# Electronic Supplementary Material (ESI) for Dalton Transactions.
# This journal is © The Royal Society of Chemistry 2016

####################################################################### 
# 
# 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_s1965c
_database_code_depnum_ccdc_archive 'CCDC 1487793'
_audit_update_record             
;
2016-06-27 deposited with the CCDC.
2016-09-12 downloaded from the CCDC.
;

_audit_creation_method           SHELXL-97
_chemical_name_systematic        
; 
 ? 
;
_chemical_name_common            ?
_chemical_melting_point          ?
_chemical_formula_moiety         ?
_chemical_formula_sum            'C153.90 H271.80 Cr6 Dy14 N7.50 O147 S4.95'
_chemical_formula_weight         7325.09

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'
S S 0.1246 0.1234 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Cr Cr 0.3209 0.6236 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Dy Dy -0.1892 4.4098 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'

_symmetry_cell_setting           Trigonal
_symmetry_space_group_name_H-M   P31C

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

_cell_length_a                   23.9817(4)
_cell_length_b                   23.9817(4)
_cell_length_c                   31.9326(4)
_cell_angle_alpha                90.00
_cell_angle_beta                 90.00
_cell_angle_gamma                120.00
_cell_volume                     15904.7(4)
_cell_formula_units_Z            2
_cell_measurement_temperature    120.0(1)
_cell_measurement_reflns_used    21711
_cell_measurement_theta_min      3.1950
_cell_measurement_theta_max      26.0040

_exptl_crystal_description       block
_exptl_crystal_colour            purple
_exptl_crystal_size_max          0.39
_exptl_crystal_size_mid          0.29
_exptl_crystal_size_min          0.22
_exptl_crystal_density_meas      ?
_exptl_crystal_density_diffrn    1.530
_exptl_crystal_density_method    'not measured'
_exptl_crystal_F_000             7142
_exptl_absorpt_coefficient_mu    3.553
_exptl_absorpt_correction_type   analytical
_exptl_absorpt_correction_T_min  0.2905
_exptl_absorpt_correction_T_max  0.5109
_exptl_absorpt_process_details   
;
CrysAlisPro, Agilent Technologies,
Version 1.171.36.28 (release 01-02-2013 CrysAlis171 .NET)
(compiled Feb  1 2013,16:14:44)
Analytical numeric absorption correction using a multifaceted crystal
			model based on expressions derived by R.C. Clark & J.S. Reid.
(Clark, R. C. & Reid, J. S. (1995). Acta Cryst. A51, 887-897)
;

_exptl_special_details           
; 
 ? 
;

_diffrn_ambient_temperature      120.0(1)
_diffrn_radiation_wavelength     0.71073
_diffrn_radiation_type           MoK\a
_diffrn_radiation_source         'SuperNova (Mo) X-ray Source'
_diffrn_radiation_monochromator  mirror
_diffrn_measurement_device_type  'SuperNova, Dual, Cu at zero, Atlas'
_diffrn_measurement_method       'ω scans'
_diffrn_detector_area_resol_mean 10.4623
_diffrn_reflns_number            92526
_diffrn_reflns_av_R_equivalents  0.0893
_diffrn_reflns_av_sigmaI/netI    0.0725
_diffrn_reflns_limit_h_min       -27
_diffrn_reflns_limit_h_max       27
_diffrn_reflns_limit_k_min       -27
_diffrn_reflns_limit_k_max       27
_diffrn_reflns_limit_l_min       -36
_diffrn_reflns_limit_l_max       37
_diffrn_reflns_theta_min         4.11
_diffrn_reflns_theta_max         24.41
_reflns_number_total             17367
_reflns_number_gt                12219
_reflns_threshold_expression     >2sigma(I)

_computing_data_collection       
;
CrysAlisPro, Agilent Technologies,
Version 1.171.36.28 (release 01-02-2013 CrysAlis171 .NET)
(compiled Feb  1 2013,16:14:44)
;
_computing_cell_refinement       
;
CrysAlisPro, Agilent Technologies,
Version 1.171.36.28 (release 01-02-2013 CrysAlis171 .NET)
(compiled Feb  1 2013,16:14:44)
;
_computing_data_reduction        
;
CrysAlisPro, Agilent Technologies,
Version 1.171.36.28 (release 01-02-2013 CrysAlis171 .NET)
(compiled Feb  1 2013,16:14:44)
;
_computing_structure_solution    'SHELXS-97 (Sheldrick, 2008)'
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 2008)'

_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)+(0.1196P)²+208.2740P] where P=(Fo²+2Fc²)/3'
_atom_sites_solution_primary     direct
_atom_sites_solution_secondary   difmap
_atom_sites_solution_hydrogens   geom
_refine_ls_hydrogen_treatment    constr
_refine_ls_extinction_method     none
_refine_ls_extinction_coef       ?
_refine_ls_abs_structure_details 'Flack H D (1983), Acta Cryst. A39, 876-881'
_refine_ls_abs_structure_Flack   0.36(2)
_refine_ls_number_reflns         17367
_refine_ls_number_parameters     1058
_refine_ls_number_restraints     51
_refine_ls_R_factor_all          0.1314
_refine_ls_R_factor_gt           0.0865
_refine_ls_wR_factor_ref         0.2467
_refine_ls_wR_factor_gt          0.2054
_refine_ls_goodness_of_fit_ref   1.091
_refine_ls_restrained_S_all      1.090
_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
Dy1 Dy -1.60193(6) 0.21078(6) 1.81622(3) 0.0593(3) Uani 1 1 d . . .
Dy2 Dy -1.49506(6) 0.12471(5) 1.84697(3) 0.0512(3) Uani 1 1 d . . .
Dy3 Dy -1.52220(6) 0.33664(6) 2.08218(3) 0.0531(3) Uani 1 1 d . . .
Dy4 Dy -1.59096(6) 0.14724(6) 2.11272(4) 0.0633(3) Uani 1 1 d . . .
Dy5 Dy -1.3333 0.3333 2.22922(5) 0.0535(5) Uani 1 3 d S . .
Dy6 Dy -1.6667 0.6667 2.20184(5) 0.0560(5) Uani 1 3 d S . .
Cr1 Cr -1.6473(2) 0.07689(19) 1.87304(11) 0.0592(10) Uani 1 1 d . . .
Cr2 Cr -1.6664(2) 0.2101(2) 2.05855(12) 0.0665(11) Uani 1 1 d . . .
N1 N -1.7275(10) -0.0125(14) 1.8577(7) 0.083(7) Uani 1 1 d . . .
O1N1 O -1.5965(9) 0.0430(8) 1.8455(5) 0.064(4) Uani 1 1 d . . .
O2N1 O -1.6709(8) 0.1019(9) 1.8203(5) 0.077(5) Uani 1 1 d . . .
C1N1 C -1.7039(17) -0.0463(17) 1.8366(9) 0.100(11) Uani 1 1 d . . .
H1NA H -1.7349 -0.0731 1.8147 0.119 Uiso 1 1 calc R . .
H1NB H -1.6991 -0.0755 1.8564 0.119 Uiso 1 1 calc R . .
C2N1 C -1.6392(14) -0.0014(16) 1.8166(9) 0.087(10) Uani 1 1 d . . .
H2NA H -1.6207 -0.0270 1.8052 0.104 Uiso 1 1 calc R . .
H2NB H -1.6454 0.0219 1.7931 0.104 Uiso 1 1 calc R . .
C3N1 C -1.7668(14) 0.0020(14) 1.8353(12) 0.091(10) Uani 1 1 d . . .
H3NC H -1.7885 0.0177 1.8544 0.110 Uiso 1 1 calc R . .
H3ND H -1.8003 -0.0372 1.8211 0.110 Uiso 1 1 calc R . .
C4N1 C -1.7258(17) 0.0561(15) 1.8014(9) 0.101(12) Uani 1 1 d . . .
H4NA H -1.7150 0.0369 1.7775 0.121 Uiso 1 1 calc R . .
H4NB H -1.7509 0.0755 1.7907 0.121 Uiso 1 1 calc R . .
C5N1 C -1.7630(15) -0.0476(18) 1.8968(12) 0.122(15) Uani 1 1 d . . .
H5NA H -1.7784 -0.0214 1.9115 0.146 Uiso 1 1 calc R . .
H5NB H -1.7327 -0.0520 1.9157 0.146 Uiso 1 1 calc R . .
C6N1 C -1.8224(18) -0.1166(15) 1.8877(14) 0.134(18) Uani 1 1 d . . .
H6NA H -1.8092 -0.1428 1.8710 0.160 Uiso 1 1 calc R . .
H6NB H -1.8566 -0.1134 1.8725 0.160 Uiso 1 1 calc R . .
C7N1 C -1.848(2) -0.149(2) 1.9361(14) 0.15(2) Uani 1 1 d . . .
H7NA H -1.8178 -0.1611 1.9484 0.179 Uiso 1 1 calc R . .
H7NB H -1.8505 -0.1173 1.9548 0.179 Uiso 1 1 calc R . .
C8N1 C -1.916(3) -0.210(3) 1.9314(18) 0.21(3) Uani 1 1 d . . .
H8NA H -1.9335 -0.2269 1.9592 0.316 Uiso 1 1 calc R . .
H8NB H -1.9124 -0.2425 1.9151 0.316 Uiso 1 1 calc R . .
H8NC H -1.9446 -0.1981 1.9168 0.316 Uiso 1 1 calc R . .
O1X1 O -1.3948(8) 0.1923(8) 1.8090(4) 0.056(4) Uani 1 1 d . . .
O2X1 O -1.4900(8) 0.2924(8) 1.8027(4) 0.056(4) Uani 1 1 d . . .
O3X1 O -1.5575(9) 0.3047(9) 1.8612(4) 0.065(5) Uani 1 1 d . . .
O4X1 O -1.4047(8) 0.1181(7) 1.8744(4) 0.052(4) Uani 1 1 d . . .
C1X1 C -1.3464(12) 0.1887(10) 1.8181(7) 0.049(6) Uani 1 1 d . . .
C2X1 C -1.5030(12) 0.3528(12) 1.8543(6) 0.049(6) Uani 1 1 d . . .
O1G1 O -1.4425(6) 0.2246(7) 1.8805(4) 0.045(3) Uani 1 1 d . . .
O2G1 O -1.4462(7) 0.3005(7) 1.9201(5) 0.050(4) Uani 1 1 d . . .
O3G1 O -1.5677(8) 0.1625(8) 1.8719(4) 0.054(4) Uani 1 1 d . . .
C1G1 C -1.4713(12) 0.2465(10) 1.9043(7) 0.049(5) Uani 1 1 d . . .
C2G1 C -1.5445(11) 0.2034(11) 1.9099(6) 0.050(6) Uani 1 1 d . . .
H2GA H -1.5542 0.1763 1.9353 0.060 Uiso 1 1 calc R . .
H2GB H -1.5653 0.2299 1.9126 0.060 Uiso 1 1 calc R . .
O1A1 O -1.6773(8) 0.1946(9) 1.8721(5) 0.063(4) Uani 1 1 d . . .
O2A1 O -1.7007(8) 0.1053(9) 1.9045(5) 0.066(5) Uani 1 1 d . . .
C1A1 C -1.7067(12) 0.1509(15) 1.8982(7) 0.055(6) Uani 1 1 d . . .
C2A1 C -1.7532(15) 0.1585(17) 1.9244(9) 0.083(9) Uani 1 1 d . . .
H2AJ H -1.7732 0.1228 1.9444 0.124 Uiso 1 1 calc R . .
H2AK H -1.7865 0.1583 1.9065 0.124 Uiso 1 1 calc R . .
H2AL H -1.7307 0.1994 1.9396 0.124 Uiso 1 1 calc R . .
O1A2 O -1.6236(9) 0.0524(8) 1.9281(4) 0.066(5) Uani 1 1 d . . .
O2A2 O -1.5217(7) 0.0855(7) 1.9168(4) 0.054(4) Uani 1 1 d . . .
C1A2 C -1.5719(12) 0.0526(13) 1.9377(7) 0.057(6) Uani 1 1 d . . .
C2A2 C -1.5724(16) 0.0203(17) 1.9771(8) 0.083(9) Uani 1 1 d . . .
H2AG H -1.6161 -0.0022 1.9886 0.124 Uiso 1 1 calc R . .
H2AH H -1.5433 0.0525 1.9973 0.124 Uiso 1 1 calc R . .
H2AI H -1.5580 -0.0107 1.9717 0.124 Uiso 1 1 calc R . .
O1A3 O -1.5860(8) 0.1828(8) 1.7468(5) 0.058(4) Uani 1 1 d . . .
O2A3 O -1.5304(9) 0.1614(9) 1.7920(5) 0.074(5) Uani 1 1 d . . .
C1A3 C -1.5486(10) 0.1590(13) 1.7534(7) 0.057(6) Uani 1 1 d . . .
C2A3 C -1.5242(14) 0.1364(12) 1.7189(8) 0.070(8) Uani 1 1 d . . .
H2AD H -1.5014 0.1154 1.7304 0.105 Uiso 1 1 calc R . .
H2AE H -1.4946 0.1731 1.7016 0.105 Uiso 1 1 calc R . .
H2AF H -1.5604 0.1055 1.7017 0.105 Uiso 1 1 calc R . .
O1A4 O -1.6035(10) 0.2940(9) 1.7714(5) 0.071(5) Uani 1 1 d . . .
O2A4 O -1.6932(10) 0.2014(12) 1.7784(6) 0.080(6) Uani 1 1 d . . .
C1A4 C -1.6640(19) 0.251(2) 1.7620(10) 0.093(10) Uani 1 1 d . . .
C2A4 C -1.6874(18) 0.277(2) 1.7234(9) 0.120(15) Uani 1 1 d . . .
H2AA H -1.7248 0.2802 1.7319 0.180 Uiso 1 1 calc R . .
H2AB H -1.6994 0.2466 1.6998 0.180 Uiso 1 1 calc R . .
H2AC H -1.6524 0.3191 1.7149 0.180 Uiso 1 1 calc R . .
O1A5 O -1.4860(9) 0.0530(7) 1.8037(4) 0.061(5) Uani 1 1 d . . .
O2A5 O -1.4977(11) -0.0342(11) 1.7728(8) 0.103(7) Uani 1 1 d . . .
C1A5 C -1.4962(14) 0.0000(15) 1.8027(7) 0.069(8) Uani 1 1 d . . .
C2A5 C -1.5087(16) -0.0368(14) 1.8474(10) 0.085(9) Uani 1 1 d . . .
C3A5 C -1.506(5) -0.102(5) 1.850(3) 0.07(3) Uiso 0.25 1 d P . .
S5 S -1.514(4) -0.165(4) 1.813(2) 0.025(17) Uiso 0.05 1 d P . .
S5A S -1.4911(13) -0.1342(13) 1.8789(8) 0.044(6) Uiso 0.20 1 d P . .
N2 N -1.7578(8) 0.1964(10) 2.0753(7) 0.066(6) Uani 1 1 d DU . .
O1N2 O -1.6297(8) 0.2922(9) 2.0866(4) 0.062(4) Uani 1 1 d . . .
O2N2 O -1.6751(8) 0.1663(10) 2.1107(5) 0.072(5) Uani 1 1 d . . .
C1N2 C -1.7410(16) 0.2617(14) 2.0949(14) 0.135(14) Uani 1 1 d DU . .
H1NC H -1.7436 0.2898 2.0732 0.162 Uiso 1 1 calc R . .
H1ND H -1.7726 0.2549 2.1171 0.162 Uiso 1 1 calc R . .
C2N2 C -1.6803(16) 0.291(2) 2.1115(14) 0.129(14) Uani 1 1 d DU . .
H2NC H -1.6823 0.2692 2.1383 0.154 Uiso 1 1 calc R . .
H2ND H -1.6679 0.3360 2.1183 0.154 Uiso 1 1 calc R . .
C3N2 C -1.7798(17) 0.143(2) 2.1068(11) 0.142(18) Uani 1 1 d D . .
H3NA H -1.8110 0.1451 2.1260 0.170 Uiso 1 1 calc R . .
H3NB H -1.8025 0.1012 2.0918 0.170 Uiso 1 1 calc R . .
C4N2 C -1.7310(18) 0.145(2) 2.1300(11) 0.120(15) Uani 1 1 d D . .
H4NC H -1.7241 0.1719 2.1549 0.144 Uiso 1 1 calc R . .
H4ND H -1.7452 0.1005 2.1401 0.144 Uiso 1 1 calc R . .
C5N2 C -1.8022(12) 0.1793(14) 2.0393(10) 0.073(8) Uani 1 1 d . . .
H5NC H -1.7841 0.2159 2.0195 0.087 Uiso 1 1 calc R . .
H5ND H -1.8039 0.1421 2.0248 0.087 Uiso 1 1 calc R . .
C6N2 C -1.8693(12) 0.1630(18) 2.0498(14) 0.112(14) Uani 1 1 d . . .
H6NC H -1.8863 0.1284 2.0711 0.134 Uiso 1 1 calc R . .
H6ND H -1.8677 0.2013 2.0627 0.134 Uiso 1 1 calc R . .
C7N2 C -1.912(2) 0.143(3) 2.0168(17) 0.154(19) Uani 1 1 d U . .
H7NC H -1.9054 0.1117 2.0008 0.185 Uiso 1 1 calc R . .
H7ND H -1.8978 0.1812 1.9984 0.185 Uiso 1 1 calc R . .
C8N2 C -1.981(2) 0.115(2) 2.021(3) 0.22(3) Uani 1 1 d U . .
H8ND H -2.0010 0.1077 1.9935 0.329 Uiso 1 1 calc R . .
H8NE H -1.9905 0.1444 2.0372 0.329 Uiso 1 1 calc R . .
H8NF H -1.9988 0.0739 2.0362 0.329 Uiso 1 1 calc R . .
O1X2 O -1.5315(8) 0.1164(8) 2.0662(4) 0.057(4) Uani 1 1 d . . .
O2X2 O -1.4447(8) 0.4371(8) 2.0538(4) 0.054(4) Uani 1 1 d . . .
O3X2 O -1.4225(9) 0.3830(9) 2.1202(4) 0.058(4) Uani 1 1 d . . .
O4X2 O -1.4758(8) 0.1992(8) 2.1282(5) 0.057(4) Uani 1 1 d . . .
C1X2 C -1.4748(16) 0.1318(14) 2.0721(6) 0.064(7) Uani 1 1 d . . .
C2X2 C -1.4400(15) 0.1811(12) 2.1122(6) 0.057(7) Uani 1 1 d . . .
O1G2 O -1.4539(7) 0.3052(8) 2.0469(4) 0.049(4) Uani 1 1 d . . .
O2G2 O -1.4424(8) 0.2382(8) 2.0064(4) 0.055(4) Uani 1 1 d . . .
O3G2 O -1.5771(7) 0.2240(8) 2.0576(5) 0.055(4) Uani 1 1 d . . .
C1G2 C -1.4771(11) 0.2539(11) 2.0236(7) 0.049(5) Uani 1 1 d . . .
C2G2 C -1.5487(12) 0.2162(13) 2.0204(6) 0.059(7) Uani 1 1 d . . .
H2GC H -1.5630 0.2311 1.9959 0.070 Uiso 1 1 calc R . .
H2GD H -1.5629 0.1701 2.0163 0.070 Uiso 1 1 calc R . .
O1A6 O -1.5563(8) 0.3420(9) 2.0131(4) 0.065(5) Uani 1 1 d . . .
O2A6 O -1.6553(9) 0.2567(10) 2.0043(5) 0.076(5) Uani 1 1 d U . .
C1A6 C -1.6071(13) 0.3160(15) 1.9936(7) 0.062(6) Uani 1 1 d U . .
C2A6 C -1.6177(15) 0.3390(15) 1.9534(9) 0.079(9) Uani 1 1 d . . .
C3A6 C -1.601(3) 0.395(3) 1.9605(17) 0.040(13) Uiso 0.35 1 d P . .
C4A6 C -1.649(3) 0.368(3) 1.9617(16) 0.036(12) Uiso 0.35 1 d P . .
S61 S -1.685(5) 0.388(5) 1.995(3) 0.04(2) Uiso 0.05 1 d P . .
S61A S -1.642(4) 0.425(4) 1.992(3) 0.08(2) Uiso 0.10 1 d P . .
C5A6 C -1.722(9) 0.419(9) 2.002(6) 0.07(5) Uiso 0.15 1 d P . .
C6A6 C -1.668(4) 0.463(4) 2.017(3) 0.04(2) Uiso 0.20 1 d P . .
O1A7 O -1.7055(7) 0.1291(11) 2.0263(5) 0.077(6) Uani 1 1 d . . .
O2A7 O -1.6587(9) 0.0811(9) 2.0594(5) 0.075(5) Uani 1 1 d . . .
C1A7 C -1.6956(14) 0.0804(15) 2.0326(9) 0.069(7) Uani 1 1 d . . .
C2A7 C -1.7369(15) 0.0204(16) 2.0067(10) 0.093(10) Uani 1 1 d . . .
H2AS H -1.7270 -0.0133 2.0144 0.140 Uiso 1 1 calc R . .
H2AT H -1.7278 0.0306 1.9769 0.140 Uiso 1 1 calc R . .
H2AU H -1.7825 0.0051 2.0122 0.140 Uiso 1 1 calc R . .
O1A8 O -1.5714(12) 0.0775(10) 2.1592(6) 0.093(7) Uani 1 1 d . . .
O2A8 O -1.6703(11) 0.0557(10) 2.1518(7) 0.089(6) Uani 1 1 d . . .
C1A9 C -1.6276(18) 0.0510(15) 2.1695(10) 0.086(10) Uani 1 1 d . . .
C2A9 C -1.643(2) 0.0161(15) 2.2093(9) 0.130(17) Uani 1 1 d . . .
H2AP H -1.6327 -0.0188 2.2071 0.195 Uiso 1 1 calc R . .
H2AQ H -1.6885 -0.0021 2.2155 0.195 Uiso 1 1 calc R . .
H2AR H -1.6169 0.0456 2.2317 0.195 Uiso 1 1 calc R . .
O1A9 O -1.5873(9) 0.1890(10) 2.1830(5) 0.065(5) Uani 1 1 d . . .
O2A9 O -1.5426(8) 0.2665(8) 2.1381(4) 0.064(5) Uani 1 1 d . . .
C1A8 C -1.5627(14) 0.2464(15) 2.1768(7) 0.064(7) Uani 1 1 d . . .
C2A8 C -1.5564(16) 0.2918(17) 2.2085(9) 0.088(10) Uani 1 1 d . . .
H2AM H -1.5121 0.3142 2.2191 0.132 Uiso 1 1 calc R . .
H2AN H -1.5862 0.2690 2.2315 0.132 Uiso 1 1 calc R . .
H2AO H -1.5665 0.3233 2.1964 0.132 Uiso 1 1 calc R . .
O1A0 O -1.5280(9) 0.4079(9) 2.1268(4) 0.065(4) Uani 1 1 d U . .
O2A0 O -1.5553(19) 0.4747(19) 2.0830(12) 0.170(12) Uani 1 1 d U . .
C1A0 C -1.5461(17) 0.4464(17) 2.1238(9) 0.102(9) Uani 1 1 d DU . .
C2A0 C -1.5577(15) 0.4708(16) 2.1593(8) 0.081(8) Uani 1 1 d DU . .
H2AV H -1.5564 0.4468 2.1837 0.122 Uiso 1 1 calc R . .
H2AW H -1.6003 0.4670 2.1574 0.122 Uiso 1 1 calc R . .
H2AX H -1.5248 0.5163 2.1623 0.122 Uiso 1 1 calc R . .
O5 O -1.2806(9) 0.4133(8) 2.1769(5) 0.064(4) Uani 1 1 d . . .
O51 O -1.4105(10) 0.2192(9) 2.2349(5) 0.075(5) Uani 1 1 d . . .
O52 O -1.4198(10) 0.2845(11) 2.2776(6) 0.080(6) Uani 1 1 d . . .
C51 C -1.4430(14) 0.2276(18) 2.2649(8) 0.076(8) Uani 1 1 d . . .
C52 C -1.501(2) 0.1731(18) 2.2779(11) 0.121(14) Uani 1 1 d . . .
H52A H -1.4924 0.1549 2.3031 0.182 Uiso 1 1 calc R . .
H52B H -1.5166 0.1407 2.2555 0.182 Uiso 1 1 calc R . .
H52C H -1.5328 0.1856 2.2841 0.182 Uiso 1 1 calc R . .
O6 O -1.7291(7) 0.5911(7) 2.2546(4) 0.051(4) Uani 1 1 d . . .
O61 O -1.6498(8) 0.5736(8) 2.1975(5) 0.062(4) Uani 1 1 d . . .
O62 O -1.5793(10) 0.7011(10) 2.1535(5) 0.073(5) Uani 1 1 d . . .
C61 C -1.6929(14) 0.5482(16) 2.1680(7) 0.071(8) Uani 1 1 d . . .
C62 C -1.7142(17) 0.4818(16) 2.1521(9) 0.093(10) Uani 1 1 d . . .
C63 C -1.764(3) 0.466(3) 2.124(2) 0.063(17) Uiso 0.40 1 d P . .
C63A C -1.740(5) 0.459(4) 2.113(3) 0.06(2) Uiso 0.30 1 d P . .
S6 S -1.810(5) 0.368(4) 2.114(3) 0.08(2) Uiso 0.10 1 d P . .
S6A S -1.778(2) 0.3776(18) 2.1072(12) 0.056(8) Uiso 0.20 1 d P . .
S6B S -1.756(3) 0.402(3) 2.091(2) 0.051(14) Uiso 0.10 1 d P . .
C64 C -1.878(4) 0.357(4) 2.110(3) 0.07(2) Uiso 0.30 1 d P . .
O1W O -1.3333 0.3333 2.0779(8) 0.057(7) Uani 1 3 d S . .
O2W O -1.1535(7) 0.4412(9) 1.9640(5) 0.064(4) Uani 1 1 d . . .
O3W O -1.3333 0.3333 1.9648(12) 0.079(9) Uani 1 3 d S . .
O4W O -0.6849(16) 1.1253(18) 1.2470(8) 0.061(9) Uani 0.50 1 d P . .
O5W O -1.911(4) 0.491(4) 2.116(2) 0.053(18) Uiso 0.20 1 d P . .
O6W O -1.3333 0.3333 1.8487(8) 0.086(10) Uani 1 3 d S . .
O7W O -1.6022(12) 0.4976(11) 2.2316(6) 0.063(6) Uani 0.75 1 d P . .
O8W O -1.4434(12) 0.4613(12) 2.1984(7) 0.072(6) Uani 0.75 1 d P . .
O9W O -1.955(4) 0.384(3) 2.081(2) 0.059(18) Uiso 0.22 1 d P . .
O10W O -1.891(3) 0.490(3) 2.064(2) 0.067(18) Uiso 0.25 1 d P . .
O11W O -1.857(3) 0.076(3) 1.8788(18) 0.049(14) Uiso 0.25 1 d P . .
O12W O -1.3333 0.3333 2.368(4) 0.07(3) Uiso 0.25 3 d SP . .
N1S N -1.313(2) -0.088(2) 1.7964(14) 0.074(13) Uani 0.50 1 d P . .
C1S C -1.321(2) -0.057(2) 1.8209(14) 0.048(11) Uani 0.50 1 d P . .
C2S C -1.3281(17) -0.0077(17) 1.8467(11) 0.032(8) Uani 0.50 1 d PU . .
H2SA H -1.3004 0.0038 1.8715 0.048 Uiso 1 1 calc R . .
H2SB H -1.3730 -0.0260 1.8554 0.048 Uiso 1 1 calc R . .
H2SC H -1.3154 0.0310 1.8298 0.048 Uiso 1 1 calc R . .


_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
Dy1 O2N1 2.292(19) . ?
Dy1 O1A3 2.402(16) . ?
Dy1 O2A4 2.409(19) . ?
Dy1 O3X1 2.422(18) . ?
Dy1 O1A1 2.429(18) . ?
Dy1 O2X1 2.443(16) . ?
Dy1 O1A4 2.472(17) . ?
Dy1 O3G1 2.473(15) . ?
Dy1 O2A3 2.64(2) . ?
Dy1 C1A4 2.75(3) . ?
Dy1 C1A3 2.96(2) . ?
Dy1 Cr1 3.360(4) . ?
Dy2 O1N1 2.235(18) . ?
Dy2 O1A5 2.300(15) . ?
Dy2 O2A3 2.305(18) . ?
Dy2 O1G1 2.337(14) . ?
Dy2 O2A2 2.379(15) . ?
Dy2 O4X1 2.414(17) . ?
Dy2 O1X1 2.445(16) . ?
Dy2 O3G1 2.465(16) . ?
Dy2 Cr1 3.339(4) . ?
Dy3 O1N2 2.248(16) . ?
Dy3 O1A0 2.281(16) . ?
Dy3 O2A9 2.331(16) . ?
Dy3 O2X2 2.367(17) . ?
Dy3 O1A6 2.378(14) . ?
Dy3 O3X2 2.402(17) . ?
Dy3 O1G2 2.400(15) . ?
Dy3 O3G2 2.469(16) . ?
Dy3 Cr2 3.353(5) . ?
Dy4 O2N2 2.282(19) . ?
Dy4 O2A7 2.341(18) . ?
Dy4 O2A8 2.41(2) . ?
Dy4 O1X2 2.416(15) . ?
Dy4 O1A9 2.442(15) . ?
Dy4 O3G2 2.447(17) . ?
Dy4 O4X2 2.446(16) . ?
Dy4 O1A8 2.45(2) . ?
Dy4 O2A9 2.620(18) . ?
Dy4 C1A9 2.71(3) . ?
Dy4 C1A8 2.95(3) . ?
Dy4 Cr2 3.355(5) . ?
Dy5 O52 2.372(18) 2_475 ?
Dy5 O52 2.372(18) . ?
Dy5 O52 2.373(18) 3_245 ?
Dy5 O5 2.376(15) 3_245 ?
Dy5 O5 2.376(16) 2_475 ?
Dy5 O5 2.376(16) . ?
Dy5 O51 2.426(19) 2_475 ?
Dy5 O51 2.43(2) . ?
Dy5 O51 2.426(19) 3_245 ?
Dy5 C51 2.82(3) 2_475 ?
Dy5 C51 2.82(3) . ?
Dy5 C51 2.82(3) 3_245 ?
Dy6 O6 2.377(15) 2_485 ?
Dy6 O6 2.377(15) . ?
Dy6 O6 2.377(15) 3_145 ?
Dy6 O62 2.392(17) . ?
Dy6 O62 2.392(17) 2_485 ?
Dy6 O62 2.392(17) 3_145 ?
Dy6 O61 2.464(18) . ?
Dy6 O61 2.464(18) 3_145 ?
Dy6 O61 2.464(18) 2_485 ?
Dy6 C61 2.80(3) . ?
Dy6 C61 2.80(3) 3_145 ?
Dy6 C61 2.80(3) 2_485 ?
Cr1 O2N1 1.96(2) . ?
Cr1 O1N1 1.976(18) . ?
Cr1 O3G1 1.985(17) . ?
Cr1 O2A1 1.998(19) . ?
Cr1 O1A2 2.025(17) . ?
Cr1 N1 2.10(2) . ?
Cr2 O2N2 1.924(18) . ?
Cr2 O1N2 1.930(18) . ?
Cr2 O1A7 1.97(2) . ?
Cr2 O2A6 2.01(2) . ?
Cr2 O3G2 1.995(16) . ?
Cr2 N2 2.118(16) . ?
N1 C3N1 1.36(4) . ?
N1 C1N1 1.38(4) . ?
N1 C5N1 1.51(4) . ?
O1N1 C2N1 1.39(3) . ?
O2N1 C4N1 1.36(3) . ?
C1N1 C2N1 1.52(4) . ?
C3N1 C4N1 1.60(4) . ?
C5N1 C6N1 1.58(4) . ?
C6N1 C7N1 1.70(6) . ?
C7N1 C8N1 1.56(6) . ?
O1X1 C1X1 1.24(3) . ?
O2X1 C1X1 1.23(3) 3_245 ?
O3X1 C2X1 1.26(3) . ?
O4X1 C2X1 1.26(3) 2_475 ?
C1X1 O2X1 1.23(3) 2_475 ?
C1X1 C2X1 1.53(3) 2_475 ?
C2X1 O4X1 1.26(3) 3_245 ?
C2X1 C1X1 1.53(3) 3_245 ?
O1G1 C1G1 1.30(3) . ?
O2G1 C1G1 1.23(3) . ?
O3G1 C2G1 1.48(2) . ?
C1G1 C2G1 1.54(3) . ?
O1A1 C1A1 1.24(3) . ?
O2A1 C1A1 1.19(3) . ?
C1A1 C2A1 1.48(4) . ?
O1A2 C1A2 1.27(3) . ?
O2A2 C1A2 1.25(3) . ?
C1A2 C2A2 1.47(3) . ?
O1A3 C1A3 1.30(3) . ?
O2A3 C1A3 1.30(3) . ?
C1A3 C2A3 1.47(3) . ?
O1A4 C1A4 1.33(4) . ?
O2A4 C1A4 1.15(4) . ?
C1A4 C2A4 1.61(4) . ?
O1A5 C1A5 1.17(3) . ?
O2A5 C1A5 1.25(3) . ?
C1A5 C2A5 1.63(4) . ?
C2A5 C3A5 1.61(11) . ?
C3A5 S5A 1.36(11) . ?
C3A5 S5 1.85(13) . ?
S5 S5A 2.22(8) . ?
N2 C5N2 1.48(3) . ?
N2 C3N2 1.50(4) . ?
N2 C1N2 1.540(2) . ?
O1N2 C2N2 1.44(4) . ?
O2N2 C4N2 1.32(4) . ?
C1N2 C2N2 1.369(5) . ?
C3N2 C4N2 1.370(5) . ?
C5N2 C6N2 1.49(4) . ?
C6N2 C7N2 1.38(5) . ?
C7N2 C8N2 1.45(6) . ?
O1X2 C1X2 1.23(3) . ?
O2X2 C1X2 1.25(3) 3_245 ?
O3X2 C2X2 1.26(3) 3_245 ?
O4X2 C2X2 1.25(3) . ?
C1X2 O2X2 1.25(3) 2_475 ?
C1X2 C2X2 1.66(3) . ?
C2X2 O3X2 1.26(3) 2_475 ?
O1G2 C1G2 1.30(3) . ?
O2G2 C1G2 1.21(3) . ?
O3G2 C2G2 1.43(2) . ?
C1G2 C2G2 1.49(3) . ?
O1A6 C1A6 1.22(3) . ?
O2A6 C1A6 1.35(3) . ?
C1A6 C2A6 1.47(4) . ?
C2A6 C3A6 1.22(6) . ?
C2A6 C4A6 1.28(6) . ?
C3A6 C4A6 1.00(7) . ?
C3A6 S61A 1.77(10) . ?
C3A6 S61 2.23(12) . ?
C4A6 S61 1.59(12) . ?
C4A6 S61A 1.59(10) . ?
S61 S61A 0.98(11) . ?
S61 C5A6 1.4(2) . ?
S61 C6A6 1.77(14) . ?
S61A C6A6 1.57(12) . ?
S61A C5A6 1.9(2) . ?
C5A6 C6A6 1.3(2) . ?
O1A7 C1A7 1.32(3) . ?
O2A7 C1A7 1.22(3) . ?
C1A7 C2A7 1.52(4) . ?
O1A8 C1A9 1.21(4) . ?
O2A8 C1A9 1.22(4) . ?
C1A9 C2A9 1.46(4) . ?
O1A9 C1A8 1.21(3) . ?
O2A9 C1A8 1.33(3) . ?
C1A8 C2A8 1.44(4) . ?
O1A0 C1A0 1.21(4) . ?
O2A0 C1A0 1.54(5) . ?
C1A0 C2A0 1.368(5) . ?
O51 C51 1.31(3) . ?
O52 C51 1.26(4) . ?
C51 C52 1.41(5) . ?
O61 C61 1.30(3) . ?
O62 C61 1.29(3) 2_485 ?
C61 O62 1.29(3) 3_145 ?
C61 C62 1.50(4) . ?
C62 C63A 1.38(9) . ?
C62 C63 1.39(7) . ?
C63 C63A 0.77(9) . ?
C63 S6B 1.94(9) . ?
C63 S6A 2.04(8) . ?
C63 S6 2.06(11) . ?
C63A S6B 1.41(11) . ?
C63A S6A 1.70(9) . ?
C63A S6 1.99(13) . ?
S6 S6A 0.72(8) . ?
S6 S6B 1.35(12) . ?
S6 C64 1.53(13) . ?
S6A S6B 0.76(6) . ?
S6A C64 2.20(10) . ?
O5W O10W 1.73(10) . ?
N1S C1S 1.17(5) . ?
C1S C2S 1.52(5) . ?

loop_
_geom_angle_atom_site_label_1
_geom_angle_atom_site_label_2
_geom_angle_atom_site_label_3
_geom_angle
_geom_angle_site_symmetry_1
_geom_angle_site_symmetry_3
_geom_angle_publ_flag
O2N1 Dy1 O1A3 81.9(6) . . ?
O2N1 Dy1 O2A4 79.5(8) . . ?
O1A3 Dy1 O2A4 77.0(6) . . ?
O2N1 Dy1 O3X1 139.2(6) . . ?
O1A3 Dy1 O3X1 138.5(6) . . ?
O2A4 Dy1 O3X1 109.9(7) . . ?
O2N1 Dy1 O1A1 73.8(6) . . ?
O1A3 Dy1 O1A1 147.5(5) . . ?
O2A4 Dy1 O1A1 77.6(6) . . ?
O3X1 Dy1 O1A1 70.1(6) . . ?
O2N1 Dy1 O2X1 143.2(6) . . ?
O1A3 Dy1 O2X1 78.2(5) . . ?
O2A4 Dy1 O2X1 124.7(7) . . ?
O3X1 Dy1 O2X1 64.1(6) . . ?
O1A1 Dy1 O2X1 133.6(5) . . ?
O2N1 Dy1 O1A4 131.3(7) . . ?
O1A3 Dy1 O1A4 76.1(6) . . ?
O2A4 Dy1 O1A4 53.5(7) . . ?
O3X1 Dy1 O1A4 76.6(5) . . ?
O1A1 Dy1 O1A4 104.1(6) . . ?
O2X1 Dy1 O1A4 72.9(6) . . ?
O2N1 Dy1 O3G1 69.2(6) . . ?
O1A3 Dy1 O3G1 113.4(5) . . ?
O2A4 Dy1 O3G1 144.5(7) . . ?
O3X1 Dy1 O3G1 85.1(5) . . ?
O1A1 Dy1 O3G1 77.9(6) . . ?
O2X1 Dy1 O3G1 90.8(5) . . ?
O1A4 Dy1 O3G1 159.4(6) . . ?
O2N1 Dy1 O2A3 76.5(7) . . ?
O1A3 Dy1 O2A3 51.3(5) . . ?
O2A4 Dy1 O2A3 125.1(6) . . ?
O3X1 Dy1 O2A3 120.5(6) . . ?
O1A1 Dy1 O2A3 137.9(6) . . ?
O2X1 Dy1 O2A3 66.9(6) . . ?
O1A4 Dy1 O2A3 118.0(6) . . ?
O3G1 Dy1 O2A3 63.8(5) . . ?
O2N1 Dy1 C1A4 103.0(11) . . ?
O1A3 Dy1 C1A4 72.8(9) . . ?
O2A4 Dy1 C1A4 24.7(9) . . ?
O3X1 Dy1 C1A4 96.5(10) . . ?
O1A1 Dy1 C1A4 91.7(9) . . ?
O2X1 Dy1 C1A4 100.3(10) . . ?
O1A4 Dy1 C1A4 28.9(10) . . ?
O3G1 Dy1 C1A4 168.4(10) . . ?
O2A3 Dy1 C1A4 123.9(8) . . ?
O2N1 Dy1 C1A3 77.2(7) . . ?
O1A3 Dy1 C1A3 25.4(6) . . ?
O2A4 Dy1 C1A3 100.6(6) . . ?
O3X1 Dy1 C1A3 135.1(6) . . ?
O1A1 Dy1 C1A3 150.8(7) . . ?
O2X1 Dy1 C1A3 71.6(6) . . ?
O1A4 Dy1 C1A3 97.5(7) . . ?
O3G1 Dy1 C1A3 88.7(6) . . ?
O2A3 Dy1 C1A3 26.0(6) . . ?
C1A4 Dy1 C1A3 98.1(9) . . ?
O2N1 Dy1 Cr1 34.5(5) . . ?
O1A3 Dy1 Cr1 104.6(4) . . ?
O2A4 Dy1 Cr1 109.7(6) . . ?
O3X1 Dy1 Cr1 110.5(4) . . ?
O1A1 Dy1 Cr1 65.9(5) . . ?
O2X1 Dy1 Cr1 124.2(4) . . ?
O1A4 Dy1 Cr1 162.9(5) . . ?
O3G1 Dy1 Cr1 35.9(4) . . ?
O2A3 Dy1 Cr1 72.7(4) . . ?
C1A4 Dy1 Cr1 134.4(10) . . ?
C1A3 Dy1 Cr1 88.1(5) . . ?
O1N1 Dy2 O1A5 78.5(6) . . ?
O1N1 Dy2 O2A3 82.7(6) . . ?
O1A5 Dy2 O2A3 91.0(6) . . ?
O1N1 Dy2 O1G1 134.5(5) . . ?
O1A5 Dy2 O1G1 147.0(6) . . ?
O2A3 Dy2 O1G1 94.0(6) . . ?
O1N1 Dy2 O2A2 73.4(5) . . ?
O1A5 Dy2 O2A2 112.0(5) . . ?
O2A3 Dy2 O2A2 141.9(6) . . ?
O1G1 Dy2 O2A2 82.9(5) . . ?
O1N1 Dy2 O4X1 124.7(6) . . ?
O1A5 Dy2 O4X1 75.3(6) . . ?
O2A3 Dy2 O4X1 144.5(6) . . ?
O1G1 Dy2 O4X1 81.9(5) . . ?
O2A2 Dy2 O4X1 72.9(5) . . ?
O1N1 Dy2 O1X1 148.1(5) . . ?
O1A5 Dy2 O1X1 76.6(6) . . ?
O2A3 Dy2 O1X1 78.3(6) . . ?
O1G1 Dy2 O1X1 72.6(5) . . ?
O2A2 Dy2 O1X1 135.0(5) . . ?
O4X1 Dy2 O1X1 66.8(5) . . ?
O1N1 Dy2 O3G1 70.7(6) . . ?
O1A5 Dy2 O3G1 144.9(6) . . ?
O2A3 Dy2 O3G1 69.0(6) . . ?
O1G1 Dy2 O3G1 66.0(5) . . ?
O2A2 Dy2 O3G1 75.2(5) . . ?
O4X1 Dy2 O3G1 136.9(5) . . ?
O1X1 Dy2 O3G1 123.9(6) . . ?
O1N1 Dy2 Cr1 34.9(4) . . ?
O1A5 Dy2 Cr1 112.9(5) . . ?
O2A3 Dy2 Cr1 76.9(5) . . ?
O1G1 Dy2 Cr1 100.0(3) . . ?
O2A2 Dy2 Cr1 66.4(4) . . ?
O4X1 Dy2 Cr1 138.6(3) . . ?
O1X1 Dy2 Cr1 153.5(4) . . ?
O3G1 Dy2 Cr1 36.2(4) . . ?
O1N2 Dy3 O1A0 80.2(6) . . ?
O1N2 Dy3 O2A9 80.4(6) . . ?
O1A0 Dy3 O2A9 89.6(6) . . ?
O1N2 Dy3 O2X2 129.5(6) . . ?
O1A0 Dy3 O2X2 77.7(6) . . ?
O2A9 Dy3 O2X2 143.4(6) . . ?
O1N2 Dy3 O1A6 74.9(5) . . ?
O1A0 Dy3 O1A6 112.8(6) . . ?
O2A9 Dy3 O1A6 142.7(6) . . ?
O2X2 Dy3 O1A6 72.9(6) . . ?
O1N2 Dy3 O3X2 145.9(5) . . ?
O1A0 Dy3 O3X2 76.0(6) . . ?
O2A9 Dy3 O3X2 75.4(6) . . ?
O2X2 Dy3 O3X2 68.2(5) . . ?
O1A6 Dy3 O3X2 137.2(6) . . ?
O1N2 Dy3 O1G2 133.0(6) . . ?
O1A0 Dy3 O1G2 146.7(6) . . ?
O2A9 Dy3 O1G2 93.5(5) . . ?
O2X2 Dy3 O1G2 80.1(5) . . ?
O1A6 Dy3 O1G2 83.6(5) . . ?
O3X2 Dy3 O1G2 72.8(5) . . ?
O1N2 Dy3 O3G2 69.1(6) . . ?
O1A0 Dy3 O3G2 145.0(6) . . ?
O2A9 Dy3 O3G2 69.5(6) . . ?
O2X2 Dy3 O3G2 135.2(5) . . ?
O1A6 Dy3 O3G2 75.8(6) . . ?
O3X2 Dy3 O3G2 122.0(6) . . ?
O1G2 Dy3 O3G2 65.2(5) . . ?
O1N2 Dy3 Cr2 33.5(4) . . ?
O1A0 Dy3 Cr2 113.4(5) . . ?
O2A9 Dy3 Cr2 76.7(4) . . ?
O2X2 Dy3 Cr2 139.9(3) . . ?
O1A6 Dy3 Cr2 67.2(5) . . ?
O3X2 Dy3 Cr2 150.5(4) . . ?
O1G2 Dy3 Cr2 99.6(4) . . ?
O3G2 Dy3 Cr2 36.2(4) . . ?
O2N2 Dy4 O2A7 74.4(7) . . ?
O2N2 Dy4 O2A8 79.8(8) . . ?
O2A7 Dy4 O2A8 78.2(7) . . ?
O2N2 Dy4 O1X2 139.5(6) . . ?
O2A7 Dy4 O1X2 70.2(6) . . ?
O2A8 Dy4 O1X2 110.9(7) . . ?
O2N2 Dy4 O1A9 78.3(6) . . ?
O2A7 Dy4 O1A9 144.8(6) . . ?
O2A8 Dy4 O1A9 75.4(7) . . ?
O1X2 Dy4 O1A9 141.7(6) . . ?
O2N2 Dy4 O3G2 68.3(5) . . ?
O2A7 Dy4 O3G2 76.9(6) . . ?
O2A8 Dy4 O3G2 143.7(7) . . ?
O1X2 Dy4 O3G2 84.8(5) . . ?
O1A9 Dy4 O3G2 112.9(6) . . ?
O2N2 Dy4 O4X2 142.2(6) . . ?
O2A7 Dy4 O4X2 135.8(6) . . ?
O2A8 Dy4 O4X2 122.3(7) . . ?
O1X2 Dy4 O4X2 65.9(6) . . ?
O1A9 Dy4 O4X2 78.8(6) . . ?
O3G2 Dy4 O4X2 93.9(5) . . ?
O2N2 Dy4 O1A8 130.1(6) . . ?
O2A7 Dy4 O1A8 106.5(8) . . ?
O2A8 Dy4 O1A8 53.0(8) . . ?
O1X2 Dy4 O1A8 79.6(6) . . ?
O1A9 Dy4 O1A8 75.1(7) . . ?
O3G2 Dy4 O1A8 161.6(6) . . ?
O4X2 Dy4 O1A8 70.9(7) . . ?
O2N2 Dy4 O2A9 75.1(6) . . ?
O2A7 Dy4 O2A9 138.0(7) . . ?
O2A8 Dy4 O2A9 123.4(6) . . ?
O1X2 Dy4 O2A9 121.1(5) . . ?
O1A9 Dy4 O2A9 50.4(6) . . ?
O3G2 Dy4 O2A9 65.3(5) . . ?
O4X2 Dy4 O2A9 67.1(6) . . ?
O1A8 Dy4 O2A9 115.2(7) . . ?
O2N2 Dy4 C1A9 104.3(10) . . ?
O2A7 Dy4 C1A9 95.2(8) . . ?
O2A8 Dy4 C1A9 26.8(8) . . ?
O1X2 Dy4 C1A9 98.1(10) . . ?
O1A9 Dy4 C1A9 70.4(9) . . ?
O3G2 Dy4 C1A9 170.2(8) . . ?
O4X2 Dy4 C1A9 95.8(8) . . ?
O1A8 Dy4 C1A9 26.5(9) . . ?
O2A9 Dy4 C1A9 120.0(8) . . ?
O2N2 Dy4 C1A8 74.2(7) . . ?
O2A7 Dy4 C1A8 148.6(8) . . ?
O2A8 Dy4 C1A8 97.7(8) . . ?
O1X2 Dy4 C1A8 137.8(7) . . ?
O1A9 Dy4 C1A8 23.7(6) . . ?
O3G2 Dy4 C1A8 90.2(7) . . ?
O4X2 Dy4 C1A8 72.7(7) . . ?
O1A8 Dy4 C1A8 94.9(7) . . ?
O2A9 Dy4 C1A8 26.7(6) . . ?
C1A9 Dy4 C1A8 93.9(9) . . ?
O2N2 Dy4 Cr2 33.5(4) . . ?
O2A7 Dy4 Cr2 65.3(6) . . ?
O2A8 Dy4 Cr2 108.6(6) . . ?
O1X2 Dy4 Cr2 110.7(4) . . ?
O1A9 Dy4 Cr2 101.9(5) . . ?
O3G2 Dy4 Cr2 36.1(4) . . ?
O4X2 Dy4 Cr2 126.9(4) . . ?
O1A8 Dy4 Cr2 161.6(5) . . ?
O2A9 Dy4 Cr2 73.3(4) . . ?
C1A9 Dy4 Cr2 135.1(8) . . ?
C1A8 Dy4 Cr2 87.3(6) . . ?
O52 Dy5 O52 82.2(8) 2_475 . ?
O52 Dy5 O52 82.2(8) 2_475 3_245 ?
O52 Dy5 O52 82.2(8) . 3_245 ?
O52 Dy5 O5 86.4(6) 2_475 3_245 ?
O52 Dy5 O5 126.9(7) . 3_245 ?
O52 Dy5 O5 146.9(7) 3_245 3_245 ?
O52 Dy5 O5 146.9(7) 2_475 2_475 ?
O52 Dy5 O5 86.4(6) . 2_475 ?
O52 Dy5 O5 126.9(7) 3_245 2_475 ?
O5 Dy5 O5 75.9(6) 3_245 2_475 ?
O52 Dy5 O5 126.9(7) 2_475 . ?
O52 Dy5 O5 146.9(7) . . ?
O52 Dy5 O5 86.4(6) 3_245 . ?
O5 Dy5 O5 75.9(6) 3_245 . ?
O5 Dy5 O5 75.9(6) 2_475 . ?
O52 Dy5 O51 53.8(7) 2_475 2_475 ?
O52 Dy5 O51 132.8(6) . 2_475 ?
O52 Dy5 O51 76.5(7) 3_245 2_475 ?
O5 Dy5 O51 71.8(6) 3_245 2_475 ?
O5 Dy5 O51 139.5(6) 2_475 2_475 ?
O5 Dy5 O51 73.1(6) . 2_475 ?
O52 Dy5 O51 76.5(8) 2_475 . ?
O52 Dy5 O51 53.8(7) . . ?
O52 Dy5 O51 132.8(6) 3_245 . ?
O5 Dy5 O51 73.1(6) 3_245 . ?
O5 Dy5 O51 71.8(6) 2_475 . ?
O5 Dy5 O51 139.5(6) . . ?
O51 Dy5 O51 119.45(9) 2_475 . ?
O52 Dy5 O51 132.8(6) 2_475 3_245 ?
O52 Dy5 O51 76.5(7) . 3_245 ?
O52 Dy5 O51 53.8(7) 3_245 3_245 ?
O5 Dy5 O51 139.5(5) 3_245 3_245 ?
O5 Dy5 O51 73.1(6) 2_475 3_245 ?
O5 Dy5 O51 71.7(6) . 3_245 ?
O51 Dy5 O51 119.45(10) 2_475 3_245 ?
O51 Dy5 O51 119.45(11) . 3_245 ?
O52 Dy5 C51 26.2(7) 2_475 2_475 ?
O52 Dy5 C51 107.4(8) . 2_475 ?
O52 Dy5 C51 79.1(8) 3_245 2_475 ?
O5 Dy5 C51 77.0(7) 3_245 2_475 ?
O5 Dy5 C51 152.8(7) 2_475 2_475 ?
O5 Dy5 C51 100.7(9) . 2_475 ?
O51 Dy5 C51 27.6(8) 2_475 2_475 ?
O51 Dy5 C51 97.1(8) . 2_475 ?
O51 Dy5 C51 132.2(7) 3_245 2_475 ?
O52 Dy5 C51 79.1(8) 2_475 . ?
O52 Dy5 C51 26.2(7) . . ?
O52 Dy5 C51 107.4(9) 3_245 . ?
O5 Dy5 C51 100.7(8) 3_245 . ?
O5 Dy5 C51 77.0(7) 2_475 . ?
O5 Dy5 C51 152.8(7) . . ?
O51 Dy5 C51 132.2(7) 2_475 . ?
O51 Dy5 C51 27.6(8) . . ?
O51 Dy5 C51 97.1(8) 3_245 . ?
C51 Dy5 C51 104.9(7) 2_475 . ?
O52 Dy5 C51 107.4(9) 2_475 3_245 ?
O52 Dy5 C51 79.1(8) . 3_245 ?
O52 Dy5 C51 26.2(7) 3_245 3_245 ?
O5 Dy5 C51 152.8(8) 3_245 3_245 ?
O5 Dy5 C51 100.7(8) 2_475 3_245 ?
O5 Dy5 C51 77.0(7) . 3_245 ?
O51 Dy5 C51 97.1(8) 2_475 3_245 ?
O51 Dy5 C51 132.2(7) . 3_245 ?
O51 Dy5 C51 27.6(8) 3_245 3_245 ?
C51 Dy5 C51 104.9(7) 2_475 3_245 ?
C51 Dy5 C51 104.9(7) . 3_245 ?
O6 Dy6 O6 75.3(5) 2_485 . ?
O6 Dy6 O6 75.3(5) 2_485 3_145 ?
O6 Dy6 O6 75.3(5) . 3_145 ?
O6 Dy6 O62 86.2(6) 2_485 . ?
O6 Dy6 O62 146.1(6) . . ?
O6 Dy6 O62 127.5(6) 3_145 . ?
O6 Dy6 O62 146.1(6) 2_485 2_485 ?
O6 Dy6 O62 127.5(6) . 2_485 ?
O6 Dy6 O62 86.2(6) 3_145 2_485 ?
O62 Dy6 O62 82.9(7) . 2_485 ?
O6 Dy6 O62 127.5(6) 2_485 3_145 ?
O6 Dy6 O62 86.2(6) . 3_145 ?
O6 Dy6 O62 146.1(6) 3_145 3_145 ?
O62 Dy6 O62 82.9(7) . 3_145 ?
O62 Dy6 O62 82.9(7) 2_485 3_145 ?
O6 Dy6 O61 72.5(5) 2_485 . ?
O6 Dy6 O61 71.1(5) . . ?
O6 Dy6 O61 138.1(5) 3_145 . ?
O62 Dy6 O61 76.4(6) . . ?
O62 Dy6 O61 134.5(6) 2_485 . ?
O62 Dy6 O61 55.0(6) 3_145 . ?
O6 Dy6 O61 138.1(5) 2_485 3_145 ?
O6 Dy6 O61 72.5(5) . 3_145 ?
O6 Dy6 O61 71.1(5) 3_145 3_145 ?
O62 Dy6 O61 134.5(6) . 3_145 ?
O62 Dy6 O61 55.0(6) 2_485 3_145 ?
O62 Dy6 O61 76.4(6) 3_145 3_145 ?
O61 Dy6 O61 119.69(8) . 3_145 ?
O6 Dy6 O61 71.1(5) 2_485 2_485 ?
O6 Dy6 O61 138.1(5) . 2_485 ?
O6 Dy6 O61 72.5(5) 3_145 2_485 ?
O62 Dy6 O61 55.0(6) . 2_485 ?
O62 Dy6 O61 76.4(6) 2_485 2_485 ?
O62 Dy6 O61 134.5(6) 3_145 2_485 ?
O61 Dy6 O61 119.69(8) . 2_485 ?
O61 Dy6 O61 119.69(7) 3_145 2_485 ?
O6 Dy6 C61 100.2(7) 2_485 . ?
O6 Dy6 C61 76.4(7) . . ?
O6 Dy6 C61 151.5(7) 3_145 . ?
O62 Dy6 C61 79.3(8) . . ?
O62 Dy6 C61 109.1(7) 2_485 . ?
O62 Dy6 C61 27.3(7) 3_145 . ?
O61 Dy6 C61 27.7(7) . . ?
O61 Dy6 C61 97.6(7) 3_145 . ?
O61 Dy6 C61 133.5(7) 2_485 . ?
O6 Dy6 C61 151.5(7) 2_485 3_145 ?
O6 Dy6 C61 100.2(7) . 3_145 ?
O6 Dy6 C61 76.4(6) 3_145 3_145 ?
O62 Dy6 C61 109.1(7) . 3_145 ?
O62 Dy6 C61 27.3(7) 2_485 3_145 ?
O62 Dy6 C61 79.3(8) 3_145 3_145 ?
O61 Dy6 C61 133.5(7) . 3_145 ?
O61 Dy6 C61 27.7(7) 3_145 3_145 ?
O61 Dy6 C61 97.6(7) 2_485 3_145 ?
C61 Dy6 C61 106.1(6) . 3_145 ?
O6 Dy6 C61 76.4(7) 2_485 2_485 ?
O6 Dy6 C61 151.5(7) . 2_485 ?
O6 Dy6 C61 100.2(7) 3_145 2_485 ?
O62 Dy6 C61 27.3(7) . 2_485 ?
O62 Dy6 C61 79.3(8) 2_485 2_485 ?
O62 Dy6 C61 109.1(7) 3_145 2_485 ?
O61 Dy6 C61 97.6(7) . 2_485 ?
O61 Dy6 C61 133.5(7) 3_145 2_485 ?
O61 Dy6 C61 27.7(7) 2_485 2_485 ?
C61 Dy6 C61 106.1(6) . 2_485 ?
C61 Dy6 C61 106.1(6) 3_145 2_485 ?
O2N1 Cr1 O1N1 94.3(8) . . ?
O2N1 Cr1 O3G1 86.7(7) . . ?
O1N1 Cr1 O3G1 86.9(7) . . ?
O2N1 Cr1 O2A1 89.7(8) . . ?
O1N1 Cr1 O2A1 175.1(8) . . ?
O3G1 Cr1 O2A1 96.0(7) . . ?
O2N1 Cr1 O1A2 178.7(8) . . ?
O1N1 Cr1 O1A2 86.9(7) . . ?
O3G1 Cr1 O1A2 93.0(7) . . ?
O2A1 Cr1 O1A2 89.1(8) . . ?
O2N1 Cr1 N1 81.7(9) . . ?
O1N1 Cr1 N1 85.1(9) . . ?
O3G1 Cr1 N1 165.4(8) . . ?
O2A1 Cr1 N1 92.8(9) . . ?
O1A2 Cr1 N1 98.8(9) . . ?
O2N1 Cr1 Dy2 96.5(5) . . ?
O1N1 Cr1 Dy2 40.4(5) . . ?
O3G1 Cr1 Dy2 47.2(5) . . ?
O2A1 Cr1 Dy2 141.8(5) . . ?
O1A2 Cr1 Dy2 84.2(5) . . ?
N1 Cr1 Dy2 125.4(7) . . ?
O2N1 Cr1 Dy1 41.4(5) . . ?
O1N1 Cr1 Dy1 100.5(5) . . ?
O3G1 Cr1 Dy1 46.9(4) . . ?
O2A1 Cr1 Dy1 84.4(6) . . ?
O1A2 Cr1 Dy1 138.0(5) . . ?
N1 Cr1 Dy1 122.9(8) . . ?
Dy2 Cr1 Dy1 76.19(9) . . ?
O2N2 Cr2 O1N2 91.4(8) . . ?
O2N2 Cr2 O1A7 92.7(9) . . ?
O1N2 Cr2 O1A7 175.6(8) . . ?
O2N2 Cr2 O2A6 178.8(8) . . ?
O1N2 Cr2 O2A6 88.0(7) . . ?
O1A7 Cr2 O2A6 87.9(8) . . ?
O2N2 Cr2 O3G2 85.4(7) . . ?
O1N2 Cr2 O3G2 86.2(7) . . ?
O1A7 Cr2 O3G2 95.7(7) . . ?
O2A6 Cr2 O3G2 93.5(7) . . ?
O2N2 Cr2 N2 82.9(8) . . ?
O1N2 Cr2 N2 87.1(7) . . ?
O1A7 Cr2 N2 91.9(8) . . ?
O2A6 Cr2 N2 98.1(9) . . ?
O3G2 Cr2 N2 166.3(8) . . ?
O2N2 Cr2 Dy3 94.6(5) . . ?
O1N2 Cr2 Dy3 40.0(5) . . ?
O1A7 Cr2 Dy3 141.0(5) . . ?
O2A6 Cr2 Dy3 84.3(6) . . ?
O3G2 Cr2 Dy3 47.0(5) . . ?
N2 Cr2 Dy3 127.0(6) . . ?
O2N2 Cr2 Dy4 40.9(5) . . ?
O1N2 Cr2 Dy4 98.4(5) . . ?
O1A7 Cr2 Dy4 85.7(7) . . ?
O2A6 Cr2 Dy4 138.2(6) . . ?
O3G2 Cr2 Dy4 46.3(5) . . ?
N2 Cr2 Dy4 123.4(6) . . ?
Dy3 Cr2 Dy4 75.36(9) . . ?
C3N1 N1 C1N1 116(3) . . ?
C3N1 N1 C5N1 108(3) . . ?
C1N1 N1 C5N1 111(3) . . ?
C3N1 N1 Cr1 105(2) . . ?
C1N1 N1 Cr1 106.2(19) . . ?
C5N1 N1 Cr1 110.5(17) . . ?
C2N1 O1N1 Cr1 103.9(17) . . ?
C2N1 O1N1 Dy2 138.2(16) . . ?
Cr1 O1N1 Dy2 104.7(7) . . ?
C4N1 O2N1 Cr1 116.4(19) . . ?
C4N1 O2N1 Dy1 138(2) . . ?
Cr1 O2N1 Dy1 104.1(7) . . ?
N1 C1N1 C2N1 111(3) . . ?
O1N1 C2N1 C1N1 111(2) . . ?
N1 C3N1 C4N1 110(3) . . ?
O2N1 C4N1 C3N1 108(2) . . ?
N1 C5N1 C6N1 113(3) . . ?
C5N1 C6N1 C7N1 104(3) . . ?
C8N1 C7N1 C6N1 108(4) . . ?
C1X1 O1X1 Dy2 118.9(14) . . ?
C1X1 O2X1 Dy1 122.5(14) 3_245 . ?
C2X1 O3X1 Dy1 121.4(15) . . ?
C2X1 O4X1 Dy2 118.6(14) 2_475 . ?
O2X1 C1X1 O1X1 128.9(19) 2_475 . ?
O2X1 C1X1 C2X1 114(2) 2_475 2_475 ?
O1X1 C1X1 C2X1 117(2) . 2_475 ?
O4X1 C2X1 O3X1 126(2) 3_245 . ?
O4X1 C2X1 C1X1 118(2) 3_245 3_245 ?
O3X1 C2X1 C1X1 116(2) . 3_245 ?
C1G1 O1G1 Dy2 124.0(13) . . ?
C2G1 O3G1 Cr1 121.1(12) . . ?
C2G1 O3G1 Dy2 113.9(13) . . ?
Cr1 O3G1 Dy2 96.6(6) . . ?
C2G1 O3G1 Dy1 112.5(13) . . ?
Cr1 O3G1 Dy1 97.2(6) . . ?
Dy2 O3G1 Dy1 113.7(5) . . ?
O2G1 C1G1 O1G1 126(2) . . ?
O2G1 C1G1 C2G1 117(2) . . ?
O1G1 C1G1 C2G1 117.0(19) . . ?
O3G1 C2G1 C1G1 105.9(17) . . ?
C1A1 O1A1 Dy1 133.5(17) . . ?
C1A1 O2A1 Cr1 128.4(17) . . ?
O2A1 C1A1 O1A1 128(2) . . ?
O2A1 C1A1 C2A1 118(3) . . ?
O1A1 C1A1 C2A1 115(2) . . ?
C1A2 O1A2 Cr1 128.4(15) . . ?
C1A2 O2A2 Dy2 137.1(15) . . ?
O2A2 C1A2 O1A2 120(2) . . ?
O2A2 C1A2 C2A2 123(2) . . ?
O1A2 C1A2 C2A2 117(2) . . ?
C1A3 O1A3 Dy1 102.3(13) . . ?
C1A3 O2A3 Dy2 152.2(18) . . ?
C1A3 O2A3 Dy1 91.0(15) . . ?
Dy2 O2A3 Dy1 113.2(6) . . ?
O1A3 C1A3 O2A3 115(2) . . ?
O1A3 C1A3 C2A3 122(2) . . ?
O2A3 C1A3 C2A3 123(2) . . ?
O1A3 C1A3 Dy1 52.4(10) . . ?
O2A3 C1A3 Dy1 63.0(13) . . ?
C2A3 C1A3 Dy1 174.1(19) . . ?
C1A4 O1A4 Dy1 87.0(18) . . ?
C1A4 O2A4 Dy1 94(2) . . ?
O2A4 C1A4 O1A4 125(3) . . ?
O2A4 C1A4 C2A4 127(4) . . ?
O1A4 C1A4 C2A4 109(3) . . ?
O2A4 C1A4 Dy1 61.1(18) . . ?
O1A4 C1A4 Dy1 64.0(14) . . ?
C2A4 C1A4 Dy1 167(2) . . ?
C1A5 O1A5 Dy2 141.4(15) . . ?
O1A5 C1A5 O2A5 131(3) . . ?
O1A5 C1A5 C2A5 117(2) . . ?
O2A5 C1A5 C2A5 112(3) . . ?
C3A5 C2A5 C1A5 119(5) . . ?
S5A C3A5 C2A5 137(8) . . ?
S5A C3A5 S5 86(6) . . ?
C2A5 C3A5 S5 137(7) . . ?
C3A5 S5 S5A 38(4) . . ?
C3A5 S5A S5 56(5) . . ?
C5N2 N2 C3N2 113(3) . . ?
C5N2 N2 C1N2 113(2) . . ?
C3N2 N2 C1N2 113(3) . . ?
C5N2 N2 Cr2 113.2(15) . . ?
C3N2 N2 Cr2 101.2(17) . . ?
C1N2 N2 Cr2 102.8(16) . . ?
C2N2 O1N2 Cr2 106.6(19) . . ?
C2N2 O1N2 Dy3 143.1(18) . . ?
Cr2 O1N2 Dy3 106.5(7) . . ?
C4N2 O2N2 Cr2 115(2) . . ?
C4N2 O2N2 Dy4 137(2) . . ?
Cr2 O2N2 Dy4 105.5(7) . . ?
C2N2 C1N2 N2 110(3) . . ?
C1N2 C2N2 O1N2 118(3) . . ?
C4N2 C3N2 N2 114(3) . . ?
O2N2 C4N2 C3N2 116(3) . . ?
C6N2 C5N2 N2 116(3) . . ?
C7N2 C6N2 C5N2 116(4) . . ?
C6N2 C7N2 C8N2 124(5) . . ?
C1X2 O1X2 Dy4 123.1(14) . . ?
C1X2 O2X2 Dy3 123.0(16) 3_245 . ?
C2X2 O3X2 Dy3 119.5(13) 3_245 . ?
C2X2 O4X2 Dy4 122.5(16) . . ?
O1X2 C1X2 O2X2 133(3) . 2_475 ?
O1X2 C1X2 C2X2 115(2) . . ?
O2X2 C1X2 C2X2 112(3) 2_475 . ?
O4X2 C2X2 O3X2 132(2) . 2_475 ?
O4X2 C2X2 C1X2 112(2) . . ?
O3X2 C2X2 C1X2 116(2) 2_475 . ?
C1G2 O1G2 Dy3 121.9(14) . . ?
C2G2 O3G2 Cr2 122.3(14) . . ?
C2G2 O3G2 Dy4 113.2(13) . . ?
Cr2 O3G2 Dy4 97.6(6) . . ?
C2G2 O3G2 Dy3 112.3(14) . . ?
Cr2 O3G2 Dy3 96.8(6) . . ?
Dy4 O3G2 Dy3 113.0(6) . . ?
O2G2 C1G2 O1G2 121(2) . . ?
O2G2 C1G2 C2G2 123(2) . . ?
O1G2 C1G2 C2G2 116(2) . . ?
O3G2 C2G2 C1G2 110.1(19) . . ?
C1A6 O1A6 Dy3 136.5(16) . . ?
C1A6 O2A6 Cr2 127.5(15) . . ?
O1A6 C1A6 O2A6 121(2) . . ?
O1A6 C1A6 C2A6 125(3) . . ?
O2A6 C1A6 C2A6 113(2) . . ?
C3A6 C2A6 C4A6 47(3) . . ?
C3A6 C2A6 C1A6 103(4) . . ?
C4A6 C2A6 C1A6 106(3) . . ?
C4A6 C3A6 C2A6 70(5) . . ?
C4A6 C3A6 S61A 64(5) . . ?
C2A6 C3A6 S61A 127(5) . . ?
C4A6 C3A6 S61 40(5) . . ?
C2A6 C3A6 S61 103(5) . . ?
S61A C3A6 S61 25(4) . . ?
C3A6 C4A6 C2A6 63(5) . . ?
C3A6 C4A6 S61 117(7) . . ?
C2A6 C4A6 S61 149(6) . . ?
C3A6 C4A6 S61A 82(6) . . ?
C2A6 C4A6 S61A 138(5) . . ?
S61 C4A6 S61A 36(4) . . ?
S61A S61 C5A6 102(10) . . ?
S61A S61 C4A6 72(8) . . ?
C5A6 S61 C4A6 146(10) . . ?
S61A S61 C6A6 62(8) . . ?
C5A6 S61 C6A6 46(9) . . ?
C4A6 S61 C6A6 133(8) . . ?
S61A S61 C3A6 50(7) . . ?
C5A6 S61 C3A6 144(10) . . ?
C4A6 S61 C3A6 23(3) . . ?
C6A6 S61 C3A6 112(6) . . ?
S61 S61A C4A6 72(8) . . ?
S61 S61A C6A6 84(9) . . ?
C4A6 S61A C6A6 154(7) . . ?
S61 S61A C3A6 105(9) . . ?
C4A6 S61A C3A6 34(3) . . ?
C6A6 S61A C3A6 170(7) . . ?
S61 S61A C5A6 48(9) . . ?
C4A6 S61A C5A6 112(8) . . ?
C6A6 S61A C5A6 42(7) . . ?
C3A6 S61A C5A6 145(8) . . ?
C6A6 C5A6 S61 81(10) . . ?
C6A6 C5A6 S61A 55(9) . . ?
S61 C5A6 S61A 30(6) . . ?
C5A6 C6A6 S61A 82(10) . . ?
C5A6 C6A6 S61 53(10) . . ?
S61A C6A6 S61 33(4) . . ?
C1A7 O1A7 Cr2 125.8(18) . . ?
C1A7 O2A7 Dy4 140(2) . . ?
O2A7 C1A7 O1A7 123(3) . . ?
O2A7 C1A7 C2A7 121(3) . . ?
O1A7 C1A7 C2A7 116(3) . . ?
C1A9 O1A8 Dy4 89(2) . . ?
C1A9 O2A8 Dy4 90(2) . . ?
O1A8 C1A9 O2A8 126(3) . . ?
O1A8 C1A9 C2A9 115(3) . . ?
O2A8 C1A9 C2A9 118(4) . . ?
O1A8 C1A9 Dy4 64.6(18) . . ?
O2A8 C1A9 Dy4 62.8(17) . . ?
C2A9 C1A9 Dy4 162(2) . . ?
C1A8 O1A9 Dy4 102.2(14) . . ?
C1A8 O2A9 Dy3 151.9(17) . . ?
C1A8 O2A9 Dy4 90.6(15) . . ?
Dy3 O2A9 Dy4 111.7(5) . . ?
O1A9 C1A8 O2A9 117(2) . . ?
O1A9 C1A8 C2A8 123(2) . . ?
O2A9 C1A8 C2A8 120(3) . . ?
O1A9 C1A8 Dy4 54.1(12) . . ?
O2A9 C1A8 Dy4 62.7(12) . . ?
C2A8 C1A8 Dy4 174(2) . . ?
C1A0 O1A0 Dy3 134.8(17) . . ?
O1A0 C1A0 C2A0 119(3) . . ?
O1A0 C1A0 O2A0 126(2) . . ?
C2A0 C1A0 O2A0 114(3) . . ?
C51 O51 Dy5 93.3(19) . . ?
C51 O52 Dy5 97.4(16) . . ?
O52 C51 O51 115(3) . . ?
O52 C51 C52 128(3) . . ?
O51 C51 C52 117(3) . . ?
O52 C51 Dy5 56.4(14) . . ?
O51 C51 Dy5 59.1(15) . . ?
C52 C51 Dy5 173(2) . . ?
C61 O61 Dy6 90.7(17) . . ?
C61 O62 Dy6 94.3(15) 2_485 . ?
O62 C61 O61 120(3) 3_145 . ?
O62 C61 C62 119(2) 3_145 . ?
O61 C61 C62 121(3) . . ?
O62 C61 Dy6 58.4(14) 3_145 . ?
O61 C61 Dy6 61.6(14) . . ?
C62 C61 Dy6 174(2) . . ?
C63A C62 C63 32(4) . . ?
C63A C62 C61 125(5) . . ?
C63 C62 C61 108(4) . . ?
C63A C63 C62 73(9) . . ?
C63A C63 S6B 37(9) . . ?
C62 C63 S6B 99(5) . . ?
C63A C63 S6A 54(9) . . ?
C62 C63 S6A 97(4) . . ?
S6B C63 S6A 22(2) . . ?
C63A C63 S6 74(10) . . ?
C62 C63 S6 108(5) . . ?
S6B C63 S6 39(4) . . ?
S6A C63 S6 20(2) . . ?
C63 C63A C62 75(9) . . ?
C63 C63A S6B 124(10) . . ?
C62 C63A S6B 133(7) . . ?
C63 C63A S6A 105(10) . . ?
C62 C63A S6A 116(6) . . ?
S6B C63A S6A 26(3) . . ?
C63 C63A S6 85(10) . . ?
C62 C63A S6 113(6) . . ?
S6B C63A S6 43(4) . . ?
S6A C63A S6 21(3) . . ?
S6A S6 S6B 24(6) . . ?
S6A S6 C64 156(10) . . ?
S6B S6 C64 133(8) . . ?
S6A S6 C63A 56(8) . . ?
S6B S6 C63A 45(5) . . ?
C64 S6 C63A 116(7) . . ?
S6A S6 C63 78(8) . . ?
S6B S6 C63 66(5) . . ?
C64 S6 C63 97(6) . . ?
C63A S6 C63 22(3) . . ?
S6 S6A S6B 133(10) . . ?
S6 S6A C63A 103(9) . . ?
S6B S6A C63A 55(6) . . ?
S6 S6A C63 82(8) . . ?
S6B S6A C63 72(6) . . ?
C63A S6A C63 21(3) . . ?
S6 S6A C64 17(8) . . ?
S6B S6A C64 118(7) . . ?
C63A S6A C64 99(4) . . ?
C63 S6A C64 79(3) . . ?
S6A S6B S6 23(6) . . ?
S6A S6B C63A 99(8) . . ?
S6 S6B C63A 92(6) . . ?
S6A S6B C63 86(6) . . ?
S6 S6B C63 75(5) . . ?
C63A S6B C63 19(4) . . ?
S6 C64 S6A 8(4) . . ?
N1S C1S C2S 170(5) . . ?

_diffrn_measured_fraction_theta_max 0.995
_diffrn_reflns_theta_full        24.41
_diffrn_measured_fraction_theta_full 0.995
_refine_diff_density_max         4.421
_refine_diff_density_min         -1.046
_refine_diff_density_rms         0.219
_exptl_crystal_preparation       ', Magnetic properties'
####################################################################### 
# 
# 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_s1956b
_database_code_depnum_ccdc_archive 'CCDC 1487794'
_audit_update_record             
;
2016-06-27 deposited with the CCDC.
2016-09-12 downloaded from the CCDC.
;

_audit_creation_method           SHELXL-97
_chemical_name_systematic        
; 
 ? 
;
_chemical_name_common            ?
_chemical_melting_point          ?
_chemical_formula_moiety         ?
_chemical_formula_sum            'C156 H302.50 Cr6 N7.50 O146 S4.50 Tb14'
_chemical_formula_weight         7300.70

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'
S S 0.1246 0.1234 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Cr Cr 0.3209 0.6236 '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           Trigonal
_symmetry_space_group_name_H-M   P31c

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

_cell_length_a                   24.0037(6)
_cell_length_b                   24.0037(6)
_cell_length_c                   32.0420(9)
_cell_angle_alpha                90.00
_cell_angle_beta                 90.00
_cell_angle_gamma                120.00
_cell_volume                     15988.5(7)
_cell_formula_units_Z            2
_cell_measurement_temperature    120.0(1)
_cell_measurement_reflns_used    11133
_cell_measurement_theta_min      2.9950
_cell_measurement_theta_max      22.1110

_exptl_crystal_description       block
_exptl_crystal_colour            purple
_exptl_crystal_size_max          0.22
_exptl_crystal_size_mid          0.18
_exptl_crystal_size_min          0.15
_exptl_crystal_density_meas      ?
_exptl_crystal_density_diffrn    1.516
_exptl_crystal_density_method    'not measured'
_exptl_crystal_F_000             7170
_exptl_absorpt_coefficient_mu    3.357
_exptl_absorpt_correction_type   analytical
_exptl_absorpt_correction_T_min  0.5480
_exptl_absorpt_correction_T_max  0.6271
_exptl_absorpt_process_details   
;
CrysAlisPro, Agilent Technologies,
Version 1.171.36.28 (release 01-02-2013 CrysAlis171 .NET)
(compiled Feb  1 2013,16:14:44)
Analytical numeric absorption correction using a multifaceted crystal
			model based on expressions derived by R.C. Clark & J.S. Reid.
(Clark, R. C. & Reid, J. S. (1995). Acta Cryst. A51, 887-897)
;

_exptl_special_details           
; 
 ? 
;

_diffrn_ambient_temperature      120.0(1)
_diffrn_radiation_wavelength     0.71073
_diffrn_radiation_type           MoK\a
_diffrn_radiation_source         'SuperNova (Mo) X-ray Source'
_diffrn_radiation_monochromator  mirror
_diffrn_measurement_device_type  'SuperNova, Dual, Cu at zero, Atlas'
_diffrn_measurement_method       'ω scans'
_diffrn_detector_area_resol_mean 10.4623
_diffrn_reflns_number            73946
_diffrn_reflns_av_R_equivalents  0.1168
_diffrn_reflns_av_sigmaI/netI    0.1233
_diffrn_reflns_limit_h_min       -27
_diffrn_reflns_limit_h_max       24
_diffrn_reflns_limit_k_min       -27
_diffrn_reflns_limit_k_max       24
_diffrn_reflns_limit_l_min       -37
_diffrn_reflns_limit_l_max       37
_diffrn_reflns_theta_min         4.10
_diffrn_reflns_theta_max         24.40
_reflns_number_total             17388
_reflns_number_gt                11562
_reflns_threshold_expression     >2sigma(I)

_computing_data_collection       
;
CrysAlisPro, Agilent Technologies,
Version 1.171.36.28 (release 01-02-2013 CrysAlis171 .NET)
(compiled Feb  1 2013,16:14:44)
;
_computing_cell_refinement       
;
CrysAlisPro, Agilent Technologies,
Version 1.171.36.28 (release 01-02-2013 CrysAlis171 .NET)
(compiled Feb  1 2013,16:14:44)
;
_computing_data_reduction        
;
CrysAlisPro, Agilent Technologies,
Version 1.171.36.28 (release 01-02-2013 CrysAlis171 .NET)
(compiled Feb  1 2013,16:14:44)
;
_computing_structure_solution    'SHELXS-97 (Sheldrick, 2008)'
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 2008)'

_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)+(0.0928P)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    constr
_refine_ls_extinction_method     none
_refine_ls_extinction_coef       ?
_refine_ls_abs_structure_details 'Flack H D (1983), Acta Cryst. A39, 876-881'
_refine_ls_abs_structure_Flack   0.359(17)
_refine_ls_number_reflns         17388
_refine_ls_number_parameters     1039
_refine_ls_number_restraints     55
_refine_ls_R_factor_all          0.1237
_refine_ls_R_factor_gt           0.0709
_refine_ls_wR_factor_ref         0.1872
_refine_ls_wR_factor_gt          0.1570
_refine_ls_goodness_of_fit_ref   1.055
_refine_ls_restrained_S_all      1.054
_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
Tb1 Tb 0.59087(5) 0.73531(5) -0.09816(4) 0.0482(3) Uani 1 1 d . . .
Tb2 Tb 0.52398(4) 0.85805(4) -0.06750(4) 0.0400(2) Uani 1 1 d . . .
Tb3 Tb 0.60281(4) 0.81040(5) 0.19830(4) 0.0452(3) Uani 1 1 d . . .
Tb4 Tb 0.49368(4) 0.61708(4) 0.16727(4) 0.0388(2) Uani 1 1 d . . .
Tb5 Tb 0.3333 0.6667 -0.21418(5) 0.0417(4) Uani 1 3 d S . .
Tb6 Tb 0.3333 0.6667 0.31217(5) 0.0421(4) Uani 1 3 d S . .
Cr1 Cr 0.66735(14) 0.87359(16) -0.04350(10) 0.0484(8) Uani 1 1 d . . .
Cr2 Cr 0.64659(15) 0.72093(15) 0.14065(10) 0.0444(8) Uani 1 1 d . . .
O1X1 O 0.4227(6) 0.8063(6) -0.1051(3) 0.048(3) Uani 1 1 d . . .
O2X1 O 0.4751(6) 0.6736(6) -0.1130(4) 0.046(3) Uani 1 1 d . . .
O3X1 O 0.5300(6) 0.6447(6) -0.0523(3) 0.042(3) Uani 1 1 d . . .
O4X1 O 0.4465(6) 0.8814(6) -0.0394(3) 0.045(3) Uani 1 1 d . . .
C1X1 C 0.3794(12) 0.8197(10) -0.0966(5) 0.050(5) Uani 1 1 d U . .
C2X1 C 0.3958(9) 0.8697(9) -0.0578(5) 0.039(4) Uani 1 1 d U . .
N1 N 0.7578(7) 0.9503(7) -0.0593(5) 0.051(4) Uani 1 1 d . . .
O1N1 O 0.6319(6) 0.9211(5) -0.0716(3) 0.043(3) Uani 1 1 d . . .
O2N1 O 0.6767(6) 0.8391(7) -0.0955(4) 0.062(4) Uani 1 1 d . . .
C1N1 C 0.7410(14) 0.9979(13) -0.0814(9) 0.103(10) Uani 1 1 d . . .
H1NA H 0.7453 1.0309 -0.0611 0.124 Uiso 1 1 calc R . .
H1NB H 0.7723 1.0201 -0.1042 0.124 Uiso 1 1 calc R . .
C2N1 C 0.6810(11) 0.9685(13) -0.0974(9) 0.091(9) Uani 1 1 d . . .
H2N1 H 0.6814 0.9479 -0.1241 0.110 Uiso 1 1 calc R . .
H2N2 H 0.6694 1.0018 -0.1039 0.110 Uiso 1 1 calc R . .
C4N1 C 0.7325(10) 0.8715(11) -0.1153(8) 0.074(7) Uani 1 1 d . . .
H4N1 H 0.7271 0.8934 -0.1399 0.088 Uiso 1 1 calc R . .
H4N2 H 0.7459 0.8410 -0.1255 0.088 Uiso 1 1 calc R . .
C3N1 C 0.7822(12) 0.9188(14) -0.0885(7) 0.085(8) Uani 1 1 d . . .
H3NA H 0.8167 0.9522 -0.1060 0.102 Uiso 1 1 calc R . .
H3NB H 0.8013 0.8976 -0.0720 0.102 Uiso 1 1 calc R . .
C5N1 C 0.8036(9) 0.9790(10) -0.0245(7) 0.056(6) Uani 1 1 d . . .
H5NA H 0.7847 0.9967 -0.0047 0.068 Uiso 1 1 calc R . .
H5NB H 0.8049 0.9433 -0.0099 0.068 Uiso 1 1 calc R . .
C6N1 C 0.8693(10) 1.0285(14) -0.0314(11) 0.106(10) Uani 1 1 d U . .
H6NA H 0.8885 1.0107 -0.0507 0.127 Uiso 1 1 calc R . .
H6NB H 0.8681 1.0640 -0.0463 0.127 Uiso 1 1 calc R . .
C7N1 C 0.9108(16) 1.0552(15) 0.0010(11) 0.122(11) Uani 1 1 d U . .
H7N1 H 0.9036 1.0193 0.0197 0.146 Uiso 1 1 calc R . .
H7N2 H 0.8966 1.0815 0.0167 0.146 Uiso 1 1 calc R . .
C8N1 C 0.9841(15) 1.0974(17) -0.0044(14) 0.151(15) Uani 1 1 d . . .
H8NA H 1.0047 1.1088 0.0231 0.227 Uiso 1 1 calc R . .
H8NB H 0.9939 1.1367 -0.0196 0.227 Uiso 1 1 calc R . .
H8NC H 1.0004 1.0735 -0.0201 0.227 Uiso 1 1 calc R . .
O1G1 O 0.4549(5) 0.7591(6) -0.0327(3) 0.039(3) Uani 1 1 d . . .
O2G1 O 0.4431(6) 0.6801(6) 0.0085(3) 0.040(3) Uani 1 1 d . . .
O3G1 O 0.5785(6) 0.7994(6) -0.0420(4) 0.047(3) Uani 1 1 d . . .
C1G1 C 0.4766(9) 0.7289(9) -0.0085(6) 0.038(4) Uani 1 1 d . . .
C2G1 C 0.5505(8) 0.7631(9) -0.0055(5) 0.039(4) Uani 1 1 d . . .
H2GA H 0.5653 0.7919 0.0191 0.047 Uiso 1 1 calc R . .
H2GB H 0.5643 0.7308 -0.0020 0.047 Uiso 1 1 calc R . .
O1A1 O 0.7051(6) 0.8317(8) -0.0113(4) 0.055(4) Uani 1 1 d . . .
O2A1 O 0.6566(6) 0.7342(7) -0.0449(4) 0.059(4) Uani 1 1 d . . .
C1A1 C 0.6960(9) 0.7732(11) -0.0189(6) 0.050(5) Uani 1 1 d U . .
C2A1 C 0.7360(9) 0.7523(11) 0.0076(7) 0.062(6) Uani 1 1 d . . .
H2AA H 0.7257 0.7088 -0.0006 0.094 Uiso 1 1 calc R . .
H2AB H 0.7258 0.7525 0.0372 0.094 Uiso 1 1 calc R . .
H2AC H 0.7819 0.7822 0.0030 0.094 Uiso 1 1 calc R . .
O1A2 O 0.6580(6) 0.9091(6) 0.0101(4) 0.050(3) Uani 1 1 d . . .
O2A2 O 0.5596(6) 0.8966(6) 0.0025(4) 0.053(4) Uani 1 1 d . . .
C1A2 C 0.6124(9) 0.9198(9) 0.0209(5) 0.043(5) Uani 1 1 d . . .
C2A2 C 0.6201(8) 0.9551(9) 0.0614(6) 0.052(5) Uani 1 1 d D . .
C3A2 C 0.611(3) 1.0074(19) 0.0509(16) 0.003(13) Uiso 0.20 1 d PD . .
S2 S 0.680(3) 1.072(3) 0.0171(19) 0.081(16) Uiso 0.12 1 d P . .
S2A S 0.643(3) 1.071(3) 0.028(2) 0.052(16) Uiso 0.08 1 d P . .
C5A2 C 0.661(4) 1.121(4) -0.004(2) 0.023(17) Uiso 0.20 1 d P . .
O1A3 O 0.5878(6) 0.7745(7) -0.1688(4) 0.052(4) Uani 1 1 d . . .
O2A3 O 0.5441(6) 0.8086(7) -0.1240(4) 0.052(3) Uani 1 1 d . . .
C1A3 C 0.5668(10) 0.8099(10) -0.1614(5) 0.044(5) Uani 1 1 d . . .
C2A3 C 0.5609(11) 0.8481(11) -0.1950(7) 0.073(7) Uani 1 1 d . . .
H2AG H 0.5154 0.8304 -0.2020 0.110 Uiso 1 1 calc R . .
H2AH H 0.5842 0.8466 -0.2197 0.110 Uiso 1 1 calc R . .
H2AI H 0.5791 0.8928 -0.1858 0.110 Uiso 1 1 calc R . .
O1A4 O 0.5700(8) 0.6450(8) -0.1454(4) 0.068(4) Uani 1 1 d . . .
O2A4 O 0.6722(7) 0.7247(8) -0.1373(5) 0.066(4) Uani 1 1 d . . .
C1A4 C 0.6280(15) 0.6763(12) -0.1556(7) 0.067(7) Uani 1 1 d . . .
C2A4 C 0.6503(15) 0.6658(14) -0.1968(8) 0.100(9) Uani 1 1 d . . .
H2AD H 0.6583 0.6297 -0.1947 0.150 Uiso 1 1 calc R . .
H2AE H 0.6901 0.7048 -0.2049 0.150 Uiso 1 1 calc R . .
H2AF H 0.6171 0.6562 -0.2179 0.150 Uiso 1 1 calc R . .
O1A5 O 0.5306(6) 0.9348(7) -0.1130(4) 0.052(3) Uani 1 1 d . . .
O2A5 O 0.5639(11) 1.0270(10) -0.1463(6) 0.134(9) Uani 1 1 d . . .
C1A5 C 0.5521(13) 0.9960(15) -0.1122(8) 0.081(8) Uani 1 1 d . . .
C2A5 C 0.573(2) 1.0301(16) -0.0700(11) 0.067(9) Uiso 0.69(4) 1 d P . .
C3A5 C 0.530(4) 1.023(4) -0.074(2) 0.067(9) Uiso 0.31(4) 1 d P . .
O1X2 O 0.5590(7) 0.8611(6) 0.1529(4) 0.046(3) Uani 1 1 d . . .
O2X2 O 0.4026(6) 0.5219(6) 0.1392(4) 0.040(3) Uani 1 1 d . . .
O3X2 O 0.3946(6) 0.5856(6) 0.2057(3) 0.039(3) Uani 1 1 d . . .
O4X2 O 0.4914(6) 0.7816(6) 0.2125(4) 0.040(3) Uani 1 1 d . . .
C1X2 C 0.5033(10) 0.8549(8) 0.1592(5) 0.038(5) Uani 1 1 d . . .
C2X2 C 0.3453(10) 0.5339(9) 0.1953(6) 0.040(5) Uani 1 1 d . . .
N2 N 0.7270(7) 0.7116(9) 0.1549(6) 0.061(5) Uani 1 1 d . . .
O1N2 O 0.5968(6) 0.6375(6) 0.1684(4) 0.043(3) Uani 1 1 d . . .
O2N2 O 0.6696(6) 0.7670(6) 0.1930(4) 0.049(3) Uani 1 1 d . . .
C1N2 C 0.7012(9) 0.6507(10) 0.1769(6) 0.055(5) Uani 1 1 d . . .
H1NC H 0.7320 0.6537 0.1985 0.066 Uiso 1 1 calc R . .
H1ND H 0.6946 0.6163 0.1570 0.066 Uiso 1 1 calc R . .
C2N2 C 0.6368(11) 0.6343(13) 0.1973(6) 0.076(7) Uani 1 1 d . . .
H2NA H 0.6164 0.5905 0.2093 0.091 Uiso 1 1 calc R . .
H2NB H 0.6445 0.6650 0.2202 0.091 Uiso 1 1 calc R . .
C3N2 C 0.7642(10) 0.7660(11) 0.1790(8) 0.068(7) Uani 1 1 d . . .
H3NC H 0.7858 0.8037 0.1602 0.082 Uiso 1 1 calc R . .
H3ND H 0.7982 0.7609 0.1929 0.082 Uiso 1 1 calc R . .
C4N2 C 0.7275(11) 0.7798(13) 0.2119(7) 0.073(7) Uani 1 1 d . . .
H4NA H 0.7191 0.7518 0.2366 0.087 Uiso 1 1 calc R . .
H4NB H 0.7523 0.8253 0.2210 0.087 Uiso 1 1 calc R . .
C5N2 C 0.7621(10) 0.7097(14) 0.1150(7) 0.078(8) Uani 1 1 d . . .
H5NC H 0.7315 0.6735 0.0973 0.093 Uiso 1 1 calc R . .
H5ND H 0.7764 0.7500 0.0991 0.093 Uiso 1 1 calc R . .
C6N2 C 0.8194(11) 0.7022(12) 0.1238(6) 0.070(6) Uani 1 1 d DU . .
H6NC H 0.8527 0.7400 0.1391 0.084 Uiso 1 1 calc R . .
H6ND H 0.8068 0.6631 0.1406 0.084 Uiso 1 1 calc R . .
C7N2 C 0.8439(17) 0.697(2) 0.0814(7) 0.135(12) Uani 1 1 d DU . .
H7NA H 0.8136 0.6539 0.0697 0.163 Uiso 1 1 calc R . .
H7NB H 0.8434 0.7293 0.0628 0.163 Uiso 1 1 calc R . .
C8N2 C 0.9114(17) 0.7054(19) 0.0807(13) 0.143(12) Uani 1 1 d U . .
H8ND H 0.9240 0.7042 0.0517 0.214 Uiso 1 1 calc R . .
H8NE H 0.9117 0.6707 0.0966 0.214 Uiso 1 1 calc R . .
H8NF H 0.9419 0.7470 0.0932 0.214 Uiso 1 1 calc R . .
O1G2 O 0.4419(5) 0.6669(5) 0.1325(3) 0.030(3) Uani 1 1 d . . .
O2G2 O 0.4464(6) 0.7462(6) 0.0938(4) 0.041(3) Uani 1 1 d . . .
O3G2 O 0.5687(6) 0.7290(6) 0.1419(3) 0.037(3) Uani 1 1 d . . .
C1G2 C 0.4714(8) 0.7170(8) 0.1113(5) 0.032(4) Uani 1 1 d . . .
C2G2 C 0.5454(8) 0.7448(8) 0.1062(5) 0.033(4) Uani 1 1 d . . .
H2GC H 0.5540 0.7263 0.0810 0.040 Uiso 1 1 calc R . .
H2GD H 0.5674 0.7921 0.1028 0.040 Uiso 1 1 calc R . .
O1A6 O 0.6997(6) 0.8019(8) 0.1099(4) 0.057(4) Uani 1 1 d . . .
O2A6 O 0.6764(6) 0.8693(6) 0.1429(4) 0.051(3) Uani 1 1 d . . .
C1A6 C 0.7069(9) 0.8572(9) 0.1171(6) 0.042(5) Uani 1 1 d . . .
C2A6 C 0.7552(11) 0.9079(11) 0.0898(7) 0.066(6) Uani 1 1 d . . .
H2AP H 0.7603 0.9496 0.0978 0.099 Uiso 1 1 calc R . .
H2AQ H 0.7409 0.8986 0.0607 0.099 Uiso 1 1 calc R . .
H2AR H 0.7964 0.9092 0.0928 0.099 Uiso 1 1 calc R . .
O1A7 O 0.6227(6) 0.6728(6) 0.0859(4) 0.044(3) Uani 1 1 d . . .
O2A7 O 0.5211(6) 0.6043(6) 0.0967(4) 0.045(3) Uani 1 1 d . . .
C1A7 C 0.5722(11) 0.6246(10) 0.0760(5) 0.044(5) Uani 1 1 d . . .
C2A7 C 0.5704(11) 0.5906(10) 0.0365(6) 0.065(6) Uani 1 1 d . . .
H2A1 H 0.5272 0.5535 0.0326 0.098 Uiso 1 1 calc R . .
H2A2 H 0.6017 0.5759 0.0381 0.098 Uiso 1 1 calc R . .
H2A3 H 0.5810 0.6202 0.0129 0.098 Uiso 1 1 calc R . .
O1A8 O 0.5862(7) 0.7663(7) 0.2678(4) 0.055(4) Uani 1 1 d . . .
O2A8 O 0.5309(6) 0.6874(7) 0.2225(4) 0.052(3) Uani 1 1 d . . .
C1A8 C 0.5478(9) 0.7035(11) 0.2609(6) 0.049(5) Uani 1 1 d . . .
C2A8 C 0.5223(10) 0.6575(9) 0.2948(5) 0.049(5) Uani 1 1 d . . .
H2AS H 0.4788 0.6232 0.2877 0.074 Uiso 1 1 calc R . .
H2AT H 0.5207 0.6793 0.3203 0.074 Uiso 1 1 calc R . .
H2AU H 0.5501 0.6390 0.2994 0.074 Uiso 1 1 calc R . .
O1A9 O 0.6942(7) 0.8898(7) 0.2374(5) 0.067(4) Uani 1 1 d . . .
O2A9 O 0.6053(8) 0.8941(7) 0.2431(4) 0.061(4) Uani 1 1 d . . .
C1A9 C 0.6646(14) 0.9125(10) 0.2546(7) 0.071(7) Uani 1 1 d . . .
C2A9 C 0.6873(13) 0.9593(13) 0.2929(8) 0.091(8) Uani 1 1 d U . .
H2AJ H 0.7040 1.0035 0.2831 0.137 Uiso 1 1 calc R . .
H2AK H 0.7213 0.9562 0.3079 0.137 Uiso 1 1 calc R . .
H2AL H 0.6509 0.9474 0.3117 0.137 Uiso 1 1 calc R . .
O1A0 O 0.4841(6) 0.5375(6) 0.2120(4) 0.045(3) Uani 1 1 d . . .
O2A0 O 0.4932(9) 0.4590(9) 0.2434(6) 0.097(6) Uani 1 1 d . . .
C1A0 C 0.4926(10) 0.4920(13) 0.2116(6) 0.062(6) Uani 1 1 d U . .
C2A0 C 0.5055(13) 0.4692(13) 0.1684(7) 0.083(8) Uani 1 1 d D . .
C3A0 C 0.503(3) 0.4050(19) 0.170(2) 0.059(19) Uiso 0.30 1 d PD . .
S10 S 0.4885(9) 0.3523(9) 0.1361(6) 0.058(5) Uiso 0.30 1 d P . .
C4A0 C 0.478(4) 0.288(4) 0.161(3) 0.08(2) Uiso 0.30 1 d P . .
O5 O 0.4128(6) 0.7174(6) -0.1616(4) 0.049(3) Uani 1 1 d . . .
O51 O 0.3721(7) 0.7830(6) -0.2196(4) 0.060(4) Uani 1 1 d . . .
O52 O 0.2822(8) 0.5796(8) -0.2629(4) 0.070(4) Uani 1 1 d . . .
C51 C 0.3318(11) 0.7739(13) -0.2502(7) 0.062(6) Uani 1 1 d . . .
C52 C 0.3301(15) 0.8294(12) -0.2619(9) 0.105(11) Uani 1 1 d . . .
H52A H 0.3276 0.8310 -0.2923 0.158 Uiso 1 1 calc R . .
H52B H 0.3691 0.8676 -0.2520 0.158 Uiso 1 1 calc R . .
H52C H 0.2923 0.8283 -0.2494 0.158 Uiso 1 1 calc R . .
O6 O 0.2707(6) 0.5923(6) 0.2591(3) 0.043(3) Uani 1 1 d . . .
O61 O 0.4273(6) 0.7772(6) 0.3167(4) 0.045(3) Uani 1 1 d . . .
O62 O 0.4223(7) 0.7024(7) 0.3598(4) 0.058(4) Uani 1 1 d . . .
C61 C 0.4517(11) 0.7571(11) 0.3449(6) 0.056(6) Uani 1 1 d . . .
C62 C 0.5209(10) 0.8028(11) 0.3601(7) 0.066(6) Uani 1 1 d . . .
C63 C 0.541(2) 0.775(3) 0.3882(17) 0.095(15) Uiso 0.60 1 d P . .
C63A C 0.535(3) 0.801(3) 0.402(2) 0.071(17) Uiso 0.40 1 d P . .
S6 S 0.6301(13) 0.8363(12) 0.4020(8) 0.057(7) Uiso 0.25 1 d P . .
S6A S 0.6121(18) 0.8423(17) 0.4145(12) 0.043(9) Uiso 0.15 1 d P . .
S6B S 0.591(4) 0.855(3) 0.437(2) 0.053(18) Uiso 0.07 1 d P . .
C64 C 0.630(4) 0.804(4) 0.461(3) 0.06(2) Uiso 0.25 1 d P . .
O1W O 0.4419(6) 0.8447(6) 0.0501(4) 0.059(4) Uani 1 1 d . . .
O2W O 0.3333 0.6667 0.0495(10) 0.074(8) Uani 1 3 d S . .
O3W O 0.3333 0.6667 -0.0620(7) 0.048(6) Uani 1 3 d S . .
O4W O 0.3333 0.6667 0.1656(7) 0.040(7) Uani 0.75 3 d SP . .
O5W O 0.4479(9) 0.9061(9) -0.1829(6) 0.063(5) Uani 0.75 1 d P . .
O6W O 0.5048(8) 0.8997(7) 0.2829(4) 0.073(4) Uani 1 1 d . . .
O7W O 0.8757(13) 1.1908(12) 0.2663(7) 0.053(7) Uani 0.50 1 d P . .
O8W O 0.493(2) 1.111(2) -0.0494(13) 0.031(10) Uiso 0.25 1 d P . .
O9W O 0.860(2) 0.937(2) 0.1401(14) 0.042(12) Uiso 0.25 1 d P . .
N1S N 0.9141(15) 0.6912(18) 0.2194(11) 0.058(10) Uani 0.50 1 d P . .
C1S C 0.9445(14) 0.6816(17) 0.1950(10) 0.055(13) Uani 0.50 1 d PD . .
C2S C 0.9913(14) 0.6730(15) 0.1680(8) 0.026(7) Uani 0.50 1 d PD . .
H2SA H 0.9677 0.6416 0.1460 0.040 Uiso 1 1 calc R . .
H2SB H 1.0145 0.6575 0.1852 0.040 Uiso 1 1 calc R . .
H2SC H 1.0220 0.7143 0.1554 0.040 Uiso 1 1 calc R . .


_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 O2N1 2.307(13) . ?
Tb1 O2A1 2.334(14) . ?
Tb1 O3X1 2.419(11) . ?
Tb1 O2A4 2.439(14) . ?
Tb1 O2X1 2.455(13) . ?
Tb1 O1A3 2.465(12) . ?
Tb1 O3G1 2.479(13) . ?
Tb1 O1A4 2.481(16) . ?
Tb1 O2A3 2.648(13) . ?
Tb1 C1A4 2.73(2) . ?
Tb1 C1A3 2.944(17) . ?
Tb1 Cr1 3.371(3) . ?
Tb2 O1N1 2.259(12) . ?
Tb2 O1A5 2.292(13) . ?
Tb2 O2A3 2.344(12) . ?
Tb2 O4X1 2.370(13) . ?
Tb2 O1G1 2.386(11) . ?
Tb2 O2A2 2.413(12) . ?
Tb2 O1X1 2.426(12) . ?
Tb2 O3G1 2.491(13) . ?
Tb2 Cr1 3.360(3) . ?
Tb3 O2N2 2.313(13) . ?
Tb3 O2A6 2.402(13) . ?
Tb3 O1A8 2.412(13) . ?
Tb3 O1A9 2.415(14) . ?
Tb3 O1X2 2.445(13) . ?
Tb3 O2A9 2.446(13) . ?
Tb3 O4X2 2.448(12) . ?
Tb3 O3G2 2.480(11) . ?
Tb3 O2A8 2.683(14) . ?
Tb3 C1A9 2.80(2) . ?
Tb3 C1A8 2.99(2) . ?
Tb3 Cr2 3.374(3) . ?
Tb4 O1N2 2.270(12) . ?
Tb4 O2A8 2.296(13) . ?
Tb4 O1A0 2.307(12) . ?
Tb4 O1G2 2.388(11) . ?
Tb4 O2X2 2.411(12) . ?
Tb4 O2A7 2.416(12) . ?
Tb4 O3X2 2.439(11) . ?
Tb4 O3G2 2.506(12) . ?
Tb4 Cr2 3.356(3) . ?
Tb5 O5 2.374(12) 2_665 ?
Tb5 O5 2.374(12) . ?
Tb5 O5 2.374(12) 3_565 ?
Tb5 O52 2.396(14) . ?
Tb5 O52 2.396(14) 3_565 ?
Tb5 O52 2.396(14) 2_665 ?
Tb5 O51 2.468(13) 3_565 ?
Tb5 O51 2.469(13) . ?
Tb5 O51 2.469(13) 2_665 ?
Tb5 C51 2.84(2) . ?
Tb5 C51 2.84(2) 2_665 ?
Tb5 C51 2.84(2) 3_565 ?
Tb6 O6 2.379(11) 2_665 ?
Tb6 O6 2.379(11) . ?
Tb6 O6 2.379(11) 3_565 ?
Tb6 O62 2.407(13) . ?
Tb6 O62 2.407(13) 2_665 ?
Tb6 O62 2.407(13) 3_565 ?
Tb6 O61 2.482(12) . ?
Tb6 O61 2.482(12) 2_665 ?
Tb6 O61 2.482(12) 3_565 ?
Tb6 C61 2.78(2) 2_665 ?
Tb6 C61 2.78(2) 3_565 ?
Tb6 C61 2.78(2) . ?
Cr1 O2N1 1.922(15) . ?
Cr1 O1A1 1.951(14) . ?
Cr1 O1N1 1.949(12) . ?
Cr1 O1A2 1.978(14) . ?
Cr1 O3G1 1.982(12) . ?
Cr1 N1 2.089(15) . ?
Cr2 O2N2 1.932(13) . ?
Cr2 O1N2 1.959(12) . ?
Cr2 O3G2 1.974(12) . ?
Cr2 O1A6 1.975(14) . ?
Cr2 O1A7 2.019(13) . ?
Cr2 N2 2.101(17) . ?
O1X1 C1X1 1.26(2) . ?
O2X1 C1X1 1.24(2) 3_565 ?
O3X1 C2X1 1.22(2) 3_565 ?
O4X1 C2X1 1.25(2) . ?
C1X1 O2X1 1.24(2) 2_665 ?
C1X1 C2X1 1.63(2) . ?
C2X1 O3X1 1.22(2) 2_665 ?
N1 C5N1 1.47(3) . ?
N1 C3N1 1.49(3) . ?
N1 C1N1 1.56(3) . ?
O1N1 C2N1 1.42(2) . ?
O2N1 C4N1 1.33(2) . ?
C1N1 C2N1 1.35(3) . ?
C4N1 C3N1 1.45(3) . ?
C5N1 C6N1 1.44(3) . ?
C6N1 C7N1 1.36(4) . ?
C7N1 C8N1 1.54(4) . ?
O1G1 C1G1 1.33(2) . ?
O2G1 C1G1 1.17(2) . ?
O3G1 C2G1 1.412(19) . ?
C1G1 C2G1 1.54(3) . ?
O1A1 C1A1 1.33(3) . ?
O2A1 C1A1 1.26(2) . ?
C1A1 C2A1 1.54(3) . ?
O1A2 C1A2 1.29(2) . ?
O2A2 C1A2 1.25(2) . ?
C1A2 C2A2 1.51(3) . ?
C2A2 C3A2 1.420(2) . ?
C3A2 S2A 1.52(8) . ?
C3A2 S2 1.94(8) . ?
S2 S2A 0.95(7) . ?
S2 C5A2 1.62(9) . ?
S2A C5A2 1.46(10) . ?
O1A3 C1A3 1.21(2) . ?
O2A3 C1A3 1.31(2) . ?
C1A3 C2A3 1.47(3) . ?
O1A4 C1A4 1.25(3) . ?
O2A4 C1A4 1.26(3) . ?
C1A4 C2A4 1.49(3) . ?
O1A5 C1A5 1.29(3) . ?
O2A5 C1A5 1.27(3) . ?
C1A5 C2A5 1.53(4) . ?
C1A5 C3A5 1.60(8) . ?
C2A5 C3A5 0.96(8) . ?
O1X2 C1X2 1.28(2) . ?
O2X2 C1X2 1.24(2) 3_565 ?
O3X2 C2X2 1.26(2) . ?
O4X2 C2X2 1.27(2) 2_665 ?
C1X2 O2X2 1.24(2) 2_665 ?
C1X2 C2X2 1.51(2) 2_665 ?
C2X2 O4X2 1.27(2) 3_565 ?
C2X2 C1X2 1.51(2) 3_565 ?
N2 C3N2 1.39(3) . ?
N2 C1N2 1.45(3) . ?
N2 C5N2 1.54(3) . ?
O1N2 C2N2 1.36(2) . ?
O2N2 C4N2 1.40(2) . ?
C1N2 C2N2 1.54(3) . ?
C3N2 C4N2 1.51(3) . ?
C5N2 C6N2 1.50(3) . ?
C6N2 C7N2 1.511(2) . ?
C7N2 C8N2 1.53(4) . ?
O1G2 C1G2 1.25(2) . ?
O2G2 C1G2 1.26(2) . ?
O3G2 C2G2 1.408(19) . ?
C1G2 C2G2 1.56(2) . ?
O1A6 C1A6 1.27(2) . ?
O2A6 C1A6 1.23(2) . ?
C1A6 C2A6 1.48(3) . ?
O1A7 C1A7 1.23(2) . ?
O2A7 C1A7 1.26(2) . ?
C1A7 C2A7 1.49(3) . ?
O1A8 C1A8 1.34(2) . ?
O2A8 C1A8 1.29(2) . ?
C1A8 C2A8 1.45(3) . ?
O1A9 C1A9 1.22(3) . ?
O2A9 C1A9 1.32(3) . ?
C1A9 C2A9 1.57(3) . ?
O1A0 C1A0 1.20(3) . ?
O2A0 C1A0 1.30(2) . ?
C1A0 C2A0 1.58(3) . ?
C2A0 C3A0 1.510(2) . ?
C3A0 S10 1.58(6) . ?
S10 C4A0 1.63(9) . ?
O51 C51 1.32(2) . ?
O52 C51 1.24(3) 2_665 ?
C51 O52 1.24(3) 3_565 ?
C51 C52 1.40(3) . ?
O61 C61 1.29(2) . ?
O62 C61 1.23(2) . ?
C61 C62 1.54(3) . ?
C62 C63 1.35(5) . ?
C62 C63A 1.39(7) . ?
C63 C63A 0.83(7) . ?
C63 S6A 1.87(6) . ?
C63 S6 1.95(6) . ?
C63 S6B 2.29(9) . ?
C63A S6A 1.65(7) . ?
C63A S6B 1.73(10) . ?
C63A S6 1.99(7) . ?
S6 S6A 0.66(4) . ?
S6 S6B 1.65(8) . ?
S6 C64 2.04(9) . ?
S6A S6B 1.00(7) . ?
S6A C64 1.91(10) . ?
S6B C64 2.02(11) . ?
N1S C1S 1.17(4) . ?
C1S C2S 1.510(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
O2N1 Tb1 O2A1 75.0(5) . . ?
O2N1 Tb1 O3X1 139.5(4) . . ?
O2A1 Tb1 O3X1 69.7(4) . . ?
O2N1 Tb1 O2A4 78.6(5) . . ?
O2A1 Tb1 O2A4 78.1(5) . . ?
O3X1 Tb1 O2A4 111.9(5) . . ?
O2N1 Tb1 O2X1 142.1(5) . . ?
O2A1 Tb1 O2X1 134.6(4) . . ?
O3X1 Tb1 O2X1 65.3(4) . . ?
O2A4 Tb1 O2X1 124.2(5) . . ?
O2N1 Tb1 O1A3 78.7(5) . . ?
O2A1 Tb1 O1A3 145.6(4) . . ?
O3X1 Tb1 O1A3 141.3(4) . . ?
O2A4 Tb1 O1A3 75.3(5) . . ?
O2X1 Tb1 O1A3 79.2(4) . . ?
O2N1 Tb1 O3G1 67.8(4) . . ?
O2A1 Tb1 O3G1 76.6(5) . . ?
O3X1 Tb1 O3G1 84.9(4) . . ?
O2A4 Tb1 O3G1 142.1(5) . . ?
O2X1 Tb1 O3G1 93.7(4) . . ?
O1A3 Tb1 O3G1 113.2(4) . . ?
O2N1 Tb1 O1A4 130.3(5) . . ?
O2A1 Tb1 O1A4 106.2(5) . . ?
O3X1 Tb1 O1A4 79.5(4) . . ?
O2A4 Tb1 O1A4 54.4(5) . . ?
O2X1 Tb1 O1A4 71.4(5) . . ?
O1A3 Tb1 O1A4 75.0(5) . . ?
O3G1 Tb1 O1A4 161.8(4) . . ?
O2N1 Tb1 O2A3 75.0(5) . . ?
O2A1 Tb1 O2A3 138.6(5) . . ?
O3X1 Tb1 O2A3 121.4(4) . . ?
O2A4 Tb1 O2A3 122.4(4) . . ?
O2X1 Tb1 O2A3 67.2(4) . . ?
O1A3 Tb1 O2A3 49.9(4) . . ?
O3G1 Tb1 O2A3 66.0(4) . . ?
O1A4 Tb1 O2A3 114.9(4) . . ?
O2N1 Tb1 C1A4 103.8(7) . . ?
O2A1 Tb1 C1A4 95.1(6) . . ?
O3X1 Tb1 C1A4 98.6(6) . . ?
O2A4 Tb1 C1A4 27.5(6) . . ?
O2X1 Tb1 C1A4 97.0(7) . . ?
O1A3 Tb1 C1A4 70.1(5) . . ?
O3G1 Tb1 C1A4 169.3(7) . . ?
O1A4 Tb1 C1A4 27.2(6) . . ?
O2A3 Tb1 C1A4 119.4(5) . . ?
O2N1 Tb1 C1A3 73.1(5) . . ?
O2A1 Tb1 C1A3 148.1(5) . . ?
O3X1 Tb1 C1A3 138.7(5) . . ?
O2A4 Tb1 C1A3 96.9(5) . . ?
O2X1 Tb1 C1A3 74.2(5) . . ?
O1A3 Tb1 C1A3 23.7(4) . . ?
O3G1 Tb1 C1A3 90.1(5) . . ?
O1A4 Tb1 C1A3 95.5(5) . . ?
O2A3 Tb1 C1A3 26.4(4) . . ?
C1A4 Tb1 C1A3 93.8(6) . . ?
O2N1 Tb1 Cr1 33.4(3) . . ?
O2A1 Tb1 Cr1 66.0(4) . . ?
O3X1 Tb1 Cr1 110.9(3) . . ?
O2A4 Tb1 Cr1 107.4(4) . . ?
O2X1 Tb1 Cr1 126.1(3) . . ?
O1A3 Tb1 Cr1 101.9(3) . . ?
O3G1 Tb1 Cr1 35.7(3) . . ?
O1A4 Tb1 Cr1 161.8(4) . . ?
O2A3 Tb1 Cr1 73.2(3) . . ?
C1A4 Tb1 Cr1 134.7(7) . . ?
C1A3 Tb1 Cr1 86.3(4) . . ?
O1N1 Tb2 O1A5 80.2(4) . . ?
O1N1 Tb2 O2A3 80.6(4) . . ?
O1A5 Tb2 O2A3 88.1(5) . . ?
O1N1 Tb2 O4X1 129.5(4) . . ?
O1A5 Tb2 O4X1 78.4(4) . . ?
O2A3 Tb2 O4X1 142.8(4) . . ?
O1N1 Tb2 O1G1 133.4(4) . . ?
O1A5 Tb2 O1G1 146.3(4) . . ?
O2A3 Tb2 O1G1 94.2(4) . . ?
O4X1 Tb2 O1G1 79.7(4) . . ?
O1N1 Tb2 O2A2 74.3(4) . . ?
O1A5 Tb2 O2A2 114.5(5) . . ?
O2A3 Tb2 O2A2 142.0(5) . . ?
O4X1 Tb2 O2A2 74.2(4) . . ?
O1G1 Tb2 O2A2 83.3(4) . . ?
O1N1 Tb2 O1X1 146.6(4) . . ?
O1A5 Tb2 O1X1 75.2(5) . . ?
O2A3 Tb2 O1X1 76.4(4) . . ?
O4X1 Tb2 O1X1 66.8(4) . . ?
O1G1 Tb2 O1X1 72.7(4) . . ?
O2A2 Tb2 O1X1 136.9(4) . . ?
O1N1 Tb2 O3G1 69.3(4) . . ?
O1A5 Tb2 O3G1 144.9(4) . . ?
O2A3 Tb2 O3G1 70.6(4) . . ?
O4X1 Tb2 O3G1 134.8(4) . . ?
O1G1 Tb2 O3G1 65.4(4) . . ?
O2A2 Tb2 O3G1 74.1(4) . . ?
O1X1 Tb2 O3G1 123.3(4) . . ?
O1N1 Tb2 Cr1 33.9(3) . . ?
O1A5 Tb2 Cr1 113.6(3) . . ?
O2A3 Tb2 Cr1 77.0(3) . . ?
O4X1 Tb2 Cr1 140.1(3) . . ?
O1G1 Tb2 Cr1 99.6(3) . . ?
O2A2 Tb2 Cr1 66.3(3) . . ?
O1X1 Tb2 Cr1 151.5(3) . . ?
O3G1 Tb2 Cr1 35.9(3) . . ?
O2N2 Tb3 O2A6 74.9(5) . . ?
O2N2 Tb3 O1A8 82.6(4) . . ?
O2A6 Tb3 O1A8 148.5(4) . . ?
O2N2 Tb3 O1A9 80.4(5) . . ?
O2A6 Tb3 O1A9 78.9(5) . . ?
O1A8 Tb3 O1A9 75.7(5) . . ?
O2N2 Tb3 O1X2 138.4(4) . . ?
O2A6 Tb3 O1X2 68.9(5) . . ?
O1A8 Tb3 O1X2 138.5(5) . . ?
O1A9 Tb3 O1X2 111.3(5) . . ?
O2N2 Tb3 O2A9 132.5(4) . . ?
O2A6 Tb3 O2A9 103.9(5) . . ?
O1A8 Tb3 O2A9 75.5(5) . . ?
O1A9 Tb3 O2A9 53.7(5) . . ?
O1X2 Tb3 O2A9 77.3(4) . . ?
O2N2 Tb3 O4X2 142.4(4) . . ?
O2A6 Tb3 O4X2 133.0(4) . . ?
O1A8 Tb3 O4X2 77.6(4) . . ?
O1A9 Tb3 O4X2 124.0(5) . . ?
O1X2 Tb3 O4X2 64.5(4) . . ?
O2A9 Tb3 O4X2 72.4(5) . . ?
O2N2 Tb3 O3G2 67.8(4) . . ?
O2A6 Tb3 O3G2 77.4(4) . . ?
O1A8 Tb3 O3G2 114.2(4) . . ?
O1A9 Tb3 O3G2 144.2(5) . . ?
O1X2 Tb3 O3G2 84.5(4) . . ?
O2A9 Tb3 O3G2 159.6(4) . . ?
O4X2 Tb3 O3G2 91.7(4) . . ?
O2N2 Tb3 O2A8 74.6(4) . . ?
O2A6 Tb3 O2A8 137.8(4) . . ?
O1A8 Tb3 O2A8 51.4(4) . . ?
O1A9 Tb3 O2A8 123.3(5) . . ?
O1X2 Tb3 O2A8 121.3(4) . . ?
O2A9 Tb3 O2A8 118.2(4) . . ?
O4X2 Tb3 O2A8 68.0(4) . . ?
O3G2 Tb3 O2A8 64.3(4) . . ?
O2N2 Tb3 C1A9 105.0(7) . . ?
O2A6 Tb3 C1A9 92.8(7) . . ?
O1A8 Tb3 C1A9 71.8(6) . . ?
O1A9 Tb3 C1A9 25.8(7) . . ?
O1X2 Tb3 C1A9 96.9(6) . . ?
O2A9 Tb3 C1A9 28.1(7) . . ?
O4X2 Tb3 C1A9 98.8(7) . . ?
O3G2 Tb3 C1A9 168.9(7) . . ?
O2A8 Tb3 C1A9 123.0(6) . . ?
O2N2 Tb3 C1A8 76.8(5) . . ?
O2A6 Tb3 C1A8 151.5(5) . . ?
O1A8 Tb3 C1A8 25.9(5) . . ?
O1A9 Tb3 C1A8 99.6(5) . . ?
O1X2 Tb3 C1A8 135.2(5) . . ?
O2A9 Tb3 C1A8 97.5(5) . . ?
O4X2 Tb3 C1A8 71.5(4) . . ?
O3G2 Tb3 C1A8 89.0(5) . . ?
O2A8 Tb3 C1A8 25.6(4) . . ?
C1A9 Tb3 C1A8 97.6(6) . . ?
O2N2 Tb3 Cr2 33.6(3) . . ?
O2A6 Tb3 Cr2 66.4(3) . . ?
O1A8 Tb3 Cr2 105.2(3) . . ?
O1A9 Tb3 Cr2 109.7(4) . . ?
O1X2 Tb3 Cr2 109.9(3) . . ?
O2A9 Tb3 Cr2 163.1(4) . . ?
O4X2 Tb3 Cr2 124.5(3) . . ?
O3G2 Tb3 Cr2 35.4(3) . . ?
O2A8 Tb3 Cr2 72.0(3) . . ?
C1A9 Tb3 Cr2 135.5(7) . . ?
C1A8 Tb3 Cr2 88.0(4) . . ?
O1N2 Tb4 O2A8 81.2(4) . . ?
O1N2 Tb4 O1A0 79.3(4) . . ?
O2A8 Tb4 O1A0 88.4(4) . . ?
O1N2 Tb4 O1G2 133.2(4) . . ?
O2A8 Tb4 O1G2 95.7(4) . . ?
O1A0 Tb4 O1G2 147.5(4) . . ?
O1N2 Tb4 O2X2 125.8(4) . . ?
O2A8 Tb4 O2X2 145.0(4) . . ?
O1A0 Tb4 O2X2 77.2(4) . . ?
O1G2 Tb4 O2X2 81.3(4) . . ?
O1N2 Tb4 O2A7 72.9(4) . . ?
O2A8 Tb4 O2A7 141.6(4) . . ?
O1A0 Tb4 O2A7 113.4(4) . . ?
O1G2 Tb4 O2A7 82.5(4) . . ?
O2X2 Tb4 O2A7 72.9(4) . . ?
O1N2 Tb4 O3X2 147.9(4) . . ?
O2A8 Tb4 O3X2 78.4(4) . . ?
O1A0 Tb4 O3X2 75.7(4) . . ?
O1G2 Tb4 O3X2 73.7(4) . . ?
O2X2 Tb4 O3X2 67.2(4) . . ?
O2A7 Tb4 O3X2 135.9(4) . . ?
O1N2 Tb4 O3G2 69.7(4) . . ?
O2A8 Tb4 O3G2 69.8(4) . . ?
O1A0 Tb4 O3G2 144.1(4) . . ?
O1G2 Tb4 O3G2 65.6(4) . . ?
O2X2 Tb4 O3G2 136.1(4) . . ?
O2A7 Tb4 O3G2 74.8(4) . . ?
O3X2 Tb4 O3G2 124.2(4) . . ?
O1N2 Tb4 Cr2 34.4(3) . . ?
O2A8 Tb4 Cr2 76.7(3) . . ?
O1A0 Tb4 Cr2 113.1(3) . . ?
O1G2 Tb4 Cr2 99.2(3) . . ?
O2X2 Tb4 Cr2 138.2(3) . . ?
O2A7 Tb4 Cr2 65.8(3) . . ?
O3X2 Tb4 Cr2 153.3(3) . . ?
O3G2 Tb4 Cr2 35.8(3) . . ?
O5 Tb5 O5 75.2(4) 2_665 . ?
O5 Tb5 O5 75.2(4) 2_665 3_565 ?
O5 Tb5 O5 75.2(4) . 3_565 ?
O5 Tb5 O52 127.0(5) 2_665 . ?
O5 Tb5 O52 147.1(5) . . ?
O5 Tb5 O52 86.9(5) 3_565 . ?
O5 Tb5 O52 86.9(5) 2_665 3_565 ?
O5 Tb5 O52 127.0(5) . 3_565 ?
O5 Tb5 O52 147.1(5) 3_565 3_565 ?
O52 Tb5 O52 82.2(6) . 3_565 ?
O5 Tb5 O52 147.1(5) 2_665 2_665 ?
O5 Tb5 O52 86.9(5) . 2_665 ?
O5 Tb5 O52 127.0(5) 3_565 2_665 ?
O52 Tb5 O52 82.2(6) . 2_665 ?
O52 Tb5 O52 82.2(6) 3_565 2_665 ?
O5 Tb5 O51 138.8(4) 2_665 3_565 ?
O5 Tb5 O51 71.4(5) . 3_565 ?
O5 Tb5 O51 73.6(4) 3_565 3_565 ?
O52 Tb5 O51 77.3(5) . 3_565 ?
O52 Tb5 O51 132.8(5) 3_565 3_565 ?
O52 Tb5 O51 53.4(5) 2_665 3_565 ?
O5 Tb5 O51 71.4(5) 2_665 . ?
O5 Tb5 O51 73.6(4) . . ?
O5 Tb5 O51 138.8(4) 3_565 . ?
O52 Tb5 O51 132.8(5) . . ?
O52 Tb5 O51 53.4(5) 3_565 . ?
O52 Tb5 O51 77.3(5) 2_665 . ?
O51 Tb5 O51 119.51(8) 3_565 . ?
O5 Tb5 O51 73.6(4) 2_665 2_665 ?
O5 Tb5 O51 138.8(4) . 2_665 ?
O5 Tb5 O51 71.4(5) 3_565 2_665 ?
O52 Tb5 O51 53.4(5) . 2_665 ?
O52 Tb5 O51 77.3(5) 3_565 2_665 ?
O52 Tb5 O51 132.8(5) 2_665 2_665 ?
O51 Tb5 O51 119.51(8) 3_565 2_665 ?
O51 Tb5 O51 119.51(8) . 2_665 ?
O5 Tb5 C51 77.6(6) 2_665 . ?
O5 Tb5 C51 101.2(6) . . ?
O5 Tb5 C51 152.5(6) 3_565 . ?
O52 Tb5 C51 107.0(6) . . ?
O52 Tb5 C51 25.8(5) 3_565 . ?
O52 Tb5 C51 79.3(6) 2_665 . ?
O51 Tb5 C51 131.9(5) 3_565 . ?
O51 Tb5 C51 27.6(6) . . ?
O51 Tb5 C51 97.6(6) 2_665 . ?
O5 Tb5 C51 101.2(6) 2_665 2_665 ?
O5 Tb5 C51 152.5(6) . 2_665 ?
O5 Tb5 C51 77.6(6) 3_565 2_665 ?
O52 Tb5 C51 25.8(5) . 2_665 ?
O52 Tb5 C51 79.3(6) 3_565 2_665 ?
O52 Tb5 C51 107.0(6) 2_665 2_665 ?
O51 Tb5 C51 97.6(6) 3_565 2_665 ?
O51 Tb5 C51 131.9(5) . 2_665 ?
O51 Tb5 C51 27.6(6) 2_665 2_665 ?
C51 Tb5 C51 104.6(6) . 2_665 ?
O5 Tb5 C51 152.5(6) 2_665 3_565 ?
O5 Tb5 C51 77.6(6) . 3_565 ?
O5 Tb5 C51 101.2(6) 3_565 3_565 ?
O52 Tb5 C51 79.3(6) . 3_565 ?
O52 Tb5 C51 107.0(6) 3_565 3_565 ?
O52 Tb5 C51 25.8(5) 2_665 3_565 ?
O51 Tb5 C51 27.6(6) 3_565 3_565 ?
O51 Tb5 C51 97.6(6) . 3_565 ?
O51 Tb5 C51 131.9(5) 2_665 3_565 ?
C51 Tb5 C51 104.6(6) . 3_565 ?
C51 Tb5 C51 104.6(6) 2_665 3_565 ?
O6 Tb6 O6 74.5(4) 2_665 . ?
O6 Tb6 O6 74.5(4) 2_665 3_565 ?
O6 Tb6 O6 74.5(4) . 3_565 ?
O6 Tb6 O62 86.1(5) 2_665 . ?
O6 Tb6 O62 146.8(4) . . ?
O6 Tb6 O62 126.3(4) 3_565 . ?
O6 Tb6 O62 146.8(5) 2_665 2_665 ?
O6 Tb6 O62 126.3(4) . 2_665 ?
O6 Tb6 O62 86.1(5) 3_565 2_665 ?
O62 Tb6 O62 84.1(5) . 2_665 ?
O6 Tb6 O62 126.3(4) 2_665 3_565 ?
O6 Tb6 O62 86.1(5) . 3_565 ?
O6 Tb6 O62 146.8(5) 3_565 3_565 ?
O62 Tb6 O62 84.1(5) . 3_565 ?
O62 Tb6 O62 84.1(5) 2_665 3_565 ?
O6 Tb6 O61 71.8(4) 2_665 . ?
O6 Tb6 O61 137.7(4) . . ?
O6 Tb6 O61 72.4(4) 3_565 . ?
O62 Tb6 O61 54.0(4) . . ?
O62 Tb6 O61 76.7(4) 2_665 . ?
O62 Tb6 O61 135.0(4) 3_565 . ?
O6 Tb6 O61 137.7(4) 2_665 2_665 ?
O6 Tb6 O61 72.4(4) . 2_665 ?
O6 Tb6 O61 71.8(4) 3_565 2_665 ?
O62 Tb6 O61 135.0(4) . 2_665 ?
O62 Tb6 O61 54.0(4) 2_665 2_665 ?
O62 Tb6 O61 76.7(4) 3_565 2_665 ?
O61 Tb6 O61 119.66(5) . 2_665 ?
O6 Tb6 O61 72.4(4) 2_665 3_565 ?
O6 Tb6 O61 71.8(4) . 3_565 ?
O6 Tb6 O61 137.7(4) 3_565 3_565 ?
O62 Tb6 O61 76.7(4) . 3_565 ?
O62 Tb6 O61 135.0(4) 2_665 3_565 ?
O62 Tb6 O61 54.0(4) 3_565 3_565 ?
O61 Tb6 O61 119.66(6) . 3_565 ?
O61 Tb6 O61 119.66(5) 2_665 3_565 ?
O6 Tb6 C61 150.7(5) 2_665 2_665 ?
O6 Tb6 C61 100.0(5) . 2_665 ?
O6 Tb6 C61 76.3(5) 3_565 2_665 ?
O62 Tb6 C61 109.6(6) . 2_665 ?
O62 Tb6 C61 26.3(5) 2_665 2_665 ?
O62 Tb6 C61 80.9(5) 3_565 2_665 ?
O61 Tb6 C61 97.0(5) . 2_665 ?
O61 Tb6 C61 27.8(5) 2_665 2_665 ?
O61 Tb6 C61 134.2(5) 3_565 2_665 ?
O6 Tb6 C61 100.0(5) 2_665 3_565 ?
O6 Tb6 C61 76.3(5) . 3_565 ?
O6 Tb6 C61 150.7(5) 3_565 3_565 ?
O62 Tb6 C61 80.9(5) . 3_565 ?
O62 Tb6 C61 109.6(6) 2_665 3_565 ?
O62 Tb6 C61 26.3(5) 3_565 3_565 ?
O61 Tb6 C61 134.2(5) . 3_565 ?
O61 Tb6 C61 97.0(5) 2_665 3_565 ?
O61 Tb6 C61 27.8(5) 3_565 3_565 ?
C61 Tb6 C61 106.6(5) 2_665 3_565 ?
O6 Tb6 C61 76.3(5) 2_665 . ?
O6 Tb6 C61 150.7(5) . . ?
O6 Tb6 C61 100.0(5) 3_565 . ?
O62 Tb6 C61 26.3(5) . . ?
O62 Tb6 C61 80.9(5) 2_665 . ?
O62 Tb6 C61 109.6(6) 3_565 . ?
O61 Tb6 C61 27.8(5) . . ?
O61 Tb6 C61 134.2(5) 2_665 . ?
O61 Tb6 C61 97.0(5) 3_565 . ?
C61 Tb6 C61 106.6(4) 2_665 . ?
C61 Tb6 C61 106.6(4) 3_565 . ?
O2N1 Cr1 O1A1 93.0(6) . . ?
O2N1 Cr1 O1N1 91.7(6) . . ?
O1A1 Cr1 O1N1 174.8(6) . . ?
O2N1 Cr1 O1A2 179.8(6) . . ?
O1A1 Cr1 O1A2 86.8(6) . . ?
O1N1 Cr1 O1A2 88.4(5) . . ?
O2N1 Cr1 O3G1 86.5(5) . . ?
O1A1 Cr1 O3G1 95.3(6) . . ?
O1N1 Cr1 O3G1 87.0(5) . . ?
O1A2 Cr1 O3G1 93.7(5) . . ?
O2N1 Cr1 N1 82.9(6) . . ?
O1A1 Cr1 N1 92.1(6) . . ?
O1N1 Cr1 N1 86.4(6) . . ?
O1A2 Cr1 N1 97.0(6) . . ?
O3G1 Cr1 N1 167.3(6) . . ?
O2N1 Cr1 Tb2 95.0(4) . . ?
O1A1 Cr1 Tb2 141.0(4) . . ?
O1N1 Cr1 Tb2 40.3(3) . . ?
O1A2 Cr1 Tb2 85.2(4) . . ?
O3G1 Cr1 Tb2 47.4(4) . . ?
N1 Cr1 Tb2 126.7(5) . . ?
O2N1 Cr1 Tb1 41.3(4) . . ?
O1A1 Cr1 Tb1 86.1(5) . . ?
O1N1 Cr1 Tb1 98.8(4) . . ?
O1A2 Cr1 Tb1 138.8(4) . . ?
O3G1 Cr1 Tb1 46.8(4) . . ?
N1 Cr1 Tb1 123.8(5) . . ?
Tb2 Cr1 Tb1 75.43(7) . . ?
O2N2 Cr2 O1N2 92.5(5) . . ?
O2N2 Cr2 O3G2 86.5(5) . . ?
O1N2 Cr2 O3G2 88.1(5) . . ?
O2N2 Cr2 O1A6 90.6(6) . . ?
O1N2 Cr2 O1A6 175.6(6) . . ?
O3G2 Cr2 O1A6 95.2(5) . . ?
O2N2 Cr2 O1A7 179.9(6) . . ?
O1N2 Cr2 O1A7 87.5(5) . . ?
O3G2 Cr2 O1A7 93.6(5) . . ?
O1A6 Cr2 O1A7 89.3(6) . . ?
O2N2 Cr2 N2 81.8(6) . . ?
O1N2 Cr2 N2 85.2(6) . . ?
O3G2 Cr2 N2 166.2(6) . . ?
O1A6 Cr2 N2 92.2(7) . . ?
O1A7 Cr2 N2 98.1(6) . . ?
O2N2 Cr2 Tb4 95.6(4) . . ?
O1N2 Cr2 Tb4 40.8(4) . . ?
O3G2 Cr2 Tb4 47.9(3) . . ?
O1A6 Cr2 Tb4 141.8(4) . . ?
O1A7 Cr2 Tb4 84.5(4) . . ?
N2 Cr2 Tb4 126.0(5) . . ?
O2N2 Cr2 Tb3 41.5(4) . . ?
O1N2 Cr2 Tb3 100.2(4) . . ?
O3G2 Cr2 Tb3 46.7(3) . . ?
O1A6 Cr2 Tb3 84.3(5) . . ?
O1A7 Cr2 Tb3 138.6(4) . . ?
N2 Cr2 Tb3 122.9(5) . . ?
Tb4 Cr2 Tb3 76.15(7) . . ?
C1X1 O1X1 Tb2 120.3(12) . . ?
C1X1 O2X1 Tb1 121.1(12) 3_565 . ?
C2X1 O3X1 Tb1 124.0(11) 3_565 . ?
C2X1 O4X1 Tb2 123.9(11) . . ?
O2X1 C1X1 O1X1 130.6(17) 2_665 . ?
O2X1 C1X1 C2X1 114.3(18) 2_665 . ?
O1X1 C1X1 C2X1 115.1(18) . . ?
O3X1 C2X1 O4X1 134.4(17) 2_665 . ?
O3X1 C2X1 C1X1 113.6(16) 2_665 . ?
O4X1 C2X1 C1X1 112.0(17) . . ?
C5N1 N1 C3N1 108.7(17) . . ?
C5N1 N1 C1N1 114.0(18) . . ?
C3N1 N1 C1N1 113.4(19) . . ?
C5N1 N1 Cr1 115.7(12) . . ?
C3N1 N1 Cr1 101.7(13) . . ?
C1N1 N1 Cr1 102.8(13) . . ?
C2N1 O1N1 Cr1 108.0(13) . . ?
C2N1 O1N1 Tb2 141.5(12) . . ?
Cr1 O1N1 Tb2 105.7(5) . . ?
C4N1 O2N1 Cr1 117.6(14) . . ?
C4N1 O2N1 Tb1 135.2(15) . . ?
Cr1 O2N1 Tb1 105.3(5) . . ?
C2N1 C1N1 N1 113(2) . . ?
C1N1 C2N1 O1N1 116(2) . . ?
O2N1 C4N1 C3N1 112(2) . . ?
C4N1 C3N1 N1 113(2) . . ?
C6N1 C5N1 N1 122(2) . . ?
C7N1 C6N1 C5N1 121(3) . . ?
C6N1 C7N1 C8N1 123(3) . . ?
C1G1 O1G1 Tb2 123.2(11) . . ?
C2G1 O3G1 Cr1 122.7(11) . . ?
C2G1 O3G1 Tb1 112.7(10) . . ?
Cr1 O3G1 Tb1 97.5(5) . . ?
C2G1 O3G1 Tb2 113.5(10) . . ?
Cr1 O3G1 Tb2 96.7(5) . . ?
Tb1 O3G1 Tb2 111.9(5) . . ?
O2G1 C1G1 O1G1 123.7(16) . . ?
O2G1 C1G1 C2G1 122.3(16) . . ?
O1G1 C1G1 C2G1 114.0(16) . . ?
O3G1 C2G1 C1G1 110.0(14) . . ?
C1A1 O1A1 Cr1 125.0(12) . . ?
C1A1 O2A1 Tb1 137.6(15) . . ?
O2A1 C1A1 O1A1 124.9(19) . . ?
O2A1 C1A1 C2A1 119(2) . . ?
O1A1 C1A1 C2A1 116.3(19) . . ?
C1A2 O1A2 Cr1 127.5(11) . . ?
C1A2 O2A2 Tb2 134.2(12) . . ?
O2A2 C1A2 O1A2 123.8(17) . . ?
O2A2 C1A2 C2A2 118.0(19) . . ?
O1A2 C1A2 C2A2 117.7(15) . . ?
C3A2 C2A2 C1A2 105(3) . . ?
C2A2 C3A2 S2A 141(5) . . ?
C2A2 C3A2 S2 113(4) . . ?
S2A C3A2 S2 29(3) . . ?
S2A S2 C5A2 63(6) . . ?
S2A S2 C3A2 51(5) . . ?
C5A2 S2 C3A2 111(4) . . ?
S2 S2A C5A2 82(7) . . ?
S2 S2A C3A2 101(7) . . ?
C5A2 S2A C3A2 163(6) . . ?
S2A C5A2 S2 35(3) . . ?
C1A3 O1A3 Tb1 101.0(10) . . ?
C1A3 O2A3 Tb2 152.0(13) . . ?
C1A3 O2A3 Tb1 89.5(11) . . ?
Tb2 O2A3 Tb1 111.0(5) . . ?
O1A3 C1A3 O2A3 118.6(16) . . ?
O1A3 C1A3 C2A3 120.0(17) . . ?
O2A3 C1A3 C2A3 121.1(19) . . ?
O1A3 C1A3 Tb1 55.3(9) . . ?
O2A3 C1A3 Tb1 64.1(9) . . ?
C2A3 C1A3 Tb1 174.1(14) . . ?
C1A4 O1A4 Tb1 87.5(14) . . ?
C1A4 O2A4 Tb1 89.2(14) . . ?
O1A4 C1A4 O2A4 127(2) . . ?
O1A4 C1A4 C2A4 121(2) . . ?
O2A4 C1A4 C2A4 111(3) . . ?
O1A4 C1A4 Tb1 65.3(12) . . ?
O2A4 C1A4 Tb1 63.3(12) . . ?
C2A4 C1A4 Tb1 157.1(17) . . ?
C1A5 O1A5 Tb2 136.8(13) . . ?
O2A5 C1A5 O1A5 119(2) . . ?
O2A5 C1A5 C2A5 122(3) . . ?
O1A5 C1A5 C2A5 118(2) . . ?
O2A5 C1A5 C3A5 116(4) . . ?
O1A5 C1A5 C3A5 117(3) . . ?
C2A5 C1A5 C3A5 36(3) . . ?
C3A5 C2A5 C1A5 76(5) . . ?
C2A5 C3A5 C1A5 68(5) . . ?
C1X2 O1X2 Tb3 122.0(11) . . ?
C1X2 O2X2 Tb4 118.4(12) 3_565 . ?
C2X2 O3X2 Tb4 117.4(11) . . ?
C2X2 O4X2 Tb3 121.4(11) 2_665 . ?
O2X2 C1X2 O1X2 126.9(16) 2_665 . ?
O2X2 C1X2 C2X2 118.2(19) 2_665 2_665 ?
O1X2 C1X2 C2X2 114.9(17) . 2_665 ?
O3X2 C2X2 O4X2 126.5(16) . 3_565 ?
O3X2 C2X2 C1X2 117.6(17) . 3_565 ?
O4X2 C2X2 C1X2 115.9(17) 3_565 3_565 ?
C3N2 N2 C1N2 115.3(19) . . ?
C3N2 N2 C5N2 112.5(17) . . ?
C1N2 N2 C5N2 109.5(18) . . ?
C3N2 N2 Cr2 102.4(13) . . ?
C1N2 N2 Cr2 105.1(11) . . ?
C5N2 N2 Cr2 111.6(12) . . ?
C2N2 O1N2 Cr2 106.2(13) . . ?
C2N2 O1N2 Tb4 136.3(11) . . ?
Cr2 O1N2 Tb4 104.8(5) . . ?
C4N2 O2N2 Cr2 117.9(13) . . ?
C4N2 O2N2 Tb3 134.8(13) . . ?
Cr2 O2N2 Tb3 105.0(5) . . ?
N2 C1N2 C2N2 109.3(18) . . ?
O1N2 C2N2 C1N2 110.1(15) . . ?
N2 C3N2 C4N2 114.9(18) . . ?
O2N2 C4N2 C3N2 105.8(17) . . ?
C6N2 C5N2 N2 113.4(17) . . ?
C7N2 C6N2 C5N2 105(2) . . ?
C8N2 C7N2 C6N2 116(3) . . ?
C1G2 O1G2 Tb4 123.3(10) . . ?
C2G2 O3G2 Cr2 122.2(10) . . ?
C2G2 O3G2 Tb3 113.5(9) . . ?
Cr2 O3G2 Tb3 97.9(5) . . ?
C2G2 O3G2 Tb4 112.5(10) . . ?
Cr2 O3G2 Tb4 96.3(4) . . ?
Tb3 O3G2 Tb4 112.7(4) . . ?
O1G2 C1G2 O2G2 125.4(16) . . ?
O1G2 C1G2 C2G2 116.5(15) . . ?
O2G2 C1G2 C2G2 118.1(16) . . ?
O3G2 C2G2 C1G2 108.6(14) . . ?
C1A6 O1A6 Cr2 128.3(13) . . ?
C1A6 O2A6 Tb3 134.9(13) . . ?
O2A6 C1A6 O1A6 125.6(18) . . ?
O2A6 C1A6 C2A6 121.1(19) . . ?
O1A6 C1A6 C2A6 113.2(19) . . ?
C1A7 O1A7 Cr2 128.9(11) . . ?
C1A7 O2A7 Tb4 135.9(12) . . ?
O1A7 C1A7 O2A7 122.8(18) . . ?
O1A7 C1A7 C2A7 118.6(17) . . ?
O2A7 C1A7 C2A7 119(2) . . ?
C1A8 O1A8 Tb3 102.2(10) . . ?
C1A8 O2A8 Tb4 154.4(14) . . ?
C1A8 O2A8 Tb3 90.8(12) . . ?
Tb4 O2A8 Tb3 112.7(5) . . ?
O2A8 C1A8 O1A8 115.6(17) . . ?
O2A8 C1A8 C2A8 122.5(18) . . ?
O1A8 C1A8 C2A8 121.7(17) . . ?
O2A8 C1A8 Tb3 63.7(10) . . ?
O1A8 C1A8 Tb3 52.0(9) . . ?
C2A8 C1A8 Tb3 173.1(15) . . ?
C1A9 O1A9 Tb3 94.9(14) . . ?
C1A9 O2A9 Tb3 91.0(13) . . ?
O1A9 C1A9 O2A9 119.8(19) . . ?
O1A9 C1A9 C2A9 127(2) . . ?
O2A9 C1A9 C2A9 113(2) . . ?
O1A9 C1A9 Tb3 59.3(11) . . ?
O2A9 C1A9 Tb3 60.9(10) . . ?
C2A9 C1A9 Tb3 167.3(19) . . ?
C1A0 O1A0 Tb4 138.8(13) . . ?
O1A0 C1A0 O2A0 127(2) . . ?
O1A0 C1A0 C2A0 118.3(18) . . ?
O2A0 C1A0 C2A0 114(2) . . ?
C3A0 C2A0 C1A0 114(3) . . ?
C2A0 C3A0 S10 132(5) . . ?
C3A0 S10 C4A0 106(4) . . ?
C51 O51 Tb5 92.0(14) . . ?
C51 O52 Tb5 97.4(12) 2_665 . ?
O52 C51 O51 117(2) 3_565 . ?
O52 C51 C52 128(2) 3_565 . ?
O51 C51 C52 114(2) . . ?
O52 C51 Tb5 56.8(11) 3_565 . ?
O51 C51 Tb5 60.4(11) . . ?
C52 C51 Tb5 171.4(19) . . ?
C61 O61 Tb6 88.9(12) . . ?
C61 O62 Tb6 93.8(12) . . ?
O62 C61 O61 123(2) . . ?
O62 C61 C62 118.3(18) . . ?
O61 C61 C62 118.8(19) . . ?
O62 C61 Tb6 59.9(11) . . ?
O61 C61 Tb6 63.3(10) . . ?
C62 C61 Tb6 172.9(15) . . ?
C63 C62 C63A 35(3) . . ?
C63 C62 C61 112(3) . . ?
C63A C62 C61 118(3) . . ?
C63A C63 C62 75(6) . . ?
C63A C63 S6A 62(6) . . ?
C62 C63 S6A 106(3) . . ?
C63A C63 S6 81(7) . . ?
C62 C63 S6 108(3) . . ?
S6A C63 S6 19.6(13) . . ?
C63A C63 S6B 39(6) . . ?
C62 C63 S6B 102(4) . . ?
S6A C63 S6B 25(2) . . ?
S6 C63 S6B 45(2) . . ?
C63 C63A C62 69(6) . . ?
C63 C63A S6A 91(7) . . ?
C62 C63A S6A 116(4) . . ?
C63 C63A S6B 123(8) . . ?
C62 C63A S6B 135(5) . . ?
S6A C63A S6B 34(3) . . ?
C63 C63A S6 75(6) . . ?
C62 C63A S6 104(4) . . ?
S6A C63A S6 17.7(16) . . ?
S6B C63A S6 52(3) . . ?
S6A S6 S6B 6(5) . . ?
S6A S6 C63 73(5) . . ?
S6B S6 C63 79(3) . . ?
S6A S6 C63A 50(4) . . ?
S6B S6 C63A 56(3) . . ?
C63 S6 C63A 24(2) . . ?
S6A S6 C64 69(5) . . ?
S6B S6 C64 65(4) . . ?
C63 S6 C64 98(3) . . ?
C63A S6 C64 93(3) . . ?
S6 S6A S6B 170(8) . . ?
S6 S6A C63A 112(5) . . ?
S6B S6A C63A 77(5) . . ?
S6 S6A C63 87(5) . . ?
S6B S6A C63 102(5) . . ?
C63A S6A C63 26(2) . . ?
S6 S6A C64 92(5) . . ?
S6B S6A C64 82(5) . . ?
C63A S6A C64 111(4) . . ?
C63 S6A C64 105(4) . . ?
S6A S6B S6 4(3) . . ?
S6A S6B C63A 68(5) . . ?
S6 S6B C63A 72(4) . . ?
S6A S6B C64 69(5) . . ?
S6 S6B C64 67(4) . . ?
C63A S6B C64 102(5) . . ?
S6A S6B C63 53(4) . . ?
S6 S6B C63 56(3) . . ?
C63A S6B C63 18(3) . . ?
C64 S6B C63 88(4) . . ?
S6A C64 S6B 29(2) . . ?
S6A C64 S6 18.7(15) . . ?
S6B C64 S6 48(3) . . ?
N1S C1S C2S 172(4) . . ?

_diffrn_measured_fraction_theta_max 0.995
_diffrn_reflns_theta_full        24.40
_diffrn_measured_fraction_theta_full 0.995
_refine_diff_density_max         2.135
_refine_diff_density_min         -0.811
_refine_diff_density_rms         0.169
####################################################################### 
# 
# 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_s2022a
_database_code_depnum_ccdc_archive 'CCDC 1487795'
_audit_update_record             
;
2016-06-27 deposited with the CCDC.
2016-09-12 downloaded from the CCDC.
;

_audit_creation_method           SHELXL-97
_chemical_name_systematic        
; 
 ? 
;
_chemical_name_common            ?
_chemical_melting_point          ?
_chemical_formula_moiety         ?
_chemical_formula_sum            'C147 H283.50 Cr6 N7.50 O145.50 Tb14'
_chemical_formula_weight         7021.19

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'
S S 0.1246 0.1234 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Cr Cr 0.3209 0.6236 '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           Trigonal
_symmetry_space_group_name_H-M   P31C

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

_cell_length_a                   23.7804(3)
_cell_length_b                   23.7804(3)
_cell_length_c                   31.8903(3)
_cell_angle_alpha                90.00
_cell_angle_beta                 90.00
_cell_angle_gamma                120.00
_cell_volume                     15618.0(3)
_cell_formula_units_Z            2
_cell_measurement_temperature    120.0(1)
_cell_measurement_reflns_used    27424
_cell_measurement_theta_min      3.0320
_cell_measurement_theta_max      27.8010

_exptl_crystal_description       block
_exptl_crystal_colour            purple
_exptl_crystal_size_max          0.48
_exptl_crystal_size_mid          0.35
_exptl_crystal_size_min          0.22
_exptl_crystal_density_meas      ?
_exptl_crystal_density_diffrn    1.493
_exptl_crystal_density_method    'not measured'
_exptl_crystal_F_000             6872
_exptl_absorpt_coefficient_mu    3.404
_exptl_absorpt_correction_type   analytical
_exptl_absorpt_correction_T_min  0.2535
_exptl_absorpt_correction_T_max  0.5223
_exptl_absorpt_process_details   
;
CrysAlisPro, Agilent Technologies,
Version 1.171.36.28 (release 01-02-2013 CrysAlis171 .NET)
(compiled Feb  1 2013,16:14:44)
Analytical numeric absorption correction using a multifaceted crystal
			model based on expressions derived by R.C. Clark & J.S. Reid.
(Clark, R. C. & Reid, J. S. (1995). Acta Cryst. A51, 887-897)
;
_exptl_special_details           
; 
 ? 
;

_diffrn_ambient_temperature      120.0(1)
_diffrn_radiation_wavelength     0.71073
_diffrn_radiation_type           MoK\a
_diffrn_radiation_source         'SuperNova (Mo) X-ray Source'
_diffrn_radiation_monochromator  mirror
_diffrn_measurement_device_type  'SuperNova, Dual, Cu at zero, Atlas'
_diffrn_measurement_method       'ω scans'
_diffrn_detector_area_resol_mean 10.4623
_diffrn_reflns_number            105211
_diffrn_reflns_av_R_equivalents  0.0784
_diffrn_reflns_av_sigmaI/netI    0.0697
_diffrn_reflns_limit_h_min       -28
_diffrn_reflns_limit_h_max       29
_diffrn_reflns_limit_k_min       -29
_diffrn_reflns_limit_k_max       29
_diffrn_reflns_limit_l_min       -39
_diffrn_reflns_limit_l_max       39
_diffrn_reflns_theta_min         4.13
_diffrn_reflns_theta_max         26.37
_reflns_number_total             21210
_reflns_number_gt                15192
_reflns_threshold_expression     >2sigma(I)

_computing_data_collection       
;
CrysAlisPro, Agilent Technologies,
Version 1.171.36.28 (release 01-02-2013 CrysAlis171 .NET)
(compiled Feb  1 2013,16:14:44)
;
_computing_cell_refinement       
;
CrysAlisPro, Agilent Technologies,
Version 1.171.36.28 (release 01-02-2013 CrysAlis171 .NET)
(compiled Feb  1 2013,16:14:44)
;
_computing_data_reduction        
;
CrysAlisPro, Agilent Technologies,
Version 1.171.36.28 (release 01-02-2013 CrysAlis171 .NET)
(compiled Feb  1 2013,16:14:44)
;
_computing_structure_solution    'SHELXS-97 (Sheldrick, 2008)'
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 2008)'


_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)+(0.0750P)²+133.0000P] where P=(Fo²+2Fc²)/3'
_atom_sites_solution_primary     direct
_atom_sites_solution_secondary   difmap
_atom_sites_solution_hydrogens   geom
_refine_ls_hydrogen_treatment    constr
_refine_ls_extinction_method     none
_refine_ls_extinction_coef       ?
_refine_ls_abs_structure_details 'Flack H D (1983), Acta Cryst. A39, 876-881'
_refine_ls_abs_structure_Flack   0.218(16)
_refine_ls_number_reflns         21210
_refine_ls_number_parameters     989
_refine_ls_number_restraints     42
_refine_ls_R_factor_all          0.1070
_refine_ls_R_factor_gt           0.0640
_refine_ls_wR_factor_ref         0.1819
_refine_ls_wR_factor_gt          0.1507
_refine_ls_goodness_of_fit_ref   1.071
_refine_ls_restrained_S_all      1.071
_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
Tb1 Tb 0.52537(3) 0.86005(4) 0.322788(19) 0.04447(18) Uani 1 1 d . . .
Tb2 Tb 0.59388(4) 0.73709(4) 0.29227(2) 0.0530(2) Uani 1 1 d . . .
Tb3 Tb 0.87723(4) 1.38154(4) 0.05884(2) 0.04243(17) Uani 1 1 d . . .
Tb4 Tb 0.79208(4) 1.18622(4) 0.08951(2) 0.0492(2) Uani 1 1 d . . .
Tb5 Tb 0.6667 0.3333 0.20392(3) 0.0472(3) Uani 1 3 d S . .
Tb6 Tb 0.3333 0.6667 0.17673(3) 0.0396(3) Uani 1 3 d S . .
Cr1 Cr 0.66980(12) 0.87715(15) 0.34685(8) 0.0593(8) Uani 1 1 d . . .
Cr2 Cr 0.92591(13) 1.27630(14) 0.03131(7) 0.0499(6) Uani 1 1 d . . .
O1X1 O 0.4235(5) 0.8079(5) 0.2843(3) 0.042(2) Uani 1 1 d U . .
O2X1 O 0.4766(5) 0.6737(5) 0.2776(3) 0.045(2) Uani 1 1 d . . .
O3X1 O 0.5325(5) 0.6436(6) 0.3379(3) 0.049(3) Uani 1 1 d . . .
O4X1 O 0.4484(5) 0.8851(5) 0.3509(3) 0.047(2) Uani 1 1 d . . .
C1X1 C 0.3818(8) 0.8223(7) 0.2935(4) 0.045(3) Uani 1 1 d U . .
C2X1 C 0.4755(8) 0.6057(8) 0.3318(4) 0.045(4) Uani 1 1 d . . .
N1 N 0.7615(7) 0.9541(8) 0.3293(5) 0.077(5) Uani 1 1 d U . .
O1N1 O 0.6339(5) 0.9239(6) 0.3184(3) 0.058(3) Uani 1 1 d . . .
O2N1 O 0.6784(5) 0.8413(7) 0.2941(3) 0.069(4) Uani 1 1 d . . .
C1N1 C 0.7468(11) 1.0002(12) 0.3068(8) 0.109(9) Uani 1 1 d U . .
H1NA H 0.7508 1.0341 0.3266 0.131 Uiso 1 1 calc R . .
H1NB H 0.7792 1.0220 0.2842 0.131 Uiso 1 1 calc R . .
C2N1 C 0.6822(11) 0.9686(13) 0.2885(8) 0.111(9) Uani 1 1 d U . .
H2NA H 0.6710 1.0018 0.2799 0.134 Uiso 1 1 calc R . .
H2NB H 0.6816 0.9442 0.2632 0.134 Uiso 1 1 calc R . .
C3N1 C 0.7875(10) 0.9219(13) 0.3007(6) 0.092(7) Uani 1 1 d U . .
H3NA H 0.8222 0.9549 0.2827 0.110 Uiso 1 1 calc R . .
H3NB H 0.8062 0.9004 0.3176 0.110 Uiso 1 1 calc R . .
C4N1 C 0.7384(9) 0.8772(10) 0.2764(6) 0.079(6) Uani 1 1 d U . .
H4N1 H 0.7339 0.9002 0.2519 0.095 Uiso 1 1 calc R . .
H4N2 H 0.7518 0.8467 0.2656 0.095 Uiso 1 1 calc R . .
C5N1 C 0.8067(9) 0.9844(10) 0.3674(7) 0.075(6) Uani 1 1 d . . .
H5NA H 0.7874 1.0040 0.3858 0.090 Uiso 1 1 calc R . .
H5NB H 0.8070 0.9489 0.3834 0.090 Uiso 1 1 calc R . .
C6N1 C 0.8717(9) 1.0322(12) 0.3593(10) 0.111(10) Uani 1 1 d . . .
H6NA H 0.8718 1.0688 0.3445 0.133 Uiso 1 1 calc R . .
H6NB H 0.8907 1.0134 0.3401 0.133 Uiso 1 1 calc R . .
C7N1 C 0.9120(13) 1.0568(13) 0.3950(12) 0.130(11) Uani 1 1 d U . .
H7NA H 0.9054 1.0199 0.4128 0.156 Uiso 1 1 calc R . .
H7NB H 0.8985 1.0834 0.4114 0.156 Uiso 1 1 calc R . .
C8N1 C 0.9873(13) 1.0998(15) 0.3844(13) 0.152(14) Uani 1 1 d U . .
H8NA H 1.0120 1.1158 0.4105 0.228 Uiso 1 1 calc R . .
H8NB H 0.9944 1.1367 0.3669 0.228 Uiso 1 1 calc R . .
H8NC H 1.0016 1.0734 0.3692 0.228 Uiso 1 1 calc R . .
O1G1 O 0.4562(5) 0.7590(5) 0.3583(3) 0.043(2) Uani 1 1 d . . .
O2G1 O 0.4455(5) 0.6797(5) 0.3989(3) 0.047(2) Uani 1 1 d . . .
O3G1 O 0.5811(5) 0.8016(5) 0.3477(3) 0.049(3) Uani 1 1 d . . .
C1G1 C 0.4792(7) 0.7305(7) 0.3806(4) 0.040(3) Uani 1 1 d . . .
C2G1 C 0.5519(7) 0.7642(7) 0.3849(4) 0.043(3) Uani 1 1 d . . .
H2GA H 0.5659 0.7930 0.4097 0.051 Uiso 1 1 calc R . .
H2GB H 0.5658 0.7316 0.3887 0.051 Uiso 1 1 calc R . .
O1A1 O 0.5596(5) 0.8982(5) 0.3921(3) 0.053(3) Uani 1 1 d . . .
O2A1 O 0.6606(6) 0.9124(7) 0.4001(3) 0.062(3) Uani 1 1 d . . .
C1A1 C 0.6168(11) 0.9209(8) 0.4115(5) 0.069(6) Uani 1 1 d . . .
C2A1 C 0.6206(10) 0.9571(10) 0.4527(5) 0.074(6) Uani 1 1 d . . .
H2AA H 0.5806 0.9589 0.4562 0.111 Uiso 1 1 calc R . .
H2AB H 0.6579 1.0013 0.4514 0.111 Uiso 1 1 calc R . .
H2AC H 0.6259 0.9339 0.4764 0.111 Uiso 1 1 calc R . .
O1A2 O 0.7091(5) 0.8343(7) 0.3790(4) 0.066(3) Uani 1 1 d . . .
O2A2 O 0.6607(6) 0.7371(7) 0.3468(3) 0.066(3) Uani 1 1 d . . .
C1A2 C 0.7008(9) 0.7776(11) 0.3725(5) 0.060(5) Uani 1 1 d . . .
C2A2 C 0.7394(9) 0.7571(12) 0.4002(6) 0.083(6) Uani 1 1 d . . .
H2AD H 0.7723 0.7949 0.4158 0.124 Uiso 1 1 calc R . .
H2AE H 0.7608 0.7394 0.3827 0.124 Uiso 1 1 calc R . .
H2AF H 0.7100 0.7238 0.4200 0.124 Uiso 1 1 calc R . .
O1A3 O 0.5457(5) 0.8108(5) 0.2667(3) 0.047(3) Uani 1 1 d . . .
O2A3 O 0.5896(5) 0.7740(6) 0.2211(3) 0.055(3) Uani 1 1 d . . .
C1A3 C 0.5658(8) 0.8101(9) 0.2289(4) 0.053(4) Uani 1 1 d . . .
C2A3 C 0.5594(9) 0.8498(10) 0.1961(5) 0.067(5) Uani 1 1 d . . .
H2AG H 0.5133 0.8338 0.1907 0.101 Uiso 1 1 calc R . .
H2AH H 0.5802 0.8468 0.1703 0.101 Uiso 1 1 calc R . .
H2AI H 0.5803 0.8951 0.2053 0.101 Uiso 1 1 calc R . .
O1A4 O 0.5751(7) 0.6459(7) 0.2458(3) 0.071(4) Uani 1 1 d . . .
O2A4 O 0.6760(6) 0.7287(8) 0.2549(4) 0.077(4) Uani 1 1 d . . .
C1A4 C 0.6352(12) 0.6819(11) 0.2346(5) 0.065(5) Uani 1 1 d . . .
C2A4 C 0.6505(15) 0.6653(14) 0.1911(7) 0.117(10) Uani 1 1 d . . .
H2AJ H 0.6645 0.6331 0.1940 0.176 Uiso 1 1 calc R . .
H2AK H 0.6853 0.7047 0.1780 0.176 Uiso 1 1 calc R . .
H2AL H 0.6115 0.6475 0.1735 0.176 Uiso 1 1 calc R . .
O1A5 O 0.5326(6) 0.9407(5) 0.2771(3) 0.055(3) Uani 1 1 d . . .
O2A5 O 0.5557(7) 1.0341(7) 0.2506(4) 0.083(4) Uani 1 1 d . . .
C1A5 C 0.5528(8) 0.9993(8) 0.2811(5) 0.059(5) Uani 1 1 d . . .
C2A5 C 0.5702(11) 1.0291(9) 0.3235(6) 0.088(7) Uani 1 1 d . . .
H2AM H 0.5848 1.0755 0.3214 0.132 Uiso 1 1 calc R . .
H2AN H 0.6052 1.0234 0.3351 0.132 Uiso 1 1 calc R . .
H2AO H 0.5321 1.0079 0.3418 0.132 Uiso 1 1 calc R . .
O1X2 O 0.6964(5) 1.1348(5) 0.0439(3) 0.047(3) Uani 1 1 d . . .
O2X2 O 0.8832(5) 1.4786(5) 0.0316(3) 0.045(2) Uani 1 1 d . . .
O3X2 O 0.8106(6) 1.4156(5) 0.0978(3) 0.050(3) Uani 1 1 d . . .
O4X2 O 0.7098(5) 1.2159(5) 0.1045(3) 0.050(3) Uani 1 1 d . . .
C1X2 C 0.6491(9) 1.1435(8) 0.0513(4) 0.048(4) Uani 1 1 d . . .
C2X2 C 0.8132(7) 1.4685(8) 0.0881(4) 0.042(3) Uani 1 1 d . . .
O1G2 O 0.7755(5) 1.3313(5) 0.0255(3) 0.036(2) Uani 1 1 d . . .
O2G2 O 0.6999(5) 1.2531(5) -0.0148(3) 0.050(3) Uani 1 1 d . . .
O3G2 O 0.8385(5) 1.2682(5) 0.0335(3) 0.046(2) Uani 1 1 d . . .
C1G2 C 0.7546(7) 1.2819(8) 0.0019(4) 0.043(4) Uani 1 1 d . . .
C2G2 C 0.7971(7) 1.2538(7) -0.0033(4) 0.040(3) Uani 1 1 d . . .
H2GC H 0.7704 1.2061 -0.0071 0.048 Uiso 1 1 calc R . .
H2GD H 0.8244 1.2722 -0.0287 0.048 Uiso 1 1 calc R . .
N2 N 1.0170(8) 1.2864(7) 0.0447(4) 0.062(4) Uani 1 1 d D . .
O1N2 O 0.9598(5) 1.3596(5) 0.0596(3) 0.049(3) Uani 1 1 d . . .
O2N2 O 0.9019(5) 1.2278(6) 0.0841(3) 0.054(3) Uani 1 1 d . . .
C1N2 C 1.0521(9) 1.3445(11) 0.0686(5) 0.073(6) Uani 1 1 d . . .
H1NC H 1.0847 1.3791 0.0503 0.088 Uiso 1 1 calc R . .
H1ND H 1.0757 1.3368 0.0915 0.088 Uiso 1 1 calc R . .
C2N2 C 1.0085(11) 1.3669(13) 0.0872(7) 0.093(8) Uani 1 1 d . . .
H2NC H 0.9882 1.3418 0.1130 0.112 Uiso 1 1 calc R . .
H2ND H 1.0350 1.4132 0.0952 0.112 Uiso 1 1 calc R . .
C3N2 C 1.0008(9) 1.2315(8) 0.0692(6) 0.080(6) Uani 1 1 d D . .
H3NC H 1.0403 1.2384 0.0840 0.096 Uiso 1 1 calc R . .
H3ND H 0.9869 1.1938 0.0502 0.096 Uiso 1 1 calc R . .
C4N2 C 0.9470(9) 1.2143(11) 0.1019(6) 0.070(5) Uani 1 1 d . . .
H4NA H 0.9262 1.1677 0.1094 0.084 Uiso 1 1 calc R . .
H4NB H 0.9654 1.2404 0.1276 0.084 Uiso 1 1 calc R . .
C5N2 C 1.0530(9) 1.2872(10) 0.0055(6) 0.069(5) Uani 1 1 d . . .
H5NC H 1.0263 1.2457 -0.0096 0.083 Uiso 1 1 calc R . .
H5ND H 1.0567 1.3225 -0.0129 0.083 Uiso 1 1 calc R . .
C6N2 C 1.1199(10) 1.2964(13) 0.0116(8) 0.097(8) Uani 1 1 d . . .
H6NC H 1.1480 1.3383 0.0260 0.117 Uiso 1 1 calc R . .
H6ND H 1.1173 1.2611 0.0294 0.117 Uiso 1 1 calc R . .
C7N2 C 1.1488(14) 1.296(2) -0.0301(10) 0.170(18) Uani 1 1 d . . .
H7NC H 1.1156 1.2582 -0.0460 0.204 Uiso 1 1 calc R . .
H7ND H 1.1569 1.3354 -0.0454 0.204 Uiso 1 1 calc R . .
C8N2 C 1.2085(16) 1.293(2) -0.0310(14) 0.20(2) Uani 1 1 d . . .
H8ND H 1.2214 1.2930 -0.0602 0.297 Uiso 1 1 calc R . .
H8NE H 1.2015 1.2534 -0.0170 0.297 Uiso 1 1 calc R . .
H8NF H 1.2430 1.3311 -0.0165 0.297 Uiso 1 1 calc R . .
O1A6 O 0.9160(5) 1.3954(5) -0.0114(3) 0.045(2) Uani 1 1 d . . .
O2A6 O 0.9508(5) 1.3260(6) -0.0231(3) 0.051(3) Uani 1 1 d . . .
C1A6 C 0.9466(9) 1.3751(8) -0.0321(5) 0.054(4) Uani 1 1 d . . .
C2A6 C 0.9819(9) 1.4109(9) -0.0718(5) 0.062(5) Uani 1 1 d . . .
H2AP H 1.0039 1.3894 -0.0842 0.092 Uiso 1 1 calc R . .
H2AQ H 1.0140 1.4559 -0.0648 0.092 Uiso 1 1 calc R . .
H2AR H 0.9505 1.4104 -0.0919 0.092 Uiso 1 1 calc R . .
O1A7 O 0.8078(6) 1.1272(6) 0.0343(3) 0.054(3) Uani 1 1 d . . .
O2A7 O 0.8978(6) 1.1956(6) -0.0004(3) 0.050(3) Uani 1 1 d . . .
C1A7 C 0.8522(9) 1.1415(8) 0.0057(5) 0.051(4) Uani 1 1 d . . .
C2A7 C 0.8469(11) 1.0881(9) -0.0194(5) 0.070(5) Uani 1 1 d . . .
H2AS H 0.8093 1.0474 -0.0100 0.104 Uiso 1 1 calc R . .
H2AT H 0.8864 1.0853 -0.0161 0.104 Uiso 1 1 calc R . .
H2AU H 0.8415 1.0955 -0.0490 0.104 Uiso 1 1 calc R . .
O1A8 O 0.8197(6) 1.2303(6) 0.1597(3) 0.058(3) Uani 1 1 d . . .
O2A8 O 0.8433(6) 1.3094(6) 0.1145(3) 0.060(3) Uani 1 1 d . . .
C1A8 C 0.8427(8) 1.2916(9) 0.1534(5) 0.053(4) Uani 1 1 d . . .
C2A8 C 0.8653(9) 1.3403(9) 0.1886(5) 0.064(5) Uani 1 1 d . . .
H2AY H 0.8815 1.3839 0.1770 0.095 Uiso 1 1 calc R . .
H2AZ H 0.9001 1.3389 0.2041 0.095 Uiso 1 1 calc R . .
H2BA H 0.8289 1.3298 0.2076 0.095 Uiso 1 1 calc R . .
O1A9 O 0.8032(7) 1.1037(7) 0.1287(4) 0.068(3) Uani 1 1 d . . .
O2A9 O 0.7095(6) 1.1006(6) 0.1350(3) 0.062(3) Uani 1 1 d . . .
C1A9 C 0.7516(11) 1.0834(9) 0.1468(5) 0.063(5) Uani 1 1 d . . .
C2A9 C 0.7284(16) 1.0365(13) 0.1837(7) 0.115(10) Uani 1 1 d . . .
H2AV H 0.6967 0.9929 0.1739 0.173 Uiso 1 1 calc R . .
H2AW H 0.7080 1.0508 0.2046 0.173 Uiso 1 1 calc R . .
H2AX H 0.7655 1.0357 0.1964 0.173 Uiso 1 1 calc R . .
O1A0 O 0.9490(5) 1.4622(5) 0.1038(3) 0.049(3) Uani 1 1 d . . .
O2A0 O 1.0402(6) 1.5468(6) 0.1284(4) 0.073(4) Uani 1 1 d . . .
C1A0 C 1.0051(9) 1.5096(10) 0.0991(5) 0.059(5) Uani 1 1 d . . .
C2A0 C 1.0351(9) 1.5252(10) 0.0556(5) 0.068(5) Uani 1 1 d . . .
H2BB H 1.0035 1.4953 0.0352 0.102 Uiso 1 1 calc R . .
H2BC H 1.0737 1.5206 0.0553 0.102 Uiso 1 1 calc R . .
H2BD H 1.0473 1.5699 0.0482 0.102 Uiso 1 1 calc R . .
O5 O 0.6793(5) 0.4088(5) 0.1508(3) 0.047(2) Uani 1 1 d . . .
O51 O 0.6513(5) 0.2220(5) 0.2085(3) 0.053(3) Uani 1 1 d . . .
O52 O 0.7193(7) 0.2973(7) 0.2531(3) 0.070(3) Uani 1 1 d . . .
C51 C 0.6930(9) 0.2405(10) 0.2386(5) 0.068(6) Uani 1 1 d . . .
C52 C 0.7132(12) 0.1928(11) 0.2537(6) 0.082(6) Uani 1 1 d . . .
H52A H 0.6991 0.1806 0.2828 0.123 Uiso 1 1 calc R . .
H52B H 0.7606 0.2130 0.2522 0.123 Uiso 1 1 calc R . .
H52C H 0.6931 0.1539 0.2360 0.123 Uiso 1 1 calc R . .
O6 O 0.2810(6) 0.6957(6) 0.2287(3) 0.054(3) Uani 1 1 d . . .
O61 O 0.4116(6) 0.6277(6) 0.1713(3) 0.057(3) Uani 1 1 d . . .
O62 O 0.2804(7) 0.5777(6) 0.1290(3) 0.066(3) Uani 1 1 d . . .
C61 C 0.4438(9) 0.6680(10) 0.1431(5) 0.061(5) Uani 1 1 d . . .
C62 C 0.5037(11) 0.6764(12) 0.1282(6) 0.086(7) Uani 1 1 d . . .
H62A H 0.4963 0.6517 0.1022 0.130 Uiso 1 1 calc R . .
H62B H 0.5225 0.6607 0.1494 0.130 Uiso 1 1 calc R . .
H62C H 0.5336 0.7226 0.1228 0.130 Uiso 1 1 calc R . .
O1W O 0.3333 0.6667 0.3276(5) 0.048(4) Uani 1 3 d S . .
O2W O 0.4944(7) 1.3959(7) 0.1745(4) 0.075(4) Uani 1 1 d . . .
O3W O 0.5969(6) 1.1525(6) -0.0588(4) 0.062(3) Uani 1 1 d . . .
O4W O 0.6667 1.3333 -0.0617(8) 0.073(6) Uani 1 3 d S . .
O5W O 0.6667 1.3333 0.0573(6) 0.064(6) Uani 1 3 d S . .
O6W O 0.4613(7) 0.5515(8) 0.2067(4) 0.056(4) Uani 0.75 1 d P . .
O7W O 0.6883(12) 0.8096(11) 0.1562(6) 0.059(6) Uani 0.50 1 d P . .
O8W O 1.1664(16) 1.6561(16) 0.0912(9) 0.030(7) Uani 0.25 1 d PU . .
N1S N 1.0898(14) 1.7802(16) 0.1051(9) 0.072(9) Uani 0.50 1 d P . .
C1S C 1.0586(13) 1.7380(16) 0.0851(9) 0.045(7) Uani 0.50 1 d PU . .
C2S C 1.0200(19) 1.6801(13) 0.0615(8) 0.071(13) Uani 0.50 1 d P . .
H2SA H 1.0472 1.6748 0.0407 0.106 Uiso 0.50 1 calc PR . .
H2SB H 0.9851 1.6832 0.0473 0.106 Uiso 0.50 1 calc PR . .
H2SC H 1.0011 1.6427 0.0805 0.106 Uiso 0.50 1 calc PR . .


_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 O1N1 2.252(11) . ?
Tb1 O1A3 2.318(10) . ?
Tb1 O1A5 2.346(10) . ?
Tb1 O4X1 2.368(11) . ?
Tb1 O1A1 2.374(10) . ?
Tb1 O1G1 2.411(9) . ?
Tb1 O1X1 2.431(9) . ?
Tb1 O3G1 2.482(11) . ?
Tb1 Cr1 3.340(3) . ?
Tb2 O2N1 2.281(13) . ?
Tb2 O2A2 2.356(12) . ?
Tb2 O2A4 2.380(13) . ?
Tb2 O3X1 2.438(10) . ?
Tb2 O2A3 2.455(10) . ?
Tb2 O3G1 2.458(11) . ?
Tb2 O2X1 2.463(10) . ?
Tb2 O1A4 2.475(13) . ?
Tb2 O1A3 2.655(10) . ?
Tb2 C1A4 2.714(17) . ?
Tb2 C1A3 2.950(17) . ?
Tb2 Cr1 3.372(3) . ?
Tb3 O1N2 2.270(11) . ?
Tb3 O2A8 2.315(11) . ?
Tb3 O1A0 2.318(10) . ?
Tb3 O1G2 2.350(9) . ?
Tb3 O1A6 2.382(9) . ?
Tb3 O2X2 2.404(11) . ?
Tb3 O3X2 2.448(10) . ?
Tb3 O3G2 2.506(10) . ?
Tb3 Cr2 3.357(3) . ?
Tb4 O2N2 2.292(11) . ?
Tb4 O1A7 2.395(11) . ?
Tb4 O1A8 2.419(11) . ?
Tb4 O4X2 2.437(10) . ?
Tb4 O1X2 2.451(10) . ?
Tb4 O1A9 2.451(12) . ?
Tb4 O3G2 2.461(10) . ?
Tb4 O2A9 2.471(12) . ?
Tb4 O2A8 2.670(12) . ?
Tb4 C1A9 2.810(18) . ?
Tb4 C1A8 2.976(16) . ?
Tb4 Cr2 3.368(3) . ?
Tb5 O5 2.376(10) . ?
Tb5 O5 2.376(10) 3_665 ?
Tb5 O5 2.376(10) 2_655 ?
Tb5 O52 2.415(12) . ?
Tb5 O52 2.415(12) 3_665 ?
Tb5 O52 2.415(12) 2_655 ?
Tb5 O51 2.488(11) . ?
Tb5 O51 2.488(11) 2_655 ?
Tb5 O51 2.488(11) 3_665 ?
Tb5 C51 2.805(19) . ?
Tb5 C51 2.805(19) 2_655 ?
Tb5 C51 2.805(19) 3_665 ?
Tb6 O6 2.374(10) . ?
Tb6 O6 2.374(10) 2_665 ?
Tb6 O6 2.374(11) 3_565 ?
Tb6 O62 2.389(11) 3_565 ?
Tb6 O62 2.389(11) 2_665 ?
Tb6 O62 2.389(11) . ?
Tb6 O61 2.465(11) . ?
Tb6 O61 2.465(11) 2_665 ?
Tb6 O61 2.465(11) 3_565 ?
Tb6 C61 2.823(16) 2_665 ?
Tb6 C61 2.823(17) 3_565 ?
Tb6 C61 2.823(17) . ?
Cr1 O1N1 1.933(11) . ?
Cr1 O2N1 1.942(13) . ?
Cr1 O2A1 1.954(13) . ?
Cr1 O3G1 1.971(10) . ?
Cr1 O1A2 1.978(13) . ?
Cr1 N1 2.104(13) . ?
Cr2 O1N2 1.948(11) . ?
Cr2 O2N2 1.957(12) . ?
Cr2 O2A7 1.966(11) . ?
Cr2 O3G2 1.990(11) . ?
Cr2 O2A6 2.014(11) . ?
Cr2 N2 2.101(15) . ?
O1X1 C1X1 1.237(18) . ?
O2X1 C1X1 1.266(18) 3_565 ?
O3X1 C2X1 1.210(18) . ?
O4X1 C2X1 1.299(17) 2_665 ?
C1X1 O2X1 1.266(18) 2_665 ?
C1X1 C2X1 1.586(19) 2_665 ?
C2X1 O4X1 1.299(17) 3_565 ?
C2X1 C1X1 1.586(19) 3_565 ?
N1 C1N1 1.49(3) . ?
N1 C3N1 1.51(3) . ?
N1 C5N1 1.54(2) . ?
O1N1 C2N1 1.46(2) . ?
O2N1 C4N1 1.365(19) . ?
C1N1 C2N1 1.45(3) . ?
C3N1 C4N1 1.36(3) . ?
C5N1 C6N1 1.41(3) . ?
C6N1 C7N1 1.41(4) . ?
C7N1 C8N1 1.59(4) . ?
O1G1 C1G1 1.277(17) . ?
O2G1 C1G1 1.215(16) . ?
O3G1 C2G1 1.436(16) . ?
C1G1 C2G1 1.50(2) . ?
O1A1 C1A1 1.34(2) . ?
O2A1 C1A1 1.21(3) . ?
C1A1 C2A1 1.55(3) . ?
O1A2 C1A2 1.28(2) . ?
O2A2 C1A2 1.26(2) . ?
C1A2 C2A2 1.52(3) . ?
O1A3 C1A3 1.299(18) . ?
O2A3 C1A3 1.27(2) . ?
C1A3 C2A3 1.47(2) . ?
O1A4 C1A4 1.30(3) . ?
O2A4 C1A4 1.23(2) . ?
C1A4 C2A4 1.53(3) . ?
O1A5 C1A5 1.232(19) . ?
O2A5 C1A5 1.256(18) . ?
C1A5 C2A5 1.49(2) . ?
O1X2 C1X2 1.26(2) . ?
O2X2 C1X2 1.273(18) 2_775 ?
O3X2 C2X2 1.266(18) . ?
O4X2 C2X2 1.239(18) 3_575 ?
C1X2 O2X2 1.273(18) 3_575 ?
C1X2 C2X2 1.52(2) 3_575 ?
C2X2 O4X2 1.240(17) 2_775 ?
C2X2 C1X2 1.52(2) 2_775 ?
O1G2 C1G2 1.269(17) . ?
O2G2 C1G2 1.246(17) . ?
O3G2 C2G2 1.460(16) . ?
C1G2 C2G2 1.48(2) . ?
N2 C3N2 1.400(2) . ?
N2 C1N2 1.42(2) . ?
N2 C5N2 1.51(2) . ?
O1N2 C2N2 1.39(2) . ?
O2N2 C4N2 1.384(18) . ?
C1N2 C2N2 1.51(3) . ?
C3N2 C4N2 1.54(3) . ?
C5N2 C6N2 1.51(3) . ?
C6N2 C7N2 1.50(4) . ?
C7N2 C8N2 1.45(4) . ?
O1A6 C1A6 1.245(19) . ?
O2A6 C1A6 1.253(19) . ?
C1A6 C2A6 1.52(2) . ?
O1A7 C1A7 1.30(2) . ?
O2A7 C1A7 1.214(19) . ?
C1A7 C2A7 1.45(2) . ?
O1A8 C1A8 1.29(2) . ?
O2A8 C1A8 1.309(18) . ?
C1A8 C2A8 1.51(2) . ?
O1A9 C1A9 1.21(2) . ?
O2A9 C1A9 1.31(2) . ?
C1A9 C2A9 1.52(3) . ?
O1A0 C1A0 1.25(2) . ?
O2A0 C1A0 1.271(19) . ?
C1A0 C2A0 1.52(2) . ?
O51 C51 1.288(19) . ?
O52 C51 1.26(2) . ?
C51 C52 1.52(3) . ?
O61 C61 1.257(19) . ?
O62 C61 1.25(2) 3_565 ?
C61 O62 1.25(2) 2_665 ?
C61 C62 1.42(3) . ?
N1S C1S 1.10(4) . ?
C1S C2S 1.43(4) . ?

loop_
_geom_angle_atom_site_label_1
_geom_angle_atom_site_label_2
_geom_angle_atom_site_label_3
_geom_angle
_geom_angle_site_symmetry_1
_geom_angle_site_symmetry_3
_geom_angle_publ_flag
O1N1 Tb1 O1A3 80.5(4) . . ?
O1N1 Tb1 O1A5 79.6(4) . . ?
O1A3 Tb1 O1A5 89.2(4) . . ?
O1N1 Tb1 O4X1 128.6(4) . . ?
O1A3 Tb1 O4X1 143.4(3) . . ?
O1A5 Tb1 O4X1 77.2(4) . . ?
O1N1 Tb1 O1A1 75.0(4) . . ?
O1A3 Tb1 O1A1 142.5(4) . . ?
O1A5 Tb1 O1A1 113.3(4) . . ?
O4X1 Tb1 O1A1 73.2(4) . . ?
O1N1 Tb1 O1G1 133.0(4) . . ?
O1A3 Tb1 O1G1 94.0(3) . . ?
O1A5 Tb1 O1G1 147.3(4) . . ?
O4X1 Tb1 O1G1 81.1(4) . . ?
O1A1 Tb1 O1G1 82.8(3) . . ?
O1N1 Tb1 O1X1 145.8(3) . . ?
O1A3 Tb1 O1X1 76.1(3) . . ?
O1A5 Tb1 O1X1 75.5(4) . . ?
O4X1 Tb1 O1X1 67.7(3) . . ?
O1A1 Tb1 O1X1 136.8(4) . . ?
O1G1 Tb1 O1X1 73.7(3) . . ?
O1N1 Tb1 O3G1 69.2(4) . . ?
O1A3 Tb1 O3G1 70.1(3) . . ?
O1A5 Tb1 O3G1 144.7(4) . . ?
O4X1 Tb1 O3G1 135.7(3) . . ?
O1A1 Tb1 O3G1 74.8(4) . . ?
O1G1 Tb1 O3G1 65.2(3) . . ?
O1X1 Tb1 O3G1 123.5(3) . . ?
O1N1 Tb1 Cr1 33.9(3) . . ?
O1A3 Tb1 Cr1 77.1(3) . . ?
O1A5 Tb1 Cr1 113.1(3) . . ?
O4X1 Tb1 Cr1 139.5(2) . . ?
O1A1 Tb1 Cr1 66.7(3) . . ?
O1G1 Tb1 Cr1 99.2(3) . . ?
O1X1 Tb1 Cr1 151.6(2) . . ?
O3G1 Tb1 Cr1 35.9(2) . . ?
O2N1 Tb2 O2A2 75.7(4) . . ?
O2N1 Tb2 O2A4 77.9(5) . . ?
O2A2 Tb2 O2A4 77.8(4) . . ?
O2N1 Tb2 O3X1 140.9(4) . . ?
O2A2 Tb2 O3X1 69.9(4) . . ?
O2A4 Tb2 O3X1 111.4(4) . . ?
O2N1 Tb2 O2A3 78.9(4) . . ?
O2A2 Tb2 O2A3 146.3(4) . . ?
O2A4 Tb2 O2A3 75.5(4) . . ?
O3X1 Tb2 O2A3 139.9(4) . . ?
O2N1 Tb2 O3G1 67.7(4) . . ?
O2A2 Tb2 O3G1 76.3(4) . . ?
O2A4 Tb2 O3G1 140.8(5) . . ?
O3X1 Tb2 O3G1 86.3(4) . . ?
O2A3 Tb2 O3G1 113.7(4) . . ?
O2N1 Tb2 O2X1 141.6(4) . . ?
O2A2 Tb2 O2X1 134.2(4) . . ?
O2A4 Tb2 O2X1 125.4(5) . . ?
O3X1 Tb2 O2X1 64.9(3) . . ?
O2A3 Tb2 O2X1 78.8(3) . . ?
O3G1 Tb2 O2X1 93.7(3) . . ?
O2N1 Tb2 O1A4 129.9(4) . . ?
O2A2 Tb2 O1A4 105.6(5) . . ?
O2A4 Tb2 O1A4 54.8(5) . . ?
O3X1 Tb2 O1A4 78.2(4) . . ?
O2A3 Tb2 O1A4 74.8(4) . . ?
O3G1 Tb2 O1A4 162.4(4) . . ?
O2X1 Tb2 O1A4 72.3(4) . . ?
O2N1 Tb2 O1A3 74.2(4) . . ?
O2A2 Tb2 O1A3 137.7(4) . . ?
O2A4 Tb2 O1A3 123.0(4) . . ?
O3X1 Tb2 O1A3 121.7(3) . . ?
O2A3 Tb2 O1A3 51.0(3) . . ?
O3G1 Tb2 O1A3 65.2(3) . . ?
O2X1 Tb2 O1A3 67.4(3) . . ?
O1A4 Tb2 O1A3 116.4(4) . . ?
O2N1 Tb2 C1A4 102.0(6) . . ?
O2A2 Tb2 C1A4 95.4(5) . . ?
O2A4 Tb2 C1A4 27.0(5) . . ?
O3X1 Tb2 C1A4 99.2(5) . . ?
O2A3 Tb2 C1A4 68.6(5) . . ?
O3G1 Tb2 C1A4 167.9(6) . . ?
O2X1 Tb2 C1A4 98.5(6) . . ?
O1A4 Tb2 C1A4 28.4(6) . . ?
O1A3 Tb2 C1A4 119.4(4) . . ?
O2N1 Tb2 C1A3 73.4(4) . . ?
O2A2 Tb2 C1A3 149.0(5) . . ?
O2A4 Tb2 C1A3 98.3(5) . . ?
O3X1 Tb2 C1A3 137.5(4) . . ?
O2A3 Tb2 C1A3 25.0(4) . . ?
O3G1 Tb2 C1A3 89.4(4) . . ?
O2X1 Tb2 C1A3 73.1(4) . . ?
O1A4 Tb2 C1A3 96.3(4) . . ?
O1A3 Tb2 C1A3 26.1(4) . . ?
C1A4 Tb2 C1A3 93.7(5) . . ?
O2N1 Tb2 Cr1 33.7(3) . . ?
O2A2 Tb2 Cr1 65.8(4) . . ?
O2A4 Tb2 Cr1 106.5(4) . . ?
O3X1 Tb2 Cr1 112.0(3) . . ?
O2A3 Tb2 Cr1 102.8(3) . . ?
O3G1 Tb2 Cr1 35.3(2) . . ?
O2X1 Tb2 Cr1 125.9(2) . . ?
O1A4 Tb2 Cr1 161.3(3) . . ?
O1A3 Tb2 Cr1 72.6(2) . . ?
C1A4 Tb2 Cr1 133.1(5) . . ?
C1A3 Tb2 Cr1 86.5(3) . . ?
O1N2 Tb3 O2A8 81.0(4) . . ?
O1N2 Tb3 O1A0 79.6(4) . . ?
O2A8 Tb3 O1A0 88.8(4) . . ?
O1N2 Tb3 O1G2 132.6(3) . . ?
O2A8 Tb3 O1G2 94.6(4) . . ?
O1A0 Tb3 O1G2 147.7(4) . . ?
O1N2 Tb3 O1A6 73.8(3) . . ?
O2A8 Tb3 O1A6 142.2(4) . . ?
O1A0 Tb3 O1A6 113.2(4) . . ?
O1G2 Tb3 O1A6 82.8(3) . . ?
O1N2 Tb3 O2X2 125.6(4) . . ?
O2A8 Tb3 O2X2 145.1(4) . . ?
O1A0 Tb3 O2X2 76.3(4) . . ?
O1G2 Tb3 O2X2 82.9(3) . . ?
O1A6 Tb3 O2X2 72.2(3) . . ?
O1N2 Tb3 O3X2 148.0(3) . . ?
O2A8 Tb3 O3X2 79.2(4) . . ?
O1A0 Tb3 O3X2 75.1(4) . . ?
O1G2 Tb3 O3X2 74.1(3) . . ?
O1A6 Tb3 O3X2 134.6(3) . . ?
O2X2 Tb3 O3X2 66.6(3) . . ?
O1N2 Tb3 O3G2 69.6(4) . . ?
O2A8 Tb3 O3G2 69.2(4) . . ?
O1A0 Tb3 O3G2 144.3(4) . . ?
O1G2 Tb3 O3G2 64.9(3) . . ?
O1A6 Tb3 O3G2 75.8(3) . . ?
O2X2 Tb3 O3G2 136.9(3) . . ?
O3X2 Tb3 O3G2 124.7(4) . . ?
O1N2 Tb3 Cr2 34.0(3) . . ?
O2A8 Tb3 Cr2 76.7(3) . . ?
O1A0 Tb3 Cr2 113.1(3) . . ?
O1G2 Tb3 Cr2 98.9(2) . . ?
O1A6 Tb3 Cr2 66.6(3) . . ?
O2X2 Tb3 Cr2 138.1(2) . . ?
O3X2 Tb3 Cr2 154.2(3) . . ?
O3G2 Tb3 Cr2 36.1(3) . . ?
O2N2 Tb4 O1A7 73.7(4) . . ?
O2N2 Tb4 O1A8 83.0(4) . . ?
O1A7 Tb4 O1A8 147.8(4) . . ?
O2N2 Tb4 O4X2 142.9(4) . . ?
O1A7 Tb4 O4X2 134.2(3) . . ?
O1A8 Tb4 O4X2 77.1(4) . . ?
O2N2 Tb4 O1X2 138.1(4) . . ?
O1A7 Tb4 O1X2 69.5(4) . . ?
O1A8 Tb4 O1X2 138.5(4) . . ?
O4X2 Tb4 O1X2 65.2(3) . . ?
O2N2 Tb4 O1A9 80.1(5) . . ?
O1A7 Tb4 O1A9 78.2(4) . . ?
O1A8 Tb4 O1A9 76.1(4) . . ?
O4X2 Tb4 O1A9 123.8(4) . . ?
O1X2 Tb4 O1A9 110.4(4) . . ?
O2N2 Tb4 O3G2 68.9(4) . . ?
O1A7 Tb4 O3G2 77.9(4) . . ?
O1A8 Tb4 O3G2 114.2(4) . . ?
O4X2 Tb4 O3G2 91.1(4) . . ?
O1X2 Tb4 O3G2 84.4(3) . . ?
O1A9 Tb4 O3G2 145.0(4) . . ?
O2N2 Tb4 O2A9 131.7(4) . . ?
O1A7 Tb4 O2A9 104.0(4) . . ?
O1A8 Tb4 O2A9 75.3(4) . . ?
O4X2 Tb4 O2A9 72.6(4) . . ?
O1X2 Tb4 O2A9 77.3(3) . . ?
O1A9 Tb4 O2A9 53.1(4) . . ?
O3G2 Tb4 O2A9 159.3(4) . . ?
O2N2 Tb4 O2A8 75.7(4) . . ?
O1A7 Tb4 O2A8 138.0(4) . . ?
O1A8 Tb4 O2A8 51.1(4) . . ?
O4X2 Tb4 O2A8 67.4(4) . . ?
O1X2 Tb4 O2A8 121.6(3) . . ?
O1A9 Tb4 O2A8 123.6(4) . . ?
O3G2 Tb4 O2A8 64.5(3) . . ?
O2A9 Tb4 O2A8 117.9(4) . . ?
O2N2 Tb4 C1A9 104.2(5) . . ?
O1A7 Tb4 C1A9 93.1(5) . . ?
O1A8 Tb4 C1A9 71.1(5) . . ?
O4X2 Tb4 C1A9 98.6(5) . . ?
O1X2 Tb4 C1A9 97.1(5) . . ?
O1A9 Tb4 C1A9 25.6(5) . . ?
O3G2 Tb4 C1A9 169.8(5) . . ?
O2A9 Tb4 C1A9 27.9(5) . . ?
O2A8 Tb4 C1A9 122.1(4) . . ?
O2N2 Tb4 C1A8 78.2(4) . . ?
O1A7 Tb4 C1A8 151.7(4) . . ?
O1A8 Tb4 C1A8 25.0(4) . . ?
O4X2 Tb4 C1A8 70.6(4) . . ?
O1X2 Tb4 C1A8 135.2(4) . . ?
O1A9 Tb4 C1A8 99.5(4) . . ?
O3G2 Tb4 C1A8 89.8(4) . . ?
O2A9 Tb4 C1A8 96.4(4) . . ?
O2A8 Tb4 C1A8 26.1(4) . . ?
C1A9 Tb4 C1A8 96.1(5) . . ?
O2N2 Tb4 Cr2 34.2(3) . . ?
O1A7 Tb4 Cr2 66.0(3) . . ?
O1A8 Tb4 Cr2 105.6(3) . . ?
O4X2 Tb4 Cr2 124.3(3) . . ?
O1X2 Tb4 Cr2 109.7(2) . . ?
O1A9 Tb4 Cr2 110.2(4) . . ?
O3G2 Tb4 Cr2 35.8(3) . . ?
O2A9 Tb4 Cr2 163.0(3) . . ?
O2A8 Tb4 Cr2 72.5(3) . . ?
C1A9 Tb4 Cr2 135.7(5) . . ?
C1A8 Tb4 Cr2 89.2(4) . . ?
O5 Tb5 O5 74.8(4) . 3_665 ?
O5 Tb5 O5 74.8(4) . 2_655 ?
O5 Tb5 O5 74.8(4) 3_665 2_655 ?
O5 Tb5 O52 147.1(4) . . ?
O5 Tb5 O52 87.1(4) 3_665 . ?
O5 Tb5 O52 127.1(4) 2_655 . ?
O5 Tb5 O52 127.1(4) . 3_665 ?
O5 Tb5 O52 147.1(4) 3_665 3_665 ?
O5 Tb5 O52 87.1(4) 2_655 3_665 ?
O52 Tb5 O52 82.3(5) . 3_665 ?
O5 Tb5 O52 87.1(4) . 2_655 ?
O5 Tb5 O52 127.1(4) 3_665 2_655 ?
O5 Tb5 O52 147.1(4) 2_655 2_655 ?
O52 Tb5 O52 82.3(5) . 2_655 ?
O52 Tb5 O52 82.3(5) 3_665 2_655 ?
O5 Tb5 O51 137.9(3) . . ?
O5 Tb5 O51 71.0(3) 3_665 . ?
O5 Tb5 O51 73.1(3) 2_655 . ?
O52 Tb5 O51 53.9(4) . . ?
O52 Tb5 O51 77.6(4) 3_665 . ?
O52 Tb5 O51 133.6(4) 2_655 . ?
O5 Tb5 O51 71.0(4) . 2_655 ?
O5 Tb5 O51 73.1(3) 3_665 2_655 ?
O5 Tb5 O51 137.9(3) 2_655 2_655 ?
O52 Tb5 O51 77.6(4) . 2_655 ?
O52 Tb5 O51 133.6(4) 3_665 2_655 ?
O52 Tb5 O51 53.9(4) 2_655 2_655 ?
O51 Tb5 O51 119.66(5) . 2_655 ?
O5 Tb5 O51 73.1(3) . 3_665 ?
O5 Tb5 O51 137.9(3) 3_665 3_665 ?
O5 Tb5 O51 71.0(3) 2_655 3_665 ?
O52 Tb5 O51 133.6(4) . 3_665 ?
O52 Tb5 O51 53.9(4) 3_665 3_665 ?
O52 Tb5 O51 77.6(4) 2_655 3_665 ?
O51 Tb5 O51 119.66(5) . 3_665 ?
O51 Tb5 O51 119.66(5) 2_655 3_665 ?
O5 Tb5 C51 151.9(5) . . ?
O5 Tb5 C51 77.2(5) 3_665 . ?
O5 Tb5 C51 100.4(5) 2_655 . ?
O52 Tb5 C51 26.6(5) . . ?
O52 Tb5 C51 79.5(5) 3_665 . ?
O52 Tb5 C51 108.0(5) 2_655 . ?
O51 Tb5 C51 27.3(5) . . ?
O51 Tb5 C51 98.3(5) 2_655 . ?
O51 Tb5 C51 132.4(5) 3_665 . ?
O5 Tb5 C51 77.2(5) . 2_655 ?
O5 Tb5 C51 100.4(5) 3_665 2_655 ?
O5 Tb5 C51 151.9(5) 2_655 2_655 ?
O52 Tb5 C51 79.4(5) . 2_655 ?
O52 Tb5 C51 108.0(5) 3_665 2_655 ?
O52 Tb5 C51 26.6(5) 2_655 2_655 ?
O51 Tb5 C51 132.4(5) . 2_655 ?
O51 Tb5 C51 27.3(5) 2_655 2_655 ?
O51 Tb5 C51 98.3(5) 3_665 2_655 ?
C51 Tb5 C51 105.5(5) . 2_655 ?
O5 Tb5 C51 100.4(5) . 3_665 ?
O5 Tb5 C51 151.9(5) 3_665 3_665 ?
O5 Tb5 C51 77.2(5) 2_655 3_665 ?
O52 Tb5 C51 108.0(5) . 3_665 ?
O52 Tb5 C51 26.6(5) 3_665 3_665 ?
O52 Tb5 C51 79.4(5) 2_655 3_665 ?
O51 Tb5 C51 98.3(5) . 3_665 ?
O51 Tb5 C51 132.4(5) 2_655 3_665 ?
O51 Tb5 C51 27.3(5) 3_665 3_665 ?
C51 Tb5 C51 105.5(5) . 3_665 ?
C51 Tb5 C51 105.5(5) 2_655 3_665 ?
O6 Tb6 O6 76.6(4) . 2_665 ?
O6 Tb6 O6 76.6(4) . 3_565 ?
O6 Tb6 O6 76.6(4) 2_665 3_565 ?
O6 Tb6 O62 85.0(4) . 3_565 ?
O6 Tb6 O62 147.1(4) 2_665 3_565 ?
O6 Tb6 O62 125.5(4) 3_565 3_565 ?
O6 Tb6 O62 147.1(4) . 2_665 ?
O6 Tb6 O62 125.6(4) 2_665 2_665 ?
O6 Tb6 O62 85.0(4) 3_565 2_665 ?
O62 Tb6 O62 83.8(5) 3_565 2_665 ?
O6 Tb6 O62 125.6(4) . . ?
O6 Tb6 O62 85.0(4) 2_665 . ?
O6 Tb6 O62 147.1(4) 3_565 . ?
O62 Tb6 O62 83.8(5) 3_565 . ?
O62 Tb6 O62 83.8(5) 2_665 . ?
O6 Tb6 O61 139.7(4) . . ?
O6 Tb6 O61 73.1(4) 2_665 . ?
O6 Tb6 O61 71.1(4) 3_565 . ?
O62 Tb6 O61 133.6(4) 3_565 . ?
O62 Tb6 O61 52.5(4) 2_665 . ?
O62 Tb6 O61 77.5(4) . . ?
O6 Tb6 O61 71.1(4) . 2_665 ?
O6 Tb6 O61 139.7(4) 2_665 2_665 ?
O6 Tb6 O61 73.1(4) 3_565 2_665 ?
O62 Tb6 O61 52.5(4) 3_565 2_665 ?
O62 Tb6 O61 77.5(4) 2_665 2_665 ?
O62 Tb6 O61 133.6(4) . 2_665 ?
O61 Tb6 O61 119.51(6) . 2_665 ?
O6 Tb6 O61 73.1(4) . 3_565 ?
O6 Tb6 O61 71.1(4) 2_665 3_565 ?
O6 Tb6 O61 139.7(4) 3_565 3_565 ?
O62 Tb6 O61 77.5(4) 3_565 3_565 ?
O62 Tb6 O61 133.6(4) 2_665 3_565 ?
O62 Tb6 O61 52.5(4) . 3_565 ?
O61 Tb6 O61 119.51(6) . 3_565 ?
O61 Tb6 O61 119.51(6) 2_665 3_565 ?
O6 Tb6 C61 75.5(5) . 2_665 ?
O6 Tb6 C61 151.9(5) 2_665 2_665 ?
O6 Tb6 C61 99.4(4) 3_565 2_665 ?
O62 Tb6 C61 26.1(4) 3_565 2_665 ?
O62 Tb6 C61 81.0(5) 2_665 2_665 ?
O62 Tb6 C61 109.2(5) . 2_665 ?
O61 Tb6 C61 132.6(5) . 2_665 ?
O61 Tb6 C61 26.4(4) 2_665 2_665 ?
O61 Tb6 C61 98.0(5) 3_565 2_665 ?
O6 Tb6 C61 99.4(4) . 3_565 ?
O6 Tb6 C61 75.5(5) 2_665 3_565 ?
O6 Tb6 C61 151.9(5) 3_565 3_565 ?
O62 Tb6 C61 81.0(5) 3_565 3_565 ?
O62 Tb6 C61 109.2(5) 2_665 3_565 ?
O62 Tb6 C61 26.1(4) . 3_565 ?
O61 Tb6 C61 98.0(5) . 3_565 ?
O61 Tb6 C61 132.6(5) 2_665 3_565 ?
O61 Tb6 C61 26.4(4) 3_565 3_565 ?
C61 Tb6 C61 106.5(4) 2_665 3_565 ?
O6 Tb6 C61 151.9(5) . . ?
O6 Tb6 C61 99.4(4) 2_665 . ?
O6 Tb6 C61 75.5(5) 3_565 . ?
O62 Tb6 C61 109.2(5) 3_565 . ?
O62 Tb6 C61 26.1(4) 2_665 . ?
O62 Tb6 C61 81.0(5) . . ?
O61 Tb6 C61 26.4(4) . . ?
O61 Tb6 C61 98.0(5) 2_665 . ?
O61 Tb6 C61 132.6(5) 3_565 . ?
C61 Tb6 C61 106.5(4) 2_665 . ?
C61 Tb6 C61 106.5(4) 3_565 . ?
O1N1 Cr1 O2N1 91.2(5) . . ?
O1N1 Cr1 O2A1 89.1(5) . . ?
O2N1 Cr1 O2A1 179.4(6) . . ?
O1N1 Cr1 O3G1 87.3(4) . . ?
O2N1 Cr1 O3G1 84.9(5) . . ?
O2A1 Cr1 O3G1 94.6(5) . . ?
O1N1 Cr1 O1A2 175.9(6) . . ?
O2N1 Cr1 O1A2 92.3(6) . . ?
O2A1 Cr1 O1A2 87.4(6) . . ?
O3G1 Cr1 O1A2 95.1(5) . . ?
O1N1 Cr1 N1 86.4(6) . . ?
O2N1 Cr1 N1 82.0(6) . . ?
O2A1 Cr1 N1 98.5(6) . . ?
O3G1 Cr1 N1 165.3(6) . . ?
O1A2 Cr1 N1 92.0(6) . . ?
O1N1 Cr1 Tb1 40.5(3) . . ?
O2N1 Cr1 Tb1 94.3(3) . . ?
O2A1 Cr1 Tb1 85.6(4) . . ?
O3G1 Cr1 Tb1 47.6(3) . . ?
O1A2 Cr1 Tb1 141.1(4) . . ?
N1 Cr1 Tb1 126.8(5) . . ?
O1N1 Cr1 Tb2 98.9(4) . . ?
O2N1 Cr1 Tb2 40.6(4) . . ?
O2A1 Cr1 Tb2 138.8(4) . . ?
O3G1 Cr1 Tb2 46.1(3) . . ?
O1A2 Cr1 Tb2 85.2(4) . . ?
N1 Cr1 Tb2 122.1(5) . . ?
Tb1 Cr1 Tb2 75.58(6) . . ?
O1N2 Cr2 O2N2 93.0(4) . . ?
O1N2 Cr2 O2A7 175.3(5) . . ?
O2N2 Cr2 O2A7 90.6(5) . . ?
O1N2 Cr2 O3G2 87.9(4) . . ?
O2N2 Cr2 O3G2 86.0(4) . . ?
O2A7 Cr2 O3G2 95.4(4) . . ?
O1N2 Cr2 O2A6 87.2(4) . . ?
O2N2 Cr2 O2A6 179.7(5) . . ?
O2A7 Cr2 O2A6 89.3(5) . . ?
O3G2 Cr2 O2A6 94.2(4) . . ?
O1N2 Cr2 N2 84.9(5) . . ?
O2N2 Cr2 N2 82.7(5) . . ?
O2A7 Cr2 N2 92.6(5) . . ?
O3G2 Cr2 N2 166.2(4) . . ?
O2A6 Cr2 N2 97.1(5) . . ?
O1N2 Cr2 Tb3 40.7(3) . . ?
O2N2 Cr2 Tb3 96.2(3) . . ?
O2A7 Cr2 Tb3 141.8(3) . . ?
O3G2 Cr2 Tb3 47.9(3) . . ?
O2A6 Cr2 Tb3 84.1(3) . . ?
N2 Cr2 Tb3 125.6(4) . . ?
O1N2 Cr2 Tb4 99.8(3) . . ?
O2N2 Cr2 Tb4 41.2(3) . . ?
O2A7 Cr2 Tb4 84.9(3) . . ?
O3G2 Cr2 Tb4 46.4(3) . . ?
O2A6 Cr2 Tb4 139.0(3) . . ?
N2 Cr2 Tb4 123.6(4) . . ?
Tb3 Cr2 Tb4 76.21(6) . . ?
C1X1 O1X1 Tb1 118.1(8) . . ?
C1X1 O2X1 Tb2 122.1(9) 3_565 . ?
C2X1 O3X1 Tb2 121.4(8) . . ?
C2X1 O4X1 Tb1 122.2(9) 2_665 . ?
O1X1 C1X1 O2X1 129.6(13) . 2_665 ?
O1X1 C1X1 C2X1 119.3(13) . 2_665 ?
O2X1 C1X1 C2X1 111.1(13) 2_665 2_665 ?
O3X1 C2X1 O4X1 129.7(13) . 3_565 ?
O3X1 C2X1 C1X1 118.6(12) . 3_565 ?
O4X1 C2X1 C1X1 111.6(14) 3_565 3_565 ?
C1N1 N1 C3N1 113.0(17) . . ?
C1N1 N1 C5N1 113.6(18) . . ?
C3N1 N1 C5N1 110.3(16) . . ?
C1N1 N1 Cr1 104.2(12) . . ?
C3N1 N1 Cr1 103.2(12) . . ?
C5N1 N1 Cr1 111.9(11) . . ?
C2N1 O1N1 Cr1 108.1(13) . . ?
C2N1 O1N1 Tb1 138.6(11) . . ?
Cr1 O1N1 Tb1 105.6(4) . . ?
C4N1 O2N1 Cr1 113.0(13) . . ?
C4N1 O2N1 Tb2 138.3(14) . . ?
Cr1 O2N1 Tb2 105.7(4) . . ?
C2N1 C1N1 N1 112.8(18) . . ?
O1N1 C2N1 C1N1 111.1(17) . . ?
C4N1 C3N1 N1 109.4(18) . . ?
O2N1 C4N1 C3N1 118.2(18) . . ?
C6N1 C5N1 N1 117.2(19) . . ?
C5N1 C6N1 C7N1 115(3) . . ?
C6N1 C7N1 C8N1 114(3) . . ?
C1G1 O1G1 Tb1 122.0(9) . . ?
C2G1 O3G1 Cr1 122.8(9) . . ?
C2G1 O3G1 Tb2 112.3(9) . . ?
Cr1 O3G1 Tb2 98.6(4) . . ?
C2G1 O3G1 Tb1 112.5(8) . . ?
Cr1 O3G1 Tb1 96.5(4) . . ?
Tb2 O3G1 Tb1 112.7(4) . . ?
O2G1 C1G1 O1G1 123.4(14) . . ?
O2G1 C1G1 C2G1 119.7(13) . . ?
O1G1 C1G1 C2G1 116.8(12) . . ?
O3G1 C2G1 C1G1 109.0(11) . . ?
C1A1 O1A1 Tb1 132.0(12) . . ?
C1A1 O2A1 Cr1 128.5(11) . . ?
O2A1 C1A1 O1A1 125.5(16) . . ?
O2A1 C1A1 C2A1 122.0(18) . . ?
O1A1 C1A1 C2A1 112(2) . . ?
C1A2 O1A2 Cr1 126.6(11) . . ?
C1A2 O2A2 Tb2 137.1(13) . . ?
O2A2 C1A2 O1A2 124.7(17) . . ?
O2A2 C1A2 C2A2 119(2) . . ?
O1A2 C1A2 C2A2 116.4(18) . . ?
C1A3 O1A3 Tb1 153.2(11) . . ?
C1A3 O1A3 Tb2 89.7(10) . . ?
Tb1 O1A3 Tb2 111.4(3) . . ?
C1A3 O2A3 Tb2 99.9(8) . . ?
O2A3 C1A3 O1A3 118.8(14) . . ?
O2A3 C1A3 C2A3 121.3(14) . . ?
O1A3 C1A3 C2A3 119.8(17) . . ?
O2A3 C1A3 Tb2 55.1(7) . . ?
O1A3 C1A3 Tb2 64.2(8) . . ?
C2A3 C1A3 Tb2 173.7(12) . . ?
C1A4 O1A4 Tb2 86.0(11) . . ?
C1A4 O2A4 Tb2 91.7(11) . . ?
O2A4 C1A4 O1A4 124.1(16) . . ?
O2A4 C1A4 C2A4 122(2) . . ?
O1A4 C1A4 C2A4 114(2) . . ?
O2A4 C1A4 Tb2 61.3(9) . . ?
O1A4 C1A4 Tb2 65.5(9) . . ?
C2A4 C1A4 Tb2 158.0(15) . . ?
C1A5 O1A5 Tb1 133.5(9) . . ?
O1A5 C1A5 O2A5 121.8(15) . . ?
O1A5 C1A5 C2A5 119.3(13) . . ?
O2A5 C1A5 C2A5 118.8(16) . . ?
C1X2 O1X2 Tb4 119.2(9) . . ?
C1X2 O2X2 Tb3 120.1(10) 2_775 . ?
C2X2 O3X2 Tb3 119.1(9) . . ?
C2X2 O4X2 Tb4 121.5(9) 3_575 . ?
O1X2 C1X2 O2X2 125.4(14) . 3_575 ?
O1X2 C1X2 C2X2 117.6(13) . 3_575 ?
O2X2 C1X2 C2X2 116.9(15) 3_575 3_575 ?
O4X2 C2X2 O3X2 128.3(14) 2_775 . ?
O4X2 C2X2 C1X2 115.0(14) 2_775 2_775 ?
O3X2 C2X2 C1X2 116.7(13) . 2_775 ?
C1G2 O1G2 Tb3 124.5(9) . . ?
C2G2 O3G2 Cr2 122.8(8) . . ?
C2G2 O3G2 Tb4 114.5(8) . . ?
Cr2 O3G2 Tb4 97.8(4) . . ?
C2G2 O3G2 Tb3 110.8(8) . . ?
Cr2 O3G2 Tb3 95.9(4) . . ?
Tb4 O3G2 Tb3 113.4(3) . . ?
O2G2 C1G2 O1G2 125.5(15) . . ?
O2G2 C1G2 C2G2 117.8(13) . . ?
O1G2 C1G2 C2G2 116.6(12) . . ?
O3G2 C2G2 C1G2 109.6(10) . . ?
C3N2 N2 C1N2 111.1(15) . . ?
C3N2 N2 C5N2 111.3(15) . . ?
C1N2 N2 C5N2 112.1(15) . . ?
C3N2 N2 Cr2 102.7(12) . . ?
C1N2 N2 Cr2 106.9(11) . . ?
C5N2 N2 Cr2 112.2(10) . . ?
C2N2 O1N2 Cr2 108.3(12) . . ?
C2N2 O1N2 Tb3 137.6(11) . . ?
Cr2 O1N2 Tb3 105.2(4) . . ?
C4N2 O2N2 Cr2 117.3(11) . . ?
C4N2 O2N2 Tb4 135.8(12) . . ?
Cr2 O2N2 Tb4 104.6(4) . . ?
N2 C1N2 C2N2 112.3(16) . . ?
O1N2 C2N2 C1N2 112.6(16) . . ?
N2 C3N2 C4N2 115.5(16) . . ?
O2N2 C4N2 C3N2 107.3(15) . . ?
C6N2 C5N2 N2 116.4(16) . . ?
C7N2 C6N2 C5N2 110(2) . . ?
C8N2 C7N2 C6N2 119(3) . . ?
C1A6 O1A6 Tb3 135.0(10) . . ?
C1A6 O2A6 Cr2 127.4(10) . . ?
O1A6 C1A6 O2A6 124.9(16) . . ?
O1A6 C1A6 C2A6 119.4(15) . . ?
O2A6 C1A6 C2A6 115.7(16) . . ?
C1A7 O1A7 Tb4 134.7(10) . . ?
C1A7 O2A7 Cr2 129.8(11) . . ?
O2A7 C1A7 O1A7 124.5(15) . . ?
O2A7 C1A7 C2A7 118.6(17) . . ?
O1A7 C1A7 C2A7 116.9(16) . . ?
C1A8 O1A8 Tb4 102.4(8) . . ?
C1A8 O2A8 Tb3 155.5(12) . . ?
C1A8 O2A8 Tb4 90.1(10) . . ?
Tb3 O2A8 Tb4 112.6(4) . . ?
O1A8 C1A8 O2A8 116.3(14) . . ?
O1A8 C1A8 C2A8 122.6(14) . . ?
O2A8 C1A8 C2A8 121.1(16) . . ?
O1A8 C1A8 Tb4 52.5(7) . . ?
O2A8 C1A8 Tb4 63.8(8) . . ?
C2A8 C1A8 Tb4 174.9(13) . . ?
C1A9 O1A9 Tb4 94.0(11) . . ?
C1A9 O2A9 Tb4 90.6(11) . . ?
O1A9 C1A9 O2A9 121.0(16) . . ?
O1A9 C1A9 C2A9 125.6(19) . . ?
O2A9 C1A9 C2A9 113(2) . . ?
O1A9 C1A9 Tb4 60.5(9) . . ?
O2A9 C1A9 Tb4 61.6(9) . . ?
C2A9 C1A9 Tb4 168.9(15) . . ?
C1A0 O1A0 Tb3 133.1(9) . . ?
O1A0 C1A0 O2A0 124.9(16) . . ?
O1A0 C1A0 C2A0 119.3(14) . . ?
O2A0 C1A0 C2A0 115.8(17) . . ?
C51 O51 Tb5 90.2(11) . . ?
C51 O52 Tb5 94.2(10) . . ?
O52 C51 O51 121.6(17) . . ?
O52 C51 C52 120.8(16) . . ?
O51 C51 C52 117.4(19) . . ?
O52 C51 Tb5 59.2(9) . . ?
O51 C51 Tb5 62.5(9) . . ?
C52 C51 Tb5 173.6(14) . . ?
C61 O61 Tb6 92.9(10) . . ?
C61 O62 Tb6 96.7(9) 3_565 . ?
O62 C61 O61 117.7(15) 2_665 . ?
O62 C61 C62 120.1(16) 2_665 . ?
O61 C61 C62 122.2(17) . . ?
O62 C61 Tb6 57.2(8) 2_665 . ?
O61 C61 Tb6 60.7(8) . . ?
C62 C61 Tb6 173.1(17) . . ?
N1S C1S C2S 175(4) . . ?

_diffrn_measured_fraction_theta_max 0.996
_diffrn_reflns_theta_full        26.37
_diffrn_measured_fraction_theta_full 0.996
_refine_diff_density_max         1.546
_refine_diff_density_min         -1.498
_refine_diff_density_rms         0.168
