# Electronic Supplementary Material (ESI) for ChemComm.
# This journal is © The Royal Society of Chemistry 2014


data_1

_audit_creation_method           SHELXL-97
_chemical_name_systematic        
; 
 ? 
;
_chemical_name_common            ?
_chemical_melting_point          ?
_chemical_formula_moiety         ?
_chemical_formula_sum            'C170 H143 Ce4 N29 O30'
_chemical_formula_weight         3632.61

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'
Ce Ce -0.2486 2.6331 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'

_symmetry_cell_setting           Tetragonal
_symmetry_space_group_name_H-M   'P4(2)/n  '

loop_
_symmetry_equiv_pos_as_xyz
'x, y, z'
'-x+1/2, -y+1/2, z'
'-y, x+1/2, z+1/2'
'y+1/2, -x, z+1/2'
'-x, -y, -z'
'x-1/2, y-1/2, -z'
'y, -x-1/2, -z-1/2'
'-y-1/2, x, -z-1/2'

_cell_length_a                   18.598(3)
_cell_length_b                   18.598(3)
_cell_length_c                   31.814(6)
_cell_angle_alpha                90.00
_cell_angle_beta                 90.00
_cell_angle_gamma                90.00
_cell_volume                     11004(3)
_cell_formula_units_Z            2
_cell_measurement_temperature    180(2)
_cell_measurement_reflns_used    3575
_cell_measurement_theta_min      2.19
_cell_measurement_theta_max      20.47

_exptl_crystal_description       block
_exptl_crystal_colour            black
_exptl_crystal_size_max          0.30
_exptl_crystal_size_mid          0.27
_exptl_crystal_size_min          0.18
_exptl_crystal_density_meas      ?
_exptl_crystal_density_diffrn    1.096
_exptl_crystal_density_method    'not measured'
_exptl_crystal_F_000             3676
_exptl_absorpt_coefficient_mu    0.872
_exptl_absorpt_correction_type   ?
_exptl_absorpt_correction_T_min  ?
_exptl_absorpt_correction_T_max  ?
_exptl_absorpt_process_details   ?

_exptl_special_details           
; 
 ? 
;

_diffrn_ambient_temperature      180(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  'CCD area detector'
_diffrn_measurement_method       'phi and omega scans'
_diffrn_detector_area_resol_mean ?
_diffrn_standards_number         ?
_diffrn_standards_interval_count ?
_diffrn_standards_interval_time  ?
_diffrn_standards_decay_%        ?
_diffrn_reflns_number            31815
_diffrn_reflns_av_R_equivalents  0.0751
_diffrn_reflns_av_sigmaI/netI    0.0957
_diffrn_reflns_limit_h_min       -16
_diffrn_reflns_limit_h_max       16
_diffrn_reflns_limit_k_min       -22
_diffrn_reflns_limit_k_max       21
_diffrn_reflns_limit_l_min       -12
_diffrn_reflns_limit_l_max       37
_diffrn_reflns_theta_min         2.01
_diffrn_reflns_theta_max         25.00
_reflns_number_total             9689
_reflns_number_gt                5166
_reflns_threshold_expression     >2sigma(I)

_computing_data_collection       'Bruker SMART'
_computing_cell_refinement       'Bruker SMART'
_computing_data_reduction        'Bruker SAINT'
_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. 
;

_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)+(0.1564P)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         9689
_refine_ls_number_parameters     575
_refine_ls_number_restraints     66
_refine_ls_R_factor_all          0.1269
_refine_ls_R_factor_gt           0.0710
_refine_ls_wR_factor_ref         0.2566
_refine_ls_wR_factor_gt          0.2276
_refine_ls_goodness_of_fit_ref   0.981
_refine_ls_restrained_S_all      0.981
_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
Ce1 Ce 0.97994(3) 1.49529(3) 0.152650(15) 0.0467(2) Uani 1 1 d . . .
O101 O 1.6018(3) 0.9359(3) 0.18083(19) 0.0593(16) Uani 1 1 d . . .
N101 N 1.6054(4) 1.0806(4) 0.2014(2) 0.0521(18) Uani 1 1 d . . .
C101 C 1.6674(5) 0.9331(5) 0.1975(3) 0.062(2) Uani 1 1 d . . .
C102 C 1.7057(7) 0.8689(6) 0.1962(4) 0.100(4) Uani 1 1 d . . .
H10B H 1.6854 0.8291 0.1831 0.120 Uiso 1 1 calc R . .
C103 C 1.7715(8) 0.8630(8) 0.2134(5) 0.131(6) Uani 1 1 d . . .
H10C H 1.7940 0.8183 0.2134 0.157 Uiso 1 1 calc R . .
C104 C 1.8060(9) 0.9197(9) 0.2307(6) 0.152(7) Uani 1 1 d . . .
H10D H 1.8521 0.9153 0.2417 0.182 Uiso 1 1 calc R . .
C105 C 1.7689(7) 0.9854(7) 0.2311(5) 0.121(5) Uani 1 1 d . . .
H10E H 1.7912 1.0262 0.2419 0.145 Uiso 1 1 calc R . .
C106 C 1.7002(5) 0.9904(6) 0.2159(3) 0.073(3) Uani 1 1 d . . .
C107 C 1.6645(6) 1.0610(6) 0.2183(3) 0.075(3) Uani 1 1 d . . .
H10F H 1.6880 1.0957 0.2341 0.090 Uiso 1 1 calc R . .
C108 C 1.5269(4) 1.1714(4) 0.1891(2) 0.0432(19) Uani 1 1 d . . .
C109 C 1.5025(4) 1.2462(4) 0.1964(2) 0.0408(18) Uani 1 1 d . . .
C110 C 1.5511(4) 1.3030(4) 0.2163(3) 0.049(2) Uani 1 1 d . . .
H11A H 1.5767 1.2809 0.2399 0.059 Uiso 1 1 calc R . .
C111 C 1.6064(5) 1.3309(6) 0.1853(4) 0.074(3) Uani 1 1 d D . .
C112 C 1.5865(8) 1.3729(9) 0.1531(5) 0.142(7) Uani 1 1 d DU . .
H11B H 1.5378 1.3825 0.1494 0.170 Uiso 1 1 calc R . .
C113 C 1.6355(11) 1.4028(11) 0.1248(6) 0.227(13) Uani 1 1 d DU . .
H11C H 1.6204 1.4331 0.1033 0.272 Uiso 1 1 calc R . .
C114 C 1.7051(11) 1.3861(10) 0.1299(7) 0.198(12) Uani 1 1 d DU . .
H11D H 1.7388 1.4076 0.1123 0.238 Uiso 1 1 calc R . .
C115 C 1.7293(7) 1.3382(13) 0.1601(6) 0.196(10) Uani 1 1 d DU . .
H11E H 1.7764 1.3216 0.1606 0.235 Uiso 1 1 calc R . .
C116 C 1.6782(7) 1.3162(9) 0.1898(4) 0.146(7) Uani 1 1 d D . .
H11F H 1.6935 1.2909 0.2134 0.176 Uiso 1 1 calc R . .
C117 C 1.5047(4) 1.3633(4) 0.2332(2) 0.0435(19) Uani 1 1 d . . .
C118 C 1.5275(4) 1.4131(4) 0.2666(2) 0.0440(19) Uani 1 1 d . . .
C119 C 1.6689(6) 1.4358(6) 0.3356(3) 0.073(3) Uani 1 1 d . . .
H11G H 1.7006 1.4048 0.3221 0.088 Uiso 1 1 calc R . .
C120 C 1.6948(6) 1.4729(7) 0.3731(3) 0.087(4) Uani 1 1 d . . .
C121 C 1.7682(7) 1.4631(11) 0.3823(5) 0.157(7) Uani 1 1 d . . .
H12A H 1.7970 1.4333 0.3659 0.188 Uiso 1 1 calc R . .
C122 C 1.7962(9) 1.5005(12) 0.4173(6) 0.181(9) Uani 1 1 d U . .
H12B H 1.8454 1.4993 0.4226 0.218 Uiso 1 1 calc R . .
C123 C 1.7506(9) 1.5394(12) 0.4441(6) 0.174(9) Uani 1 1 d U . .
H12C H 1.7684 1.5617 0.4682 0.209 Uiso 1 1 calc R . .
C124 C 1.6814(6) 1.5434(7) 0.4342(4) 0.093(4) Uani 1 1 d . . .
H12D H 1.6517 1.5708 0.4515 0.112 Uiso 1 1 calc R . .
C125 C 1.6507(6) 1.5099(6) 0.4002(3) 0.066(3) Uani 1 1 d . . .
C126 C 1.4378(4) 1.2641(4) 0.1818(2) 0.046(2) Uani 1 1 d . . .
H12E H 1.4131 1.2308 0.1654 0.055 Uiso 1 1 calc R . .
C127 C 1.4397(5) 1.3755(5) 0.2181(2) 0.049(2) Uani 1 1 d . . .
H12F H 1.4156 1.4168 0.2269 0.059 Uiso 1 1 calc R . .
C128 C 1.3361(4) 1.3488(5) 0.1729(3) 0.047(2) Uani 1 1 d . . .
C129 C 1.3192(5) 1.3330(5) 0.1327(3) 0.071(3) Uani 1 1 d . . .
H12G H 1.3505 1.3055 0.1165 0.085 Uiso 1 1 calc R . .
C130 C 1.2552(5) 1.3578(6) 0.1154(3) 0.075(3) Uani 1 1 d . . .
H13A H 1.2447 1.3486 0.0873 0.090 Uiso 1 1 calc R . .
C131 C 1.2079(4) 1.3953(5) 0.1393(3) 0.052(2) Uani 1 1 d . . .
C132 C 1.2236(5) 1.4059(6) 0.1821(3) 0.073(3) Uani 1 1 d . . .
H13B H 1.1910 1.4293 0.1996 0.088 Uiso 1 1 calc R . .
C133 C 1.2864(6) 1.3818(6) 0.1974(3) 0.082(3) Uani 1 1 d . . .
H13C H 1.2962 1.3878 0.2259 0.099 Uiso 1 1 calc R . .
C134 C 1.1366(5) 1.4272(5) 0.1257(3) 0.053(2) Uani 1 1 d . . .
C135 C 1.0070(6) 1.4170(5) 0.0489(3) 0.069(3) Uani 1 1 d . . .
H13D H 1.0342 1.3924 0.0290 0.082 Uiso 1 1 calc R . .
C136 C 0.9350(5) 1.4391(5) 0.0374(3) 0.063(3) Uani 1 1 d . . .
C137 C 0.9179(7) 1.4382(6) -0.0050(3) 0.087(3) Uani 1 1 d . . .
H13E H 0.9522 1.4215 -0.0239 0.104 Uiso 1 1 calc R . .
C138 C 0.8532(7) 1.4608(8) -0.0204(4) 0.104(5) Uani 1 1 d . . .
H13F H 0.8430 1.4599 -0.0490 0.124 Uiso 1 1 calc R . .
C139 C 0.8042(8) 1.4847(8) 0.0084(5) 0.117(5) Uani 1 1 d . . .
H13G H 0.7602 1.5016 -0.0012 0.140 Uiso 1 1 calc R . .
C140 C 0.8173(5) 1.4848(6) 0.0513(4) 0.086(4) Uani 1 1 d . . .
H14A H 0.7818 1.5003 0.0698 0.103 Uiso 1 1 calc R . .
C141 C 0.8851(5) 1.4611(5) 0.0671(3) 0.058(2) Uani 1 1 d . . .
O102 O 1.4926(3) 1.1297(3) 0.16460(18) 0.0526(15) Uani 1 1 d . . .
N102 N 1.5844(4) 1.1503(4) 0.2090(2) 0.058(2) Uani 1 1 d . . .
H10G H 1.6076 1.1781 0.2258 0.070 Uiso 1 1 calc R . .
O103 O 1.5816(3) 1.5113(4) 0.39516(18) 0.0639(17) Uani 1 1 d . . .
N103 N 1.6061(4) 1.4426(4) 0.3200(2) 0.0528(18) Uani 1 1 d . . .
O104 O 1.4901(3) 1.4639(3) 0.27692(18) 0.0511(15) Uani 1 1 d . . .
N104 N 1.5913(4) 1.3985(4) 0.2853(2) 0.0529(18) Uani 1 1 d . . .
H10I H 1.6200 1.3653 0.2767 0.064 Uiso 1 1 calc R . .
O105 O 0.8965(3) 1.4591(3) 0.1084(2) 0.0624(17) Uani 1 1 d . . .
N105 N 1.0360(4) 1.4297(4) 0.0858(2) 0.0500(18) Uani 1 1 d . . .
O106 O 1.1102(3) 1.4773(3) 0.14761(18) 0.0537(15) Uani 1 1 d . . .
N106 N 1.1027(4) 1.4032(4) 0.0921(2) 0.0524(18) Uani 1 1 d . . .
H10J H 1.1219 1.3726 0.0753 0.063 Uiso 1 1 calc R . .
N107 N 1.4051(4) 1.3301(4) 0.1897(2) 0.0547(18) Uani 1 1 d . . .
C201 C 0.8843(19) 1.1874(19) 0.0220(10) 0.084(10) Uani 0.25 1 d PDU . .
H20A H 0.8345 1.1956 0.0157 0.126 Uiso 0.25 1 calc PR . .
H20B H 0.8907 1.1385 0.0310 0.126 Uiso 0.25 1 calc PR . .
H20C H 0.9127 1.1960 -0.0027 0.126 Uiso 0.25 1 calc PR . .
C202 C 0.8512(15) 1.2883(15) 0.0784(10) 0.066(9) Uani 0.25 1 d PDU . .
H20D H 0.8697 1.3146 0.1020 0.099 Uiso 0.25 1 calc PR . .
H20E H 0.8123 1.2581 0.0874 0.099 Uiso 0.25 1 calc PR . .
H20F H 0.8341 1.3214 0.0575 0.099 Uiso 0.25 1 calc PR . .
C203 C 0.9852(15) 1.2357(17) 0.0740(10) 0.056(7) Uani 0.25 1 d PDU . .
H20G H 0.9972 1.2575 0.0993 0.067 Uiso 0.25 1 calc PR . .
N201 N 0.9101(14) 1.2424(12) 0.0599(7) 0.042(5) Uani 0.25 1 d PU . .
O201 O 1.0247(13) 1.2096(13) 0.0586(8) 0.057(6) Uani 0.25 1 d PU . .
O1W O 1.8173(17) 1.2347(17) 0.2980(9) 0.091(9) Uiso 0.25 1 d P . .
O2W O 1.888(3) 1.322(3) 0.2992(17) 0.082(16) Uiso 0.13 1 d P . .
C1 C 1.7500 1.7500 0.4918(14) 0.052(12) Uiso 0.25 2 d SP . .
O1 O 1.693(3) 1.772(3) 0.4918(15) 0.070(14) Uiso 0.13 1 d P . .
C2 C 1.954(3) 1.437(3) 0.3398(16) 0.031(13) Uiso 0.13 1 d P A 1
O2 O 1.993(2) 1.449(3) 0.3816(15) 0.060(12) Uiso 0.13 1 d P A 1
O3W O 1.934(3) 1.525(3) 0.3173(18) 0.086(17) Uiso 0.13 1 d P B 2
C3 C 1.1297(11) 1.2710(11) 0.0488(6) 0.057(5) Uiso 0.50 1 d P . .
O3 O 1.1467(9) 1.2938(9) 0.0364(5) 0.081(5) Uiso 0.50 1 d P . .


_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
Ce1 O101 2.181(6) 2_775 ?
Ce1 O105 2.201(6) . ?
Ce1 O103 2.217(6) 8_856 ?
Ce1 O102 2.409(6) 2_775 ?
Ce1 O106 2.451(6) . ?
Ce1 O104 2.474(6) 8_856 ?
Ce1 N101 2.631(7) 2_775 ?
Ce1 N103 2.661(7) 8_856 ?
Ce1 N105 2.664(7) . ?
O101 C101 1.331(11) . ?
O101 Ce1 2.181(6) 2_775 ?
N101 C107 1.276(11) . ?
N101 N102 1.375(9) . ?
N101 Ce1 2.631(7) 2_775 ?
C101 C106 1.361(13) . ?
C101 C102 1.391(14) . ?
C102 C103 1.344(17) . ?
C103 C104 1.351(19) . ?
C104 C105 1.405(18) . ?
C105 C106 1.368(14) . ?
C106 C107 1.474(14) . ?
C108 O102 1.271(9) . ?
C108 N102 1.304(10) . ?
C108 C109 1.481(11) . ?
C109 C126 1.333(10) . ?
C109 C110 1.528(11) . ?
C110 C117 1.514(11) . ?
C110 C111 1.516(13) . ?
C111 C112 1.339(13) . ?
C111 C116 1.371(13) . ?
C112 C113 1.396(14) . ?
C113 C114 1.342(16) . ?
C114 C115 1.383(16) . ?
C115 C116 1.403(14) . ?
C117 C127 1.322(11) . ?
C117 C118 1.473(10) . ?
C118 O104 1.218(9) . ?
C118 N104 1.354(10) . ?
C119 N103 1.276(11) . ?
C119 C120 1.459(13) . ?
C120 C125 1.376(14) . ?
C120 C121 1.407(16) . ?
C121 C122 1.413(19) . ?
C122 C123 1.41(2) . ?
C123 C124 1.328(17) . ?
C124 C125 1.373(13) . ?
C125 O103 1.295(11) . ?
C126 N107 1.393(10) . ?
C127 N107 1.395(10) . ?
C128 C129 1.349(11) . ?
C128 C133 1.356(12) . ?
C128 N107 1.434(10) . ?
C129 C130 1.391(13) . ?
C130 C131 1.355(12) . ?
C131 C132 1.409(12) . ?
C131 C134 1.514(12) . ?
C132 C133 1.343(13) . ?
C134 O106 1.264(10) . ?
C134 N106 1.318(11) . ?
C135 N105 1.315(11) . ?
C135 C136 1.447(13) . ?
C136 C141 1.385(13) . ?
C136 C137 1.386(13) . ?
C137 C138 1.364(16) . ?
C138 C139 1.366(18) . ?
C139 C140 1.386(16) . ?
C140 C141 1.427(13) . ?
C141 O105 1.331(10) . ?
O102 Ce1 2.409(6) 2_775 ?
O103 Ce1 2.217(6) 7_586 ?
N103 N104 1.402(9) . ?
N103 Ce1 2.661(7) 7_586 ?
O104 Ce1 2.474(6) 7_586 ?
N105 N106 1.350(9) . ?
C201 N201 1.65(4) . ?
C202 N201 1.51(4) . ?
C203 O201 1.01(3) . ?
C203 N201 1.47(4) . ?
C1 O1 1.14(5) 2_885 ?
C1 O1 1.14(5) . ?
C2 O2 1.53(7) . ?
C3 O3 0.66(2) . ?

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
O101 Ce1 O105 87.2(2) 2_775 . ?
O101 Ce1 O103 84.8(2) 2_775 8_856 ?
O105 Ce1 O103 80.5(2) . 8_856 ?
O101 Ce1 O102 130.5(2) 2_775 2_775 ?
O105 Ce1 O102 87.4(2) . 2_775 ?
O103 Ce1 O102 142.2(2) 8_856 2_775 ?
O101 Ce1 O106 142.8(2) 2_775 . ?
O105 Ce1 O106 127.8(2) . . ?
O103 Ce1 O106 88.9(2) 8_856 . ?
O102 Ce1 O106 70.7(2) 2_775 . ?
O101 Ce1 O104 86.9(2) 2_775 8_856 ?
O105 Ce1 O104 149.9(2) . 8_856 ?
O103 Ce1 O104 128.2(2) 8_856 8_856 ?
O102 Ce1 O104 74.3(2) 2_775 8_856 ?
O106 Ce1 O104 68.68(19) . 8_856 ?
O101 Ce1 N101 69.6(2) 2_775 2_775 ?
O105 Ce1 N101 77.8(2) . 2_775 ?
O103 Ce1 N101 146.9(2) 8_856 2_775 ?
O102 Ce1 N101 61.1(2) 2_775 2_775 ?
O106 Ce1 N101 124.2(2) . 2_775 ?
O104 Ce1 N101 72.5(2) 8_856 2_775 ?
O101 Ce1 N103 77.8(2) 2_775 8_856 ?
O105 Ce1 N103 145.9(2) . 8_856 ?
O103 Ce1 N103 67.9(2) 8_856 8_856 ?
O102 Ce1 N103 125.5(2) 2_775 8_856 ?
O106 Ce1 N103 65.9(2) . 8_856 ?
O104 Ce1 N103 60.35(19) 8_856 8_856 ?
N101 Ce1 N103 123.3(2) 2_775 8_856 ?
O101 Ce1 N105 150.5(2) 2_775 . ?
O105 Ce1 N105 68.0(2) . . ?
O103 Ce1 N105 75.8(2) 8_856 . ?
O102 Ce1 N105 66.5(2) 2_775 . ?
O106 Ce1 N105 59.9(2) . . ?
O104 Ce1 N105 122.6(2) 8_856 . ?
N101 Ce1 N105 117.5(2) 2_775 . ?
N103 Ce1 N105 113.9(2) 8_856 . ?
C101 O101 Ce1 145.7(6) . 2_775 ?
C107 N101 N102 116.2(8) . . ?
C107 N101 Ce1 127.9(6) . 2_775 ?
N102 N101 Ce1 116.0(5) . 2_775 ?
O101 C101 C106 123.5(9) . . ?
O101 C101 C102 119.4(10) . . ?
C106 C101 C102 117.0(10) . . ?
C103 C102 C101 121.6(12) . . ?
C102 C103 C104 122.3(13) . . ?
C103 C104 C105 116.7(13) . . ?
C106 C105 C104 120.9(12) . . ?
C101 C106 C105 121.2(10) . . ?
C101 C106 C107 121.1(9) . . ?
C105 C106 C107 117.6(10) . . ?
N101 C107 C106 128.5(9) . . ?
O102 C108 N102 121.7(7) . . ?
O102 C108 C109 121.0(7) . . ?
N102 C108 C109 117.2(7) . . ?
C126 C109 C108 117.2(7) . . ?
C126 C109 C110 120.4(7) . . ?
C108 C109 C110 122.2(7) . . ?
C117 C110 C111 111.4(7) . . ?
C117 C110 C109 108.8(6) . . ?
C111 C110 C109 111.6(7) . . ?
C112 C111 C116 117.8(12) . . ?
C112 C111 C110 120.7(10) . . ?
C116 C111 C110 121.5(11) . . ?
C111 C112 C113 123.0(14) . . ?
C114 C113 C112 117.4(15) . . ?
C113 C114 C115 123.1(14) . . ?
C114 C115 C116 115.9(16) . . ?
C111 C116 C115 122.0(14) . . ?
C127 C117 C118 114.7(7) . . ?
C127 C117 C110 121.3(7) . . ?
C118 C117 C110 124.0(7) . . ?
O104 C118 N104 122.7(7) . . ?
O104 C118 C117 121.1(7) . . ?
N104 C118 C117 116.2(7) . . ?
N103 C119 C120 125.1(10) . . ?
C125 C120 C121 120.9(11) . . ?
C125 C120 C119 123.5(10) . . ?
C121 C120 C119 115.4(12) . . ?
C120 C121 C122 117.3(15) . . ?
C123 C122 C121 120.7(15) . . ?
C124 C123 C122 118.0(14) . . ?
C123 C124 C125 124.4(13) . . ?
O103 C125 C124 120.1(10) . . ?
O103 C125 C120 121.6(9) . . ?
C124 C125 C120 118.2(10) . . ?
C109 C126 N107 123.5(7) . . ?
C117 C127 N107 123.6(8) . . ?
C129 C128 C133 119.2(8) . . ?
C129 C128 N107 120.6(7) . . ?
C133 C128 N107 120.3(8) . . ?
C128 C129 C130 120.1(8) . . ?
C131 C130 C129 120.4(9) . . ?
C130 C131 C132 118.6(8) . . ?
C130 C131 C134 127.6(8) . . ?
C132 C131 C134 113.8(8) . . ?
C133 C132 C131 119.0(9) . . ?
C132 C133 C128 122.3(9) . . ?
O106 C134 N106 120.7(8) . . ?
O106 C134 C131 118.1(8) . . ?
N106 C134 C131 121.1(8) . . ?
N105 C135 C136 123.6(9) . . ?
C141 C136 C137 120.8(9) . . ?
C141 C136 C135 122.2(9) . . ?
C137 C136 C135 117.0(10) . . ?
C138 C137 C136 123.3(12) . . ?
C137 C138 C139 116.6(12) . . ?
C138 C139 C140 122.9(12) . . ?
C139 C140 C141 120.0(12) . . ?
O105 C141 C136 123.8(8) . . ?
O105 C141 C140 119.8(9) . . ?
C136 C141 C140 116.4(9) . . ?
C108 O102 Ce1 125.4(5) . 2_775 ?
C108 N102 N101 115.6(7) . . ?
C125 O103 Ce1 143.6(6) . 7_586 ?
C119 N103 N104 115.4(8) . . ?
C119 N103 Ce1 129.4(6) . 7_586 ?
N104 N103 Ce1 115.0(5) . 7_586 ?
C118 O104 Ce1 123.2(5) . 7_586 ?
C118 N104 N103 113.5(7) . . ?
C141 O105 Ce1 137.4(5) . . ?
C135 N105 N106 116.3(7) . . ?
C135 N105 Ce1 129.5(6) . . ?
N106 N105 Ce1 114.1(5) . . ?
C134 O106 Ce1 121.4(6) . . ?
C134 N106 N105 115.9(7) . . ?
C126 N107 C127 116.7(7) . . ?
C126 N107 C128 122.5(7) . . ?
C127 N107 C128 120.5(7) . . ?
O201 C203 N201 126(3) . . ?
C203 N201 C202 128(2) . . ?
C203 N201 C201 116(2) . . ?
C202 N201 C201 115(2) . . ?
O1 C1 O1 180(7) 2_885 . ?

_diffrn_measured_fraction_theta_max 0.999
_diffrn_reflns_theta_full        25.00
_diffrn_measured_fraction_theta_full 0.999
_refine_diff_density_max         1.110
_refine_diff_density_min         -0.521
_refine_diff_density_rms         0.141
_database_code_depnum_ccdc_archive 'CCDC 972499'
