(8) . . . . ?
O11 Yb1 N1 C12 121.0(8) 1_654 . . . ?
O12 Yb1 N1 C12 -153.6(8) 2_764 . . . ?
O1 Yb1 N1 C12 -76.7(8) . . . . ?
O6 Yb1 N1 C12 56.7(8) . . . . ?
O2 Yb1 N1 C12 -45.9(9) . . . . ?
O5 Yb1 N1 C12 132.9(7) . . . . ?
N2 Yb1 N1 C12 7.1(7) . . . . ?
C13 Yb1 N1 C12 81.1(9) . . . . ?
C22 Yb1 N1 C12 -66.6(8) . . . . ?
C21 Yb1 N1 C12 -55.5(8) . . . . ?
O11 Yb1 N2 C10 117.9(9) 1_654 . . . ?
O12 Yb1 N2 C10 -141.7(8) 2_764 . . . ?
O1 Yb1 N2 C10 -104.0(9) . . . . ?
O6 Yb1 N2 C10 43.0(9) . . . . ?
O2 Yb1 N2 C10 -34.9(9) . . . . ?
O5 Yb1 N2 C10 29.6(10) . . . . ?
N1 Yb1 N2 C10 -179.1(10) . . . . ?
C13 Yb1 N2 C10 36.0(9) . . . . ?
C22 Yb1 N2 C10 -83.5(9) . . . . ?
C21 Yb1 N2 C10 -54.6(9) . . . . ?
O11 Yb1 N2 C11 -70.9(8) 1_654 . . . ?
O12 Yb1 N2 C11 29.4(11) 2_764 . . . ?
O1 Yb1 N2 C11 67.1(8) . . . . ?
O6 Yb1 N2 C11 -145.8(8) . . . . ?
O2 Yb1 N2 C11 136.3(8) . . . . ?
O5 Yb1 N2 C11 -159.3(7) . . . . ?
N1 Yb1 N2 C11 -8.0(7) . . . . ?
C13 Yb1 N2 C11 -152.9(8) . . . . ?
C22 Yb1 N2 C11 87.6(8) . . . . ?
C21 Yb1 N2 C11 116.5(8) . . . . ?
O7 Yb2 N3 C23 149.6(7) 2_854 . . . ?
O8 Yb2 N3 C23 -115.6(8) 1_455 . . . ?
O9 Yb2 N3 C23 104.9(8) . . . . ?
O4 Yb2 N3 C23 -42.0(8) . . . . ?
O13 Yb2 N3 C23 33.4(8) . . . . ?
O3 Yb2 N3 C23 -28.7(10) . . . . ?
N4 Yb2 N3 C23 179.5(9) . . . . ?
C22 Yb2 N3 C23 -40.6(8) . . . . ?
C21 Yb2 N3 C23 -36.8(9) . . . . ?
O7 Yb2 N3 C34 -28.3(10) 2_854 . . . ?
O8 Yb2 N3 C34 66.5(7) 1_455 . . . ?
O9 Yb2 N3 C34 -73.0(7) . . . . ?
O4 Yb2 N3 C34 140.1(8) . . . . ?
O13 Yb2 N3 C34 -144.5(7) . . . . ?
O3 Yb2 N3 C34 153.4(6) . . . . ?
N4 Yb2 N3 C34 1.6(7) . . . . ?
C22 Yb2 N3 C34 141.5(7) . . . . ?
C21 Yb2 N3 C34 145.3(7) . . . . ?
O7 Yb2 N4 C32 -14.6(7) 2_854 . . . ?
O8 Yb2 N4 C32 70.8(7) 1_455 . . . ?
O9 Yb2 N4 C32 -92.2(8) . . . . ?
O4 Yb2 N4 C32 136.6(7) . . . . ?
O13 Yb2 N4 C32 -127.3(7) . . . . ?
O3 Yb2 N4 C32 40.3(10) . . . . ?
N3 Yb2 N4 C32 -178.4(8) . . . . ?
C22 Yb2 N4 C32 119.2(8) . . . . ?
C21 Yb2 N4 C32 79.6(9) . . . . ?
O7 Yb2 N4 C33 160.6(7) 2_854 . . . ?
O8 Yb2 N4 C33 -114.0(7) 1_455 . . . ?
O9 Yb2 N4 C33 83.0(7) . . . . ?
O4 Yb2 N4 C33 -48.2(7) . . . . ?
O13 Yb2 N4 C33 47.9(8) . . . . ?
O3 Yb2 N4 C33 -144.6(6) . . . . ?
N3 Yb2 N4 C33 -3.2(6) . . . . ?
C22 Yb2 N4 C33 -65.7(8) . . . . ?
C21 Yb2 N4 C33 -105.2(7) . . . . ?
C12 N1 C1 C2 1.3(17) . . . . ?
Yb1 N1 C1 C2 -173.8(9) . . . . ?
N1 C1 C2 C3 -1.0(19) . . . . ?
C1 C2 C3 C4 -1(2) . . . . ?
C2 C3 C4 C5 -179.5(15) . . . . ?
C2 C3 C4 C12 2(2) . . . . ?
C3 C4 C5 C6 -178.2(16) . . . . ?
C12 C4 C5 C6 0(2) . . . . ?
C4 C5 C6 C7 -3(3) . . . . ?
C5 C6 C7 C8 -179.3(16) . . . . ?
C5 C6 C7 C11 5(2) . . . . ?
C11 C7 C8 C9 -2(2) . . . . ?
C6 C7 C8 C9 -178.1(15) . . . . ?
C7 C8 C9 C10 0(2) . . . . ?
C11 N2 C10 C9 1.6(18) . . . . ?
Yb1 N2 C10 C9 172.9(10) . . . . ?
C8 C9 C10 N2 0(2) . . . . ?
C10 N2 C11 C7 -3.8(17) . . . . ?
Yb1 N2 C11 C7 -175.4(9) . . . . ?
C10 N2 C11 C12 179.8(10) . . . . ?
Yb1 N2 C11 C12 8.2(13) . . . . ?
C8 C7 C11 N2 4.1(19) . . . . ?
C6 C7 C11 N2 -179.9(12) . . . . ?
C8 C7 C11 C12 -179.6(12) . . . . ?
C6 C7 C11 C12 -3.5(18) . . . . ?
C1 N1 C12 C4 0.2(16) . . . . ?
Yb1 N1 C12 C4 175.5(9) . . . . ?
C1 N1 C12 C11 178.6(10) . . . . ?
Yb1 N1 C12 C11 -6.1(13) . . . . ?
C3 C4 C12 N1 -1.9(18) . . . . ?
C5 C4 C12 N1 179.6(12) . . . . ?
C3 C4 C12 C11 179.7(11) . . . . ?
C5 C4 C12 C11 1.2(18) . . . . ?
N2 C11 C12 N1 -1.3(15) . . . . ?
C7 C11 C12 N1 -177.8(10) . . . . ?
N2 C11 C12 C4 177.1(10) . . . . ?
C7 C11 C12 C4 0.6(17) . . . . ?
Yb1 O5 C13 O6 3.6(10) . . . . ?
Yb1 O5 C13 C14 -174.8(8) . . . . ?
Yb1 O6 C13 O5 -3.7(10) . . . . ?
Yb1 O6 C13 C14 174.8(7) . . . . ?
O11 Yb1 C13 O5 89.7(6) 1_654 . . . ?
O12 Yb1 C13 O5 9.7(6) 2_764 . . . ?
O1 Yb1 C13 O5 -86.6(7) . . . . ?
O6 Yb1 C13 O5 176.5(9) . . . . ?
O2 Yb1 C13 O5 -89.5(6) . . . . ?
N1 Yb1 C13 O5 128.0(6) . . . . ?
N2 Yb1 C13 O5 -169.0(6) . . . . ?
C22 Yb1 C13 O5 -90.6(6) . . . . ?
C21 Yb1 C13 O5 -90.7(6) . . . . ?
O11 Yb1 C13 O6 -86.8(6) 1_654 . . . ?
O12 Yb1 C13 O6 -166.8(5) 2_764 . . . ?
O1 Yb1 C13 O6 96.9(7) . . . . ?
O2 Yb1 C13 O6 94.0(6) . . . . ?
O5 Yb1 C13 O6 -176.5(9) . . . . ?
N1 Yb1 C13 O6 -48.5(8) . . . . ?
N2 Yb1 C13 O6 14.5(6) . . . . ?
C22 Yb1 C13 O6 92.9(6) . . . . ?
C21 Yb1 C13 O6 92.9(6) . . . . ?
O11 Yb1 C13 C14 -154(9) 1_654 . . . ?
O12 Yb1 C13 C14 126(9) 2_764 . . . ?
O1 Yb1 C13 C14 30(9) . . . . ?
O6 Yb1 C13 C14 -67(9) . . . . ?
O2 Yb1 C13 C14 27(9) . . . . ?
O5 Yb1 C13 C14 117(9) . . . . ?
N1 Yb1 C13 C14 -115(9) . . . . ?
N2 Yb1 C13 C14 -52(9) . . . . ?
C22 Yb1 C13 C14 26(9) . . . . ?
C21 Yb1 C13 C14 26(9) . . . . ?
O5 C13 C14 C15 -166.9(10) . . . . ?
O6 C13 C14 C15 14.6(14) . . . . ?
Yb1 C13 C14 C15 79(9) . . . . ?
O5 C13 C14 C20 13.2(14) . . . . ?
O6 C13 C14 C20 -165.3(9) . . . . ?
Yb1 C13 C14 C20 -101(9) . . . . ?
C20 C14 C15 C16 4.6(16) . . . . ?
C13 C14 C15 C16 -175.2(10) . . . . ?
C14 C15 C16 C17 -1.4(18) . . . . ?
C15 C16 C17 C18 -3.4(17) . . . . ?
C16 C17 C18 C20 4.8(16) . . . . ?
C16 C17 C18 C19 -175.5(10) . . . . ?
Yb2 O7 C19 O8 111.5(17) 2_854 . . . ?
Yb2 O7 C19 C18 -71.8(19) 2_854 . . . ?
Yb2 O8 C19 O7 -40.4(16) 1_655 . . . ?
Yb2 O8 C19 C18 142.7(8) 1_655 . . . ?
C17 C18 C19 O7 -11.9(14) . . . . ?
C20 C18 C19 O7 167.7(9) . . . . ?
C17 C18 C19 O8 165.1(9) . . . . ?
C20 C18 C19 O8 -15.2(13) . . . . ?
C15 C14 C20 C18 -3.1(14) . . . . ?
C13 C14 C20 C18 176.7(8) . . . . ?
C17 C18 C20 C14 -1.6(14) . . . . ?
C19 C18 C20 C14 178.8(8) . . . . ?
Yb2 O3 C21 O2 -171.0(9) . . . . ?
Yb2 O3 C21 C22 8.8(11) . . . . ?
Yb2 O3 C21 Yb1 -159(3) . . . . ?
Yb1 O2 C21 O3 176.3(8) . . . . ?
Yb1 O2 C21 C22 -3.5(12) . . . . ?
Yb1 O2 C21 Yb2 144(3) . . . . ?
O7 Yb2 C21 O3 -19.6(7) 2_854 . . . ?
O8 Yb2 C21 O3 -102.1(7) 1_455 . . . ?
O9 Yb2 C21 O3 57.0(8) . . . . ?
O4 Yb2 C21 O3 170.4(8) . . . . ?
O13 Yb2 C21 O3 88.7(7) . . . . ?
N4 Yb2 C21 O3 -110.7(7) . . . . ?
N3 Yb2 C21 O3 164.0(6) . . . . ?
C22 Yb2 C21 O3 171.8(11) . . . . ?
O7 Yb2 C21 O2 19(4) 2_854 . . . ?
O8 Yb2 C21 O2 -64(4) 1_455 . . . ?
O9 Yb2 C21 O2 95(4) . . . . ?
O4 Yb2 C21 O2 -151(4) . . . . ?
O13 Yb2 C21 O2 127(4) . . . . ?
O3 Yb2 C21 O2 38(3) . . . . ?
N4 Yb2 C21 O2 -72(4) . . . . ?
N3 Yb2 C21 O2 -158(4) . . . . ?
C22 Yb2 C21 O2 -150(4) . . . . ?
O7 Yb2 C21 C22 168.5(6) 2_854 . . . ?
O8 Yb2 C21 C22 86.1(6) 1_455 . . . ?
O9 Yb2 C21 C22 -114.9(6) . . . . ?
O4 Yb2 C21 C22 -1.4(5) . . . . ?
O13 Yb2 C21 C22 -83.1(6) . . . . ?
O3 Yb2 C21 C22 -171.8(11) . . . . ?
N4 Yb2 C21 C22 77.4(7) . . . . ?
N3 Yb2 C21 C22 -7.9(6) . . . . ?
O7 Yb2 C21 Yb1 152.6(6) 2_854 . . . ?
O8 Yb2 C21 Yb1 70.2(6) 1_455 . . . ?
O9 Yb2 C21 Yb1 -130.8(6) . . . . ?
O4 Yb2 C21 Yb1 -17.4(5) . . . . ?
O13 Yb2 C21 Yb1 -99.0(7) . . . . ?
O3 Yb2 C21 Yb1 172.2(12) . . . . ?
N4 Yb2 C21 Yb1 61.5(9) . . . . ?
N3 Yb2 C21 Yb1 -23.8(8) . . . . ?
C22 Yb2 C21 Yb1 -15.9(5) . . . . ?
O11 Yb1 C21 O3 -9(5) 1_654 . . . ?
O12 Yb1 C21 O3 -125(4) 2_764 . . . ?
O1 Yb1 C21 O3 172(4) . . . . ?
O6 Yb1 C21 O3 16(4) . . . . ?
O2 Yb1 C21 O3 -15(3) . . . . ?
O5 Yb1 C21 O3 -40(4) . . . . ?
N1 Yb1 C21 O3 144(4) . . . . ?
N2 Yb1 C21 O3 89(4) . . . . ?
C13 Yb1 C21 O3 -12(4) . . . . ?
C22 Yb1 C21 O3 168(4) . . . . ?
O11 Yb1 C21 O2 6(3) 1_654 . . . ?
O12 Yb1 C21 O2 -109.8(8) 2_764 . . . ?
O1 Yb1 C21 O2 -173.4(9) . . . . ?
O6 Yb1 C21 O2 31.1(8) . . . . ?
O5 Yb1 C21 O2 -24.6(8) . . . . ?
N1 Yb1 C21 O2 159.4(7) . . . . ?
N2 Yb1 C21 O2 103.5(8) . . . . ?
C13 Yb1 C21 O2 3.2(8) . . . . ?
C22 Yb1 C21 O2 -176.7(11) . . . . ?
O11 Yb1 C21 C22 -177.4(19) 1_654 . . . ?
O12 Yb1 C21 C22 66.9(6) 2_764 . . . ?
O1 Yb1 C21 C22 3.3(5) . . . . ?
O6 Yb1 C21 C22 -152.2(6) . . . . ?
O2 Yb1 C21 C22 176.7(11) . . . . ?
O5 Yb1 C21 C22 152.1(6) . . . . ?
N1 Yb1 C21 C22 -23.9(6) . . . . ?
N2 Yb1 C21 C22 -79.8(6) . . . . ?
C13 Yb1 C21 C22 179.9(6) . . . . ?
O11 Yb1 C21 Yb2 -161.5(17) 1_654 . . . ?
O12 Yb1 C21 Yb2 82.8(7) 2_764 . . . ?
O1 Yb1 C21 Yb2 19.2(6) . . . . ?
O6 Yb1 C21 Yb2 -136.3(7) . . . . ?
O2 Yb1 C21 Yb2 -167.4(13) . . . . ?
O5 Yb1 C21 Yb2 168.0(7) . . . . ?
N1 Yb1 C21 Yb2 -8.0(8) . . . . ?
N2 Yb1 C21 Yb2 -63.9(7) . . . . ?
C13 Yb1 C21 Yb2 -164.2(7) . . . . ?
C22 Yb1 C21 Yb2 15.9(5) . . . . ?
Yb1 O1 C22 O4 -170.7(8) . . . . ?
Yb1 O1 C22 C21 7.9(12) . . . . ?
Yb1 O1 C22 Yb2 -159(3) . . . . ?
Yb2 O4 C22 O1 175.2(8) . . . . ?
Yb2 O4 C22 C21 -3.3(12) . . . . ?
Yb2 O4 C22 Yb1 151(3) . . . . ?
O3 C21 C22 O1 177.3(9) . . . . ?
O2 C21 C22 O1 -2.8(14) . . . . ?
Yb2 C21 C22 O1 -176.6(10) . . . . ?
Yb1 C21 C22 O1 -5.2(8) . . . . ?
O3 C21 C22 O4 -4.0(14) . . . . ?
O2 C21 C22 O4 175.9(9) . . . . ?
Yb2 C21 C22 O4 2.2(8) . . . . ?
Yb1 C21 C22 O4 173.5(9) . . . . ?
O3 C21 C22 Yb2 -6.1(8) . . . . ?
O2 C21 C22 Yb2 173.7(9) . . . . ?
Yb1 C21 C22 Yb2 171.3(3) . . . . ?
O3 C21 C22 Yb1 -177.5(9) . . . . ?
O2 C21 C22 Yb1 2.4(8) . . . . ?
Yb2 C21 C22 Yb1 -171.3(3) . . . . ?
O7 Yb2 C22 O1 154(3) 2_854 . . . ?
O8 Yb2 C22 O1 81(3) 1_455 . . . ?
O9 Yb2 C22 O1 -90(3) . . . . ?
O4 Yb2 C22 O1 -15(3) . . . . ?
O13 Yb2 C22 O1 -103(3) . . . . ?
O3 Yb2 C22 O1 171(3) . . . . ?
N4 Yb2 C22 O1 34(3) . . . . ?
N3 Yb2 C22 O1 -19(3) . . . . ?
C21 Yb2 C22 O1 168(3) . . . . ?
O7 Yb2 C22 O4 169.3(7) 2_854 . . . ?
O8 Yb2 C22 O4 96.7(8) 1_455 . . . ?
O9 Yb2 C22 O4 -74.2(9) . . . . ?
O13 Yb2 C22 O4 -87.9(8) . . . . ?
O3 Yb2 C22 O4 -173.2(9) . . . . ?
N4 Yb2 C22 O4 49.2(9) . . . . ?
N3 Yb2 C22 O4 -3.9(8) . . . . ?
C21 Yb2 C22 O4 -176.9(11) . . . . ?
O7 Yb2 C22 C21 -13.8(7) 2_854 . . . ?
O8 Yb2 C22 C21 -86.3(6) 1_455 . . . ?
O9 Yb2 C22 C21 102.8(6) . . . . ?
O4 Yb2 C22 C21 176.9(11) . . . . ?
O13 Yb2 C22 C21 89.1(6) . . . . ?
O3 Yb2 C22 C21 3.8(5) . . . . ?
N4 Yb2 C22 C21 -133.8(5) . . . . ?
N3 Yb2 C22 C21 173.0(6) . . . . ?
O7 Yb2 C22 Yb1 5.0(9) 2_854 . . . ?
O8 Yb2 C22 Yb1 -67.5(8) 1_455 . . . ?
O9 Yb2 C22 Yb1 121.6(7) . . . . ?
O4 Yb2 C22 Yb1 -164.3(14) . . . . ?
O13 Yb2 C22 Yb1 107.9(8) . . . . ?
O3 Yb2 C22 Yb1 22.6(7) . . . . ?
N4 Yb2 C22 Yb1 -115.0(8) . . . . ?
N3 Yb2 C22 Yb1 -168.2(8) . . . . ?
C21 Yb2 C22 Yb1 18.8(6) . . . . ?
O11 Yb1 C22 O1 -8.2(13) 1_654 . . . ?
O12 Yb1 C22 O1 58.4(8) 2_764 . . . ?
O6 Yb1 C22 O1 -155.3(7) . . . . ?
O2 Yb1 C22 O1 171.2(9) . . . . ?
O5 Yb1 C22 O1 141.0(8) . . . . ?
N1 Yb1 C22 O1 -28.9(8) . . . . ?
N2 Yb1 C22 O1 -94.0(8) . . . . ?
C13 Yb1 C22 O1 172.6(8) . . . . ?
C21 Yb1 C22 O1 172.8(11) . . . . ?
O11 Yb1 C22 O4 22(3) 1_654 . . . ?
O12 Yb1 C22 O4 89(3) 2_764 . . . ?
O1 Yb1 C22 O4 30(3) . . . . ?
O6 Yb1 C22 O4 -125(3) . . . . ?
O2 Yb1 C22 O4 -158(3) . . . . ?
O5 Yb1 C22 O4 171(3) . . . . ?
N1 Yb1 C22 O4 2(3) . . . . ?
N2 Yb1 C22 O4 -64(3) . . . . ?
C13 Yb1 C22 O4 -157(3) . . . . ?
C21 Yb1 C22 O4 -157(3) . . . . ?
O11 Yb1 C22 C21 179.1(7) 1_654 . . . ?
O12 Yb1 C22 C21 -114.3(6) 2_764 . . . ?
O1 Yb1 C22 C21 -172.8(11) . . . . ?
O6 Yb1 C22 C21 32.0(6) . . . . ?
O2 Yb1 C22 C21 -1.5(5) . . . . ?
O5 Yb1 C22 C21 -31.7(6) . . . . ?
N1 Yb1 C22 C21 158.4(6) . . . . ?
N2 Yb1 C22 C21 93.3(6) . . . . ?
C13 Yb1 C22 C21 -0.1(7) . . . . ?
O11 Yb1 C22 Yb2 160.2(6) 1_654 . . . ?
O12 Yb1 C22 Yb2 -133.2(8) 2_764 . . . ?
O1 Yb1 C22 Yb2 168.4(14) . . . . ?
O6 Yb1 C22 Yb2 13.1(9) . . . . ?
O2 Yb1 C22 Yb2 -20.4(7) . . . . ?
O5 Yb1 C22 Yb2 -50.6(9) . . . . ?
N1 Yb1 C22 Yb2 139.5(8) . . . . ?
N2 Yb1 C22 Yb2 74.4(8) . . . . ?
C13 Yb1 C22 Yb2 -19.0(9) . . . . ?
C21 Yb1 C22 Yb2 -18.8(6) . . . . ?
C34 N3 C23 C24 -1.7(16) . . . . ?
Yb2 N3 C23 C24 -179.7(9) . . . . ?
N3 C23 C24 C25 2(2) . . . . ?
C23 C24 C25 C26 -1(2) . . . . ?
C24 C25 C26 C34 1.6(18) . . . . ?
C24 C25 C26 C27 178.4(12) . . . . ?
C25 C26 C27 C28 -177.1(12) . . . . ?
C34 C26 C27 C28 -0.4(18) . . . . ?
C26 C27 C28 C29 -0.4(19) . . . . ?
C27 C28 C29 C30 178.6(11) . . . . ?
C27 C28 C29 C33 0.3(17) . . . . ?
C33 C29 C30 C31 -3.7(16) . . . . ?
C28 C29 C30 C31 178.0(10) . . . . ?
C29 C30 C31 C32 1.7(17) . . . . ?
C33 N4 C32 C31 -0.5(15) . . . . ?
Yb2 N4 C32 C31 174.8(8) . . . . ?
C30 C31 C32 N4 0.5(18) . . . . ?
C32 N4 C33 C29 -1.6(14) . . . . ?
Yb2 N4 C33 C29 -177.1(7) . . . . ?
C32 N4 C33 C34 179.9(9) . . . . ?
Yb2 N4 C33 C34 4.4(11) . . . . ?
C30 C29 C33 N4 3.8(15) . . . . ?
C28 C29 C33 N4 -177.8(9) . . . . ?
C30 C29 C33 C34 -177.8(9) . . . . ?
C28 C29 C33 C34 0.6(15) . . . . ?
C23 N3 C34 C26 1.9(15) . . . . ?
Yb2 N3 C34 C26 179.9(7) . . . . ?
C23 N3 C34 C33 -178.2(9) . . . . ?
Yb2 N3 C34 C33 -0.1(11) . . . . ?
C25 C26 C34 N3 -1.9(16) . . . . ?
C27 C26 C34 N3 -178.8(10) . . . . ?
C25 C26 C34 C33 178.1(10) . . . . ?
C27 C26 C34 C33 1.3(15) . . . . ?
N4 C33 C34 N3 -2.8(13) . . . . ?
C29 C33 C34 N3 178.7(9) . . . . ?
N4 C33 C34 C26 177.1(9) . . . . ?
C29 C33 C34 C26 -1.4(14) . . . . ?
Yb2 O9 C35 O10 -37.5(17) . . . . ?
Yb2 O9 C35 C36 145.8(8) . . . . ?
O10 C35 C36 C41 -7.1(15) . . . . ?
O9 C35 C36 C41 169.7(9) . . . . ?
O10 C35 C36 C37 176.4(10) . . . . ?
O9 C35 C36 C37 -6.8(15) . . . . ?
C41 C36 C37 C38 -0.1(18) . . . . ?
C35 C36 C37 C38 176.5(11) . . . . ?
C36 C37 C38 C39 -2(2) . . . . ?
C37 C38 C39 C40 4(2) . . . . ?
C38 C39 C40 C41 -2.8(18) . . . . ?
C38 C39 C40 C42 179.4(11) . . . . ?
C37 C36 C41 C40 1.0(16) . . . . ?
C35 C36 C41 C40 -175.4(9) . . . . ?
C39 C40 C41 C36 0.4(16) . . . . ?
C42 C40 C41 C36 178.1(9) . . . . ?
Yb1 O12 C42 O11 24(2) 2_764 . . . ?
Yb1 O12 C42 C40 -155.4(12) 2_764 . . . ?
Yb1 O11 C42 O12 50(3) 1_456 . . . ?
Yb1 O11 C42 C40 -130(3) 1_456 . . . ?
C41 C40 C42 O12 22.9(14) . . . . ?
C39 C40 C42 O12 -159.5(10) . . . . ?
C41 C40 C42 O11 -157.0(9) . . . . ?
C39 C40 C42 O11 20.7(15) . . . . ?

_diffrn_measured_fraction_theta_max 0.992
_diffrn_reflns_theta_full        25.01
_diffrn_measured_fraction_theta_full 0.992
_refine_diff_density_max         0.971
_refine_diff_density_min         -0.872
_refine_diff_density_rms         0.195
