# Electronic Supplementary Material (ESI) for ChemComm.
# 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_added_by_encifer
_database_code_depnum_ccdc_archive 'CCDC 1037592'
_audit_update_record             
;
2014-12-04 deposited with the CCDC.
2015-03-06 downloaded from the CCDC.
;


_audit_creation_method           SHELXL-97
_chemical_name_systematic        
; 
 ? 
;
_chemical_name_common            ?
_chemical_melting_point          ?
_chemical_formula_moiety         ?
_chemical_formula_sum            'C36 H52 Eu2 N8 O22'
_chemical_formula_weight         1252.78

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'
Eu Eu -0.1578 3.6682 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
N N 0.0061 0.0033 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
O O 0.0106 0.0060 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'

_symmetry_cell_setting           Triclinic
_symmetry_space_group_name_H-M   P-1

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

_cell_length_a                   13.2205(6)
_cell_length_b                   13.9973(8)
_cell_length_c                   14.9000(8)
_cell_angle_alpha                99.680(5)
_cell_angle_beta                 91.009(4)
_cell_angle_gamma                117.103(5)
_cell_volume                     2405.5(2)
_cell_formula_units_Z            2
_cell_measurement_temperature    122.5(8)
_cell_measurement_reflns_used    9167
_cell_measurement_theta_min      2.3715
_cell_measurement_theta_max      29.1192

_exptl_crystal_description       needle
_exptl_crystal_colour            colorless
_exptl_crystal_size_max          0.22
_exptl_crystal_size_mid          0.19
_exptl_crystal_size_min          0.18
_exptl_crystal_density_meas      none
_exptl_crystal_density_diffrn    1.730
_exptl_crystal_density_method    'not measured'
_exptl_crystal_F_000             1252
_exptl_absorpt_coefficient_mu    2.670
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_correction_T_min  0.5911
_exptl_absorpt_correction_T_max  0.6450
_exptl_absorpt_process_details   
;
CrysAlisPro, Agilent Technologies,
Version 1.171.35.19 (release 27-10-2011 CrysAlis171 .NET)
(compiled Oct 27 2011,15:02:11)
Empirical absorption correction using spherical harmonics,
 implemented in SCALE3 ABSPACK scaling algorithm.
;
_exptl_special_details           
; 
 ? 
;

_diffrn_ambient_temperature      122.5(8)
_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  'SuperNova, Single source at offset), Eos'
_diffrn_measurement_method       'ω scans'
_diffrn_detector_area_resol_mean 16.2116
_diffrn_standards_number         ?
_diffrn_standards_interval_count ?
_diffrn_standards_interval_time  ?
_diffrn_standards_decay_%        ?
_diffrn_reflns_number            14209
_diffrn_reflns_av_R_equivalents  0.0268
_diffrn_reflns_av_sigmaI/netI    0.0528
_diffrn_reflns_limit_h_min       -15
_diffrn_reflns_limit_h_max       14
_diffrn_reflns_limit_k_min       -16
_diffrn_reflns_limit_k_max       16
_diffrn_reflns_limit_l_min       -17
_diffrn_reflns_limit_l_max       17
_diffrn_reflns_theta_min         2.38
_diffrn_reflns_theta_max         25.01
_reflns_number_total             8406
_reflns_number_gt                7034
_reflns_threshold_expression     >2sigma(I)

_computing_data_collection       
;
CrysAlisPro, Agilent Technologies,
Version 1.171.35.19 (release 27-10-2011 CrysAlis171 .NET)
(compiled Oct 27 2011,15:02:11)
;
_computing_cell_refinement       
;
CrysAlisPro, Agilent Technologies,
Version 1.171.35.19 (release 27-10-2011 CrysAlis171 .NET)
(compiled Oct 27 2011,15:02:11)
;
_computing_data_reduction        
;
CrysAlisPro, Agilent Technologies,
Version 1.171.35.19 (release 27-10-2011 CrysAlis171 .NET)
(compiled Oct 27 2011,15:02:11)
;
_computing_structure_solution    'SHELXS-97 (Sheldrick, 1990)'
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 1997)'
_computing_molecular_graphics    'Bruker SHELXTL'
_computing_publication_material  'Bruker SHELXTL'

_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.
DFIX 1.47 0.01 C3A N1 C3B N1
DFIX 1.47 0.01 C2A N1 C2B N1
DELU 0.01 0.001 N5 C20
SIMU 0.01 0.001 1.7 N5 C20
ISOR 0.01 0.001 C14 C34
ISOR 0.01 0.001 C3A C3B
ISOR 0.01 0.001 N1
ISOR 0.01 0.001 C2A C2B
ISOR 0.01 0.001 O22
ISOR 0.01 0.001 O21
ISOR 0.01 0.001 C20
ISOR 0.01 0.001 C36
ISOR 0.005 0.001 C29
EADP C3B C3A
EADP C2B C2A 
;

_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)+(0.0198P)²+11.7029P] where P=(Fo²+2Fc²)/3'
_atom_sites_solution_primary     direct
_atom_sites_solution_secondary   difmap
_atom_sites_solution_hydrogens   geom
_refine_ls_hydrogen_treatment    Constrained
_refine_ls_extinction_method     none
_refine_ls_extinction_coef       ?
_refine_ls_number_reflns         8406
_refine_ls_number_parameters     638
_refine_ls_number_restraints     83
_refine_ls_R_factor_all          0.0477
_refine_ls_R_factor_gt           0.0377
_refine_ls_wR_factor_ref         0.0842
_refine_ls_wR_factor_gt          0.0780
_refine_ls_goodness_of_fit_ref   1.070
_refine_ls_restrained_S_all      1.075
_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
Eu1 Eu 0.48974(2) -0.14677(2) 0.459634(18) 0.00778(8) Uani 1 1 d . . .
Eu2 Eu 1.15523(2) 0.14805(2) 0.038690(18) 0.00862(8) Uani 1 1 d . . .
C1 C 0.6678(6) -0.2634(6) 0.4083(5) 0.0284(16) Uani 1 1 d . A .
H1 H 0.709(6) -0.246(6) 0.474(5) 0.034 Uiso 1 1 d . . .
C2A C 0.678(2) -0.331(2) 0.2511(7) 0.055(3) Uani 0.48(2) 1 d PDU A 1
H2AA H 0.5995 -0.3785 0.2290 0.083 Uiso 0.48(2) 1 calc PR A 1
H2AB H 0.7253 -0.3584 0.2199 0.083 Uiso 0.48(2) 1 calc PR A 1
H2AC H 0.6990 -0.2588 0.2396 0.083 Uiso 0.48(2) 1 calc PR A 1
C2B C 0.6228(18) -0.3771(18) 0.2586(10) 0.055(3) Uani 0.52(2) 1 d PDU A 2
H2BA H 0.5475 -0.3852 0.2659 0.083 Uiso 0.52(2) 1 calc PR A 2
H2BB H 0.6183 -0.4478 0.2380 0.083 Uiso 0.52(2) 1 calc PR A 2
H2BC H 0.6559 -0.3321 0.2144 0.083 Uiso 0.52(2) 1 calc PR A 2
C3A C 0.7884(9) -0.3467(12) 0.3796(11) 0.037(3) Uani 0.68(2) 1 d PDU A 1
H3AA H 0.8512 -0.3174 0.3437 0.056 Uiso 0.68(2) 1 calc PR A 1
H3AB H 0.7605 -0.4242 0.3726 0.056 Uiso 0.68(2) 1 calc PR A 1
H3AC H 0.8136 -0.3125 0.4429 0.056 Uiso 0.68(2) 1 calc PR A 1
C3B C 0.761(2) -0.384(2) 0.340(2) 0.037(3) Uani 0.32(2) 1 d PDU A 2
H3BA H 0.8216 -0.3518 0.3895 0.056 Uiso 0.32(2) 1 calc PR A 2
H3BB H 0.7939 -0.3795 0.2827 0.056 Uiso 0.32(2) 1 calc PR A 2
H3BC H 0.7127 -0.4590 0.3425 0.056 Uiso 0.32(2) 1 calc PR A 2
C4 C 0.4541(5) -0.2242(5) 0.2338(4) 0.0179(13) Uani 1 1 d . A .
H4 H 0.5327 -0.1797 0.2396 0.022 Uiso 1 1 calc R . .
C5 C 0.4660(6) -0.2700(6) 0.0715(4) 0.0318(17) Uani 1 1 d . . .
H5A H 0.4385 -0.2401 0.0293 0.048 Uiso 1 1 calc R . .
H5B H 0.4557 -0.3408 0.0422 0.048 Uiso 1 1 calc R . .
H5C H 0.5457 -0.2222 0.0905 0.048 Uiso 1 1 calc R . .
C6 C 0.2788(5) -0.3534(6) 0.1369(4) 0.0291(16) Uani 1 1 d . . .
H6A H 0.2475 -0.3559 0.1947 0.044 Uiso 1 1 calc R . .
H6B H 0.2649 -0.4257 0.1082 0.044 Uiso 1 1 calc R . .
H6C H 0.2430 -0.3267 0.0981 0.044 Uiso 1 1 calc R . .
C7 C 0.6428(5) 0.0765(4) 0.3667(3) 0.0107(12) Uani 1 1 d . A .
C8 C 0.7410(4) 0.1293(4) 0.3120(4) 0.0103(11) Uani 1 1 d . . .
C9 C 0.8113(5) 0.2437(4) 0.3345(4) 0.0133(12) Uani 1 1 d . . .
H9 H 0.7941 0.2865 0.3801 0.016 Uiso 1 1 calc R . .
C10 C 0.9049(5) 0.2911(4) 0.2888(4) 0.0116(12) Uani 1 1 d . . .
C11 C 0.9311(4) 0.2280(4) 0.2190(4) 0.0125(12) Uani 1 1 d . . .
H11 H 0.9964 0.2604 0.1898 0.015 Uiso 1 1 calc R . .
C12 C 0.8584(5) 0.1171(4) 0.1943(4) 0.0119(12) Uani 1 1 d . . .
C13 C 0.7631(5) 0.0672(4) 0.2414(3) 0.0103(11) Uani 1 1 d . . .
H13 H 0.7150 -0.0078 0.2249 0.012 Uiso 1 1 calc R . .
C14 C 0.8781(5) 0.0479(5) 0.1147(4) 0.0140(12) Uani 1 1 d U . .
C15 C 1.3717(5) 0.1017(6) 0.0872(4) 0.0261(15) Uani 1 1 d . . .
H15 H 1.3301 0.0366 0.0452 0.031 Uiso 1 1 calc R . .
C16 C 1.4767(8) 0.0146(7) 0.1393(6) 0.059(3) Uani 1 1 d . . .
H16A H 1.4184 -0.0476 0.0981 0.070 Uiso 1 1 calc R . .
H16B H 1.4757 -0.0017 0.1994 0.070 Uiso 1 1 calc R . .
H16C H 1.5500 0.0314 0.1183 0.070 Uiso 1 1 calc R . .
C17 C 1.5226(6) 0.2051(6) 0.2119(5) 0.043(2) Uani 1 1 d . . .
H17A H 1.5065 0.2635 0.2032 0.064 Uiso 1 1 calc R . .
H17B H 1.6022 0.2272 0.2075 0.064 Uiso 1 1 calc R . .
H17C H 1.5040 0.1885 0.2712 0.064 Uiso 1 1 calc R . .
C18 C 1.2752(5) 0.2842(5) 0.2585(4) 0.0237(15) Uani 1 1 d . . .
H18 H 1.3075 0.2409 0.2720 0.028 Uiso 1 1 calc R . .
C19 C 1.3972(6) 0.4196(6) 0.3890(5) 0.042(2) Uani 1 1 d . . .
H19A H 1.3633 0.4317 0.4433 0.063 Uiso 1 1 calc R . .
H19B H 1.4622 0.4867 0.3833 0.063 Uiso 1 1 calc R . .
H19C H 1.4210 0.3649 0.3928 0.063 Uiso 1 1 calc R . .
C20 C 1.2660(6) 0.4528(6) 0.2935(5) 0.0345(12) Uani 1 1 d U . .
H20A H 1.2374 0.4355 0.2301 0.052 Uiso 1 1 calc R . .
H20B H 1.3239 0.5278 0.3091 0.052 Uiso 1 1 calc R . .
H20C H 1.2045 0.4420 0.3307 0.052 Uiso 1 1 calc R . .
C21 C 0.9478(5) 0.4708(5) 0.3677(4) 0.0179(13) Uani 1 1 d . . .
H21A H 0.9469 0.4533 0.4281 0.021 Uiso 1 1 calc R . .
H21B H 0.8722 0.4595 0.3481 0.021 Uiso 1 1 calc R . .
C22 C 1.0344(5) 0.5874(4) 0.3707(4) 0.0154(12) Uani 1 1 d . . .
H22A H 1.0289 0.6346 0.4239 0.018 Uiso 1 1 calc R . .
H22B H 1.1109 0.5945 0.3744 0.018 Uiso 1 1 calc R . .
C23 C 1.0756(4) 0.7262(4) 0.2821(4) 0.0099(11) Uani 1 1 d . . .
C24 C 1.0391(5) 0.7620(5) 0.2123(4) 0.0127(12) Uani 1 1 d . . .
H24 H 0.9743 0.7130 0.1725 0.015 Uiso 1 1 calc R . .
C25 C 1.0981(4) 0.8697(4) 0.2012(4) 0.0101(11) Uani 1 1 d . . .
C26 C 1.1944(5) 0.9447(4) 0.2631(4) 0.0135(12) Uani 1 1 d . . .
H26 H 1.2334 1.0177 0.2577 0.016 Uiso 1 1 calc R . .
C27 C 1.2300(5) 0.9081(4) 0.3319(3) 0.0102(11) Uani 1 1 d . . .
C28 C 1.1730(5) 0.7992(4) 0.3418(4) 0.0117(12) Uani 1 1 d . . .
H28 H 1.1995 0.7757 0.3874 0.014 Uiso 1 1 calc R . .
C29 C 1.3302(4) 0.9882(4) 0.3999(4) 0.0104(11) Uani 1 1 d U . .
C30 C 1.0585(5) 0.9103(5) 0.1270(4) 0.0138(12) Uani 1 1 d . . .
C31 C 1.0572(9) 0.1196(9) 0.3646(6) 0.063(3) Uani 1 1 d . . .
H31 H 1.0817 0.1016 0.3091 0.075 Uiso 1 1 calc R . .
C32 C 0.9093(7) 0.0606(9) 0.4686(6) 0.058(3) Uani 1 1 d . . .
H32A H 0.9132 0.0129 0.5063 0.069 Uiso 1 1 calc R . .
H32B H 0.8308 0.0424 0.4537 0.069 Uiso 1 1 calc R . .
H32C H 0.9501 0.1352 0.5010 0.069 Uiso 1 1 calc R . .
C33 C 0.8979(9) -0.0585(8) 0.3260(6) 0.065(3) Uani 1 1 d . . .
H33A H 0.9279 -0.0539 0.2677 0.079 Uiso 1 1 calc R . .
H33B H 0.8179 -0.0791 0.3180 0.079 Uiso 1 1 calc R . .
H33C H 0.9082 -0.1123 0.3516 0.079 Uiso 1 1 calc R . .
C34 C 0.8433(10) 0.2580(10) 0.0295(6) 0.069(3) Uani 1 1 d U . .
H34 H 0.8950 0.2366 0.0033 0.082 Uiso 1 1 calc R . .
C35 C 0.8086(7) 0.3968(7) 0.1143(5) 0.046(2) Uani 1 1 d . . .
H35A H 0.7308 0.3402 0.1022 0.070 Uiso 1 1 calc R . .
H35B H 0.8159 0.4588 0.0901 0.070 Uiso 1 1 calc R . .
H35C H 0.8302 0.4184 0.1792 0.070 Uiso 1 1 calc R . .
C36 C 1.0066(8) 0.4369(8) 0.0905(7) 0.068(3) Uani 1 1 d U . .
H36A H 1.0326 0.4445 0.1531 0.082 Uiso 1 1 calc R . .
H36B H 1.0187 0.5067 0.0794 0.082 Uiso 1 1 calc R . .
H36C H 1.0486 0.4103 0.0507 0.082 Uiso 1 1 calc R . .
N1 N 0.6952(6) -0.3246(6) 0.3479(4) 0.0501(19) Uani 1 1 d DU . .
N2 N 0.4020(4) -0.2803(4) 0.1518(3) 0.0197(12) Uani 1 1 d . . .
N3 N 0.3408(5) -0.3604(4) 0.5058(4) 0.0233(12) Uani 1 1 d . A .
N4 N 1.4550(5) 0.1095(5) 0.1425(4) 0.0310(14) Uani 1 1 d . . .
N5 N 1.3141(5) 0.3824(5) 0.3096(4) 0.0310(11) Uani 1 1 d U . .
N6 N 1.2623(5) 0.3624(4) -0.0163(4) 0.0292(13) Uani 1 1 d . . .
N7 N 0.9583(5) 0.0481(6) 0.3879(4) 0.0375(16) Uani 1 1 d . . .
N8 N 0.8811(6) 0.3569(6) 0.0719(4) 0.0459(17) Uani 1 1 d . . .
O1 O 0.5983(4) -0.2311(4) 0.3905(3) 0.0284(11) Uani 1 1 d . . .
O2 O 0.4038(3) -0.2276(3) 0.3038(3) 0.0195(9) Uani 1 1 d . . .
O3 O 0.4471(4) -0.3129(3) 0.5285(3) 0.0268(10) Uani 1 1 d . . .
O4 O 0.3051(3) -0.3184(3) 0.4522(3) 0.0236(10) Uani 1 1 d . . .
O5 O 0.2756(4) -0.4424(4) 0.5337(4) 0.0416(13) Uani 1 1 d . . .
O6 O 0.6090(3) -0.0238(3) 0.3689(3) 0.0154(9) Uani 1 1 d . . .
O7 O 0.6015(3) 0.1354(3) 0.4064(2) 0.0136(8) Uani 1 1 d . . .
O8 O 0.7997(3) -0.0472(3) 0.0842(3) 0.0182(9) Uani 1 1 d . . .
O9 O 0.9732(3) 0.0893(4) 0.0823(3) 0.0217(10) Uani 1 1 d . . .
O10 O 1.1985(4) 0.2446(4) 0.1936(3) 0.0244(10) Uani 1 1 d . . .
O11 O 1.3450(3) 0.1773(3) 0.0880(3) 0.0192(9) Uani 1 1 d . . .
O12 O 1.2899(4) 0.2893(4) -0.0453(3) 0.0291(11) Uani 1 1 d . . .
O13 O 1.1948(4) 0.3441(4) 0.0440(3) 0.0358(12) Uani 1 1 d . . .
O14 O 1.2996(6) 0.4485(4) -0.0453(4) 0.0550(16) Uani 1 1 d . . .
O15 O 0.9787(3) 0.4025(3) 0.3047(3) 0.0182(9) Uani 1 1 d . . .
O16 O 1.0113(3) 0.6184(3) 0.2878(3) 0.0149(9) Uani 1 1 d . . .
O17 O 0.9588(3) 0.8504(3) 0.0882(3) 0.0193(9) Uani 1 1 d . . .
O18 O 1.1279(3) 1.0023(3) 0.1116(3) 0.0188(9) Uani 1 1 d . . .
O19 O 1.3883(3) 0.9535(3) 0.4412(2) 0.0119(8) Uani 1 1 d . . .
O20 O 1.3532(3) 1.0877(3) 0.4188(3) 0.0163(9) Uani 1 1 d . . .
O21 O 1.1154(7) 0.2067(7) 0.4137(5) 0.088(2) Uani 1 1 d U . .
O22 O 0.7412(6) 0.1889(6) 0.0214(5) 0.076(2) Uani 1 1 d U . .


_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 O7 2.370(4) 2_656 ?
Eu1 O6 2.379(4) . ?
Eu1 O19 2.382(4) 1_445 ?
Eu1 O1 2.389(4) . ?
Eu1 O2 2.412(4) . ?
Eu1 O20 2.465(4) 2_766 ?
Eu1 O4 2.510(4) . ?
Eu1 O3 2.531(4) . ?
Eu1 O19 2.588(4) 2_766 ?
Eu1 C29 2.902(5) 2_766 ?
Eu1 N3 2.944(5) . ?
Eu1 Eu1 3.9640(6) 2_656 ?
Eu2 O9 2.307(4) . ?
Eu2 O18 2.358(4) 1_545 ?
Eu2 O8 2.374(4) 2_755 ?
Eu2 O10 2.383(4) . ?
Eu2 O17 2.406(4) 2_765 ?
Eu2 O11 2.429(4) . ?
Eu2 O12 2.519(5) . ?
Eu2 O13 2.535(5) . ?
Eu2 N6 2.945(6) . ?
Eu2 C14 3.114(6) 2_755 ?
Eu2 O9 3.147(4) 2_755 ?
Eu2 Eu2 4.2520(6) 2_755 ?
C1 O1 1.235(8) . ?
C1 N1 1.308(8) . ?
C2A N1 1.439(9) . ?
C2B N1 1.487(9) . ?
C3A N1 1.486(8) . ?
C3B N1 1.447(10) . ?
C4 O2 1.242(7) . ?
C4 N2 1.318(7) . ?
C5 N2 1.466(8) . ?
C6 N2 1.464(8) . ?
C7 O7 1.259(6) . ?
C7 O6 1.271(6) . ?
C7 C8 1.505(8) . ?
C8 C13 1.372(7) . ?
C8 C9 1.411(7) . ?
C9 C10 1.366(8) . ?
C10 O15 1.385(6) . ?
C10 C11 1.402(7) . ?
C11 C12 1.380(8) . ?
C12 C13 1.401(8) . ?
C12 C14 1.506(7) . ?
C14 O8 1.256(7) . ?
C14 O9 1.265(7) . ?
C14 Eu2 3.114(6) 2_755 ?
C15 O11 1.256(8) . ?
C15 N4 1.317(8) . ?
C16 N4 1.475(9) . ?
C17 N4 1.439(8) . ?
C18 O10 1.242(7) . ?
C18 N5 1.313(8) . ?
C19 N5 1.450(8) . ?
C20 N5 1.442(8) . ?
C21 O15 1.425(7) . ?
C21 C22 1.500(8) . ?
C22 O16 1.446(6) . ?
C23 O16 1.372(6) . ?
C23 C24 1.396(8) . ?
C23 C28 1.396(7) . ?
C24 C25 1.387(8) . ?
C25 C26 1.410(7) . ?
C25 C30 1.511(8) . ?
C26 C27 1.384(8) . ?
C27 C28 1.394(8) . ?
C27 C29 1.501(7) . ?
C29 O20 1.261(6) . ?
C29 O19 1.277(6) . ?
C29 Eu1 2.902(5) 2_766 ?
C30 O17 1.256(7) . ?
C30 O18 1.258(7) . ?
C31 O21 1.199(11) . ?
C31 N7 1.332(11) . ?
C32 N7 1.399(9) . ?
C33 N7 1.463(11) . ?
C34 O22 1.240(12) . ?
C34 N8 1.277(12) . ?
C35 N8 1.422(9) . ?
C36 N8 1.507(11) . ?
N3 O5 1.226(7) . ?
N3 O3 1.260(6) . ?
N3 O4 1.268(7) . ?
N6 O14 1.234(7) . ?
N6 O12 1.250(7) . ?
N6 O13 1.252(7) . ?
O7 Eu1 2.370(4) 2_656 ?
O8 Eu2 2.374(4) 2_755 ?
O9 Eu2 3.147(4) 2_755 ?
O17 Eu2 2.406(4) 2_765 ?
O18 Eu2 2.358(4) 1_565 ?
O19 Eu1 2.382(4) 1_665 ?
O19 Eu1 2.588(4) 2_766 ?
O20 Eu1 2.465(4) 2_766 ?

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
O7 Eu1 O6 136.96(13) 2_656 . ?
O7 Eu1 O19 72.07(13) 2_656 1_445 ?
O6 Eu1 O19 78.91(13) . 1_445 ?
O7 Eu1 O1 140.66(14) 2_656 . ?
O6 Eu1 O1 75.32(15) . . ?
O19 Eu1 O1 146.91(14) 1_445 . ?
O7 Eu1 O2 128.39(13) 2_656 . ?
O6 Eu1 O2 74.26(13) . . ?
O19 Eu1 O2 79.51(13) 1_445 . ?
O1 Eu1 O2 73.81(14) . . ?
O7 Eu1 O20 78.29(13) 2_656 2_766 ?
O6 Eu1 O20 93.05(13) . 2_766 ?
O19 Eu1 O20 123.98(12) 1_445 2_766 ?
O1 Eu1 O20 78.14(14) . 2_766 ?
O2 Eu1 O20 151.31(13) . 2_766 ?
O7 Eu1 O4 69.42(13) 2_656 . ?
O6 Eu1 O4 142.88(13) . . ?
O19 Eu1 O4 90.69(13) 1_445 . ?
O1 Eu1 O4 97.44(15) . . ?
O2 Eu1 O4 68.81(14) . . ?
O20 Eu1 O4 121.53(14) 2_766 . ?
O7 Eu1 O3 71.39(14) 2_656 . ?
O6 Eu1 O3 146.68(13) . . ?
O19 Eu1 O3 133.88(13) 1_445 . ?
O1 Eu1 O3 72.05(15) . . ?
O2 Eu1 O3 102.49(14) . . ?
O20 Eu1 O3 73.95(13) 2_766 . ?
O4 Eu1 O3 50.30(14) . . ?
O7 Eu1 O19 72.62(12) 2_656 2_766 ?
O6 Eu1 O19 69.31(12) . 2_766 ?
O19 Eu1 O19 74.28(13) 1_445 2_766 ?
O1 Eu1 O19 114.38(14) . 2_766 ?
O2 Eu1 O19 138.30(13) . 2_766 ?
O20 Eu1 O19 51.65(12) 2_766 2_766 ?
O4 Eu1 O19 141.88(13) . 2_766 ?
O3 Eu1 O19 119.09(13) . 2_766 ?
O7 Eu1 C29 74.26(14) 2_656 2_766 ?
O6 Eu1 C29 80.18(14) . 2_766 ?
O19 Eu1 C29 99.58(14) 1_445 2_766 ?
O1 Eu1 C29 96.13(15) . 2_766 ?
O2 Eu1 C29 154.13(15) . 2_766 ?
O20 Eu1 C29 25.55(14) 2_766 2_766 ?
O4 Eu1 C29 136.92(14) . 2_766 ?
O3 Eu1 C29 96.64(15) . 2_766 ?
O19 Eu1 C29 26.11(13) 2_766 2_766 ?
O7 Eu1 N3 65.97(13) 2_656 . ?
O6 Eu1 N3 156.71(13) . . ?
O19 Eu1 N3 111.84(14) 1_445 . ?
O1 Eu1 N3 86.26(15) . . ?
O2 Eu1 N3 87.12(15) . . ?
O20 Eu1 N3 97.03(15) 2_766 . ?
O4 Eu1 N3 25.32(14) . . ?
O3 Eu1 N3 25.18(14) . . ?
O19 Eu1 N3 132.64(13) 2_766 . ?
C29 Eu1 N3 116.47(15) 2_766 . ?
O7 Eu1 Eu1 67.66(9) 2_656 2_656 ?
O6 Eu1 Eu1 69.74(9) . 2_656 ?
O19 Eu1 Eu1 38.94(8) 1_445 2_656 ?
O1 Eu1 Eu1 140.62(12) . 2_656 ?
O2 Eu1 Eu1 112.22(10) . 2_656 ?
O20 Eu1 Eu1 86.02(8) 2_766 2_656 ?
O4 Eu1 Eu1 121.40(10) . 2_656 ?
O3 Eu1 Eu1 137.22(10) . 2_656 ?
O19 Eu1 Eu1 35.34(8) 2_766 2_656 ?
C29 Eu1 Eu1 60.90(11) 2_766 2_656 ?
N3 Eu1 Eu1 131.75(9) . 2_656 ?
O9 Eu2 O18 76.11(15) . 1_545 ?
O9 Eu2 O8 122.85(14) . 2_755 ?
O18 Eu2 O8 83.84(14) 1_545 2_755 ?
O9 Eu2 O10 79.84(14) . . ?
O18 Eu2 O10 81.33(15) 1_545 . ?
O8 Eu2 O10 148.69(14) 2_755 . ?
O9 Eu2 O17 74.18(14) . 2_765 ?
O18 Eu2 O17 129.21(13) 1_545 2_765 ?
O8 Eu2 O17 79.02(14) 2_755 2_765 ?
O10 Eu2 O17 131.13(14) . 2_765 ?
O9 Eu2 O11 142.57(14) . . ?
O18 Eu2 O11 73.89(14) 1_545 . ?
O8 Eu2 O11 75.45(13) 2_755 . ?
O10 Eu2 O11 73.99(14) . . ?
O17 Eu2 O11 143.11(14) 2_765 . ?
O9 Eu2 O12 138.47(14) . . ?
O18 Eu2 O12 145.39(14) 1_545 . ?
O8 Eu2 O12 74.98(14) 2_755 . ?
O10 Eu2 O12 102.99(15) . . ?
O17 Eu2 O12 73.48(14) 2_765 . ?
O11 Eu2 O12 74.46(14) . . ?
O9 Eu2 O13 95.41(16) . . ?
O18 Eu2 O13 151.35(14) 1_545 . ?
O8 Eu2 O13 122.51(15) 2_755 . ?
O10 Eu2 O13 70.18(15) . . ?
O17 Eu2 O13 71.93(15) 2_765 . ?
O11 Eu2 O13 100.25(15) . . ?
O12 Eu2 O13 49.81(14) . . ?
O9 Eu2 N6 116.96(16) . . ?
O18 Eu2 N6 161.18(14) 1_545 . ?
O8 Eu2 N6 98.31(15) 2_755 . ?
O10 Eu2 N6 87.60(15) . . ?
O17 Eu2 N6 69.28(14) 2_765 . ?
O11 Eu2 N6 88.48(15) . . ?
O12 Eu2 N6 24.90(14) . . ?
O13 Eu2 N6 25.00(14) . . ?
O9 Eu2 C14 101.63(15) . 2_755 ?
O18 Eu2 C14 73.23(14) 1_545 2_755 ?
O8 Eu2 C14 21.50(15) 2_755 2_755 ?
O10 Eu2 C14 153.19(15) . 2_755 ?
O17 Eu2 C14 73.66(14) 2_765 2_755 ?
O11 Eu2 C14 90.66(13) . 2_755 ?
O12 Eu2 C14 93.53(15) . 2_755 ?
O13 Eu2 C14 135.39(15) . 2_755 ?
N6 Eu2 C14 114.36(15) . 2_755 ?
O9 Eu2 O9 78.69(13) . 2_755 ?
O18 Eu2 O9 63.48(12) 1_545 2_755 ?
O8 Eu2 O9 44.80(12) 2_755 2_755 ?
O10 Eu2 O9 142.17(13) . 2_755 ?
O17 Eu2 O9 70.91(12) 2_765 2_755 ?
O11 Eu2 O9 106.66(12) . 2_755 ?
O12 Eu2 O9 113.74(13) . 2_755 ?
O13 Eu2 O9 142.57(13) . 2_755 ?
N6 Eu2 O9 129.99(13) . 2_755 ?
C14 Eu2 O9 23.30(12) 2_755 2_755 ?
O9 Eu2 Eu2 46.54(10) . 2_755 ?
O18 Eu2 Eu2 62.56(9) 1_545 2_755 ?
O8 Eu2 Eu2 76.65(10) 2_755 2_755 ?
O10 Eu2 Eu2 119.27(11) . 2_755 ?
O17 Eu2 Eu2 67.04(10) 2_765 2_755 ?
O11 Eu2 Eu2 130.03(10) . 2_755 ?
O12 Eu2 Eu2 134.77(11) . 2_755 ?
O13 Eu2 Eu2 129.72(12) . 2_755 ?
N6 Eu2 Eu2 136.20(11) . 2_755 ?
C14 Eu2 Eu2 55.22(11) 2_755 2_755 ?
O9 Eu2 Eu2 32.15(7) 2_755 2_755 ?
O1 C1 N1 123.7(7) . . ?
O2 C4 N2 123.5(6) . . ?
O7 C7 O6 125.8(5) . . ?
O7 C7 C8 117.2(5) . . ?
O6 C7 C8 117.0(5) . . ?
C13 C8 C9 120.1(5) . . ?
C13 C8 C7 120.6(5) . . ?
C9 C8 C7 119.3(5) . . ?
C10 C9 C8 119.5(5) . . ?
C9 C10 O15 124.3(5) . . ?
C9 C10 C11 120.9(5) . . ?
O15 C10 C11 114.8(5) . . ?
C12 C11 C10 119.0(5) . . ?
C11 C12 C13 120.6(5) . . ?
C11 C12 C14 120.7(5) . . ?
C13 C12 C14 118.7(5) . . ?
C8 C13 C12 119.7(5) . . ?
O8 C14 O9 123.7(5) . . ?
O8 C14 C12 118.4(5) . . ?
O9 C14 C12 117.9(5) . . ?
O8 C14 Eu2 43.9(3) . 2_755 ?
O9 C14 Eu2 79.8(3) . 2_755 ?
C12 C14 Eu2 162.3(4) . 2_755 ?
O11 C15 N4 123.7(6) . . ?
O10 C18 N5 125.1(6) . . ?
O15 C21 C22 107.9(5) . . ?
O16 C22 C21 107.9(4) . . ?
O16 C23 C24 116.6(5) . . ?
O16 C23 C28 123.5(5) . . ?
C24 C23 C28 119.8(5) . . ?
C25 C24 C23 120.9(5) . . ?
C24 C25 C26 119.5(5) . . ?
C24 C25 C30 121.6(5) . . ?
C26 C25 C30 118.8(5) . . ?
C27 C26 C25 119.0(5) . . ?
C26 C27 C28 121.8(5) . . ?
C26 C27 C29 119.3(5) . . ?
C28 C27 C29 118.9(5) . . ?
C27 C28 C23 118.9(5) . . ?
O20 C29 O19 120.5(5) . . ?
O20 C29 C27 120.2(5) . . ?
O19 C29 C27 119.2(5) . . ?
O20 C29 Eu1 57.4(3) . 2_766 ?
O19 C29 Eu1 63.1(3) . 2_766 ?
C27 C29 Eu1 175.2(4) . 2_766 ?
O17 C30 O18 126.3(5) . . ?
O17 C30 C25 117.0(5) . . ?
O18 C30 C25 116.6(5) . . ?
O21 C31 N7 121.3(9) . . ?
O22 C34 N8 123.4(10) . . ?
C1 N1 C2A 122.1(10) . . ?
C1 N1 C3B 141.6(14) . . ?
C2A N1 C3B 95.1(16) . . ?
C1 N1 C3A 116.2(8) . . ?
C2A N1 C3A 116.3(11) . . ?
C3B N1 C3A 26.9(10) . . ?
C1 N1 C2B 118.1(9) . . ?
C2A N1 C2B 29.8(10) . . ?
C3B N1 C2B 98.6(16) . . ?
C3A N1 C2B 125.3(11) . . ?
C4 N2 C6 121.8(5) . . ?
C4 N2 C5 120.8(5) . . ?
C6 N2 C5 117.5(5) . . ?
O5 N3 O3 122.3(6) . . ?
O5 N3 O4 121.8(6) . . ?
O3 N3 O4 115.9(5) . . ?
O5 N3 Eu1 172.2(4) . . ?
O3 N3 Eu1 58.7(3) . . ?
O4 N3 Eu1 57.8(3) . . ?
C15 N4 C17 122.9(6) . . ?
C15 N4 C16 119.8(6) . . ?
C17 N4 C16 117.2(5) . . ?
C18 N5 C20 120.2(6) . . ?
C18 N5 C19 121.9(6) . . ?
C20 N5 C19 117.6(6) . . ?
O14 N6 O12 122.0(6) . . ?
O14 N6 O13 121.4(6) . . ?
O12 N6 O13 116.6(5) . . ?
O14 N6 Eu2 174.4(5) . . ?
O12 N6 Eu2 58.1(3) . . ?
O13 N6 Eu2 58.8(3) . . ?
C31 N7 C32 127.1(8) . . ?
C31 N7 C33 116.8(7) . . ?
C32 N7 C33 115.9(7) . . ?
C34 N8 C35 122.3(9) . . ?
C34 N8 C36 123.0(8) . . ?
C35 N8 C36 114.3(7) . . ?
C1 O1 Eu1 142.8(4) . . ?
C4 O2 Eu1 127.0(4) . . ?
N3 O3 Eu1 96.1(3) . . ?
N3 O4 Eu1 96.9(3) . . ?
C7 O6 Eu1 135.2(3) . . ?
C7 O7 Eu1 137.6(4) . 2_656 ?
C14 O8 Eu2 114.6(4) . 2_755 ?
C14 O9 Eu2 170.0(4) . . ?
C14 O9 Eu2 76.9(3) . 2_755 ?
Eu2 O9 Eu2 101.31(13) . 2_755 ?
C18 O10 Eu2 141.2(4) . . ?
C15 O11 Eu2 124.1(4) . . ?
N6 O12 Eu2 97.0(4) . . ?
N6 O13 Eu2 96.2(3) . . ?
C10 O15 C21 116.4(4) . . ?
C23 O16 C22 116.3(4) . . ?
C30 O17 Eu2 136.0(4) . 2_765 ?
C30 O18 Eu2 146.6(4) . 1_565 ?
C29 O19 Eu1 158.0(3) . 1_665 ?
C29 O19 Eu1 90.8(3) . 2_766 ?
Eu1 O19 Eu1 105.72(13) 1_665 2_766 ?
C29 O20 Eu1 97.0(3) . 2_766 ?

_diffrn_measured_fraction_theta_max 0.990
_diffrn_reflns_theta_full        25.01
_diffrn_measured_fraction_theta_full 0.990
_refine_diff_density_max         2.646
_refine_diff_density_min         -1.416
_refine_diff_density_rms         0.145
_exptl_crystal_preparation       Luminescent
####################################################################### 
# 
# 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_added_by_encifer
_database_code_depnum_ccdc_archive 'CCDC 1037593'
_audit_update_record             
;
2014-12-04 deposited with the CCDC.
2015-03-06 downloaded from the CCDC.
;


_audit_creation_method           SHELXL-97
_chemical_name_systematic        
; 
 ? 
;
_chemical_name_common            ?
_chemical_melting_point          ?
_chemical_formula_moiety         ?
_chemical_formula_sum            'C33 H47 N7 O22 Tb2'
_chemical_formula_weight         1211.62

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                   13.0090(10)
_cell_length_b                   13.7701(7)
_cell_length_c                   15.0439(7)
_cell_angle_alpha                99.513(4)
_cell_angle_beta                 90.402(5)
_cell_angle_gamma                116.522(6)
_cell_volume                     2368.1(2)
_cell_formula_units_Z            2
_cell_measurement_temperature    122.20(10)
_cell_measurement_reflns_used    7008
_cell_measurement_theta_min      2.3543
_cell_measurement_theta_max      29.1830

_exptl_crystal_description       needle
_exptl_crystal_colour            colorless
_exptl_crystal_size_max          0.23
_exptl_crystal_size_mid          0.20
_exptl_crystal_size_min          0.18
_exptl_crystal_density_meas      none
_exptl_crystal_density_diffrn    1.699
_exptl_crystal_density_method    'not measured'
_exptl_crystal_F_000             1200
_exptl_absorpt_coefficient_mu    3.046
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_correction_T_min  0.5410
_exptl_absorpt_correction_T_max  0.6102
_exptl_absorpt_process_details   ?

_exptl_special_details           
;
CrysAlisPro, Agilent Technologies,
Version 1.171.35.15 (release 03-08-2011 CrysAlis171 .NET)
(compiled Aug  3 2011,13:03:54)
Empirical absorption correction using spherical harmonics,
 implemented in SCALE3 ABSPACK scaling algorithm.
;

_diffrn_ambient_temperature      122.20(10)
_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  'SuperNova, Single source at offset), Eos'
_diffrn_measurement_method       'ω scans'
_diffrn_detector_area_resol_mean 16.2116
_diffrn_standards_number         ?
_diffrn_standards_interval_count ?
_diffrn_standards_interval_time  ?
_diffrn_standards_decay_%        ?
_diffrn_reflns_number            15291
_diffrn_reflns_av_R_equivalents  0.0665
_diffrn_reflns_av_sigmaI/netI    0.0912
_diffrn_reflns_limit_h_min       -15
_diffrn_reflns_limit_h_max       15
_diffrn_reflns_limit_k_min       -16
_diffrn_reflns_limit_k_max       11
_diffrn_reflns_limit_l_min       -17
_diffrn_reflns_limit_l_max       17
_diffrn_reflns_theta_min         2.36
_diffrn_reflns_theta_max         25.01
_reflns_number_total             8185
_reflns_number_gt                6527
_reflns_threshold_expression     >2sigma(I)

_computing_data_collection       
;
CrysAlisPro, Agilent Technologies,
Version 1.171.35.15 (release 03-08-2011 CrysAlis171 .NET)
(compiled Aug  3 2011,13:03:54)
;
_computing_cell_refinement       
;
CrysAlisPro, Agilent Technologies,
Version 1.171.35.15 (release 03-08-2011 CrysAlis171 .NET)
(compiled Aug  3 2011,13:03:54)
;
_computing_data_reduction        
;
CrysAlisPro, Agilent Technologies,
Version 1.171.35.15 (release 03-08-2011 CrysAlis171 .NET)
(compiled Aug  3 2011,13:03:54)
;
_computing_structure_solution    'SHELXS-97 (Sheldrick, 1990)'
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 1997)'
_computing_molecular_graphics    'Bruker SHELXTL'
_computing_publication_material  'Bruker SHELXTL'

_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. 
DFIX 1.47 0.001 C1A N2 C1B N2
SIMU 0.01 0.02 1.7
ISOR 0.01 0.001 O22
ISOR 0.003 0.001 O10
ISOR 0.01 0.001 O4 O19
ISOR 0.01 0.001 C24
;

_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)+(0.1411P)²+72.6862P] where P=(Fo²+2Fc²)/3'
_atom_sites_solution_primary     direct
_atom_sites_solution_secondary   difmap
_atom_sites_solution_hydrogens   geom
_refine_ls_hydrogen_treatment    Constrained
_refine_ls_extinction_method     none
_refine_ls_extinction_coef       ?
_refine_ls_number_reflns         8185
_refine_ls_number_parameters     606
_refine_ls_number_restraints     374
_refine_ls_R_factor_all          0.1062
_refine_ls_R_factor_gt           0.0915
_refine_ls_wR_factor_ref         0.2578
_refine_ls_wR_factor_gt          0.2395
_refine_ls_goodness_of_fit_ref   1.045
_refine_ls_restrained_S_all      1.030
_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
C1A C 0.223(7) 0.735(6) 0.737(3) 0.058(9) Uani 0.33 1 d PDU A 2
H1AA H 0.2264 0.6808 0.6901 0.086 Uiso 0.33 1 calc PR A 2
H1AB H 0.2924 0.8033 0.7421 0.086 Uiso 0.33 1 calc PR A 2
H1AC H 0.1577 0.7469 0.7232 0.086 Uiso 0.33 1 calc PR A 2
C1B C 0.279(3) 0.786(3) 0.776(3) 0.068(7) Uani 0.67 1 d PDU A 1
H1BA H 0.2355 0.8246 0.7650 0.101 Uiso 0.67 1 calc PR A 1
H1BB H 0.2971 0.7564 0.7193 0.101 Uiso 0.67 1 calc PR A 1
H1BC H 0.3496 0.8370 0.8125 0.101 Uiso 0.67 1 calc PR A 1
C2 C 0.238(3) 0.605(2) 0.814(2) 0.076(6) Uani 1 1 d U A .
H2A H 0.1753 0.5429 0.8307 0.115 Uiso 1 1 calc R . .
H2B H 0.3066 0.6258 0.8529 0.115 Uiso 1 1 calc R . .
H2C H 0.2518 0.5868 0.7524 0.115 Uiso 1 1 calc R . .
C3 C 0.1452(18) 0.7095(17) 0.8831(14) 0.046(3) Uani 1 1 d U A .
H3 H 0.1217 0.6602 0.9230 0.055 Uiso 1 1 calc R . .
C4 C -0.224(2) 0.655(2) 0.6468(16) 0.066(6) Uani 1 1 d U . .
H4A H -0.2421 0.5902 0.6727 0.099 Uiso 1 1 calc R . .
H4B H -0.2509 0.6324 0.5837 0.099 Uiso 1 1 calc R . .
H4C H -0.2609 0.6957 0.6773 0.099 Uiso 1 1 calc R . .
C5 C -0.0306(19) 0.7349(18) 0.5780(12) 0.050(5) Uani 1 1 d U . .
H5A H 0.0476 0.7894 0.5967 0.076 Uiso 1 1 calc R . .
H5B H -0.0625 0.7576 0.5324 0.076 Uiso 1 1 calc R . .
H5C H -0.0320 0.6653 0.5536 0.076 Uiso 1 1 calc R . .
C6 C -0.0484(16) 0.7706(14) 0.7379(10) 0.036(3) Uani 1 1 d U A .
H6 H 0.0314 0.8118 0.7421 0.043 Uiso 1 1 calc R . .
C7 C 0.1367(12) 1.0746(11) 0.8670(10) 0.019(2) Uani 1 1 d U A .
C8 C 0.2376(12) 1.1254(11) 0.8101(9) 0.018(2) Uani 1 1 d U . .
C9 C 0.3069(11) 1.2397(11) 0.8291(10) 0.018(2) Uani 1 1 d U . .
H9 H 0.2898 1.2839 0.8741 0.022 Uiso 1 1 calc R . .
C10 C 0.3997(13) 1.2862(12) 0.7812(11) 0.023(2) Uani 1 1 d U . .
C11 C 0.4209(13) 1.2208(12) 0.7088(11) 0.026(3) Uani 1 1 d U . .
H11 H 0.4836 1.2533 0.6759 0.031 Uiso 1 1 calc R . .
C12 C 0.3488(12) 1.1076(11) 0.6860(10) 0.021(2) Uani 1 1 d U . .
C13 C 0.2566(12) 1.0602(11) 0.7405(10) 0.019(2) Uani 1 1 d U . .
H13 H 0.2092 0.9843 0.7285 0.023 Uiso 1 1 calc R . .
C14 C 0.3643(12) 1.0346(12) 0.6086(10) 0.020(2) Uani 1 1 d U . .
C15 C 0.4493(13) 1.4658(11) 0.8622(12) 0.027(3) Uani 1 1 d U . .
H15A H 0.4509 1.4448 0.9204 0.033 Uiso 1 1 calc R . .
H15B H 0.3729 1.4581 0.8476 0.033 Uiso 1 1 calc R . .
C16 C 0.5382(14) 1.5829(12) 0.8657(12) 0.029(3) Uani 1 1 d U . .
H16A H 0.5356 1.6297 0.9205 0.035 Uiso 1 1 calc R . .
H16B H 0.6147 1.5874 0.8652 0.035 Uiso 1 1 calc R . .
C17 C 0.5751(12) 1.7271(11) 0.7836(10) 0.020(2) Uani 1 1 d U . .
C18 C 0.5414(12) 1.7668(11) 0.7155(10) 0.022(3) Uani 1 1 d U . .
H18 H 0.4778 1.7184 0.6750 0.026 Uiso 1 1 calc R . .
C19 C 0.5998(12) 1.8768(11) 0.7062(10) 0.019(2) Uani 1 1 d U . .
C20 C 0.6944(12) 1.9495(11) 0.7692(10) 0.018(2) Uani 1 1 d U . .
H20 H 0.7331 2.0240 0.7657 0.022 Uiso 1 1 calc R . .
C21 C 0.7303(12) 1.9103(11) 0.8371(10) 0.019(2) Uani 1 1 d U . .
C22 C 0.6730(13) 1.7990(12) 0.8428(11) 0.023(3) Uani 1 1 d U . .
H22 H 0.6998 1.7724 0.8858 0.028 Uiso 1 1 calc R . .
C23 C 0.8291(12) 1.9867(11) 0.9044(10) 0.019(2) Uani 1 1 d U . .
C24 C 0.5621(12) 1.9220(11) 0.6381(9) 0.017(2) Uani 1 1 d U . .
C25 C 0.026(2) 0.9718(18) 0.3468(17) 0.061(5) Uani 1 1 d U . .
H25A H 0.0792 1.0249 0.3144 0.092 Uiso 1 1 calc R . .
H25B H 0.0305 1.0065 0.4085 0.092 Uiso 1 1 calc R . .
H25C H -0.0508 0.9435 0.3190 0.092 Uiso 1 1 calc R . .
C26 C 0.0099(19) 0.7892(17) 0.2639(16) 0.054(5) Uani 1 1 d U . .
H26A H -0.0683 0.7716 0.2459 0.081 Uiso 1 1 calc R . .
H26B H 0.0125 0.7255 0.2796 0.081 Uiso 1 1 calc R . .
H26C H 0.0565 0.8113 0.2148 0.081 Uiso 1 1 calc R . .
C27 C 0.1281(15) 0.8880(14) 0.4092(12) 0.033(3) Uani 1 1 d U . .
H27 H 0.1567 0.9490 0.4562 0.040 Uiso 1 1 calc R . .
C28 C 0.106(3) 0.596(3) 0.1281(19) 0.092(8) Uani 1 1 d U . .
H28A H 0.1129 0.6626 0.1103 0.138 Uiso 1 1 calc R . .
H28B H 0.0316 0.5581 0.1492 0.138 Uiso 1 1 calc R . .
H28C H 0.1153 0.5495 0.0772 0.138 Uiso 1 1 calc R . .
C29 C 0.214(3) 0.532(2) 0.230(2) 0.096(8) Uani 1 1 d U . .
H29A H 0.2737 0.5229 0.1977 0.144 Uiso 1 1 calc R . .
H29B H 0.1432 0.4652 0.2156 0.144 Uiso 1 1 calc R . .
H29C H 0.2360 0.5485 0.2940 0.144 Uiso 1 1 calc R . .
C30 C 0.2513(19) 0.7207(18) 0.2516(14) 0.053(4) Uani 1 1 d U . .
H30 H 0.2375 0.7762 0.2348 0.064 Uiso 1 1 calc R . .
N1 N -0.1563(11) 0.6361(10) 1.0069(9) 0.028(2) Uani 1 1 d U . .
N2 N 0.2112(16) 0.6962(15) 0.8236(12) 0.054(3) Uani 1 1 d DU . .
N3 N -0.1001(14) 0.7232(13) 0.6570(9) 0.040(3) Uani 1 1 d U . .
N4 N 0.0555(13) 0.8824(12) 0.3446(11) 0.039(3) Uani 1 1 d U . .
N5 N 0.1987(18) 0.6259(17) 0.2032(14) 0.069(4) Uani 1 1 d U . .
N6 N 0.2772(17) 0.6366(13) 0.5120(11) 0.048(3) Uani 1 1 d U . .
O1 O -0.0473(10) 0.6828(9) 1.0245(8) 0.032(2) Uani 1 1 d U . .
O2 O -0.1960(9) 0.6787(9) 0.9573(8) 0.031(2) Uani 1 1 d U . .
O3 O -0.2168(12) 0.5544(10) 1.0365(10) 0.048(3) Uani 1 1 d U . .
O4 O 0.1101(11) 0.7779(11) 0.8934(9) 0.045(3) Uani 1 1 d U . .
O5 O -0.0944(11) 0.7664(10) 0.8098(7) 0.038(3) Uani 1 1 d U . .
O6 O 0.1037(9) 0.9745(8) 0.8712(7) 0.026(2) Uani 1 1 d U . .
O7 O 0.0979(9) 1.1361(8) 0.9063(7) 0.022(2) Uani 1 1 d U . .
O8 O 0.4748(9) 1.3974(8) 0.7949(8) 0.029(2) Uani 1 1 d U . .
O9 O 0.5121(9) 1.6184(8) 0.7870(7) 0.027(2) Uani 1 1 d U . .
O10 O 0.8868(7) 1.9511(7) 0.9426(6) 0.0132(17) Uani 1 1 d U . .
O11 O 0.8509(9) 2.0887(8) 0.9246(7) 0.023(2) Uani 1 1 d U . .
O12 O 0.6298(9) 2.0150(8) 0.6245(7) 0.026(2) Uani 1 1 d U . .
O13 O 0.4601(8) 1.8623(8) 0.5977(6) 0.021(2) Uani 1 1 d U . .
O14 O 0.2859(9) 0.9390(8) 0.5830(7) 0.022(2) Uani 1 1 d U . .
O15 O 0.4540(8) 1.0732(8) 0.5681(7) 0.022(2) Uani 1 1 d U . .
O16 O 0.2206(12) 0.6929(10) 0.5218(10) 0.048(3) Uani 1 1 d U . .
O17 O 0.3631(13) 0.6714(11) 0.4684(9) 0.048(3) Uani 1 1 d U . .
O18 O 0.2402(18) 0.5484(12) 0.5375(12) 0.076(5) Uani 1 1 d U . .
O19 O 0.3191(10) 0.7473(10) 0.3190(8) 0.037(3) Uani 1 1 d U . .
O20 O 0.1611(9) 0.8133(9) 0.4103(7) 0.027(2) Uani 1 1 d U . .
Tb1 Tb -0.00908(5) 0.85127(5) 0.96030(4) 0.0130(2) Uani 1 1 d . . .
Tb2 Tb 0.35606(5) 0.85596(5) 0.46486(4) 0.0142(2) Uani 1 1 d . . .
C31 C 0.248(3) 1.348(2) 0.6281(17) 0.079(6) Uani 1 1 d U . .
H31A H 0.1727 1.2865 0.6106 0.118 Uiso 1 1 calc R . .
H31B H 0.2458 1.4147 0.6199 0.118 Uiso 1 1 calc R . .
H31C H 0.2694 1.3535 0.6906 0.118 Uiso 1 1 calc R . .
C32 C 0.440(3) 1.428(2) 0.580(2) 0.090(7) Uani 1 1 d U . .
H32A H 0.4272 1.4908 0.5779 0.135 Uiso 1 1 calc R . .
H32B H 0.4832 1.4185 0.5300 0.135 Uiso 1 1 calc R . .
H32C H 0.4832 1.4390 0.6357 0.135 Uiso 1 1 calc R . .
C33 C 0.319(3) 1.237(3) 0.5250(18) 0.085(6) Uani 1 1 d U . .
H33 H 0.3796 1.2312 0.4972 0.102 Uiso 1 1 calc R . .
N7 N 0.331(3) 1.331(2) 0.5724(14) 0.080(5) Uani 1 1 d U . .
O21 O 0.217(2) 1.1520(19) 0.5180(14) 0.100(6) Uani 1 1 d U . .
O23 O -0.003(3) 0.547(3) 0.366(2) 0.070(10) Uani 0.50 1 d P . .
O22 O 0.693(3) 1.179(2) 0.936(2) 0.059(7) Uani 0.50 1 d PU . .


_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
C1A N2 1.4700(10) . ?
C1A H1AA 0.9600 . ?
C1A H1AB 0.9600 . ?
C1A H1AC 0.9600 . ?
C1B N2 1.4700(11) . ?
C1B H1BA 0.9600 . ?
C1B H1BB 0.9600 . ?
C1B H1BC 0.9600 . ?
C2 N2 1.43(3) . ?
C2 H2A 0.9600 . ?
C2 H2B 0.9600 . ?
C2 H2C 0.9600 . ?
C3 O4 1.21(2) . ?
C3 N2 1.29(2) . ?
C3 H3 0.9300 . ?
C4 N3 1.45(3) . ?
C4 H4A 0.9600 . ?
C4 H4B 0.9600 . ?
C4 H4C 0.9600 . ?
C5 N3 1.48(2) . ?
C5 H5A 0.9600 . ?
C5 H5B 0.9600 . ?
C5 H5C 0.9600 . ?
C6 O5 1.24(2) . ?
C6 N3 1.30(2) . ?
C6 H6 0.9300 . ?
C7 O7 1.242(17) . ?
C7 O6 1.259(17) . ?
C7 C8 1.530(19) . ?
C8 C13 1.36(2) . ?
C8 C9 1.397(19) . ?
C9 C10 1.36(2) . ?
C9 H9 0.9300 . ?
C10 O8 1.377(17) . ?
C10 C11 1.41(2) . ?
C11 C12 1.39(2) . ?
C11 H11 0.9300 . ?
C12 C13 1.42(2) . ?
C12 C14 1.48(2) . ?
C13 H13 0.9300 . ?
C14 O14 1.245(18) . ?
C14 O15 1.256(17) . ?
C14 Tb2 2.957(15) . ?
C15 O8 1.412(19) . ?
C15 C16 1.50(2) . ?
C15 H15A 0.9700 . ?
C15 H15B 0.9700 . ?
C16 O9 1.445(18) . ?
C16 H16A 0.9700 . ?
C16 H16B 0.9700 . ?
C17 O9 1.358(17) . ?
C17 C18 1.39(2) . ?
C17 C22 1.40(2) . ?
C18 C19 1.39(2) . ?
C18 H18 0.9300 . ?
C19 C20 1.409(19) . ?
C19 C24 1.468(18) . ?
C20 C21 1.397(19) . ?
C20 H20 0.9300 . ?
C21 C22 1.391(19) . ?
C21 C23 1.485(19) . ?
C22 H22 0.9300 . ?
C23 O10 1.245(16) . ?
C23 O11 1.283(17) . ?
C23 Tb1 2.894(13) 2_687 ?
C24 O12 1.241(17) . ?
C24 O13 1.286(17) . ?
C25 N4 1.44(3) . ?
C25 H25A 0.9600 . ?
C25 H25B 0.9600 . ?
C25 H25C 0.9600 . ?
C26 N4 1.51(3) . ?
C26 H26A 0.9600 . ?
C26 H26B 0.9600 . ?
C26 H26C 0.9600 . ?
C27 O20 1.281(19) . ?
C27 N4 1.32(2) . ?
C27 H27 0.9300 . ?
C28 N5 1.51(3) . ?
C28 H28A 0.9600 . ?
C28 H28B 0.9600 . ?
C28 H28C 0.9600 . ?
C29 N5 1.51(4) . ?
C29 H29A 0.9600 . ?
C29 H29B 0.9600 . ?
C29 H29C 0.9600 . ?
C30 O19 1.23(2) . ?
C30 N5 1.26(3) . ?
C30 H30 0.9300 . ?
N1 O3 1.210(16) . ?
N1 O2 1.256(17) . ?
N1 O1 1.273(17) . ?
N1 Tb1 2.928(12) . ?
N6 O18 1.22(2) . ?
N6 O17 1.24(2) . ?
N6 O16 1.28(2) . ?
N6 Tb2 2.938(15) . ?
O1 Tb1 2.506(10) . ?
O2 Tb1 2.523(10) . ?
O4 Tb1 2.350(11) . ?
O5 Tb1 2.378(11) . ?
O6 Tb1 2.321(10) . ?
O7 Tb1 2.343(10) 2_577 ?
O10 Tb1 2.361(8) 1_665 ?
O10 Tb1 2.619(9) 2_687 ?
O11 Tb1 2.423(10) 2_687 ?
O12 Tb2 2.345(10) 2_686 ?
O13 Tb2 2.374(9) 1_565 ?
O14 Tb2 2.363(10) . ?
O15 Tb2 2.308(9) 2_676 ?
O15 Tb2 2.832(10) . ?
O16 Tb2 2.451(13) . ?
O17 Tb2 2.593(12) . ?
O19 Tb2 2.354(11) . ?
O20 Tb2 2.436(10) . ?
Tb1 O7 2.343(10) 2_577 ?
Tb1 O10 2.361(8) 1_445 ?
Tb1 O11 2.423(10) 2_687 ?
Tb1 O10 2.619(9) 2_687 ?
Tb1 C23 2.894(14) 2_687 ?
Tb1 Tb1 3.9717(12) 2_577 ?
Tb2 O15 2.308(9) 2_676 ?
Tb2 O12 2.345(10) 2_686 ?
Tb2 O13 2.374(9) 1_545 ?
C31 N7 1.46(3) . ?
C31 H31A 0.9600 . ?
C31 H31B 0.9600 . ?
C31 H31C 0.9600 . ?
C32 N7 1.44(4) . ?
C32 H32A 0.9600 . ?
C32 H32B 0.9600 . ?
C32 H32C 0.9600 . ?
C33 N7 1.30(3) . ?
C33 O21 1.31(4) . ?
C33 H33 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
N2 C1A H1AA 109.5 . . ?
N2 C1A H1AB 109.5 . . ?
H1AA C1A H1AB 109.5 . . ?
N2 C1A H1AC 109.5 . . ?
H1AA C1A H1AC 109.5 . . ?
H1AB C1A H1AC 109.5 . . ?
N2 C1B H1BA 109.5 . . ?
N2 C1B H1BB 109.5 . . ?
N2 C1B H1BC 109.5 . . ?
N2 C2 H2A 109.5 . . ?
N2 C2 H2B 109.5 . . ?
H2A C2 H2B 109.5 . . ?
N2 C2 H2C 109.5 . . ?
H2A C2 H2C 109.5 . . ?
H2B C2 H2C 109.5 . . ?
O4 C3 N2 128.1(18) . . ?
O4 C3 H3 116.0 . . ?
N2 C3 H3 116.0 . . ?
N3 C4 H4A 109.5 . . ?
N3 C4 H4B 109.5 . . ?
H4A C4 H4B 109.5 . . ?
N3 C4 H4C 109.5 . . ?
H4A C4 H4C 109.5 . . ?
H4B C4 H4C 109.5 . . ?
N3 C5 H5A 109.5 . . ?
N3 C5 H5B 109.5 . . ?
H5A C5 H5B 109.5 . . ?
N3 C5 H5C 109.5 . . ?
H5A C5 H5C 109.5 . . ?
H5B C5 H5C 109.5 . . ?
O5 C6 N3 126.8(18) . . ?
O5 C6 H6 116.6 . . ?
N3 C6 H6 116.6 . . ?
O7 C7 O6 126.7(13) . . ?
O7 C7 C8 117.3(12) . . ?
O6 C7 C8 116.0(12) . . ?
C13 C8 C9 121.0(13) . . ?
C13 C8 C7 120.2(12) . . ?
C9 C8 C7 118.8(12) . . ?
C10 C9 C8 119.7(13) . . ?
C10 C9 H9 120.1 . . ?
C8 C9 H9 120.1 . . ?
C9 C10 O8 124.8(13) . . ?
C9 C10 C11 120.2(13) . . ?
O8 C10 C11 114.9(13) . . ?
C12 C11 C10 120.6(14) . . ?
C12 C11 H11 119.7 . . ?
C10 C11 H11 119.7 . . ?
C11 C12 C13 117.9(13) . . ?
C11 C12 C14 123.2(13) . . ?
C13 C12 C14 118.9(12) . . ?
C8 C13 C12 120.3(13) . . ?
C8 C13 H13 119.8 . . ?
C12 C13 H13 119.8 . . ?
O14 C14 O15 121.9(13) . . ?
O14 C14 C12 119.2(12) . . ?
O15 C14 C12 118.8(13) . . ?
O14 C14 Tb2 50.2(7) . . ?
O15 C14 Tb2 72.0(8) . . ?
C12 C14 Tb2 169.2(10) . . ?
O8 C15 C16 108.1(13) . . ?
O8 C15 H15A 110.1 . . ?
C16 C15 H15A 110.1 . . ?
O8 C15 H15B 110.1 . . ?
C16 C15 H15B 110.1 . . ?
H15A C15 H15B 108.4 . . ?
O9 C16 C15 107.3(13) . . ?
O9 C16 H16A 110.2 . . ?
C15 C16 H16A 110.2 . . ?
O9 C16 H16B 110.2 . . ?
C15 C16 H16B 110.2 . . ?
H16A C16 H16B 108.5 . . ?
O9 C17 C18 117.4(12) . . ?
O9 C17 C22 123.5(12) . . ?
C18 C17 C22 119.1(13) . . ?
C17 C18 C19 122.0(13) . . ?
C17 C18 H18 119.0 . . ?
C19 C18 H18 119.0 . . ?
C18 C19 C20 118.3(12) . . ?
C18 C19 C24 122.9(12) . . ?
C20 C19 C24 118.6(12) . . ?
C21 C20 C19 120.3(13) . . ?
C21 C20 H20 119.8 . . ?
C19 C20 H20 119.8 . . ?
C22 C21 C20 120.2(13) . . ?
C22 C21 C23 119.2(12) . . ?
C20 C21 C23 120.6(12) . . ?
C21 C22 C17 120.0(13) . . ?
C21 C22 H22 120.0 . . ?
C17 C22 H22 120.0 . . ?
O10 C23 O11 120.9(12) . . ?
O10 C23 C21 120.2(12) . . ?
O11 C23 C21 118.8(12) . . ?
O10 C23 Tb1 64.9(7) . 2_687 ?
O11 C23 Tb1 56.0(7) . 2_687 ?
C21 C23 Tb1 174.2(10) . 2_687 ?
O12 C24 O13 125.0(12) . . ?
O12 C24 C19 117.9(12) . . ?
O13 C24 C19 117.1(12) . . ?
N4 C25 H25A 109.5 . . ?
N4 C25 H25B 109.5 . . ?
H25A C25 H25B 109.5 . . ?
N4 C25 H25C 109.5 . . ?
H25A C25 H25C 109.5 . . ?
H25B C25 H25C 109.5 . . ?
N4 C26 H26A 109.5 . . ?
N4 C26 H26B 109.5 . . ?
H26A C26 H26B 109.5 . . ?
N4 C26 H26C 109.5 . . ?
H26A C26 H26C 109.5 . . ?
H26B C26 H26C 109.5 . . ?
O20 C27 N4 123.1(16) . . ?
O20 C27 H27 118.5 . . ?
N4 C27 H27 118.5 . . ?
N5 C28 H28A 109.5 . . ?
N5 C28 H28B 109.5 . . ?
H28A C28 H28B 109.5 . . ?
N5 C28 H28C 109.5 . . ?
H28A C28 H28C 109.5 . . ?
H28B C28 H28C 109.5 . . ?
N5 C29 H29A 109.5 . . ?
N5 C29 H29B 109.5 . . ?
H29A C29 H29B 109.5 . . ?
N5 C29 H29C 109.5 . . ?
H29A C29 H29C 109.5 . . ?
H29B C29 H29C 109.5 . . ?
O19 C30 N5 126(2) . . ?
O19 C30 H30 116.8 . . ?
N5 C30 H30 116.8 . . ?
O3 N1 O2 122.8(14) . . ?
O3 N1 O1 120.6(14) . . ?
O2 N1 O1 116.6(11) . . ?
O3 N1 Tb1 172.0(11) . . ?
O2 N1 Tb1 59.0(7) . . ?
O1 N1 Tb1 58.3(7) . . ?
C3 N2 C2 122.2(18) . . ?
C3 N2 C1A 124(3) . . ?
C2 N2 C1A 109(3) . . ?
C3 N2 C1B 120(2) . . ?
C2 N2 C1B 117(2) . . ?
C1A N2 C1B 35(3) . . ?
C6 N3 C4 118.9(16) . . ?
C6 N3 C5 119.5(17) . . ?
C4 N3 C5 121.5(16) . . ?
C27 N4 C25 119.5(17) . . ?
C27 N4 C26 121.7(15) . . ?
C25 N4 C26 118.5(16) . . ?
C30 N5 C29 119(2) . . ?
C30 N5 C28 123(2) . . ?
C29 N5 C28 117(2) . . ?
O18 N6 O17 123.1(18) . . ?
O18 N6 O16 120(2) . . ?
O17 N6 O16 116.5(14) . . ?
O18 N6 Tb2 174.6(16) . . ?
O17 N6 Tb2 61.8(8) . . ?
O16 N6 Tb2 55.5(9) . . ?
N1 O1 Tb1 96.1(8) . . ?
N1 O2 Tb1 95.7(8) . . ?
C3 O4 Tb1 151.6(13) . . ?
C6 O5 Tb1 129.5(11) . . ?
C7 O6 Tb1 137.3(9) . . ?
C7 O7 Tb1 136.4(9) . 2_577 ?
C10 O8 C15 115.8(11) . . ?
C17 O9 C16 116.2(11) . . ?
C23 O10 Tb1 159.1(9) . 1_665 ?
C23 O10 Tb1 89.7(8) . 2_687 ?
Tb1 O10 Tb1 105.7(3) 1_665 2_687 ?
C23 O11 Tb1 97.9(8) . 2_687 ?
C24 O12 Tb2 140.9(9) . 2_686 ?
C24 O13 Tb2 136.8(9) . 1_565 ?
C14 O14 Tb2 105.9(9) . . ?
C14 O15 Tb2 162.5(9) . 2_676 ?
C14 O15 Tb2 83.1(8) . . ?
Tb2 O15 Tb2 102.5(3) 2_676 . ?
N6 O16 Tb2 99.1(12) . . ?
N6 O17 Tb2 93.2(10) . . ?
C30 O19 Tb2 137.2(11) . . ?
C27 O20 Tb2 122.7(10) . . ?
O6 Tb1 O7 135.6(3) . 2_577 ?
O6 Tb1 O4 74.2(4) . . ?
O7 Tb1 O4 141.3(4) 2_577 . ?
O6 Tb1 O10 77.4(3) . 1_445 ?
O7 Tb1 O10 72.6(3) 2_577 1_445 ?
O4 Tb1 O10 146.1(4) . 1_445 ?
O6 Tb1 O5 75.1(4) . . ?
O7 Tb1 O5 129.4(4) 2_577 . ?
O4 Tb1 O5 74.5(5) . . ?
O10 Tb1 O5 80.6(4) 1_445 . ?
O6 Tb1 O11 93.1(4) . 2_687 ?
O7 Tb1 O11 78.1(4) 2_577 2_687 ?
O4 Tb1 O11 75.9(4) . 2_687 ?
O10 Tb1 O11 124.2(3) 1_445 2_687 ?
O5 Tb1 O11 150.1(4) . 2_687 ?
O6 Tb1 O1 146.8(4) . . ?
O7 Tb1 O1 73.1(4) 2_577 . ?
O4 Tb1 O1 72.8(4) . . ?
O10 Tb1 O1 135.0(3) 1_445 . ?
O5 Tb1 O1 99.8(4) . . ?
O11 Tb1 O1 75.0(3) 2_687 . ?
O6 Tb1 O2 143.0(4) . . ?
O7 Tb1 O2 69.3(4) 2_577 . ?
O4 Tb1 O2 101.6(4) . . ?
O10 Tb1 O2 90.0(3) 1_445 . ?
O5 Tb1 O2 68.5(4) . . ?
O11 Tb1 O2 122.1(4) 2_687 . ?
O1 Tb1 O2 50.6(4) . . ?
O6 Tb1 O10 68.8(3) . 2_687 ?
O7 Tb1 O10 72.0(3) 2_577 2_687 ?
O4 Tb1 O10 111.2(4) . 2_687 ?
O10 Tb1 O10 74.3(3) 1_445 2_687 ?
O5 Tb1 O10 139.5(4) . 2_687 ?
O11 Tb1 O10 51.5(3) 2_687 2_687 ?
O1 Tb1 O10 120.4(3) . 2_687 ?
O2 Tb1 O10 141.1(3) . 2_687 ?
O6 Tb1 C23 79.9(4) . 2_687 ?
O7 Tb1 C23 73.5(4) 2_577 2_687 ?
O4 Tb1 C23 93.8(5) . 2_687 ?
O10 Tb1 C23 99.1(3) 1_445 2_687 ?
O5 Tb1 C23 154.4(4) . 2_687 ?
O11 Tb1 C23 26.1(4) 2_687 2_687 ?
O1 Tb1 C23 98.2(4) . 2_687 ?
O2 Tb1 C23 136.9(4) . 2_687 ?
O10 Tb1 C23 25.5(3) 2_687 2_687 ?
O6 Tb1 N1 157.2(4) . . ?
O7 Tb1 N1 66.6(3) 2_577 . ?
O4 Tb1 N1 89.1(4) . . ?
O10 Tb1 N1 111.8(3) 1_445 . ?
O5 Tb1 N1 85.6(4) . . ?
O11 Tb1 N1 98.0(4) 2_687 . ?
O1 Tb1 N1 25.6(4) . . ?
O2 Tb1 N1 25.3(4) . . ?
O10 Tb1 N1 133.1(3) 2_687 . ?
C23 Tb1 N1 117.5(4) 2_687 . ?
O6 Tb1 Tb1 68.4(3) . 2_577 ?
O7 Tb1 Tb1 67.6(2) 2_577 2_577 ?
O4 Tb1 Tb1 137.1(3) . 2_577 ?
O10 Tb1 Tb1 39.4(2) 1_445 2_577 ?
O5 Tb1 Tb1 113.9(3) . 2_577 ?
O11 Tb1 Tb1 85.6(2) 2_687 2_577 ?
O1 Tb1 Tb1 139.0(3) . 2_577 ?
O2 Tb1 Tb1 120.9(3) . 2_577 ?
O10 Tb1 Tb1 34.92(18) 2_687 2_577 ?
C23 Tb1 Tb1 59.9(3) 2_687 2_577 ?
N1 Tb1 Tb1 132.2(2) . 2_577 ?
O15 Tb2 O12 77.2(3) 2_676 2_686 ?
O15 Tb2 O19 84.0(4) 2_676 . ?
O12 Tb2 O19 79.4(4) 2_686 . ?
O15 Tb2 O14 124.8(4) 2_676 . ?
O12 Tb2 O14 91.8(4) 2_686 . ?
O19 Tb2 O14 147.5(4) . . ?
O15 Tb2 O13 75.1(3) 2_676 1_545 ?
O12 Tb2 O13 134.8(4) 2_686 1_545 ?
O19 Tb2 O13 131.3(4) . 1_545 ?
O14 Tb2 O13 76.1(3) . 1_545 ?
O15 Tb2 O20 144.7(3) 2_676 . ?
O12 Tb2 O20 72.2(4) 2_686 . ?
O19 Tb2 O20 73.6(4) . . ?
O14 Tb2 O20 73.9(4) . . ?
O13 Tb2 O20 139.9(3) 1_545 . ?
O15 Tb2 O16 136.0(4) 2_676 . ?
O12 Tb2 O16 144.0(4) 2_686 . ?
O19 Tb2 O16 89.6(5) . . ?
O14 Tb2 O16 79.3(4) . . ?
O13 Tb2 O16 77.0(4) 1_545 . ?
O20 Tb2 O16 71.8(4) . . ?
O15 Tb2 O17 87.4(4) 2_676 . ?
O12 Tb2 O17 145.6(4) 2_686 . ?
O19 Tb2 O17 68.4(4) . . ?
O14 Tb2 O17 122.0(4) . . ?
O13 Tb2 O17 67.2(4) 1_545 . ?
O20 Tb2 O17 108.2(4) . . ?
O16 Tb2 O17 50.2(5) . . ?
O15 Tb2 O15 77.5(3) 2_676 . ?
O12 Tb2 O15 68.6(3) 2_686 . ?
O19 Tb2 O15 145.8(4) . . ?
O14 Tb2 O15 48.8(3) . . ?
O13 Tb2 O15 71.0(3) 1_545 . ?
O20 Tb2 O15 106.4(3) . . ?
O16 Tb2 O15 123.6(4) . . ?
O17 Tb2 O15 138.0(4) . . ?
O15 Tb2 N6 111.0(5) 2_676 . ?
O12 Tb2 N6 156.9(4) 2_686 . ?
O19 Tb2 N6 80.1(5) . . ?
O14 Tb2 N6 99.9(4) . . ?
O13 Tb2 N6 67.9(4) 1_545 . ?
O20 Tb2 N6 91.9(4) . . ?
O16 Tb2 N6 25.5(5) . . ?
O17 Tb2 N6 25.0(5) . . ?
O15 Tb2 N6 133.5(4) . . ?
O15 Tb2 C14 101.4(4) 2_676 . ?
O12 Tb2 C14 80.8(4) 2_686 . ?
O19 Tb2 C14 157.8(4) . . ?
O14 Tb2 C14 23.9(4) . . ?
O13 Tb2 C14 70.7(4) 1_545 . ?
O20 Tb2 C14 90.8(4) . . ?
O16 Tb2 C14 100.6(4) . . ?
O17 Tb2 C14 132.9(4) . . ?
O15 Tb2 C14 24.9(3) . . ?
N6 Tb2 C14 116.9(4) . . ?
N7 C31 H31A 109.5 . . ?
N7 C31 H31B 109.5 . . ?
H31A C31 H31B 109.5 . . ?
N7 C31 H31C 109.5 . . ?
H31A C31 H31C 109.5 . . ?
H31B C31 H31C 109.5 . . ?
N7 C32 H32A 109.5 . . ?
N7 C32 H32B 109.5 . . ?
H32A C32 H32B 109.5 . . ?
N7 C32 H32C 109.5 . . ?
H32A C32 H32C 109.5 . . ?
H32B C32 H32C 109.5 . . ?
N7 C33 O21 118(3) . . ?
N7 C33 H33 121.2 . . ?
O21 C33 H33 121.2 . . ?
C33 N7 C32 120(3) . . ?
C33 N7 C31 126(3) . . ?
C32 N7 C31 113(2) . . ?

_diffrn_measured_fraction_theta_max 0.979
_diffrn_reflns_theta_full        25.01
_diffrn_measured_fraction_theta_full 0.979
_refine_diff_density_max         9.674
_refine_diff_density_min         -2.815
_refine_diff_density_rms         0.366
