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

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

data_p140617c
_database_code_depnum_ccdc_archive 'CCDC 1038139'
_audit_update_record             
;
2014-12-16 deposited with the CCDC.
2015-02-11 downloaded from the CCDC.
;
_audit_creation_date             2014-12-16
_audit_creation_method           
;
Olex2 1.2
(compiled 2014.11.28 svn.r3106 for OlexSys, GUI svn.r4959)
;
_chemical_name_common            ?
_chemical_name_systematic        
;
 ? 
;
_chemical_formula_moiety         'C14 H22 O11 Tb2, H2 O'
_chemical_formula_sum            'C14 H24 O12 Tb2'
_chemical_formula_weight         702.17
_chemical_melting_point          ?
_chemical_oxdiff_formula         'C Dy'
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'
O O 0.0106 0.0060 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Tb Tb -0.1723 4.1537 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'

_space_group_crystal_system      triclinic
_space_group_IT_number           2
_space_group_name_H-M_alt        'P -1'
_space_group_name_Hall           '-P 1'
loop_
_space_group_symop_id
_space_group_symop_operation_xyz
1 'x, y, z'
2 '-x, -y, -z'

_cell_length_a                   7.1577(5)
_cell_length_b                   9.9319(10)
_cell_length_c                   14.9339(17)
_cell_angle_alpha                71.781(10)
_cell_angle_beta                 82.756(8)
_cell_angle_gamma                75.432(8)
_cell_volume                     974.70(17)
_cell_formula_units_Z            2
_cell_measurement_reflns_used    4054
_cell_measurement_temperature    130.6(9)
_cell_measurement_theta_max      28.8000
_cell_measurement_theta_min      3.7850
_exptl_absorpt_coefficient_mu    7.257
_exptl_absorpt_correction_T_max  1.00000
_exptl_absorpt_correction_T_min  0.40175
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   
;
CrysAlisPro, Agilent Technologies,
Version 1.171.36.32 (release 02-08-2013 CrysAlis171 .NET)
(compiled Aug  2 2013,16:46:58)
Empirical absorption correction using spherical harmonics,
 implemented in SCALE3 ABSPACK scaling algorithm.
;
_exptl_crystal_colour            White
_exptl_crystal_density_diffrn    2.392
_exptl_crystal_density_meas      ?
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       Rectangular
_exptl_crystal_F_000             668
_exptl_crystal_size_max          0.12
_exptl_crystal_size_mid          0.04
_exptl_crystal_size_min          0.02
_exptl_special_details           
;
 ? 
;
_diffrn_reflns_av_R_equivalents  0.0446
_diffrn_reflns_av_unetI/netI     0.0529
_diffrn_reflns_limit_h_max       8
_diffrn_reflns_limit_h_min       -8
_diffrn_reflns_limit_k_max       11
_diffrn_reflns_limit_k_min       -11
_diffrn_reflns_limit_l_max       17
_diffrn_reflns_limit_l_min       -17
_diffrn_reflns_number            6604
_diffrn_reflns_theta_full        25.00
_diffrn_reflns_theta_max         25.00
_diffrn_reflns_theta_min         2.94
_diffrn_ambient_temperature      130.6(9)
_diffrn_detector_area_resol_mean 16.2116
_diffrn_measured_fraction_theta_full 0.999
_diffrn_measured_fraction_theta_max 0.999
_diffrn_measurement_details      
;
#__ type_ start__ end____ width___ exp.time_
  1 omega    1.00   26.00   1.0000   15.0000
omega____ theta____ kappa____ phi______ frames
    -       18.0372   57.0000  -30.0000 25

#__ type_ start__ end____ width___ exp.time_
  2 omega  -12.00   88.00   1.0000   15.0000
omega____ theta____ kappa____ phi______ frames
    -       18.0372   19.0000  -90.0000 100

#__ type_ start__ end____ width___ exp.time_
  3 omega   32.00   81.00   1.0000   15.0000
omega____ theta____ kappa____ phi______ frames
    -       18.0372 -135.0000 -110.0000 49

#__ type_ start__ end____ width___ exp.time_
  4 omega  -47.00   48.00   1.0000   15.0000
omega____ theta____ kappa____ phi______ frames
    -       18.0372  -77.0000  -30.0000 95

#__ type_ start__ end____ width___ exp.time_
  5 omega   -8.00   88.00   1.0000   15.0000
omega____ theta____ kappa____ phi______ frames
    -       18.0372   77.0000   90.0000 96

#__ type_ start__ end____ width___ exp.time_
  6 omega  -60.00  -35.00   1.0000   15.0000
omega____ theta____ kappa____ phi______ frames
    -      -18.8185 -178.0000  -30.0000 25
;
_diffrn_measurement_device_type  'SuperNova, Single source at offset, Eos'
_diffrn_measurement_method       'ω scans'
_diffrn_orient_matrix_UB_11      0.0852928000
_diffrn_orient_matrix_UB_12      0.0272535000
_diffrn_orient_matrix_UB_13      -0.0101000000
_diffrn_orient_matrix_UB_21      0.0126982000
_diffrn_orient_matrix_UB_22      -0.0181147000
_diffrn_orient_matrix_UB_23      0.0490378000
_diffrn_orient_matrix_UB_31      0.0554544000
_diffrn_orient_matrix_UB_32      -0.0698831000
_diffrn_orient_matrix_UB_33      -0.0004733000
_diffrn_radiation_monochromator  mirror
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_source                   'SuperNova (Mo) X-ray Source'
_diffrn_standards_decay_%        ?
_diffrn_standards_interval_count ?
_diffrn_standards_interval_time  ?
_diffrn_standards_number         ?
_reflns_number_gt                3047
_reflns_number_total             3424
_reflns_odcompleteness_completeness 99.87
_reflns_odcompleteness_iscentric 1
_reflns_odcompleteness_theta     26.32
_reflns_threshold_expression     >2sigma(I)
_computing_cell_refinement       
;
CrysAlisPro, Agilent Technologies,
Version 1.171.36.32 (release 02-08-2013 CrysAlis171 .NET)
(compiled Aug  2 2013,16:46:58)
;
_computing_data_collection       
;
CrysAlisPro, Agilent Technologies,
Version 1.171.36.32 (release 02-08-2013 CrysAlis171 .NET)
(compiled Aug  2 2013,16:46:58)
;
_computing_data_reduction        
;
CrysAlisPro, Agilent Technologies,
Version 1.171.36.32 (release 02-08-2013 CrysAlis171 .NET)
(compiled Aug  2 2013,16:46:58)
;
_computing_molecular_graphics    'Olex2 (Dolomanov et al., 2009)'
_computing_publication_material  'Olex2 (Dolomanov et al., 2009)'
_computing_structure_refinement  'XL (Sheldrick, 2008)'
_computing_structure_solution    
;
Superflip (Palatinus & Chapuis, 2007;Palatinus & van der Lee, 2008;
Palatinus et al., 2012)
;
_refine_diff_density_max         1.453
_refine_diff_density_min         -1.361
_refine_diff_density_rms         0.194
_refine_ls_extinction_coef       ?
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.029
_refine_ls_hydrogen_treatment    mixed
_refine_ls_matrix_type           full
_refine_ls_number_parameters     268
_refine_ls_number_reflns         3424
_refine_ls_number_restraints     24
_refine_ls_R_factor_all          0.0321
_refine_ls_R_factor_gt           0.0278
_refine_ls_restrained_S_all      1.028
_refine_ls_shift/su_max          0.001
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details     
'calc w=1/[σ²(Fo²)+(0.0260P)²+0.0000P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0632
_refine_ls_wR_factor_ref         0.0668
_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. 
;
_olex2_refinement_description    
;
1. Fixed Uiso
 At 1.2 times of:
  All C(H,H) groups
 At 1.5 times of:
  All C(H,H,H) groups, All O(H,H) groups
2. Uiso/Uaniso restraints and constraints
Uanis(C5) \\sim Ueq, Uanis(C8) \\sim Ueq, Uanis(O8) \\sim Ueq, Uanis(C1) \\sim
Ueq: with sigma of 0.001 and sigma for terminal atoms of 0.002
3.a Free rotating group:
 O12(H12C,H12D)
3.b Secondary CH2 refined with riding coordinates:
 C12(H12A,H12B), C7(H7A,H7B), C6(H6A,H6B), C13(H13A,H13B)
3.c Idealised Me refined as rotating group:
 C10(H10A,H10B,H10C), C4(H4A,H4B,H4C), C11(H11C,H11D,H11E), C3(H3A,H3B,H3C)
;
_atom_sites_solution_hydrogens   geom
_atom_sites_solution_primary     iterative
_atom_sites_solution_secondary   difmap
loop_
_atom_site_label
_atom_site_type_symbol
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_U_iso_or_equiv
_atom_site_adp_type
_atom_site_occupancy
_atom_site_calc_flag
_atom_site_disorder_assembly
_atom_site_disorder_group
_atom_site_refinement_flags_posn
_atom_site_refinement_flags_adp
Tb1 Tb 0.16372(3) 0.32951(3) 0.591747(17) 0.00578(9) Uani 1 d . . . .
Tb2 Tb 0.38905(3) 0.55691(3) 0.376642(17) 0.00585(9) Uani 1 d . . . .
O7 O 0.3450(5) 0.1543(4) 0.7078(3) 0.0112(8) Uani 1 d . . . .
O11 O 0.0023(5) 0.1234(4) 0.6349(3) 0.0103(8) Uani 1 d . . . .
O5 O 0.2476(5) 0.1844(4) 0.4888(3) 0.0161(9) Uani 1 d . . . .
O6 O 0.3468(6) 0.3440(4) 0.3633(3) 0.0224(10) Uani 1 d . . . .
O8 O 0.4728(5) 0.3596(4) 0.5250(2) 0.0067(8) Uani 1 d . . . U
O1 O 0.0775(5) 0.6267(4) 0.2920(2) 0.0095(8) Uani 1 d . . . .
O12 O 0.7829(6) 0.1223(5) 0.4857(3) 0.0217(10) Uani 1 d . . . .
H12C H 0.8151 0.1746 0.4318 0.032 Uiso 1 d . . G .
H12D H 0.7928 0.0362 0.4835 0.032 Uiso 1 d . . G .
O4 O 0.0833(5) 0.6873(4) 0.6647(3) 0.0188(9) Uani 1 d . . . .
O10 O 0.3612(5) 0.8124(4) 0.2886(3) 0.0113(8) Uani 1 d . . . .
O3 O 0.2861(5) 0.4759(4) 0.6672(3) 0.0096(8) Uani 1 d . . . .
C9 C 0.5713(7) -0.0468(6) 0.7991(4) 0.0088(11) Uani 1 d . . . .
O2 O 0.3534(5) 0.5869(4) 0.2121(3) 0.0125(8) Uani 1 d . . . .
O9 O 0.1316(5) 0.5783(4) 0.4856(3) 0.0089(8) Uani 1 d . . . .
C10 C 0.7716(8) -0.0854(7) 0.8358(5) 0.0262(16) Uani 1 d . . . .
H10A H 0.7940 -0.1812 0.8798 0.039 Uiso 1 calc . . GR .
H10B H 0.7816 -0.0163 0.8668 0.039 Uiso 1 calc . . GR .
H10C H 0.8661 -0.0831 0.7840 0.039 Uiso 1 calc . . GR .
C2 C 0.0712(7) 0.6542(6) 0.1232(4) 0.0093(11) Uani 1 d . . . .
C4 C 0.0623(8) 0.8164(6) 0.0757(4) 0.0192(14) Uani 1 d . . . .
H4A H 0.0034 0.8463 0.0162 0.029 Uiso 1 calc . . GR .
H4B H 0.1909 0.8329 0.0655 0.029 Uiso 1 calc . . GR .
H4C H -0.0128 0.8717 0.1156 0.029 Uiso 1 calc . . GR .
C12 C 0.5502(9) -0.1475(6) 0.7434(4) 0.0208(14) Uani 1 d . . . .
H12A H 0.6100 -0.2470 0.7767 0.025 Uiso 1 calc . . R .
H12B H 0.4140 -0.1420 0.7398 0.025 Uiso 1 calc . . R .
C11 C 0.4277(9) -0.0665(7) 0.8845(5) 0.0323(17) Uani 1 d . . . .
H11C H 0.4580 -0.1655 0.9237 0.048 Uiso 1 calc . . GR .
H11D H 0.2990 -0.0434 0.8634 0.048 Uiso 1 calc . . GR .
H11E H 0.4357 -0.0029 0.9201 0.048 Uiso 1 calc . . GR .
C7 C 0.1402(7) 0.3645(6) 0.8616(4) 0.0103(12) Uani 1 d . . . .
H7A H 0.1972 0.3294 0.9226 0.012 Uiso 1 calc . . R .
H7B H 0.2120 0.3029 0.8238 0.012 Uiso 1 calc . . R .
C1 C 0.1715(7) 0.6177(6) 0.2136(4) 0.0087(11) Uani 1 d . . . U
C8 C 0.5150(7) 0.1096(5) 0.7356(4) 0.0073(11) Uani 1 d . . . U
C14 C 0.3171(7) 0.2216(6) 0.4051(4) 0.0114(12) Uani 1 d . . . .
C6 C 0.1675(8) 0.5186(6) 0.8140(4) 0.0151(13) Uani 1 d . . . .
H6A H 0.0632 0.5853 0.8368 0.018 Uiso 1 calc . . R .
H6B H 0.2873 0.5263 0.8339 0.018 Uiso 1 calc . . R .
C5 C 0.1729(7) 0.5671(6) 0.7089(4) 0.0099(11) Uani 1 d . . . U
C3 C 0.1912(8) 0.5643(7) 0.0597(4) 0.0186(14) Uani 1 d . . . .
H3A H 0.1266 0.5877 0.0024 0.028 Uiso 1 calc . . GR .
H3B H 0.2052 0.4625 0.0922 0.028 Uiso 1 calc . . GR .
H3C H 0.3165 0.5865 0.0450 0.028 Uiso 1 calc . . GR .
C13 C 0.6400(9) -0.1092(6) 0.6466(4) 0.0197(14) Uani 1 d . . . .
H13A H 0.7603 -0.0831 0.6500 0.024 Uiso 1 calc . . R .
H13B H 0.5555 -0.0228 0.6090 0.024 Uiso 1 calc . . R .
H11A H -0.115(10) 0.122(7) 0.673(5) 0.04(2) Uiso 1 d . . . .
H11B H -0.036(8) 0.103(6) 0.587(4) 0.009(16) Uiso 1 d . . . .


_geom_special_details            
;
 All esds (except the esd in the dihedral angle between two l.s. planes) 
 are estimated using the full covariance matrix.  The cell esds are taken 
 into account individually in the estimation of esds in distances, angles 
 and torsion angles; correlations between esds in cell parameters are only 
 used when they are defined by crystal symmetry.  An approximate (isotropic) 
 treatment of cell esds is used for estimating esds involving l.s. planes. 
;
loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_site_symmetry_2
_geom_bond_publ_flag
Tb1 Tb2 3.7780(4) 2_666 ?
Tb1 Tb2 3.7431(6) . ?
Tb1 Tb2 3.8427(5) 2_566 ?
Tb1 O7 2.294(4) . ?
Tb1 O11 2.474(4) . ?
Tb1 O5 2.349(4) . ?
Tb1 O8 2.360(3) . ?
Tb1 O1 2.350(3) 2_566 ?
Tb1 O3 2.463(3) . ?
Tb1 O9 2.455(4) . ?
Tb1 O9 2.371(4) 2_566 ?
Tb2 Tb1 3.8427(5) 2_566 ?
Tb2 Tb1 3.7780(4) 2_666 ?
Tb2 O6 2.281(4) . ?
Tb2 O8 2.316(3) 2_666 ?
Tb2 O8 2.477(3) . ?
Tb2 O1 2.537(3) . ?
Tb2 O10 2.436(4) . ?
Tb2 O3 2.304(3) 2_666 ?
Tb2 O2 2.419(4) . ?
Tb2 O9 2.313(3) . ?
Tb2 C1 2.877(5) . ?
O7 C8 1.261(6) . ?
O5 C14 1.262(6) . ?
O6 C14 1.239(6) . ?
O8 Tb2 2.316(3) 2_666 ?
O1 Tb1 2.350(3) 2_566 ?
O1 C1 1.291(6) . ?
O4 C5 1.225(6) . ?
O10 C8 1.266(6) 2_666 ?
O3 Tb2 2.304(3) 2_666 ?
O3 C5 1.313(6) . ?
C9 C10 1.514(7) . ?
C9 C12 1.531(7) . ?
C9 C11 1.528(7) . ?
C9 C8 1.528(7) . ?
O2 C1 1.259(6) . ?
O9 Tb1 2.371(4) 2_566 ?
C2 C4 1.532(7) . ?
C2 C7 1.551(7) 2_566 ?
C2 C1 1.510(7) . ?
C2 C3 1.541(7) . ?
C12 C13 1.480(8) . ?
C7 C2 1.551(7) 2_566 ?
C7 C6 1.523(7) . ?
C8 O10 1.266(6) 2_666 ?
C14 C13 1.498(7) 2_656 ?
C6 C5 1.489(7) . ?
C13 C14 1.498(7) 2_656 ?

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
Tb2 Tb1 Tb2 115.716(12) . 2_566 ?
Tb2 Tb1 Tb2 62.772(11) . 2_666 ?
Tb2 Tb1 Tb2 139.848(11) 2_666 2_566 ?
O7 Tb1 Tb2 122.20(9) . . ?
O7 Tb1 Tb2 68.99(8) . 2_666 ?
O7 Tb1 Tb2 121.55(9) . 2_566 ?
O7 Tb1 O11 75.60(12) . . ?
O7 Tb1 O5 91.87(13) . . ?
O7 Tb1 O8 81.75(12) . . ?
O7 Tb1 O1 88.86(13) . 2_566 ?
O7 Tb1 O3 77.73(12) . . ?
O7 Tb1 O9 148.57(12) . 2_566 ?
O7 Tb1 O9 143.85(12) . . ?
O11 Tb1 Tb2 66.38(9) . 2_566 ?
O11 Tb1 Tb2 138.48(10) . . ?
O11 Tb1 Tb2 144.03(9) . 2_666 ?
O5 Tb1 Tb2 109.91(9) . 2_566 ?
O5 Tb1 Tb2 75.41(9) . . ?
O5 Tb1 Tb2 108.12(9) . 2_666 ?
O5 Tb1 O11 66.21(13) . . ?
O5 Tb1 O8 74.58(12) . . ?
O5 Tb1 O1 139.01(12) . 2_566 ?
O5 Tb1 O3 144.17(12) . . ?
O5 Tb1 O9 103.58(13) . . ?
O5 Tb1 O9 84.90(12) . 2_566 ?
O8 Tb1 Tb2 40.46(8) . . ?
O8 Tb1 Tb2 35.70(8) . 2_666 ?
O8 Tb1 Tb2 155.26(8) . 2_566 ?
O8 Tb1 O11 133.43(12) . . ?
O8 Tb1 O3 70.06(12) . . ?
O8 Tb1 O9 126.79(12) . 2_566 ?
O8 Tb1 O9 71.53(11) . . ?
O1 Tb1 Tb2 136.13(9) 2_566 . ?
O1 Tb1 Tb2 110.29(8) 2_566 2_666 ?
O1 Tb1 Tb2 39.93(8) 2_566 2_566 ?
O1 Tb1 O11 74.37(12) 2_566 . ?
O1 Tb1 O8 145.67(12) 2_566 . ?
O1 Tb1 O3 75.70(11) 2_566 . ?
O1 Tb1 O9 99.55(12) 2_566 . ?
O1 Tb1 O9 73.94(12) 2_566 2_566 ?
O3 Tb1 Tb2 81.41(8) . . ?
O3 Tb1 Tb2 36.12(8) . 2_666 ?
O3 Tb1 Tb2 104.64(8) . 2_566 ?
O3 Tb1 O11 139.89(13) . . ?
O9 Tb1 Tb2 34.39(8) 2_566 2_566 ?
O9 Tb1 Tb2 75.14(8) . 2_666 ?
O9 Tb1 Tb2 87.25(8) 2_566 . ?
O9 Tb1 Tb2 83.87(8) . 2_566 ?
O9 Tb1 Tb2 141.45(9) 2_566 2_666 ?
O9 Tb1 Tb2 36.96(8) . . ?
O9 Tb1 O11 74.52(12) 2_566 . ?
O9 Tb1 O11 140.54(12) . . ?
O9 Tb1 O3 121.19(12) 2_566 . ?
O9 Tb1 O3 70.61(12) . . ?
O9 Tb1 O9 66.48(13) 2_566 . ?
Tb1 Tb2 Tb1 64.284(12) . 2_566 ?
Tb1 Tb2 Tb1 117.228(11) . 2_666 ?
Tb1 Tb2 Tb1 139.848(11) 2_666 2_566 ?
O6 Tb2 Tb1 131.56(11) . 2_666 ?
O6 Tb2 Tb1 87.16(11) . 2_566 ?
O6 Tb2 Tb1 65.16(11) . . ?
O6 Tb2 O8 139.86(13) . 2_666 ?
O6 Tb2 O8 70.27(13) . . ?
O6 Tb2 O1 75.05(13) . . ?
O6 Tb2 O10 141.76(13) . . ?
O6 Tb2 O3 97.39(14) . 2_666 ?
O6 Tb2 O2 71.44(13) . . ?
O6 Tb2 O9 93.88(14) . . ?
O6 Tb2 C1 70.72(15) . . ?
O8 Tb2 Tb1 88.34(8) 2_666 . ?
O8 Tb2 Tb1 38.18(7) . . ?
O8 Tb2 Tb1 36.49(8) 2_666 2_666 ?
O8 Tb2 Tb1 102.09(7) . 2_566 ?
O8 Tb2 Tb1 108.75(8) 2_666 2_566 ?
O8 Tb2 Tb1 85.28(7) . 2_666 ?
O8 Tb2 O8 70.43(13) 2_666 . ?
O8 Tb2 O1 126.70(11) . . ?
O8 Tb2 O1 137.92(11) 2_666 . ?
O8 Tb2 O10 77.83(12) 2_666 . ?
O8 Tb2 O2 142.54(12) 2_666 . ?
O8 Tb2 C1 149.40(13) 2_666 . ?
O8 Tb2 C1 138.77(13) . . ?
O1 Tb2 Tb1 146.74(8) . 2_666 ?
O1 Tb2 Tb1 36.48(8) . 2_566 ?
O1 Tb2 Tb1 90.61(8) . . ?
O1 Tb2 C1 26.64(12) . . ?
O10 Tb2 Tb1 71.24(8) . 2_666 ?
O10 Tb2 Tb1 139.05(8) . . ?
O10 Tb2 Tb1 83.85(8) . 2_566 ?
O10 Tb2 O8 147.97(12) . . ?
O10 Tb2 O1 75.77(11) . . ?
O10 Tb2 C1 72.07(13) . . ?
O3 Tb2 Tb1 126.21(9) 2_666 . ?
O3 Tb2 Tb1 169.51(9) 2_666 2_566 ?
O3 Tb2 Tb1 39.06(9) 2_666 2_666 ?
O3 Tb2 O8 88.36(12) 2_666 . ?
O3 Tb2 O8 73.66(12) 2_666 2_666 ?
O3 Tb2 O1 135.85(12) 2_666 . ?
O3 Tb2 O10 86.77(12) 2_666 . ?
O3 Tb2 O2 83.80(12) 2_666 . ?
O3 Tb2 O9 152.40(13) 2_666 . ?
O3 Tb2 C1 109.42(13) 2_666 . ?
O2 Tb2 Tb1 129.01(8) . . ?
O2 Tb2 Tb1 88.74(8) . 2_566 ?
O2 Tb2 Tb1 111.18(8) . 2_666 ?
O2 Tb2 O8 139.47(12) . . ?
O2 Tb2 O1 52.32(11) . . ?
O2 Tb2 O10 71.27(12) . . ?
O2 Tb2 C1 25.68(13) . . ?
O9 Tb2 Tb1 35.37(9) . 2_566 ?
O9 Tb2 Tb1 39.65(9) . . ?
O9 Tb2 Tb1 117.91(9) . 2_666 ?
O9 Tb2 O8 71.88(12) . . ?
O9 Tb2 O8 81.48(12) . 2_666 ?
O9 Tb2 O1 71.48(12) . . ?
O9 Tb2 O10 99.73(12) . . ?
O9 Tb2 O2 123.74(12) . . ?
O9 Tb2 C1 98.07(13) . . ?
C1 Tb2 Tb1 131.85(10) . 2_666 ?
C1 Tb2 Tb1 63.10(10) . 2_566 ?
C1 Tb2 Tb1 110.90(10) . . ?
C8 O7 Tb1 141.4(3) . . ?
C14 O5 Tb1 126.4(3) . . ?
C14 O6 Tb2 146.6(4) . . ?
Tb1 O8 Tb2 101.37(12) . . ?
Tb2 O8 Tb1 107.81(14) 2_666 . ?
Tb2 O8 Tb2 109.57(13) 2_666 . ?
Tb1 O1 Tb2 103.59(13) 2_566 . ?
C1 O1 Tb1 164.7(3) . 2_566 ?
C1 O1 Tb2 91.5(3) . . ?
C8 O10 Tb2 131.6(3) 2_666 . ?
Tb2 O3 Tb1 104.81(13) 2_666 . ?
C5 O3 Tb1 123.2(3) . . ?
C5 O3 Tb2 131.2(3) . 2_666 ?
C10 C9 C12 112.0(5) . . ?
C10 C9 C11 107.6(5) . . ?
C10 C9 C8 113.2(4) . . ?
C11 C9 C12 107.6(5) . . ?
C8 C9 C12 107.6(4) . . ?
C8 C9 C11 108.6(4) . . ?
C1 O2 Tb2 97.9(3) . . ?
Tb1 O9 Tb1 113.52(13) 2_566 . ?
Tb2 O9 Tb1 103.39(13) . . ?
Tb2 O9 Tb1 110.23(15) . 2_566 ?
C4 C2 C7 106.8(4) . 2_566 ?
C4 C2 C3 110.0(5) . . ?
C1 C2 C4 105.2(4) . . ?
C1 C2 C7 113.9(4) . 2_566 ?
C1 C2 C3 109.8(4) . . ?
C3 C2 C7 110.9(4) . 2_566 ?
C13 C12 C9 112.3(5) . . ?
C6 C7 C2 116.2(4) . 2_566 ?
O1 C1 Tb2 61.8(3) . . ?
O1 C1 C2 122.2(4) . . ?
O2 C1 Tb2 56.4(3) . . ?
O2 C1 O1 118.2(5) . . ?
O2 C1 C2 119.5(5) . . ?
C2 C1 Tb2 175.3(3) . . ?
O7 C8 O10 122.8(5) . 2_666 ?
O7 C8 C9 117.4(4) . . ?
O10 C8 C9 119.9(4) 2_666 . ?
O5 C14 C13 116.6(5) . 2_656 ?
O6 C14 O5 124.6(5) . . ?
O6 C14 C13 118.9(5) . 2_656 ?
C5 C6 C7 116.1(5) . . ?
O4 C5 O3 122.4(5) . . ?
O4 C5 C6 121.8(5) . . ?
O3 C5 C6 115.8(5) . . ?
C12 C13 C14 117.7(5) . 2_656 ?

_olex2_submission_special_instructions 'No special instructions were received'
####################################################################### 
# 
# 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_p130914i
_database_code_depnum_ccdc_archive 'CCDC 1038140'
_audit_update_record             
;
2014-12-16 deposited with the CCDC.
2015-02-11 downloaded from the CCDC.
;
_audit_creation_date             2014-12-16
_audit_creation_method           
;
Olex2 1.2
(compiled 2014.11.28 svn.r3106 for OlexSys, GUI svn.r4959)
;
_chemical_name_common            ?
_chemical_name_systematic        
;
 ? 
;
_chemical_formula_moiety         'C14 H22 Dy2 O11, H2 O'
_chemical_formula_sum            'C14 H24 Dy2 O12'
_chemical_formula_weight         709.33
_chemical_melting_point          ?
_chemical_oxdiff_formula         C1DY1
_chemical_oxdiff_usercomment     130911
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'
Dy Dy -0.1892 4.4098 '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'

_space_group_crystal_system      triclinic
_space_group_IT_number           2
_space_group_name_H-M_alt        'P -1'
_space_group_name_Hall           '-P 1'
loop_
_space_group_symop_id
_space_group_symop_operation_xyz
1 'x, y, z'
2 '-x, -y, -z'

_cell_length_a                   7.1628(5)
_cell_length_b                   9.9371(6)
_cell_length_c                   14.9972(10)
_cell_angle_alpha                71.520(6)
_cell_angle_beta                 83.425(6)
_cell_angle_gamma                75.425(6)
_cell_volume                     979.13(11)
_cell_formula_units_Z            2
_cell_measurement_reflns_used    4316
_cell_measurement_temperature    127.8(2)
_cell_measurement_theta_max      28.6850
_cell_measurement_theta_min      3.7790
_exptl_absorpt_coefficient_mu    7.632
_exptl_absorpt_correction_T_max  1.00000
_exptl_absorpt_correction_T_min  0.42370
_exptl_absorpt_correction_type   multi-scan
_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) Empirical absorption correction using spherical harmonics, implemented in SCALE3 ABSPACK scaling algorithm.'
_exptl_crystal_colour            White
_exptl_crystal_density_diffrn    2.406
_exptl_crystal_density_meas      ?
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       Rectangular
_exptl_crystal_F_000             672
_exptl_crystal_size_max          0.2
_exptl_crystal_size_mid          0.12
_exptl_crystal_size_min          0.1
_exptl_special_details           
;
 ? 
;
_diffrn_reflns_av_R_equivalents  0.0569
_diffrn_reflns_av_unetI/netI     0.0662
_diffrn_reflns_limit_h_max       8
_diffrn_reflns_limit_h_min       -8
_diffrn_reflns_limit_k_max       11
_diffrn_reflns_limit_k_min       -11
_diffrn_reflns_limit_l_max       17
_diffrn_reflns_limit_l_min       -17
_diffrn_reflns_number            6809
_diffrn_reflns_theta_full        25.01
_diffrn_reflns_theta_max         25.01
_diffrn_reflns_theta_min         2.87
_diffrn_ambient_temperature      127.8(2)
_diffrn_detector_area_resol_mean 16.2116
_diffrn_measured_fraction_theta_full 0.999
_diffrn_measured_fraction_theta_max 0.999
_diffrn_measurement_details      
;
#__ type_ start__ end____ width___ exp.time_
  1 omega  -12.00   88.00   1.0000    5.0000
omega____ theta____ kappa____ phi______ frames
    -       18.0372   77.0000  -30.0000 100

#__ type_ start__ end____ width___ exp.time_
  2 omega    1.00   49.00   1.0000    5.0000
omega____ theta____ kappa____ phi______ frames
    -       18.0372   57.0000   90.0000 48

#__ type_ start__ end____ width___ exp.time_
  3 omega   -5.00   31.00   1.0000    5.0000
omega____ theta____ kappa____ phi______ frames
    -       18.0372   90.0000  113.0000 36

#__ type_ start__ end____ width___ exp.time_
  4 omega  -49.00   38.00   1.0000    5.0000
omega____ theta____ kappa____ phi______ frames
    -       18.0372  -57.0000 -150.0000 87

#__ type_ start__ end____ width___ exp.time_
  5 omega  -22.00   46.00   1.0000    5.0000
omega____ theta____ kappa____ phi______ frames
    -      -18.8185   77.0000   90.0000 68

#__ type_ start__ end____ width___ exp.time_
  6 omega  -83.00  -17.00   1.0000    5.0000
omega____ theta____ kappa____ phi______ frames
    -      -18.8185  -57.0000  150.0000 66
;
_diffrn_measurement_device_type  'SuperNova, Single source at offset, Eos'
_diffrn_measurement_method       'ω scans'
_diffrn_orient_matrix_UB_11      0.0723546000
_diffrn_orient_matrix_UB_12      0.0065552000
_diffrn_orient_matrix_UB_13      0.0259186000
_diffrn_orient_matrix_UB_21      -0.0165598000
_diffrn_orient_matrix_UB_22      -0.0612193000
_diffrn_orient_matrix_UB_23      0.0373608000
_diffrn_orient_matrix_UB_31      0.0705314000
_diffrn_orient_matrix_UB_32      -0.0467491000
_diffrn_orient_matrix_UB_33      -0.0205585000
_diffrn_radiation_monochromator  mirror
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_source                   'SuperNova (Mo) X-ray Source'
_diffrn_standards_decay_%        ?
_diffrn_standards_interval_count ?
_diffrn_standards_interval_time  ?
_diffrn_standards_number         ?
_reflns_number_gt                3037
_reflns_number_total             3451
_reflns_odcompleteness_completeness 99.83
_reflns_odcompleteness_iscentric 1
_reflns_odcompleteness_theta     26.32
_reflns_threshold_expression     >2sigma(I)
_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_collection       
'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_molecular_graphics    'Olex2 (Dolomanov et al., 2009)'
_computing_publication_material  'Olex2 (Dolomanov et al., 2009)'
_computing_structure_refinement  'XL (Sheldrick, 2008)'
_computing_structure_solution    'XS (Sheldrick, 2008)'
_refine_diff_density_max         2.979
_refine_diff_density_min         -2.326
_refine_diff_density_rms         0.283
_refine_ls_extinction_coef       ?
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.046
_refine_ls_hydrogen_treatment    mixed
_refine_ls_matrix_type           full
_refine_ls_number_parameters     268
_refine_ls_number_reflns         3451
_refine_ls_number_restraints     24
_refine_ls_R_factor_all          0.0441
_refine_ls_R_factor_gt           0.0392
_refine_ls_restrained_S_all      1.044
_refine_ls_shift/su_max          0.001
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details     
'calc w=1/[σ²(Fo²)+(0.0482P)²+0.0000P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0947
_refine_ls_wR_factor_ref         0.1007
_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. 
;
_olex2_refinement_description    
;
1. Fixed Uiso
 At 1.2 times of:
  All C(H,H) groups
 At 1.5 times of:
  All C(H,H,H) groups, All O(H,H) groups
2. Uiso/Uaniso restraints and constraints
Uanis(C3) \\sim Ueq: with sigma of 0.05 and sigma for terminal atoms of 0.1
Uanis(C3) \\sim Ueq: with sigma of 0.005 and sigma for terminal atoms of 0.01
Uanis(C1) \\sim Ueq: with sigma of 0.01 and sigma for terminal atoms of 0.02
Uanis(O9) \\sim Ueq: with sigma of 0.001 and sigma for terminal atoms of 0.002
3.a Free rotating group:
 O12(H12C,H12D)
3.b Secondary CH2 refined with riding coordinates:
 C5(H5A,H5B), C6(H6A,H6B), C13(H13A,H13B), C12(H12A,H12B)
3.c Idealised Me refined as rotating group:
 C10(H10A,H10B,H10C), C4(H4A,H4B,H4C), C11(H11C,H11D,H11E), C3(H3A,H3B,H3C)
;
_atom_sites_solution_hydrogens   geom
_atom_sites_solution_primary     direct
_atom_sites_solution_secondary   difmap
loop_
_atom_site_label
_atom_site_type_symbol
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_U_iso_or_equiv
_atom_site_adp_type
_atom_site_occupancy
_atom_site_calc_flag
_atom_site_disorder_assembly
_atom_site_disorder_group
_atom_site_refinement_flags_posn
_atom_site_refinement_flags_adp
Dy1 Dy 0.88959(5) 0.55668(3) 0.37694(2) 0.00690(13) Uani 1 d . . . .
Dy2 Dy 1.33642(5) 0.66927(3) 0.40854(2) 0.00683(13) Uani 1 d . . . .
O10 O 1.0280(7) 0.6391(5) 0.4745(3) 0.0104(11) Uani 1 d . . . .
O9 O 0.6312(7) 0.5777(5) 0.4857(3) 0.0094(11) Uani 1 d . . . U
O4 O 1.4179(8) 0.3128(5) 0.3351(4) 0.0185(12) Uani 1 d . . . .
O5 O 0.8613(7) 0.8113(5) 0.2888(3) 0.0121(11) Uani 1 d . . . .
O11 O 1.4954(8) 0.8758(5) 0.3650(4) 0.0148(12) Uani 1 d . . . .
O2 O 0.8523(7) 0.5886(5) 0.2129(3) 0.0132(11) Uani 1 d . . . .
C2 C 0.5704(11) 0.6541(7) 0.1237(5) 0.0097(15) Uani 1 d . . . .
C10 C 0.7267(12) 1.0858(8) 0.1668(6) 0.0214(19) Uani 1 d . . . .
H10A H 0.7122 1.0169 0.1369 0.032 Uiso 1 calc . . GR .
H10B H 0.7033 1.1817 0.1225 0.032 Uiso 1 calc . . GR .
H10C H 0.6358 1.0844 0.2192 0.032 Uiso 1 calc . . GR .
C7 C 1.3261(11) 0.4314(7) 0.2914(5) 0.0122(16) Uani 1 d . . . .
O3 O 1.2132(7) 0.5226(5) 0.3340(3) 0.0100(11) Uani 1 d . . . .
O1 O 0.5776(7) 0.6254(5) 0.2920(3) 0.0106(11) Uani 1 d . . . .
C1 C 0.6726(11) 0.6173(7) 0.2138(5) 0.0112(16) Uani 1 d . . . U
O8 O 0.8544(8) 0.3446(5) 0.3615(4) 0.0190(13) Uani 1 d . . . .
C5 C 0.3616(10) 0.6355(7) 0.1385(5) 0.0107(15) Uani 1 d . . . .
H5A H 0.2913 0.6975 0.1757 0.013 Uiso 1 calc . . R .
H5B H 0.3039 0.6718 0.0775 0.013 Uiso 1 calc . . R .
C6 C 1.3294(11) 0.4815(8) 0.1862(5) 0.0137(16) Uani 1 d . . . .
H6A H 1.2078 0.4769 0.1661 0.016 Uiso 1 calc . . R .
H6B H 1.4307 0.4134 0.1636 0.016 Uiso 1 calc . . R .
C8 C 0.9856(11) 0.8881(7) 0.2646(5) 0.0119(16) Uani 1 d . . . .
C14 C 1.1814(11) 0.7766(7) 0.5960(5) 0.0129(16) Uani 1 d . . . .
C9 C 0.9301(11) 1.0453(7) 0.2014(5) 0.0124(16) Uani 1 d . . . .
C4 C 0.5645(12) 0.8154(7) 0.0758(5) 0.0178(18) Uani 1 d . . . .
H4A H 0.4895 0.8716 0.1145 0.027 Uiso 1 calc . . GR .
H4B H 0.5067 0.8456 0.0158 0.027 Uiso 1 calc . . GR .
H4C H 0.6935 0.8303 0.0669 0.027 Uiso 1 calc . . GR .
C11 C 1.0714(13) 1.0628(8) 0.1159(6) 0.025(2) Uani 1 d . . . .
H11C H 1.0701 0.9920 0.0850 0.037 Uiso 1 calc . . GR .
H11D H 1.1992 1.0484 0.1363 0.037 Uiso 1 calc . . GR .
H11E H 1.0334 1.1590 0.0730 0.037 Uiso 1 calc . . GR .
C13 C 1.1409(12) 0.8915(8) 0.6456(5) 0.0185(18) Uani 1 d . . . .
H13A H 1.0592 0.9788 0.6064 0.022 Uiso 1 calc . . R .
H13B H 1.2622 0.9150 0.6503 0.022 Uiso 1 calc . . R .
C12 C 0.9538(12) 1.1454(8) 0.2576(6) 0.0195(18) Uani 1 d . . . .
H12A H 1.0902 1.1367 0.2632 0.023 Uiso 1 calc . . R .
H12B H 0.8976 1.2458 0.2234 0.023 Uiso 1 calc . . R .
C3 C 0.6888(11) 0.5650(8) 0.0606(5) 0.0200(18) Uani 1 d . . . U
H3A H 0.8152 0.5850 0.0478 0.030 Uiso 1 calc . . GR .
H3B H 0.6251 0.5915 0.0025 0.030 Uiso 1 calc . . GR .
H3C H 0.7000 0.4630 0.0921 0.030 Uiso 1 calc . . GR .
O6 O 1.1557(7) 0.8439(5) 0.2929(3) 0.0110(11) Uani 1 d . . . .
O7 O 1.2539(7) 0.8113(5) 0.5125(4) 0.0149(12) Uani 1 d . . . .
O12 O 1.7165(9) 0.8776(6) 0.5155(4) 0.0214(13) Uani 1 d . . . .
H12C H 1.6917 0.9614 0.5234 0.032 Uiso 1 d . . G .
H12D H 1.6912 0.8156 0.5665 0.032 Uiso 1 d . . G .
H11A H 1.539(15) 0.897(10) 0.409(8) 0.05(3) Uiso 1 d . . . .
H11B H 1.589(15) 0.872(9) 0.311(7) 0.04(3) Uiso 1 d . . . .


_geom_special_details            
;
 All esds (except the esd in the dihedral angle between two l.s. planes) 
 are estimated using the full covariance matrix.  The cell esds are taken 
 into account individually in the estimation of esds in distances, angles 
 and torsion angles; correlations between esds in cell parameters are only 
 used when they are defined by crystal symmetry.  An approximate (isotropic) 
 treatment of cell esds is used for estimating esds involving l.s. planes. 
;
loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_site_symmetry_2
_geom_bond_publ_flag
Dy1 Dy2 3.7510(5) 2_766 ?
Dy1 Dy2 3.8536(5) 1_455 ?
Dy1 Dy2 3.7690(5) . ?
Dy1 O10 2.464(5) 2_766 ?
Dy1 O10 2.302(5) . ?
Dy1 O9 2.337(5) . ?
Dy1 O5 2.423(5) . ?
Dy1 O2 2.416(5) . ?
Dy1 O3 2.303(5) . ?
Dy1 O1 2.533(5) . ?
Dy1 C1 2.869(7) . ?
Dy1 O8 2.269(5) . ?
Dy2 Dy1 3.7510(6) 2_766 ?
Dy2 Dy1 3.8536(5) 1_655 ?
Dy2 Dy2 3.9985(7) 2_866 ?
Dy2 O10 2.365(5) . ?
Dy2 O9 2.356(5) 1_655 ?
Dy2 O9 2.433(5) 2_766 ?
Dy2 O11 2.468(5) . ?
Dy2 O3 2.461(5) . ?
Dy2 O1 2.375(5) 1_655 ?
Dy2 O6 2.274(4) . ?
Dy2 O7 2.353(5) . ?
O10 Dy1 2.464(5) 2_766 ?
O9 Dy2 2.356(5) 1_455 ?
O9 Dy2 2.433(5) 2_766 ?
O4 C7 1.212(8) . ?
O5 C8 1.264(9) . ?
O2 C1 1.246(9) . ?
C2 C1 1.507(9) . ?
C2 C5 1.535(10) . ?
C2 C4 1.526(10) . ?
C2 C3 1.539(10) . ?
C10 C9 1.516(10) . ?
C7 O3 1.328(8) . ?
C7 C6 1.497(10) . ?
O1 Dy2 2.375(5) 1_455 ?
O1 C1 1.302(9) . ?
O8 C14 1.246(8) 2_766 ?
C5 C6 1.533(10) 1_455 ?
C6 C5 1.533(10) 1_655 ?
C8 C9 1.527(9) . ?
C8 O6 1.260(8) . ?
C14 O8 1.246(9) 2_766 ?
C14 C13 1.504(10) . ?
C14 O7 1.275(9) . ?
C9 C11 1.532(11) . ?
C9 C12 1.543(10) . ?
C13 C12 1.505(11) 2_776 ?
C12 C13 1.505(11) 2_776 ?

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
Dy2 Dy1 Dy2 63.428(11) 2_766 1_455 ?
Dy2 Dy1 Dy2 117.546(11) 2_766 . ?
Dy2 Dy1 Dy2 139.991(12) . 1_455 ?
O10 Dy1 Dy2 38.10(11) 2_766 2_766 ?
O10 Dy1 Dy2 88.29(12) . 2_766 ?
O10 Dy1 Dy2 36.71(13) . . ?
O10 Dy1 Dy2 101.14(12) 2_766 1_455 ?
O10 Dy1 Dy2 108.56(12) . 1_455 ?
O10 Dy1 Dy2 85.60(11) 2_766 . ?
O10 Dy1 O10 70.27(17) . 2_766 ?
O10 Dy1 O9 81.56(17) . . ?
O10 Dy1 O5 77.85(16) . . ?
O10 Dy1 O2 142.25(17) . . ?
O10 Dy1 O3 73.98(17) . . ?
O10 Dy1 O1 126.11(16) 2_766 . ?
O10 Dy1 O1 138.17(15) . . ?
O10 Dy1 C1 149.56(17) . . ?
O10 Dy1 C1 138.77(18) 2_766 . ?
O9 Dy1 Dy2 39.07(11) . 2_766 ?
O9 Dy1 Dy2 34.96(12) . 1_455 ?
O9 Dy1 Dy2 118.21(12) . . ?
O9 Dy1 O10 71.24(16) . 2_766 ?
O9 Dy1 O5 99.96(17) . . ?
O9 Dy1 O2 123.82(17) . . ?
O9 Dy1 O1 71.42(16) . . ?
O9 Dy1 C1 98.4(2) . . ?
O5 Dy1 Dy2 71.14(12) . . ?
O5 Dy1 Dy2 84.30(13) . 1_455 ?
O5 Dy1 Dy2 138.71(12) . 2_766 ?
O5 Dy1 O10 147.77(16) . 2_766 ?
O5 Dy1 O1 76.17(16) . . ?
O5 Dy1 C1 72.16(17) . . ?
O2 Dy1 Dy2 89.19(12) . 1_455 ?
O2 Dy1 Dy2 110.75(12) . . ?
O2 Dy1 Dy2 129.31(12) . 2_766 ?
O2 Dy1 O10 140.14(15) . 2_766 ?
O2 Dy1 O5 70.92(16) . . ?
O2 Dy1 O1 52.43(16) . . ?
O2 Dy1 C1 25.5(2) . . ?
O3 Dy1 Dy2 39.21(12) . . ?
O3 Dy1 Dy2 169.99(11) . 1_455 ?
O3 Dy1 Dy2 126.58(11) . 2_766 ?
O3 Dy1 O10 88.85(16) . 2_766 ?
O3 Dy1 O9 152.65(17) . . ?
O3 Dy1 O5 86.85(17) . . ?
O3 Dy1 O2 83.49(17) . . ?
O3 Dy1 O1 135.75(16) . . ?
O3 Dy1 C1 108.9(2) . . ?
O1 Dy1 Dy2 147.02(11) . . ?
O1 Dy1 Dy2 36.84(11) . 1_455 ?
O1 Dy1 Dy2 90.09(11) . 2_766 ?
O1 Dy1 C1 26.98(19) . . ?
C1 Dy1 Dy2 110.91(15) . 2_766 ?
C1 Dy1 Dy2 63.80(16) . 1_455 ?
C1 Dy1 Dy2 131.53(15) . . ?
O8 Dy1 Dy2 88.33(15) . 1_455 ?
O8 Dy1 Dy2 130.37(14) . . ?
O8 Dy1 Dy2 66.73(15) . 2_766 ?
O8 Dy1 O10 139.97(16) . . ?
O8 Dy1 O10 70.98(17) . 2_766 ?
O8 Dy1 O9 95.25(19) . . ?
O8 Dy1 O5 141.24(17) . . ?
O8 Dy1 O2 70.97(17) . . ?
O8 Dy1 O3 95.68(19) . . ?
O8 Dy1 O1 75.31(17) . . ?
O8 Dy1 C1 70.47(18) . . ?
Dy1 Dy2 Dy1 116.572(11) 2_766 1_655 ?
Dy1 Dy2 Dy1 62.454(11) 2_766 . ?
Dy1 Dy2 Dy1 139.991(12) . 1_655 ?
Dy1 Dy2 Dy2 59.538(11) 2_766 2_866 ?
Dy1 Dy2 Dy2 57.035(11) 1_655 2_866 ?
Dy1 Dy2 Dy2 107.719(14) . 2_866 ?
O10 Dy2 Dy1 155.61(10) . 1_655 ?
O10 Dy2 Dy1 40.00(11) . 2_766 ?
O10 Dy2 Dy1 35.58(12) . . ?
O10 Dy2 Dy2 99.15(11) . 2_866 ?
O10 Dy2 O9 71.32(16) . 2_766 ?
O10 Dy2 O11 133.30(17) . . ?
O10 Dy2 O3 70.03(17) . . ?
O10 Dy2 O1 145.62(17) . 1_655 ?
O9 Dy2 Dy1 34.63(12) 1_655 1_655 ?
O9 Dy2 Dy1 37.25(12) 2_766 2_766 ?
O9 Dy2 Dy1 74.99(12) 2_766 . ?
O9 Dy2 Dy1 84.41(12) 2_766 1_655 ?
O9 Dy2 Dy1 87.80(12) 1_655 2_766 ?
O9 Dy2 Dy1 141.63(11) 1_655 . ?
O9 Dy2 Dy2 34.01(11) 1_655 2_866 ?
O9 Dy2 Dy2 32.79(12) 2_766 2_866 ?
O9 Dy2 O10 126.93(17) 1_655 . ?
O9 Dy2 O9 66.8(2) 1_655 2_766 ?
O9 Dy2 O11 140.92(17) 2_766 . ?
O9 Dy2 O11 74.60(16) 1_655 . ?
O9 Dy2 O3 70.43(16) 2_766 . ?
O9 Dy2 O3 121.17(15) 1_655 . ?
O9 Dy2 O1 73.99(17) 1_655 1_655 ?
O11 Dy2 Dy1 143.77(12) . . ?
O11 Dy2 Dy1 66.34(13) . 1_655 ?
O11 Dy2 Dy1 138.50(14) . 2_766 ?
O11 Dy2 Dy2 108.42(12) . 2_866 ?
O3 Dy2 Dy1 36.26(12) . . ?
O3 Dy2 Dy1 81.34(12) . 2_766 ?
O3 Dy2 Dy1 104.56(11) . 1_655 ?
O3 Dy2 Dy2 95.81(10) . 2_866 ?
O3 Dy2 O11 139.87(18) . . ?
O1 Dy2 Dy1 136.67(11) 1_655 2_766 ?
O1 Dy2 Dy1 39.75(11) 1_655 1_655 ?
O1 Dy2 Dy1 110.37(12) 1_655 . ?
O1 Dy2 Dy2 86.64(11) 1_655 2_866 ?
O1 Dy2 O9 99.83(16) 1_655 2_766 ?
O1 Dy2 O11 74.39(19) 1_655 . ?
O1 Dy2 O3 75.69(17) 1_655 . ?
O6 Dy2 Dy1 121.90(13) . 2_766 ?
O6 Dy2 Dy1 69.14(13) . . ?
O6 Dy2 Dy1 121.02(13) . 1_655 ?
O6 Dy2 Dy2 172.94(12) . 2_866 ?
O6 Dy2 O10 81.91(17) . . ?
O6 Dy2 O9 143.85(17) . 2_766 ?
O6 Dy2 O9 148.25(17) . 1_655 ?
O6 Dy2 O11 75.22(17) . . ?
O6 Dy2 O3 77.94(16) . . ?
O6 Dy2 O1 88.61(17) . 1_655 ?
O6 Dy2 O7 92.57(17) . . ?
O7 Dy2 Dy1 74.31(12) . 2_766 ?
O7 Dy2 Dy1 107.72(13) . . ?
O7 Dy2 Dy1 110.08(13) . 1_655 ?
O7 Dy2 Dy2 94.43(12) . 2_866 ?
O7 Dy2 O10 74.14(17) . . ?
O7 Dy2 O9 102.60(17) . 2_766 ?
O7 Dy2 O9 84.59(17) . 1_655 ?
O7 Dy2 O11 66.95(19) . . ?
O7 Dy2 O3 143.85(17) . . ?
O7 Dy2 O1 139.57(17) . 1_655 ?
Dy1 O10 Dy1 109.73(17) . 2_766 ?
Dy1 O10 Dy2 107.7(2) . . ?
Dy2 O10 Dy1 101.91(17) . 2_766 ?
Dy1 O9 Dy2 103.68(18) . 2_766 ?
Dy1 O9 Dy2 110.41(19) . 1_455 ?
Dy2 O9 Dy2 113.20(19) 1_455 2_766 ?
C8 O5 Dy1 131.2(5) . . ?
C1 O2 Dy1 98.0(4) . . ?
C1 C2 C5 114.0(6) . . ?
C1 C2 C4 104.7(6) . . ?
C1 C2 C3 110.0(6) . . ?
C5 C2 C3 110.9(6) . . ?
C4 C2 C5 107.8(6) . . ?
C4 C2 C3 109.1(6) . . ?
O4 C7 O3 122.0(7) . . ?
O4 C7 C6 121.8(7) . . ?
O3 C7 C6 116.2(6) . . ?
Dy1 O3 Dy2 104.53(19) . . ?
C7 O3 Dy1 131.3(4) . . ?
C7 O3 Dy2 123.5(4) . . ?
Dy2 O1 Dy1 103.41(17) 1_455 . ?
C1 O1 Dy1 91.0(4) . . ?
C1 O1 Dy2 165.2(4) . 1_455 ?
O2 C1 Dy1 56.5(4) . . ?
O2 C1 C2 119.9(7) . . ?
O2 C1 O1 118.4(6) . . ?
C2 C1 Dy1 175.7(5) . . ?
O1 C1 Dy1 62.0(3) . . ?
O1 C1 C2 121.5(7) . . ?
C14 O8 Dy1 145.1(5) 2_766 . ?
C6 C5 C2 117.7(6) 1_455 . ?
C7 C6 C5 116.2(6) . 1_655 ?
O5 C8 C9 120.0(7) . . ?
O6 C8 O5 123.4(6) . . ?
O6 C8 C9 116.5(6) . . ?
O8 C14 C13 119.0(7) 2_766 . ?
O8 C14 O7 124.7(7) 2_766 . ?
O7 C14 C13 116.3(6) . . ?
C10 C9 C8 112.6(6) . . ?
C10 C9 C11 108.6(6) . . ?
C10 C9 C12 111.0(6) . . ?
C8 C9 C11 108.1(6) . . ?
C8 C9 C12 107.7(6) . . ?
C11 C9 C12 108.8(7) . . ?
C14 C13 C12 116.8(6) . 2_776 ?
C13 C12 C9 112.3(7) 2_776 . ?
C8 O6 Dy2 141.1(5) . . ?
C14 O7 Dy2 128.2(4) . . ?

_olex2_submission_special_instructions 'No special instructions were received'
