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

#######################################################################
#
#                 Cambridge Crystallographic Data Centre
#                                CCDC 
# 
#######################################################################
# 
#  This CIF contains data from an original supplementary publication
#  deposited with the CCDC, and may include chemical, crystal,
#  experimental, refinement, atomic coordinates,
#  anisotropic displacement parameters and molecular geometry data,
#  as required by the journal to which it was submitted.
#
#  This CIF is provided on the understanding that it is used for bona
#  fide research purposes only. It may contain copyright material
#  of the CCDC or of third parties, and may not be copied or further
#  disseminated in any form, whether machine-readable or not,
#  except for the purpose of generating routine backup copies
#  on your local computer system.
# 
#  For further information on the CCDC, data deposition and
#  data retrieval see:
#                         www.ccdc.cam.ac.uk
#
#  Bona fide researchers may freely download Mercury and enCIFer
#  from this site to visualise CIF-encoded structures and 
#  to carry out CIF format checking respectively.
#
data_ssl9

_audit_creation_method           SHELXL-2013
_chemical_name_systematic        
; 
 ? 
;
_chemical_name_common            ?
_chemical_melting_point          ?
_chemical_formula_moiety         ?
_chemical_formula_sum            'C40 H62 Gd2'
_chemical_formula_weight         857.39

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'
Gd Gd -0.1653 3.9035 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'

_space_group_crystal_system      monoclinic
_space_group_IT_number           15
_space_group_name_H-M_alt        'C 2/c'
_space_group_name_Hall           '-C 2yc'

_shelx_space_group_comment       
; 
The symmetry employed for this shelxl refinement is uniquely defined 
by the following loop, which should always be used as a source of 
symmetry information in preference to the above space-group names. 
They are only intended as comments. 
;

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

_cell_length_a                   16.2167(13)
_cell_length_b                   14.1780(11)
_cell_length_c                   16.7183(13)
_cell_angle_alpha                90
_cell_angle_beta                 104.3396(8)
_cell_angle_gamma                90
_cell_volume                     3724.1(5)
_cell_formula_units_Z            4
_cell_measurement_temperature    143(2)
_cell_measurement_reflns_used    9980
_cell_measurement_theta_min      2.48
_cell_measurement_theta_max      28.20

_exptl_crystal_description       irregular
_exptl_crystal_colour            yellow
_exptl_crystal_density_meas      not_measured
_exptl_crystal_density_method    not_measured
_exptl_crystal_density_diffrn    1.529
_exptl_crystal_F_000             1720
_exptl_transmission_factor_min   ?
_exptl_transmission_factor_max   ?
_exptl_crystal_size_max          0.363
_exptl_crystal_size_mid          0.226
_exptl_crystal_size_min          0.144
_exptl_absorpt_coefficient_mu    3.555
_shelx_estimated_absorpt_T_min   0.359
_shelx_estimated_absorpt_T_max   0.629
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_correction_T_min  0.5971
_exptl_absorpt_correction_T_max  0.7457
_exptl_absorpt_process_details   'Bruker SADABS'

_exptl_special_details           
; 
 ? 
;

_diffrn_ambient_temperature      143(2)
_diffrn_radiation_wavelength     0.71073
_diffrn_radiation_type           MoK\a
_diffrn_source                   'fine-focus sealed tube'
_diffrn_measurement_device_type  'Bruker SMART APEX II CCD'
_diffrn_measurement_method       'φ and ω scans'
_diffrn_detector_area_resol_mean ?
_diffrn_reflns_number            21067
_diffrn_reflns_av_unetI/netI     0.0163
_diffrn_reflns_av_R_equivalents  0.0207
_diffrn_reflns_limit_h_min       -21
_diffrn_reflns_limit_h_max       21
_diffrn_reflns_limit_k_min       -18
_diffrn_reflns_limit_k_max       18
_diffrn_reflns_limit_l_min       -21
_diffrn_reflns_limit_l_max       21
_diffrn_reflns_theta_min         1.935
_diffrn_reflns_theta_max         28.427
_diffrn_reflns_theta_full        25.242
_diffrn_measured_fraction_theta_max 0.943
_diffrn_measured_fraction_theta_full 1.000
_diffrn_reflns_Laue_measured_fraction_max 0.943
_diffrn_reflns_Laue_measured_fraction_full 1.000
_diffrn_reflns_point_group_measured_fraction_max 0.943
_diffrn_reflns_point_group_measured_fraction_full 1.000
_reflns_number_total             4429
_reflns_number_gt                4071
_reflns_threshold_expression     'I > 2σ(I)'
_reflns_Friedel_coverage         0.000
_reflns_Friedel_fraction_max     .
_reflns_Friedel_fraction_full    .

_reflns_special_details          
; 
 Reflections were merged by SHELXL according to the crystal 
 class for the calculation of statistics and refinement. 
  
 _reflns_Friedel_fraction is defined as the number of unique 
 Friedel pairs measured divided by the number that would be 
 possible theoretically, ignoring centric projections and 
 systematic absences. 
;

_computing_data_collection       'Bruker APEX2 2011.4-1, 2011'
_computing_cell_refinement       'Bruker SAINT 7.68a, 2009'
_computing_data_reduction        'Bruker SAINT 7.68a, 2009'
_computing_structure_solution    'Bruker SHELXS 2013/1'
_computing_structure_refinement  'SHELXL-2013 (Sheldrick, 2013)'
_computing_molecular_graphics    'Bruker SHELXTL'
_computing_publication_material  'Bruker SHELXTL'

_refine_special_details          
; 
 A yellow crystal of approximate dimensions 0.144 x 0.226 x 0.363 mm was mounted on a glass 
 fiber and transferred to a Bruker SMART APEX II diffractometer.  The APEX2 program package
 was used to determine the unit-cell parameters and for data collection (20 sec/frame scan
 time for a sphere of diffraction data).  The raw frame data was processed using SAINT and
 SADABS to yield the reflection data file.  Subsequent calculations were carried out using
 the SHELXTL program.  The diffraction symmetry was 2/m and the systematic absences were
 consistent with the monoclinic space groups Cc and C2/c.  It was later determined that
 space group C2/c was correct.

 The structure was solved using the coordinates of the terbium analogue and refined on F2
 by full-matrix least-squares techniques.  The analytical scattering factors for neutral
 atoms were used throughout the analysis.  The molecule was located on a two-fold rotation
 axis.  The bridging hydrides could not be located and were not included in the refinement.
 The remaining hydrogen atoms were included using a riding model.

 At convergence, wR2 = 0.0677 and Goof = 1.106 for 201 variables refined against 4429 data
 (0.75), R1 = 0.0269 for those 4071 data with I > 2.0sigma(I).
;

_refine_ls_structure_factor_coef Fsqd
_refine_ls_matrix_type           full
_refine_ls_weighting_scheme      calc
_refine_ls_weighting_details     
'w=1/[σ²(Fo²)+(0.0306P)²+14.5662P] 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_number_reflns         4429
_refine_ls_number_parameters     201
_refine_ls_number_restraints     0
_refine_ls_R_factor_all          0.0300
_refine_ls_R_factor_gt           0.0269
_refine_ls_wR_factor_ref         0.0677
_refine_ls_wR_factor_gt          0.0661
_refine_ls_goodness_of_fit_ref   1.106
_refine_ls_restrained_S_all      1.106
_refine_ls_shift/su_max          0.008
_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_site_symmetry_order
_atom_site_calc_flag
_atom_site_refinement_flags_posn
_atom_site_refinement_flags_adp
_atom_site_refinement_flags_occupancy
_atom_site_disorder_assembly
_atom_site_disorder_group
Gd1 Gd 0.0000 0.40526(2) 0.2500 0.02767(7) Uani 1 2 d S T P . .
Gd2 Gd 0.0000 0.13486(2) 0.2500 0.02262(7) Uani 1 2 d S T P . .
C1 C 0.1608(2) 0.4666(2) 0.3160(2) 0.0293(7) Uani 1 1 d . . . . .
C2 C 0.1190(2) 0.5463(2) 0.2729(2) 0.0362(8) Uani 1 1 d . . . . .
C3 C 0.0986(2) 0.5245(3) 0.1868(2) 0.0400(8) Uani 1 1 d . . . . .
C4 C 0.1288(2) 0.4330(3) 0.1779(2) 0.0324(7) Uani 1 1 d . . . . .
C5 C 0.1678(2) 0.3978(2) 0.2571(2) 0.0277(6) Uani 1 1 d . . . . .
C6 C 0.1987(3) 0.4633(3) 0.4073(2) 0.0462(10) Uani 1 1 d . . . . .
H6A H 0.2376 0.5167 0.4237 0.069 Uiso 1 1 calc R U . . .
H6B H 0.2302 0.4041 0.4217 0.069 Uiso 1 1 calc R U . . .
H6C H 0.1532 0.4668 0.4364 0.069 Uiso 1 1 calc R U . . .
C7 C 0.1166(3) 0.6419(3) 0.3103(4) 0.0659(16) Uani 1 1 d . . . . .
H7A H 0.1676 0.6773 0.3074 0.099 Uiso 1 1 calc R U . . .
H7B H 0.1147 0.6350 0.3682 0.099 Uiso 1 1 calc R U . . .
H7C H 0.0658 0.6758 0.2800 0.099 Uiso 1 1 calc R U . . .
C8 C 0.0619(3) 0.5898(4) 0.1159(4) 0.0705(17) Uani 1 1 d . . . . .
H8A H 0.1020 0.5961 0.0810 0.106 Uiso 1 1 calc R U . . .
H8B H 0.0518 0.6519 0.1375 0.106 Uiso 1 1 calc R U . . .
H8C H 0.0080 0.5640 0.0832 0.106 Uiso 1 1 calc R U . . .
C9 C 0.1263(3) 0.3846(4) 0.0970(3) 0.0569(13) Uani 1 1 d . . . . .
H9A H 0.1589 0.4215 0.0660 0.085 Uiso 1 1 calc R U . . .
H9B H 0.0671 0.3793 0.0648 0.085 Uiso 1 1 calc R U . . .
H9C H 0.1512 0.3214 0.1078 0.085 Uiso 1 1 calc R U . . .
C10 C 0.2141(3) 0.3052(3) 0.2760(3) 0.0435(9) Uani 1 1 d . . . . .
H10A H 0.2702 0.3103 0.2642 0.065 Uiso 1 1 calc R U . . .
H10B H 0.1812 0.2555 0.2416 0.065 Uiso 1 1 calc R U . . .
H10C H 0.2210 0.2896 0.3344 0.065 Uiso 1 1 calc R U . . .
C11 C 0.1243(2) 0.0753(2) 0.37798(18) 0.0262(6) Uani 1 1 d . . . . .
C12 C 0.0732(2) -0.0061(2) 0.35459(18) 0.0271(6) Uani 1 1 d . . . . .
C13 C -0.0060(2) 0.0101(2) 0.37320(18) 0.0277(6) Uani 1 1 d . . . . .
C14 C -0.0035(2) 0.1009(2) 0.40863(18) 0.0268(6) Uani 1 1 d . . . . .
C15 C 0.0775(2) 0.1410(2) 0.41293(18) 0.0259(6) Uani 1 1 d . . . . .
C16 C 0.2160(2) 0.0826(3) 0.3747(2) 0.0366(8) Uani 1 1 d . . . . .
H16A H 0.2493 0.0336 0.4096 0.055 Uiso 1 1 calc R U . . .
H16B H 0.2382 0.1449 0.3948 0.055 Uiso 1 1 calc R U . . .
H16C H 0.2201 0.0743 0.3176 0.055 Uiso 1 1 calc R U . . .
C17 C 0.1069(3) -0.0994(2) 0.3336(2) 0.0387(8) Uani 1 1 d . . . . .
H17A H 0.1339 -0.1329 0.3847 0.058 Uiso 1 1 calc R U . . .
H17B H 0.1489 -0.0887 0.3013 0.058 Uiso 1 1 calc R U . . .
H17C H 0.0599 -0.1374 0.3013 0.058 Uiso 1 1 calc R U . . .
C18 C -0.0767(2) -0.0595(3) 0.3701(2) 0.0383(8) Uani 1 1 d . . . . .
H18A H -0.0841 -0.0694 0.4259 0.057 Uiso 1 1 calc R U . . .
H18B H -0.0625 -0.1195 0.3478 0.057 Uiso 1 1 calc R U . . .
H18C H -0.1297 -0.0348 0.3346 0.057 Uiso 1 1 calc R U . . .
C19 C -0.0727(3) 0.1392(3) 0.4448(2) 0.0411(9) Uani 1 1 d . . . . .
H19A H -0.0839 0.0946 0.4856 0.062 Uiso 1 1 calc R U . . .
H19B H -0.1246 0.1482 0.4008 0.062 Uiso 1 1 calc R U . . .
H19C H -0.0546 0.1998 0.4716 0.062 Uiso 1 1 calc R U . . .
C20 C 0.1111(3) 0.2317(2) 0.4551(2) 0.0367(8) Uani 1 1 d . . . . .
H20A H 0.1266 0.2222 0.5150 0.055 Uiso 1 1 calc R U . . .
H20B H 0.0672 0.2806 0.4408 0.055 Uiso 1 1 calc R U . . .
H20C H 0.1615 0.2515 0.4369 0.055 Uiso 1 1 calc R U . . .


_geom_special_details            
; 
 All esds (except the esd in the dihedral angle between two l.s. planes) 
 are estimated using the full covariance matrix.  The cell esds are taken 
 into account individually in the estimation of esds in distances, angles 
 and torsion angles; correlations between esds in cell parameters are only 
 used when they are defined by crystal symmetry.  An approximate (isotropic) 
 treatment of cell esds is used for estimating esds involving l.s. planes. 
;

loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_site_symmetry_2
_geom_bond_publ_flag
Cnt1 Gd1 2.427 . ?
Cnt2 Gd2 2.431 . ?
Gd1 C4 2.687(3) . ?
Gd1 C5 2.696(3) . ?
Gd1 C1 2.710(3) . ?
Gd1 C3 2.715(4) . ?
Gd1 C2 2.739(3) . ?
Gd1 Gd2 3.8336(4) . ?
Gd2 C11 2.687(3) . ?
Gd2 C15 2.704(3) . ?
Gd2 C14 2.710(3) . ?
Gd2 C12 2.727(3) . ?
Gd2 C13 2.735(3) . ?
C1 C5 1.411(5) . ?
C1 C2 1.419(5) . ?
C1 C6 1.499(5) . ?
C2 C3 1.428(6) . ?
C2 C7 1.498(5) . ?
C3 C4 1.407(6) . ?
C3 C8 1.506(5) . ?
C4 C5 1.410(5) . ?
C4 C9 1.508(5) . ?
C5 C10 1.507(5) . ?
C11 C15 1.416(4) . ?
C11 C12 1.418(5) . ?
C11 C16 1.505(5) . ?
C12 C13 1.414(5) . ?
C12 C17 1.505(5) . ?
C13 C14 1.413(5) . ?
C13 C18 1.504(5) . ?
C14 C15 1.417(5) . ?
C14 C19 1.501(5) . ?
C15 C20 1.503(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
C4 Gd1 C4 163.16(16) . 2 ?
C4 Gd1 C5 30.36(10) . . ?
C4 Gd1 C5 150.97(10) 2 . ?
C4 Gd1 C5 150.97(10) . 2 ?
C4 Gd1 C5 30.36(10) 2 2 ?
C5 Gd1 C5 175.50(14) . 2 ?
C4 Gd1 C1 50.15(10) . . ?
C4 Gd1 C1 123.15(10) 2 . ?
C5 Gd1 C1 30.25(10) . . ?
C5 Gd1 C1 152.75(10) 2 . ?
C4 Gd1 C1 123.15(10) . 2 ?
C4 Gd1 C1 50.15(10) 2 2 ?
C5 Gd1 C1 152.75(10) . 2 ?
C5 Gd1 C1 30.25(10) 2 2 ?
C1 Gd1 C1 142.55(15) . 2 ?
C4 Gd1 C3 133.00(12) . 2 ?
C4 Gd1 C3 30.19(12) 2 2 ?
C5 Gd1 C3 133.85(11) . 2 ?
C5 Gd1 C3 49.92(11) 2 2 ?
C1 Gd1 C3 103.99(11) . 2 ?
C1 Gd1 C3 50.09(10) 2 2 ?
C4 Gd1 C3 30.19(12) . . ?
C4 Gd1 C3 133.00(12) 2 . ?
C5 Gd1 C3 49.92(11) . . ?
C5 Gd1 C3 133.85(11) 2 . ?
C1 Gd1 C3 50.10(10) . . ?
C1 Gd1 C3 103.99(11) 2 . ?
C3 Gd1 C3 102.98(18) 2 . ?
C4 Gd1 C2 49.95(11) . . ?
C4 Gd1 C2 115.44(11) 2 . ?
C5 Gd1 C2 49.77(10) . . ?
C5 Gd1 C2 134.68(10) 2 . ?
C1 Gd1 C2 30.18(11) . . ?
C1 Gd1 C2 113.31(11) 2 . ?
C3 Gd1 C2 87.34(11) 2 . ?
C3 Gd1 C2 30.36(12) . . ?
C4 Gd1 C2 115.44(11) . 2 ?
C4 Gd1 C2 49.95(11) 2 2 ?
C5 Gd1 C2 134.68(10) . 2 ?
C5 Gd1 C2 49.77(10) 2 2 ?
C1 Gd1 C2 113.31(11) . 2 ?
C1 Gd1 C2 30.18(11) 2 2 ?
C3 Gd1 C2 30.36(12) 2 2 ?
C3 Gd1 C2 87.35(11) . 2 ?
C2 Gd1 C2 86.21(15) . 2 ?
C4 Gd1 Gd2 98.42(8) . . ?
C4 Gd1 Gd2 98.42(8) 2 . ?
C5 Gd1 Gd2 87.75(7) . . ?
C5 Gd1 Gd2 87.75(7) 2 . ?
C1 Gd1 Gd2 108.73(7) . . ?
C1 Gd1 Gd2 108.73(7) 2 . ?
C3 Gd1 Gd2 128.51(9) 2 . ?
C3 Gd1 Gd2 128.51(9) . . ?
C2 Gd1 Gd2 136.89(8) . . ?
C2 Gd1 Gd2 136.89(8) 2 . ?
C11 Gd2 C11 143.34(14) . 2 ?
C11 Gd2 C15 30.46(9) . . ?
C11 Gd2 C15 151.90(10) 2 . ?
C11 Gd2 C15 151.90(10) . 2 ?
C11 Gd2 C15 30.46(9) 2 2 ?
C15 Gd2 C15 176.32(13) . 2 ?
C11 Gd2 C14 121.99(10) . 2 ?
C11 Gd2 C14 50.09(10) 2 2 ?
C15 Gd2 C14 150.97(10) . 2 ?
C15 Gd2 C14 30.35(10) 2 2 ?
C11 Gd2 C14 50.09(10) . . ?
C11 Gd2 C14 121.99(10) 2 . ?
C15 Gd2 C14 30.35(10) . . ?
C15 Gd2 C14 150.96(10) 2 . ?
C14 Gd2 C14 159.52(14) 2 . ?
C11 Gd2 C12 30.37(10) . . ?
C11 Gd2 C12 113.68(10) 2 . ?
C15 Gd2 C12 50.03(9) . . ?
C15 Gd2 C12 133.59(9) 2 . ?
C14 Gd2 C12 112.69(10) 2 . ?
C14 Gd2 C12 49.72(9) . . ?
C11 Gd2 C12 113.68(10) . 2 ?
C11 Gd2 C12 30.37(10) 2 2 ?
C15 Gd2 C12 133.59(9) . 2 ?
C15 Gd2 C12 50.03(9) 2 2 ?
C14 Gd2 C12 49.72(9) 2 2 ?
C14 Gd2 C12 112.69(10) . 2 ?
C12 Gd2 C12 85.69(13) . 2 ?
C11 Gd2 C13 103.69(10) . 2 ?
C11 Gd2 C13 49.96(10) 2 2 ?
C15 Gd2 C13 133.24(10) . 2 ?
C15 Gd2 C13 49.94(9) 2 2 ?
C14 Gd2 C13 30.07(10) 2 2 ?
C14 Gd2 C13 129.45(10) . 2 ?
C12 Gd2 C13 85.28(9) . 2 ?
C12 Gd2 C13 30.00(10) 2 2 ?
C11 Gd2 C13 49.96(10) . . ?
C11 Gd2 C13 103.69(10) 2 . ?
C15 Gd2 C13 49.94(9) . . ?
C15 Gd2 C13 133.24(10) 2 . ?
C14 Gd2 C13 129.45(10) 2 . ?
C14 Gd2 C13 30.07(10) . . ?
C12 Gd2 C13 30.01(10) . . ?
C12 Gd2 C13 85.28(9) 2 . ?
C13 Gd2 C13 99.42(14) 2 . ?
C11 Gd2 Gd1 108.33(7) . . ?
C11 Gd2 Gd1 108.33(7) 2 . ?
C15 Gd2 Gd1 88.16(7) . . ?
C15 Gd2 Gd1 88.16(7) 2 . ?
C14 Gd2 Gd1 100.24(7) 2 . ?
C14 Gd2 Gd1 100.24(7) . . ?
C12 Gd2 Gd1 137.15(7) . . ?
C12 Gd2 Gd1 137.15(7) 2 . ?
C13 Gd2 Gd1 130.29(7) 2 . ?
C13 Gd2 Gd1 130.29(7) . . ?
C5 C1 C2 107.9(3) . . ?
C5 C1 C6 127.2(3) . . ?
C2 C1 C6 124.5(3) . . ?
C5 C1 Gd1 74.33(18) . . ?
C2 C1 Gd1 76.02(19) . . ?
C6 C1 Gd1 121.0(2) . . ?
C1 C2 C3 107.6(3) . . ?
C1 C2 C7 124.5(4) . . ?
C3 C2 C7 126.4(4) . . ?
C1 C2 Gd1 73.80(19) . . ?
C3 C2 Gd1 73.9(2) . . ?
C7 C2 Gd1 129.0(3) . . ?
C4 C3 C2 107.8(3) . . ?
C4 C3 C8 124.4(4) . . ?
C2 C3 C8 127.4(4) . . ?
C4 C3 Gd1 73.80(19) . . ?
C2 C3 Gd1 75.8(2) . . ?
C8 C3 Gd1 122.2(3) . . ?
C3 C4 C5 108.3(3) . . ?
C3 C4 C9 125.5(4) . . ?
C5 C4 C9 125.9(4) . . ?
C3 C4 Gd1 76.0(2) . . ?
C5 C4 Gd1 75.21(18) . . ?
C9 C4 Gd1 119.0(2) . . ?
C4 C5 C1 108.4(3) . . ?
C4 C5 C10 126.1(3) . . ?
C1 C5 C10 125.4(3) . . ?
C4 C5 Gd1 74.43(19) . . ?
C1 C5 Gd1 75.42(19) . . ?
C10 C5 Gd1 119.3(2) . . ?
C15 C11 C12 108.2(3) . . ?
C15 C11 C16 127.2(3) . . ?
C12 C11 C16 124.2(3) . . ?
C15 C11 Gd2 75.43(17) . . ?
C12 C11 Gd2 76.37(18) . . ?
C16 C11 Gd2 120.2(2) . . ?
C13 C12 C11 107.9(3) . . ?
C13 C12 C17 126.6(3) . . ?
C11 C12 C17 123.9(3) . . ?
C13 C12 Gd2 75.31(18) . . ?
C11 C12 Gd2 73.27(17) . . ?
C17 C12 Gd2 128.4(2) . . ?
C14 C13 C12 107.9(3) . . ?
C14 C13 C18 123.7(3) . . ?
C12 C13 C18 127.7(3) . . ?
C14 C13 Gd2 74.00(18) . . ?
C12 C13 Gd2 74.69(17) . . ?
C18 C13 Gd2 124.6(2) . . ?
C13 C14 C15 108.4(3) . . ?
C13 C14 C19 123.5(3) . . ?
C15 C14 C19 127.6(3) . . ?
C13 C14 Gd2 75.93(17) . . ?
C15 C14 Gd2 74.58(17) . . ?
C19 C14 Gd2 121.9(2) . . ?
C11 C15 C14 107.5(3) . . ?
C11 C15 C20 126.0(3) . . ?
C14 C15 C20 126.2(3) . . ?
C11 C15 Gd2 74.11(17) . . ?
C14 C15 Gd2 75.06(17) . . ?
C20 C15 Gd2 121.6(2) . . ?

_refine_diff_density_max         1.722
_refine_diff_density_min         -0.806
_refine_diff_density_rms         0.102

_shelxl_version_number           2013-3

_database_code_depnum_ccdc_archive 'CCDC 1008453'
#######################################################################
#
#                 Cambridge Crystallographic Data Centre
#                                CCDC 
# 
#######################################################################
# 
#  This CIF contains data from an original supplementary publication
#  deposited with the CCDC, and may include chemical, crystal,
#  experimental, refinement, atomic coordinates,
#  anisotropic displacement parameters and molecular geometry data,
#  as required by the journal to which it was submitted.
#
#  This CIF is provided on the understanding that it is used for bona
#  fide research purposes only. It may contain copyright material
#  of the CCDC or of third parties, and may not be copied or further
#  disseminated in any form, whether machine-readable or not,
#  except for the purpose of generating routine backup copies
#  on your local computer system.
# 
#  For further information on the CCDC, data deposition and
#  data retrieval see:
#                         www.ccdc.cam.ac.uk
#
#  Bona fide researchers may freely download Mercury and enCIFer
#  from this site to visualise CIF-encoded structures and 
#  to carry out CIF format checking respectively.
#
data_ssl1

_audit_creation_method           SHELXL-2013
_chemical_name_systematic        
; 
 ? 
;
_chemical_name_common            ?
_chemical_melting_point          ?
_chemical_formula_moiety         ?
_chemical_formula_sum            'C40 H62 Tb2'
_chemical_formula_weight         860.73

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

_space_group_crystal_system      monoclinic
_space_group_IT_number           15
_space_group_name_H-M_alt        'C 2/c'
_space_group_name_Hall           '-C 2yc'

_shelx_space_group_comment       
; 
The symmetry employed for this shelxl refinement is uniquely defined 
by the following loop, which should always be used as a source of 
symmetry information in preference to the above space-group names. 
They are only intended as comments. 
;

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

_cell_length_a                   16.1651(13)
_cell_length_b                   14.1669(11)
_cell_length_c                   16.6568(13)
_cell_angle_alpha                90
_cell_angle_beta                 104.1168(9)
_cell_angle_gamma                90
_cell_volume                     3699.4(5)
_cell_formula_units_Z            4
_cell_measurement_temperature    143(2)
_cell_measurement_reflns_used    9924
_cell_measurement_theta_min      2.48
_cell_measurement_theta_max      28.29

_exptl_crystal_description       irregular
_exptl_crystal_colour            yellow
_exptl_crystal_density_meas      not_measured
_exptl_crystal_density_method    not_measured
_exptl_crystal_density_diffrn    1.545
_exptl_crystal_F_000             1728
_exptl_transmission_factor_min   ?
_exptl_transmission_factor_max   ?
_exptl_crystal_size_max          0.303
_exptl_crystal_size_mid          0.290
_exptl_crystal_size_min          0.108
_exptl_absorpt_coefficient_mu    3.817
_shelx_estimated_absorpt_T_min   0.391
_shelx_estimated_absorpt_T_max   0.683
_exptl_absorpt_correction_type   numerical
_exptl_absorpt_correction_T_min  0.5728
_exptl_absorpt_correction_T_max  0.9092
_exptl_absorpt_process_details   'Bruker SADABS'

_exptl_special_details           
; 
 ? 
;

_diffrn_ambient_temperature      143(2)
_diffrn_radiation_wavelength     0.71073
_diffrn_radiation_type           MoK\a
_diffrn_source                   'fine-focus sealed tube'
_diffrn_measurement_device_type  'Bruker SMART APEX II CCD'
_diffrn_measurement_method       'φ and ω scans'
_diffrn_detector_area_resol_mean ?
_diffrn_reflns_number            21015
_diffrn_reflns_av_unetI/netI     0.0228
_diffrn_reflns_av_R_equivalents  0.0307
_diffrn_reflns_limit_h_min       -21
_diffrn_reflns_limit_h_max       21
_diffrn_reflns_limit_k_min       -17
_diffrn_reflns_limit_k_max       17
_diffrn_reflns_limit_l_min       -21
_diffrn_reflns_limit_l_max       21
_diffrn_reflns_theta_min         1.937
_diffrn_reflns_theta_max         28.488
_diffrn_reflns_theta_full        25.242
_diffrn_measured_fraction_theta_max 0.923
_diffrn_measured_fraction_theta_full 0.999
_diffrn_reflns_Laue_measured_fraction_max 0.923
_diffrn_reflns_Laue_measured_fraction_full 0.999
_diffrn_reflns_point_group_measured_fraction_max 0.923
_diffrn_reflns_point_group_measured_fraction_full 0.999
_reflns_number_total             4334
_reflns_number_gt                3905
_reflns_threshold_expression     'I > 2σ(I)'
_reflns_Friedel_coverage         0.000
_reflns_Friedel_fraction_max     .
_reflns_Friedel_fraction_full    .

_reflns_special_details          
; 
 Reflections were merged by SHELXL according to the crystal 
 class for the calculation of statistics and refinement. 
  
 _reflns_Friedel_fraction is defined as the number of unique 
 Friedel pairs measured divided by the number that would be 
 possible theoretically, ignoring centric projections and 
 systematic absences. 
;

_computing_data_collection       'Bruker APEX2 2011.4-1, 2011'
_computing_cell_refinement       'Bruker SAINT 7.68a, 2009'
_computing_data_reduction        'Bruker SAINT 7.68a, 2009'
_computing_structure_solution    'Bruker SHELXTL 2008/4'
_computing_structure_refinement  'SHELXL-2013 (Sheldrick, 2013)'
_computing_molecular_graphics    'Bruker SHELXTL'
_computing_publication_material  'Bruker SHELXTL'

_refine_special_details          
; 
 A yellow crystal of approximate dimensions 0.11 x 0.29 x 0.30 mm was mounted on a glass
 fiber and transferred to a Bruker SMART APEX II diffractometer.  The APEX2 program
 package was used to determine the unit-cell parameters and for data collection 
 (10 sec/frame scan time for a sphere of diffraction data).  The raw frame data was
 processed using SAINT and SADABS to yield the reflection data file.  Subsequent
 calculations were carried out using the SHELXTL program.  The diffraction symmetry
 was 2/m and the systematic absences were consistent with the monoclinic space groups
 Cc and C2/c.  It was later determined that space group C2/c was correct.

 The structure was solved by direct methods and refined5 on F2 by full-matrix least-squares
 techniques.  The analytical scattering factors for neutral atoms were used throughout the
 analysis.  The molecule was located on a two-fold rotation axis.  Hydrogen atom H(1) was
 located from a difference-Fourier map and refined (x,y,z and Uiso).  The remaining hydrogen
 atoms were included using a riding model.

 At convergence, wR2 = 0.0550 and Goof = 1.043 for 205 variables refined against 4334 data
 (0.74), R1 = 0.0209 for those 3905 data with I > 2.0sigma(I).
;
_refine_ls_structure_factor_coef Fsqd
_refine_ls_matrix_type           full
_refine_ls_weighting_scheme      calc
_refine_ls_weighting_details     
'w=1/[σ²(Fo²)+(0.0297P)²+5.2600P] where P=(Fo²+2Fc²)/3'
_atom_sites_solution_primary     direct
_atom_sites_solution_secondary   difmap
_atom_sites_solution_hydrogens   mixed
_refine_ls_hydrogen_treatment    mixed
_refine_ls_extinction_method     none
_refine_ls_extinction_coef       .
_refine_ls_number_reflns         4334
_refine_ls_number_parameters     205
_refine_ls_number_restraints     0
_refine_ls_R_factor_all          0.0244
_refine_ls_R_factor_gt           0.0209
_refine_ls_wR_factor_ref         0.0550
_refine_ls_wR_factor_gt          0.0532
_refine_ls_goodness_of_fit_ref   1.043
_refine_ls_restrained_S_all      1.043
_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_site_symmetry_order
_atom_site_calc_flag
_atom_site_refinement_flags_posn
_atom_site_refinement_flags_adp
_atom_site_refinement_flags_occupancy
_atom_site_disorder_assembly
_atom_site_disorder_group
Tb1 Tb 0.0000 0.40154(2) 0.2500 0.02217(6) Uani 1 2 d S T P . .
Tb2 Tb 0.0000 0.13493(2) 0.2500 0.01872(5) Uani 1 2 d S T P . .
H1 H 0.029(3) 0.266(3) 0.207(3) 0.076(14) Uiso 1 1 d . . . . .
C1 C 0.15956(15) 0.46504(18) 0.31603(15) 0.0249(5) Uani 1 1 d . . . . .
C2 C 0.11709(16) 0.54391(18) 0.27175(18) 0.0298(6) Uani 1 1 d . . . . .
C3 C 0.09743(16) 0.5214(2) 0.18622(17) 0.0305(6) Uani 1 1 d . . . . .
C4 C 0.12840(15) 0.42990(19) 0.17800(15) 0.0258(5) Uani 1 1 d . . . . .
C5 C 0.16749(15) 0.39544(17) 0.25776(16) 0.0224(5) Uani 1 1 d . . . . .
C6 C 0.19786(18) 0.4633(2) 0.40760(17) 0.0375(7) Uani 1 1 d . . . . .
H6A H 0.2375 0.5163 0.4229 0.056 Uiso 1 1 calc R U . . .
H6B H 0.2287 0.4038 0.4227 0.056 Uiso 1 1 calc R U . . .
H6C H 0.1524 0.4686 0.4370 0.056 Uiso 1 1 calc R U . . .
C7 C 0.1144(2) 0.6404(2) 0.3086(3) 0.0502(9) Uani 1 1 d . . . . .
H7A H 0.1681 0.6734 0.3106 0.075 Uiso 1 1 calc R U . . .
H7B H 0.1063 0.6343 0.3648 0.075 Uiso 1 1 calc R U . . .
H7C H 0.0669 0.6765 0.2744 0.075 Uiso 1 1 calc R U . . .
C8 C 0.0604(2) 0.5859(3) 0.1145(2) 0.0522(10) Uani 1 1 d . . . . .
H8A H 0.0999 0.5903 0.0783 0.078 Uiso 1 1 calc R U . . .
H8B H 0.0516 0.6488 0.1354 0.078 Uiso 1 1 calc R U . . .
H8C H 0.0057 0.5605 0.0830 0.078 Uiso 1 1 calc R U . . .
C9 C 0.1271(2) 0.3817(3) 0.09714(18) 0.0427(8) Uani 1 1 d . . . . .
H9A H 0.1544 0.4225 0.0636 0.064 Uiso 1 1 calc R U . . .
H9B H 0.0679 0.3695 0.0673 0.064 Uiso 1 1 calc R U . . .
H9C H 0.1582 0.3218 0.1080 0.064 Uiso 1 1 calc R U . . .
C10 C 0.21482(18) 0.3039(2) 0.27683(19) 0.0355(6) Uani 1 1 d . . . . .
H10A H 0.2730 0.3117 0.2702 0.053 Uiso 1 1 calc R U . . .
H10B H 0.1855 0.2550 0.2388 0.053 Uiso 1 1 calc R U . . .
H10C H 0.2168 0.2852 0.3339 0.053 Uiso 1 1 calc R U . . .
C11 C 0.12459(15) 0.07513(17) 0.37687(14) 0.0215(5) Uani 1 1 d . . . . .
C12 C 0.07333(16) -0.00601(17) 0.35345(14) 0.0230(5) Uani 1 1 d . . . . .
C13 C -0.00632(15) 0.01020(18) 0.37274(14) 0.0229(5) Uani 1 1 d . . . . .
C14 C -0.00353(16) 0.10100(17) 0.40830(14) 0.0218(5) Uani 1 1 d . . . . .
C15 C 0.07754(16) 0.14099(17) 0.41214(14) 0.0221(5) Uani 1 1 d . . . . .
C16 C 0.21684(16) 0.0823(2) 0.37399(17) 0.0298(6) Uani 1 1 d . . . . .
H16A H 0.2497 0.0321 0.4079 0.045 Uiso 1 1 calc R U . . .
H16B H 0.2395 0.1439 0.3955 0.045 Uiso 1 1 calc R U . . .
H16C H 0.2213 0.0756 0.3166 0.045 Uiso 1 1 calc R U . . .
C17 C 0.1070(2) -0.09977(18) 0.33276(18) 0.0317(6) Uani 1 1 d . . . . .
H17A H 0.1296 -0.1353 0.3839 0.047 Uiso 1 1 calc R U . . .
H17B H 0.1526 -0.0893 0.3043 0.047 Uiso 1 1 calc R U . . .
H17C H 0.0607 -0.1357 0.2966 0.047 Uiso 1 1 calc R U . . .
C18 C -0.07728(18) -0.0595(2) 0.37035(17) 0.0323(6) Uani 1 1 d . . . . .
H18A H -0.0852 -0.0682 0.4264 0.048 Uiso 1 1 calc R U . . .
H18B H -0.0626 -0.1201 0.3491 0.048 Uiso 1 1 calc R U . . .
H18C H -0.1302 -0.0354 0.3341 0.048 Uiso 1 1 calc R U . . .
C19 C -0.07279(18) 0.1386(2) 0.44544(17) 0.0326(6) Uani 1 1 d . . . . .
H19A H -0.0855 0.0923 0.4845 0.049 Uiso 1 1 calc R U . . .
H19B H -0.1243 0.1503 0.4014 0.049 Uiso 1 1 calc R U . . .
H19C H -0.0538 0.1977 0.4747 0.049 Uiso 1 1 calc R U . . .
C20 C 0.1110(2) 0.23167(18) 0.45456(18) 0.0307(6) Uani 1 1 d . . . . .
H20A H 0.1259 0.2221 0.5147 0.046 Uiso 1 1 calc R U . . .
H20B H 0.0670 0.2806 0.4400 0.046 Uiso 1 1 calc R U . . .
H20C H 0.1618 0.2514 0.4367 0.046 Uiso 1 1 calc R U . . .


_geom_special_details            
; 
 All esds (except the esd in the dihedral angle between two l.s. planes) 
 are estimated using the full covariance matrix.  The cell esds are taken 
 into account individually in the estimation of esds in distances, angles 
 and torsion angles; correlations between esds in cell parameters are only 
 used when they are defined by crystal symmetry.  An approximate (isotropic) 
 treatment of cell esds is used for estimating esds involving l.s. planes. 
;

loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_site_symmetry_2
_geom_bond_publ_flag
Tb1 H1 2.14(4) . ?
Tb1 Cnt1 2.413 . ?
Tb2 Cnt2 2.415 . ?
Tb1 C4 2.669(2) . ?
Tb1 C4 2.669(2) 2 ?
Tb1 C5 2.680(2) 2 ?
Tb1 C5 2.680(2) . ?
Tb1 C1 2.700(2) . ?
Tb1 C1 2.700(2) 2 ?
Tb1 C3 2.703(2) . ?
Tb1 C3 2.703(2) 2 ?
Tb1 C2 2.729(3) . ?
Tb1 C2 2.729(3) 2 ?
Tb1 Tb2 3.7770(4) . ?
Tb2 H1 2.09(4) . ?
Tb2 C11 2.677(2) . ?
Tb2 C11 2.677(2) 2 ?
Tb2 C15 2.687(2) 2 ?
Tb2 C15 2.687(2) . ?
Tb2 C14 2.694(2) 2 ?
Tb2 C14 2.694(2) . ?
Tb2 C12 2.714(2) 2 ?
Tb2 C12 2.714(2) . ?
Tb2 C13 2.723(2) 2 ?
Tb2 C13 2.723(2) . ?
C1 C5 1.411(3) . ?
C1 C2 1.420(4) . ?
C1 C6 1.500(4) . ?
C2 C3 1.418(4) . ?
C2 C7 1.504(4) . ?
C3 C4 1.408(4) . ?
C3 C8 1.508(4) . ?
C4 C5 1.412(4) . ?
C4 C9 1.506(4) . ?
C5 C10 1.500(4) . ?
C11 C12 1.415(3) . ?
C11 C15 1.418(3) . ?
C11 C16 1.507(3) . ?
C12 C13 1.420(3) . ?
C12 C17 1.507(3) . ?
C13 C14 1.412(4) . ?
C13 C18 1.506(3) . ?
C14 C15 1.415(3) . ?
C14 C19 1.503(3) . ?
C15 C20 1.502(3) . ?

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
Cnt1 Tb1 H1 94.2 . . ?
Cnt1 Tb1 H1' 131.1 . . ?
Cnt2 Tb2 H1 129.2 . . ?
Cnt2 Tb2 H1' 96.1 . . ?
Cnt1 Tb1 Cnt1' 131.8 . . ?
Cnt2 Tb2 Cnt2' 131.0 . . ?
H1 Tb1 C4 74.0(12) . . ?
H1 Tb1 C4 123.0(12) . 2 ?
C4 Tb1 C4 162.68(12) . 2 ?
H1 Tb1 C5 104.9(13) . 2 ?
C4 Tb1 C5 150.50(8) . 2 ?
C4 Tb1 C5 30.61(8) 2 2 ?
H1 Tb1 C5 71.7(13) . . ?
C4 Tb1 C5 30.61(8) . . ?
C4 Tb1 C5 150.50(8) 2 . ?
C5 Tb1 C5 176.31(10) 2 . ?
H1 Tb1 C1 99.8(13) . . ?
C4 Tb1 C1 50.39(7) . . ?
C4 Tb1 C1 122.50(8) 2 . ?
C5 Tb1 C1 152.12(7) 2 . ?
C5 Tb1 C1 30.41(7) . . ?
H1 Tb1 C1 115.2(13) . 2 ?
C4 Tb1 C1 122.50(8) . 2 ?
C4 Tb1 C1 50.39(7) 2 2 ?
C5 Tb1 C1 30.41(7) 2 2 ?
C5 Tb1 C1 152.12(7) . 2 ?
C1 Tb1 C1 141.07(11) . 2 ?
H1 Tb1 C3 103.5(12) . . ?
C4 Tb1 C3 30.38(8) . . ?
C4 Tb1 C3 132.35(8) 2 . ?
C5 Tb1 C3 132.83(8) 2 . ?
C5 Tb1 C3 50.26(8) . . ?
C1 Tb1 C3 50.24(8) . . ?
C1 Tb1 C3 102.76(8) 2 . ?
H1 Tb1 C3 153.1(12) . 2 ?
C4 Tb1 C3 132.34(9) . 2 ?
C4 Tb1 C3 30.38(8) 2 2 ?
C5 Tb1 C3 50.26(8) 2 2 ?
C5 Tb1 C3 132.83(8) . 2 ?
C1 Tb1 C3 102.76(8) . 2 ?
C1 Tb1 C3 50.25(8) 2 2 ?
C3 Tb1 C3 102.19(12) . 2 ?
H1 Tb1 C2 120.3(12) . . ?
C4 Tb1 C2 50.07(8) . . ?
C4 Tb1 C2 114.79(8) 2 . ?
C5 Tb1 C2 133.63(8) 2 . ?
C5 Tb1 C2 50.03(7) . . ?
C1 Tb1 C2 30.32(8) . . ?
C1 Tb1 C2 111.75(8) 2 . ?
C3 Tb1 C2 30.26(8) . . ?
C3 Tb1 C2 86.30(8) 2 . ?
H1 Tb1 C2 144.9(13) . 2 ?
C4 Tb1 C2 114.80(8) . 2 ?
C4 Tb1 C2 50.07(8) 2 2 ?
C5 Tb1 C2 50.03(7) 2 2 ?
C5 Tb1 C2 133.63(8) . 2 ?
C1 Tb1 C2 111.75(8) . 2 ?
C1 Tb1 C2 30.32(8) 2 2 ?
C3 Tb1 C2 86.30(8) . 2 ?
C3 Tb1 C2 30.26(8) 2 2 ?
C2 Tb1 C2 84.69(11) . 2 ?
H1 Tb1 Tb2 26.5(12) . . ?
C4 Tb1 Tb2 98.66(6) . . ?
C4 Tb1 Tb2 98.66(6) 2 . ?
C5 Tb1 Tb2 88.15(5) 2 . ?
C5 Tb1 Tb2 88.15(5) . . ?
C1 Tb1 Tb2 109.47(6) . . ?
C1 Tb1 Tb2 109.47(6) 2 . ?
C3 Tb1 Tb2 128.90(6) . . ?
C3 Tb1 Tb2 128.91(6) 2 . ?
C2 Tb1 Tb2 137.65(6) . . ?
C2 Tb1 Tb2 137.65(6) 2 . ?
H1 Tb2 C11 111.5(13) . . ?
H1 Tb2 C11 101.4(13) . 2 ?
C11 Tb2 C11 143.09(11) . 2 ?
H1 Tb2 C15 73.3(13) . 2 ?
C11 Tb2 C15 151.69(7) . 2 ?
C11 Tb2 C15 30.66(7) 2 2 ?
H1 Tb2 C15 103.3(13) . . ?
C11 Tb2 C15 30.67(7) . . ?
C11 Tb2 C15 151.69(7) 2 . ?
C15 Tb2 C15 176.34(10) 2 . ?
H1 Tb2 C14 76.2(13) . 2 ?
C11 Tb2 C14 121.65(7) . 2 ?
C11 Tb2 C14 50.38(7) 2 2 ?
C15 Tb2 C14 30.48(7) 2 2 ?
C15 Tb2 C14 150.83(7) . 2 ?
H1 Tb2 C14 123.9(13) . . ?
C11 Tb2 C14 50.38(7) . . ?
C11 Tb2 C14 121.65(7) 2 . ?
C15 Tb2 C14 150.83(7) 2 . ?
C15 Tb2 C14 30.48(7) . . ?
C14 Tb2 C14 159.45(10) 2 . ?
H1 Tb2 C12 122.4(13) . 2 ?
C11 Tb2 C12 113.36(8) . 2 ?
C11 Tb2 C12 30.43(7) 2 2 ?
C15 Tb2 C12 50.27(7) 2 2 ?
C15 Tb2 C12 133.32(7) . 2 ?
C14 Tb2 C12 50.03(7) 2 2 ?
C14 Tb2 C12 112.33(7) . 2 ?
H1 Tb2 C12 140.8(13) . . ?
C11 Tb2 C12 30.43(7) . . ?
C11 Tb2 C12 113.36(8) 2 . ?
C15 Tb2 C12 133.32(7) 2 . ?
C15 Tb2 C12 50.27(7) . . ?
C14 Tb2 C12 112.33(7) 2 . ?
C14 Tb2 C12 50.03(7) . . ?
C12 Tb2 C12 85.26(10) 2 . ?
H1 Tb2 C13 105.4(13) . 2 ?
C11 Tb2 C13 103.21(7) . 2 ?
C11 Tb2 C13 50.25(7) 2 2 ?
C15 Tb2 C13 50.20(7) 2 2 ?
C15 Tb2 C13 132.97(7) . 2 ?
C14 Tb2 C13 30.22(7) 2 2 ?
C14 Tb2 C13 129.24(7) . 2 ?
C12 Tb2 C13 30.27(7) 2 2 ?
C12 Tb2 C13 84.76(7) . 2 ?
H1 Tb2 C13 152.9(13) . . ?
C11 Tb2 C13 50.25(7) . . ?
C11 Tb2 C13 103.21(7) 2 . ?
C15 Tb2 C13 132.97(7) 2 . ?
C15 Tb2 C13 50.20(7) . . ?
C14 Tb2 C13 129.24(7) 2 . ?
C14 Tb2 C13 30.22(7) . . ?
C12 Tb2 C13 84.76(7) 2 . ?
C12 Tb2 C13 30.27(7) . . ?
C13 Tb2 C13 99.07(11) 2 . ?
H1 Tb2 Tb1 27.1(12) . . ?
C11 Tb2 Tb1 108.45(5) . . ?
C11 Tb2 Tb1 108.45(5) 2 . ?
C15 Tb2 Tb1 88.17(5) 2 . ?
C15 Tb2 Tb1 88.17(5) . . ?
C14 Tb2 Tb1 100.28(5) 2 . ?
C14 Tb2 Tb1 100.28(5) . . ?
C12 Tb2 Tb1 137.37(5) 2 . ?
C12 Tb2 Tb1 137.37(5) . . ?
C13 Tb2 Tb1 130.46(5) 2 . ?
C13 Tb2 Tb1 130.46(5) . . ?
C5 C1 C2 107.8(2) . . ?
C5 C1 C6 127.1(2) . . ?
C2 C1 C6 124.6(2) . . ?
C5 C1 Tb1 74.04(14) . . ?
C2 C1 Tb1 75.99(14) . . ?
C6 C1 Tb1 121.69(16) . . ?
C3 C2 C1 107.8(2) . . ?
C3 C2 C7 126.4(3) . . ?
C1 C2 C7 124.2(3) . . ?
C3 C2 Tb1 73.86(14) . . ?
C1 C2 Tb1 73.69(14) . . ?
C7 C2 Tb1 129.63(19) . . ?
C4 C3 C2 107.9(2) . . ?
C4 C3 C8 124.2(3) . . ?
C2 C3 C8 127.5(3) . . ?
C4 C3 Tb1 73.46(14) . . ?
C2 C3 Tb1 75.88(15) . . ?
C8 C3 Tb1 122.38(18) . . ?
C3 C4 C5 108.4(2) . . ?
C3 C4 C9 125.2(3) . . ?
C5 C4 C9 126.2(3) . . ?
C3 C4 Tb1 76.16(14) . . ?
C5 C4 Tb1 75.15(14) . . ?
C9 C4 Tb1 119.42(17) . . ?
C1 C5 C4 108.1(2) . . ?
C1 C5 C10 125.9(2) . . ?
C4 C5 C10 125.9(2) . . ?
C1 C5 Tb1 75.55(14) . . ?
C4 C5 Tb1 74.24(14) . . ?
C10 C5 Tb1 119.68(16) . . ?
C12 C11 C15 108.1(2) . . ?
C12 C11 C16 124.3(2) . . ?
C15 C11 C16 127.1(2) . . ?
C12 C11 Tb2 76.24(13) . . ?
C15 C11 Tb2 75.08(13) . . ?
C16 C11 Tb2 120.88(16) . . ?
C11 C12 C13 108.0(2) . . ?
C11 C12 C17 124.0(2) . . ?
C13 C12 C17 126.3(2) . . ?
C11 C12 Tb2 73.33(13) . . ?
C13 C12 Tb2 75.22(13) . . ?
C17 C12 Tb2 129.01(17) . . ?
C14 C13 C12 107.7(2) . . ?
C14 C13 C18 123.6(2) . . ?
C12 C13 C18 127.9(2) . . ?
C14 C13 Tb2 73.77(13) . . ?
C12 C13 Tb2 74.51(13) . . ?
C18 C13 Tb2 124.97(16) . . ?
C13 C14 C15 108.5(2) . . ?
C13 C14 C19 123.0(2) . . ?
C15 C14 C19 127.9(2) . . ?
C13 C14 Tb2 76.01(13) . . ?
C15 C14 Tb2 74.48(13) . . ?
C19 C14 Tb2 122.38(16) . . ?
C14 C15 C11 107.6(2) . . ?
C14 C15 C20 125.9(2) . . ?
C11 C15 C20 126.2(2) . . ?
C14 C15 Tb2 75.04(13) . . ?
C11 C15 Tb2 74.25(13) . . ?
C20 C15 Tb2 121.75(17) . . ?

_refine_diff_density_max         1.727
_refine_diff_density_min         -0.616
_refine_diff_density_rms         0.104

_shelxl_version_number           2013-3

_database_code_depnum_ccdc_archive 'CCDC 1008454'
#######################################################################
#
#                 Cambridge Crystallographic Data Centre
#                                CCDC 
# 
#######################################################################
# 
#  This CIF contains data from an original supplementary publication
#  deposited with the CCDC, and may include chemical, crystal,
#  experimental, refinement, atomic coordinates,
#  anisotropic displacement parameters and molecular geometry data,
#  as required by the journal to which it was submitted.
#
#  This CIF is provided on the understanding that it is used for bona
#  fide research purposes only. It may contain copyright material
#  of the CCDC or of third parties, and may not be copied or further
#  disseminated in any form, whether machine-readable or not,
#  except for the purpose of generating routine backup copies
#  on your local computer system.
# 
#  For further information on the CCDC, data deposition and
#  data retrieval see:
#                         www.ccdc.cam.ac.uk
#
#  Bona fide researchers may freely download Mercury and enCIFer
#  from this site to visualise CIF-encoded structures and 
#  to carry out CIF format checking respectively.
#
data_ssl13

_audit_creation_method           SHELXL-2013
_chemical_name_systematic        
; 
 ? 
;
_chemical_name_common            ?
_chemical_melting_point          ?
_chemical_formula_moiety         ?
_chemical_formula_sum            'C47 H70 Dy2'
_chemical_formula_weight         960.03

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'

_space_group_crystal_system      monoclinic
_space_group_IT_number           14
_space_group_name_H-M_alt        'P 21/n'
_space_group_name_Hall           '-P 2yn'

_shelx_space_group_comment       
; 
The symmetry employed for this shelxl refinement is uniquely defined 
by the following loop, which should always be used as a source of 
symmetry information in preference to the above space-group names. 
They are only intended as comments. 
;

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

_cell_length_a                   10.9652(7)
_cell_length_b                   31.175(2)
_cell_length_c                   12.5094(8)
_cell_angle_alpha                90
_cell_angle_beta                 99.6529(7)
_cell_angle_gamma                90
_cell_volume                     4215.7(5)
_cell_formula_units_Z            4
_cell_measurement_temperature    83(2)
_cell_measurement_reflns_used    9867
_cell_measurement_theta_min      2.29
_cell_measurement_theta_max      28.27

_exptl_crystal_description       irregular
_exptl_crystal_colour            yellow
_exptl_crystal_density_meas      not_measured
_exptl_crystal_density_method    not_measured
_exptl_crystal_density_diffrn    1.513
_exptl_crystal_F_000             1936
_exptl_transmission_factor_min   ?
_exptl_transmission_factor_max   ?
_exptl_crystal_size_max          0.495
_exptl_crystal_size_mid          0.338
_exptl_crystal_size_min          0.192
_exptl_absorpt_coefficient_mu    3.547
_shelx_estimated_absorpt_T_min   0.273
_shelx_estimated_absorpt_T_max   0.549
_exptl_absorpt_correction_type   numerical
_exptl_absorpt_correction_T_min  0.2772
_exptl_absorpt_correction_T_max  0.6067
_exptl_absorpt_process_details   'Bruker SADABS 2012/1'

_exptl_special_details           
; 
 ? 
;

_diffrn_ambient_temperature      83(2)
_diffrn_radiation_wavelength     0.71073
_diffrn_radiation_type           MoK\a
_diffrn_source                   'fine-focus sealed tube'
_diffrn_measurement_device_type  'Bruker SMART APEX II CCD'
_diffrn_measurement_method       'φ and ω scans'
_diffrn_detector_area_resol_mean ?
_diffrn_reflns_number            50741
_diffrn_reflns_av_unetI/netI     0.0154
_diffrn_reflns_av_R_equivalents  0.0200
_diffrn_reflns_limit_h_min       -14
_diffrn_reflns_limit_h_max       14
_diffrn_reflns_limit_k_min       -40
_diffrn_reflns_limit_k_max       41
_diffrn_reflns_limit_l_min       -16
_diffrn_reflns_limit_l_max       16
_diffrn_reflns_theta_min         1.306
_diffrn_reflns_theta_max         28.301
_diffrn_reflns_theta_full        25.242
_diffrn_measured_fraction_theta_max 0.990
_diffrn_measured_fraction_theta_full 1.000
_diffrn_reflns_Laue_measured_fraction_max 0.990
_diffrn_reflns_Laue_measured_fraction_full 1.000
_diffrn_reflns_point_group_measured_fraction_max 0.990
_diffrn_reflns_point_group_measured_fraction_full 1.000
_reflns_number_total             10376
_reflns_number_gt                9889
_reflns_threshold_expression     'I > 2σ(I)'
_reflns_Friedel_coverage         0.000
_reflns_Friedel_fraction_max     .
_reflns_Friedel_fraction_full    .

_reflns_special_details          
; 
 Reflections were merged by SHELXL according to the crystal 
 class for the calculation of statistics and refinement. 
  
 _reflns_Friedel_fraction is defined as the number of unique 
 Friedel pairs measured divided by the number that would be 
 possible theoretically, ignoring centric projections and 
 systematic absences. 
;

_computing_data_collection       'Bruker APEX2 2013.6-2, 2013'
_computing_cell_refinement       'Bruker SAINT 8.32b, 2013'
_computing_data_reduction        'Bruker SAINT 8.32b, 2013'
_computing_structure_solution    'Bruker SHELXTL 2013/1'
_computing_structure_refinement  'SHELXL-2013 (Sheldrick, 2013)'
_computing_molecular_graphics    'Bruker SHELXTL'
_computing_publication_material  'Bruker SHELXTL'

_refine_special_details          
; 
 A yellow crystal of approximate dimensions 0.192 x 0.338 x 0.495 mm was mounted on a glass
 fiber and transferred to a Bruker SMART APEX II diffractometer.  The APEX2 program package
 was used to determine the unit-cell parameters and for data collection (15 sec/frame scan time
 for a sphere of diffraction data).  The raw frame data was processed using SAINT and SADABS
 to yield the reflection data file.  Subsequent calculations were carried out using the SHELXTL
 program.  The diffraction symmetry was 2/m and the systematic absences were consistent with
 the monoclinic space group P21/n that was later determined to be correct.

 The structure was solved using the coordinates of the yttrium analogue and refined on F2 by
 full-matrix least-squares techniques.  The analytical scattering factors for neutral atoms
 were used throughout the analysis.  The hydride atoms were located from a difference-Fourier
 map and refined (x,y,z and Uiso).  The remaining hydrogen atoms were included using a riding
 model.  There was one molecule of toluene solvent present per formula-unit.

 At convergence, wR2 = 0.0440 and Goof = 1.202 for 471 variables refined against 10376 data 
 (0.75), R1 = 0.0216 for those 9889 data with I > 2.0sigma(I).  
;
_refine_ls_structure_factor_coef Fsqd
_refine_ls_matrix_type           full
_refine_ls_weighting_scheme      calc
_refine_ls_weighting_details     
'w=1/[σ²(Fo²)+(0.0102P)²+6.8893P] where P=(Fo²+2Fc²)/3'
_atom_sites_solution_primary     direct
_atom_sites_solution_secondary   difmap
_atom_sites_solution_hydrogens   mixed
_refine_ls_hydrogen_treatment    mixed
_refine_ls_extinction_method     none
_refine_ls_extinction_coef       ?
_refine_ls_number_reflns         10376
_refine_ls_number_parameters     471
_refine_ls_number_restraints     0
_refine_ls_R_factor_all          0.0235
_refine_ls_R_factor_gt           0.0216
_refine_ls_wR_factor_ref         0.0440
_refine_ls_wR_factor_gt          0.0433
_refine_ls_goodness_of_fit_ref   1.202
_refine_ls_restrained_S_all      1.202
_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_site_symmetry_order
_atom_site_calc_flag
_atom_site_refinement_flags_posn
_atom_site_refinement_flags_adp
_atom_site_refinement_flags_occupancy
_atom_site_disorder_assembly
_atom_site_disorder_group
Dy1 Dy 0.90727(2) 0.12220(2) -0.18937(2) 0.00968(3) Uani 1 1 d . . . . .
Dy2 Dy 0.71270(2) 0.13348(2) 0.08365(2) 0.01069(3) Uani 1 1 d . . . . .
H1 H 0.753(3) 0.1138(10) -0.295(3) 0.037(9) Uiso 1 1 d . . . . .
H2 H 0.824(3) 0.1387(10) -0.040(2) 0.028(8) Uiso 1 1 d . . . . .
C1 C 1.0324(2) 0.06085(7) -0.06966(18) 0.0125(4) Uani 1 1 d . . . . .
C2 C 1.0757(2) 0.05848(7) -0.17011(19) 0.0132(4) Uani 1 1 d . . . . .
C3 C 0.9763(2) 0.04446(7) -0.25003(18) 0.0129(4) Uani 1 1 d . . . . .
C4 C 0.8729(2) 0.03639(7) -0.19804(19) 0.0125(4) Uani 1 1 d . . . . .
C5 C 0.9068(2) 0.04716(7) -0.08685(18) 0.0123(4) Uani 1 1 d . . . . .
C6 C 1.1087(2) 0.07181(8) 0.03787(19) 0.0180(5) Uani 1 1 d . . . . .
H6A H 1.1350 0.0453 0.0774 0.027 Uiso 1 1 calc R U . . .
H6B H 1.0593 0.0891 0.0802 0.027 Uiso 1 1 calc R U . . .
H6C H 1.1818 0.0881 0.0263 0.027 Uiso 1 1 calc R U . . .
C7 C 1.2098(2) 0.06149(8) -0.1827(2) 0.0184(5) Uani 1 1 d . . . . .
H7A H 1.2525 0.0349 -0.1571 0.028 Uiso 1 1 calc R U . . .
H7B H 1.2487 0.0857 -0.1398 0.028 Uiso 1 1 calc R U . . .
H7C H 1.2155 0.0659 -0.2592 0.028 Uiso 1 1 calc R U . . .
C8 C 0.9793(2) 0.03724(8) -0.36856(19) 0.0177(5) Uani 1 1 d . . . . .
H8A H 0.9886 0.0065 -0.3819 0.027 Uiso 1 1 calc R U . . .
H8B H 1.0492 0.0529 -0.3893 0.027 Uiso 1 1 calc R U . . .
H8C H 0.9020 0.0476 -0.4117 0.027 Uiso 1 1 calc R U . . .
C9 C 0.7566(2) 0.01426(7) -0.25253(19) 0.0159(5) Uani 1 1 d . . . . .
H9A H 0.7768 -0.0148 -0.2739 0.024 Uiso 1 1 calc R U . . .
H9B H 0.7201 0.0305 -0.3171 0.024 Uiso 1 1 calc R U . . .
H9C H 0.6974 0.0127 -0.2021 0.024 Uiso 1 1 calc R U . . .
C10 C 0.8306(2) 0.04197(8) 0.00217(19) 0.0163(5) Uani 1 1 d . . . . .
H10A H 0.8452 0.0135 0.0348 0.024 Uiso 1 1 calc R U . . .
H10B H 0.7427 0.0451 -0.0282 0.024 Uiso 1 1 calc R U . . .
H10C H 0.8545 0.0640 0.0577 0.024 Uiso 1 1 calc R U . . .
C11 C 1.0651(2) 0.18748(7) -0.17185(19) 0.0136(4) Uani 1 1 d . . . . .
C12 C 1.0729(2) 0.16902(7) -0.27428(19) 0.0140(4) Uani 1 1 d . . . . .
C13 C 0.9586(2) 0.17576(7) -0.34343(19) 0.0148(4) Uani 1 1 d . . . . .
C14 C 0.8810(2) 0.19945(7) -0.28545(19) 0.0150(4) Uani 1 1 d . . . . .
C15 C 0.9465(2) 0.20659(7) -0.17897(19) 0.0141(4) Uani 1 1 d . . . . .
C16 C 1.1699(2) 0.18966(8) -0.0770(2) 0.0205(5) Uani 1 1 d . . . . .
H16A H 1.2390 0.2057 -0.0980 0.031 Uiso 1 1 calc R U . . .
H16B H 1.1973 0.1605 -0.0553 0.031 Uiso 1 1 calc R U . . .
H16C H 1.1416 0.2041 -0.0160 0.031 Uiso 1 1 calc R U . . .
C17 C 1.1895(2) 0.15335(8) -0.3105(2) 0.0200(5) Uani 1 1 d . . . . .
H17A H 1.2216 0.1758 -0.3533 0.030 Uiso 1 1 calc R U . . .
H17B H 1.1711 0.1275 -0.3551 0.030 Uiso 1 1 calc R U . . .
H17C H 1.2515 0.1466 -0.2469 0.030 Uiso 1 1 calc R U . . .
C18 C 0.9282(3) 0.16274(9) -0.4608(2) 0.0235(5) Uani 1 1 d . . . . .
H18A H 0.9530 0.1856 -0.5064 0.035 Uiso 1 1 calc R U . . .
H18B H 0.8389 0.1578 -0.4803 0.035 Uiso 1 1 calc R U . . .
H18C H 0.9727 0.1363 -0.4722 0.035 Uiso 1 1 calc R U . . .
C19 C 0.7571(2) 0.21776(8) -0.3351(2) 0.0226(5) Uani 1 1 d . . . . .
H19A H 0.7685 0.2389 -0.3906 0.034 Uiso 1 1 calc R U . . .
H19B H 0.7191 0.2317 -0.2786 0.034 Uiso 1 1 calc R U . . .
H19C H 0.7032 0.1946 -0.3683 0.034 Uiso 1 1 calc R U . . .
C20 C 0.9039(2) 0.23389(8) -0.0927(2) 0.0216(5) Uani 1 1 d . . . . .
H20A H 0.9273 0.2638 -0.1021 0.032 Uiso 1 1 calc R U . . .
H20B H 0.9430 0.2238 -0.0209 0.032 Uiso 1 1 calc R U . . .
H20C H 0.8138 0.2318 -0.0990 0.032 Uiso 1 1 calc R U . . .
C21 C 0.5025(2) 0.17249(8) 0.0189(2) 0.0170(5) Uani 1 1 d . . . . .
C22 C 0.5340(2) 0.15279(7) -0.07517(19) 0.0142(4) Uani 1 1 d . . . . .
C23 C 0.5260(2) 0.10764(7) -0.06285(19) 0.0131(4) Uani 1 1 d . . . . .
C24 C 0.4899(2) 0.09934(8) 0.03923(19) 0.0153(4) Uani 1 1 d . . . . .
C25 C 0.4718(2) 0.13953(8) 0.0881(2) 0.0167(5) Uani 1 1 d . . . . .
C26 C 0.4942(2) 0.22032(8) 0.0347(2) 0.0242(6) Uani 1 1 d . . . . .
H26A H 0.4258 0.2319 -0.0178 0.036 Uiso 1 1 calc R U . . .
H26B H 0.5719 0.2338 0.0237 0.036 Uiso 1 1 calc R U . . .
H26C H 0.4796 0.2263 0.1085 0.036 Uiso 1 1 calc R U . . .
C27 C 0.5591(2) 0.17527(8) -0.1754(2) 0.0190(5) Uani 1 1 d . . . . .
H27A H 0.4814 0.1788 -0.2261 0.028 Uiso 1 1 calc R U . . .
H27B H 0.6168 0.1581 -0.2097 0.028 Uiso 1 1 calc R U . . .
H27C H 0.5954 0.2035 -0.1557 0.028 Uiso 1 1 calc R U . . .
C28 C 0.5367(2) 0.07554(8) -0.15029(19) 0.0164(5) Uani 1 1 d . . . . .
H28A H 0.4643 0.0778 -0.2077 0.025 Uiso 1 1 calc R U . . .
H28B H 0.5408 0.0466 -0.1196 0.025 Uiso 1 1 calc R U . . .
H28C H 0.6119 0.0813 -0.1806 0.025 Uiso 1 1 calc R U . . .
C29 C 0.4669(2) 0.05569(8) 0.0835(2) 0.0205(5) Uani 1 1 d . . . . .
H29A H 0.3929 0.0431 0.0402 0.031 Uiso 1 1 calc R U . . .
H29B H 0.4547 0.0585 0.1590 0.031 Uiso 1 1 calc R U . . .
H29C H 0.5383 0.0371 0.0802 0.031 Uiso 1 1 calc R U . . .
C30 C 0.4052(2) 0.14498(10) 0.1833(2) 0.0259(6) Uani 1 1 d . . . . .
H30A H 0.3179 0.1372 0.1616 0.039 Uiso 1 1 calc R U . . .
H30B H 0.4113 0.1749 0.2074 0.039 Uiso 1 1 calc R U . . .
H30C H 0.4430 0.1263 0.2427 0.039 Uiso 1 1 calc R U . . .
C31 C 0.8260(2) 0.18755(7) 0.22907(19) 0.0149(4) Uani 1 1 d . . . . .
C32 C 0.9163(2) 0.15560(7) 0.21973(18) 0.0140(4) Uani 1 1 d . . . . .
C33 C 0.8748(2) 0.11661(7) 0.26067(18) 0.0142(4) Uani 1 1 d . . . . .
C34 C 0.7599(2) 0.12476(7) 0.29587(18) 0.0144(4) Uani 1 1 d . . . . .
C35 C 0.7319(2) 0.16891(7) 0.27892(18) 0.0146(4) Uani 1 1 d . . . . .
C36 C 0.8368(3) 0.23474(8) 0.2051(2) 0.0230(5) Uani 1 1 d . . . . .
H36A H 0.8791 0.2495 0.2701 0.034 Uiso 1 1 calc R U . . .
H36B H 0.7539 0.2470 0.1837 0.034 Uiso 1 1 calc R U . . .
H36C H 0.8843 0.2384 0.1460 0.034 Uiso 1 1 calc R U . . .
C37 C 1.0407(2) 0.16514(9) 0.1891(2) 0.0222(5) Uani 1 1 d . . . . .
H37A H 1.0781 0.1897 0.2311 0.033 Uiso 1 1 calc R U . . .
H37B H 1.0302 0.1718 0.1115 0.033 Uiso 1 1 calc R U . . .
H37C H 1.0946 0.1401 0.2047 0.033 Uiso 1 1 calc R U . . .
C38 C 0.9442(2) 0.07490(8) 0.2826(2) 0.0194(5) Uani 1 1 d . . . . .
H38A H 0.9697 0.0712 0.3610 0.029 Uiso 1 1 calc R U . . .
H38B H 1.0176 0.0753 0.2474 0.029 Uiso 1 1 calc R U . . .
H38C H 0.8904 0.0510 0.2538 0.029 Uiso 1 1 calc R U . . .
C39 C 0.6929(2) 0.09276(8) 0.3550(2) 0.0222(5) Uani 1 1 d . . . . .
H39A H 0.7403 0.0878 0.4276 0.033 Uiso 1 1 calc R U . . .
H39B H 0.6837 0.0657 0.3146 0.033 Uiso 1 1 calc R U . . .
H39C H 0.6109 0.1040 0.3613 0.033 Uiso 1 1 calc R U . . .
C40 C 0.6385(2) 0.19434(8) 0.3282(2) 0.0211(5) Uani 1 1 d . . . . .
H40A H 0.6802 0.2090 0.3935 0.032 Uiso 1 1 calc R U . . .
H40B H 0.5753 0.1749 0.3476 0.032 Uiso 1 1 calc R U . . .
H40C H 0.5993 0.2156 0.2757 0.032 Uiso 1 1 calc R U . . .
C41 C 0.3752(3) 0.06069(9) 0.5401(2) 0.0226(5) Uani 1 1 d . . . . .
C42 C 0.2628(2) 0.07199(9) 0.4754(2) 0.0233(5) Uani 1 1 d . . . . .
H42A H 0.1991 0.0512 0.4600 0.028 Uiso 1 1 calc R U . . .
C43 C 0.2432(3) 0.11277(9) 0.4338(2) 0.0268(6) Uani 1 1 d . . . . .
H43A H 0.1663 0.1197 0.3900 0.032 Uiso 1 1 calc R U . . .
C44 C 0.3343(3) 0.14367(10) 0.4552(2) 0.0315(7) Uani 1 1 d . . . . .
H44A H 0.3205 0.1718 0.4265 0.038 Uiso 1 1 calc R U . . .
C45 C 0.4457(3) 0.13316(10) 0.5189(2) 0.0324(7) Uani 1 1 d . . . . .
H45A H 0.5087 0.1543 0.5343 0.039 Uiso 1 1 calc R U . . .
C46 C 0.4664(3) 0.09211(10) 0.5606(2) 0.0278(6) Uani 1 1 d . . . . .
H46A H 0.5438 0.0853 0.6037 0.033 Uiso 1 1 calc R U . . .
C47 C 0.3941(3) 0.01653(10) 0.5883(3) 0.0352(7) Uani 1 1 d . . . . .
H47A H 0.3679 -0.0050 0.5319 0.053 Uiso 1 1 calc R U . . .
H47B H 0.3450 0.0134 0.6464 0.053 Uiso 1 1 calc R U . . .
H47C H 0.4819 0.0124 0.6179 0.053 Uiso 1 1 calc R U . . .


_geom_special_details            
; 
 All esds (except the esd in the dihedral angle between two l.s. planes) 
 are estimated using the full covariance matrix.  The cell esds are taken 
 into account individually in the estimation of esds in distances, angles 
 and torsion angles; correlations between esds in cell parameters are only 
 used when they are defined by crystal symmetry.  An approximate (isotropic) 
 treatment of cell esds is used for estimating esds involving l.s. planes. 
;

loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_site_symmetry_2
_geom_bond_publ_flag
Dy1 H1 1.98(3) . ?
Dy1 H2 2.27(3) . ?
Dy1 Cnt1 2.396 . ?
Dy1 Cnt2 2.387 . ?
Dy1 Cnt3 2.337 . ?
Dy1 Cnt4 2.354 . ?
Dy1 C11 2.656(2) . ?
Dy1 C1 2.663(2) . ?
Dy1 C15 2.665(2) . ?
Dy1 C5 2.668(2) . ?
Dy1 C13 2.680(2) . ?
Dy1 C12 2.684(2) . ?
Dy1 C14 2.685(2) . ?
Dy1 C3 2.686(2) . ?
Dy1 C2 2.696(2) . ?
Dy1 C4 2.701(2) . ?
Dy2 H2 2.13(3) . ?
Dy2 C21 2.612(2) . ?
Dy2 C22 2.616(2) . ?
Dy2 C34 2.632(2) . ?
Dy2 C31 2.633(2) . ?
Dy2 C23 2.634(2) . ?
Dy2 C24 2.637(2) . ?
Dy2 C33 2.650(2) . ?
Dy2 C35 2.657(2) . ?
Dy2 C25 2.658(2) . ?
Dy2 C32 2.661(2) . ?
C1 C2 1.418(3) . ?
C1 C5 1.423(3) . ?
C1 C6 1.500(3) . ?
C2 C3 1.419(3) . ?
C2 C7 1.508(3) . ?
C3 C4 1.422(3) . ?
C3 C8 1.505(3) . ?
C4 C5 1.419(3) . ?
C4 C9 1.508(3) . ?
C5 C10 1.508(3) . ?
C11 C15 1.420(3) . ?
C11 C12 1.420(3) . ?
C11 C16 1.509(3) . ?
C12 C13 1.414(3) . ?
C12 C17 1.508(3) . ?
C13 C14 1.415(3) . ?
C13 C18 1.506(3) . ?
C14 C15 1.421(3) . ?
C14 C19 1.508(3) . ?
C15 C20 1.508(3) . ?
C21 C22 1.420(3) . ?
C21 C25 1.420(3) . ?
C21 C26 1.509(3) . ?
C22 C23 1.420(3) . ?
C22 C27 1.501(3) . ?
C23 C24 1.423(3) . ?
C23 C28 1.501(3) . ?
C24 C25 1.422(3) . ?
C24 C29 1.506(3) . ?
C25 C30 1.508(3) . ?
C31 C35 1.417(3) . ?
C31 C32 1.423(3) . ?
C31 C36 1.510(3) . ?
C32 C33 1.423(3) . ?
C32 C37 1.507(3) . ?
C33 C34 1.425(3) . ?
C33 C38 1.508(3) . ?
C34 C35 1.419(3) . ?
C34 C39 1.505(3) . ?
C35 C40 1.506(3) . ?
C41 C46 1.393(4) . ?
C41 C42 1.401(4) . ?
C41 C47 1.503(4) . ?
C42 C43 1.377(4) . ?
C43 C44 1.381(4) . ?
C44 C45 1.381(5) . ?
C45 C46 1.386(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
Cnt1 Dy1 H1 101.1 . . ?
Cnt1 Dy1 H2 102.5 . . ?
Cnt2 Dy1 H1 102.0 . . ?
Cnt2 Dy1 H2 106.6 . . ?
Cnt1 Dy1 Cnt2 139.0 . . ?
Cnt3 Dy2 H2 108.3 . . ?
Cnt4 Dy2 H2 112.8 . . ?
Cnt3 Dy2 Cnt4 135.1 . . ?
H1 Dy1 H2 99.2(12) . . ?
H1 Dy1 C11 128.8(10) . . ?
H2 Dy1 C11 96.1(8) . . ?
H1 Dy1 C1 125.6(9) . . ?
H2 Dy1 C1 86.6(8) . . ?
C11 Dy1 C1 103.70(7) . . ?
H1 Dy1 C15 106.0(9) . . ?
H2 Dy1 C15 79.7(8) . . ?
C11 Dy1 C15 30.95(7) . . ?
C1 Dy1 C15 128.16(7) . . ?
H1 Dy1 C5 97.7(9) . . ?
H2 Dy1 C5 76.7(8) . . ?
C11 Dy1 C5 133.30(7) . . ?
C1 Dy1 C5 30.96(7) . . ?
C15 Dy1 C5 148.78(7) . . ?
H1 Dy1 C13 82.0(10) . . ?
H2 Dy1 C13 127.8(8) . . ?
C11 Dy1 C13 50.93(7) . . ?
C1 Dy1 C13 134.53(7) . . ?
C15 Dy1 C13 50.85(7) . . ?
C5 Dy1 C13 155.42(7) . . ?
H1 Dy1 C12 111.5(10) . . ?
H2 Dy1 C12 126.5(8) . . ?
C11 Dy1 C12 30.84(7) . . ?
C1 Dy1 C12 107.11(7) . . ?
C15 Dy1 C12 50.82(7) . . ?
C5 Dy1 C12 136.31(7) . . ?
C13 Dy1 C12 30.57(7) . . ?
H1 Dy1 C14 78.7(9) . . ?
H2 Dy1 C14 97.9(8) . . ?
C11 Dy1 C14 50.92(7) . . ?
C1 Dy1 C14 154.46(7) . . ?
C15 Dy1 C14 30.80(7) . . ?
C5 Dy1 C14 173.05(7) . . ?
C13 Dy1 C14 30.59(7) . . ?
C12 Dy1 C14 50.52(7) . . ?
H1 Dy1 C3 86.7(10) . . ?
H2 Dy1 C3 127.4(8) . . ?
C11 Dy1 C3 120.26(7) . . ?
C1 Dy1 C3 50.80(7) . . ?
C15 Dy1 C3 148.60(7) . . ?
C5 Dy1 C3 50.81(7) . . ?
C13 Dy1 C3 104.82(7) . . ?
C12 Dy1 C3 97.90(7) . . ?
C14 Dy1 C3 134.18(7) . . ?
H1 Dy1 C2 117.3(10) . . ?
H2 Dy1 C2 117.3(8) . . ?
C11 Dy1 C2 97.48(7) . . ?
C1 Dy1 C2 30.68(7) . . ?
C15 Dy1 C2 128.36(7) . . ?
C5 Dy1 C2 50.77(7) . . ?
C13 Dy1 C2 107.46(7) . . ?
C12 Dy1 C2 86.40(7) . . ?
C14 Dy1 C2 136.18(7) . . ?
C3 Dy1 C2 30.57(7) . . ?
H1 Dy1 C4 75.2(9) . . ?
H2 Dy1 C4 100.6(8) . . ?
C11 Dy1 C4 147.85(7) . . ?
C1 Dy1 C4 50.70(7) . . ?
C15 Dy1 C4 178.73(7) . . ?
C5 Dy1 C4 30.63(7) . . ?
C13 Dy1 C4 129.26(7) . . ?
C12 Dy1 C4 128.45(7) . . ?
C14 Dy1 C4 150.04(7) . . ?
C3 Dy1 C4 30.59(7) . . ?
C2 Dy1 C4 50.41(7) . . ?
H2 Dy2 C21 108.7(8) . . ?
H2 Dy2 C22 82.9(8) . . ?
C21 Dy2 C22 31.52(7) . . ?
H2 Dy2 C34 134.6(8) . . ?
C21 Dy2 C34 112.04(8) . . ?
C22 Dy2 C34 141.76(7) . . ?
H2 Dy2 C31 101.1(8) . . ?
C21 Dy2 C31 101.87(7) . . ?
C22 Dy2 C31 125.71(7) . . ?
C34 Dy2 C31 51.63(7) . . ?
H2 Dy2 C23 89.4(8) . . ?
C21 Dy2 C23 51.99(7) . . ?
C22 Dy2 C23 31.39(7) . . ?
C34 Dy2 C23 131.96(7) . . ?
C31 Dy2 C23 153.87(7) . . ?
H2 Dy2 C24 119.9(8) . . ?
C21 Dy2 C24 52.01(7) . . ?
C22 Dy2 C24 51.94(7) . . ?
C34 Dy2 C24 100.92(7) . . ?
C31 Dy2 C24 135.80(7) . . ?
C23 Dy2 C24 31.32(7) . . ?
H2 Dy2 C33 103.8(8) . . ?
C21 Dy2 C33 141.75(7) . . ?
C22 Dy2 C33 173.01(7) . . ?
C34 Dy2 C33 31.31(7) . . ?
C31 Dy2 C33 51.47(7) . . ?
C23 Dy2 C33 148.75(7) . . ?
C24 Dy2 C33 124.34(7) . . ?
H2 Dy2 C35 132.1(8) . . ?
C21 Dy2 C35 91.23(7) . . ?
C22 Dy2 C35 122.43(7) . . ?
C34 Dy2 C35 31.11(7) . . ?
C31 Dy2 C35 31.07(7) . . ?
C23 Dy2 C35 134.37(7) . . ?
C24 Dy2 C35 106.81(7) . . ?
C33 Dy2 C35 51.36(7) . . ?
H2 Dy2 C25 134.5(8) . . ?
C21 Dy2 C25 31.26(8) . . ?
C22 Dy2 C25 51.62(7) . . ?
C34 Dy2 C25 90.83(7) . . ?
C31 Dy2 C25 107.19(7) . . ?
C23 Dy2 C25 51.48(7) . . ?
C24 Dy2 C25 31.16(7) . . ?
C33 Dy2 C25 121.78(7) . . ?
C35 Dy2 C25 82.94(7) . . ?
H2 Dy2 C32 85.7(8) . . ?
C21 Dy2 C32 132.83(7) . . ?
C22 Dy2 C32 150.14(7) . . ?
C34 Dy2 C32 51.65(7) . . ?
C31 Dy2 C32 31.18(7) . . ?
C23 Dy2 C32 174.17(7) . . ?
C24 Dy2 C32 152.56(7) . . ?
C33 Dy2 C32 31.08(7) . . ?
C35 Dy2 C32 51.37(7) . . ?
C25 Dy2 C32 134.30(7) . . ?
C2 C1 C5 108.1(2) . . ?
C2 C1 C6 125.9(2) . . ?
C5 C1 C6 125.8(2) . . ?
C2 C1 Dy1 75.91(13) . . ?
C5 C1 Dy1 74.72(12) . . ?
C6 C1 Dy1 119.87(15) . . ?
C1 C2 C3 107.97(19) . . ?
C1 C2 C7 124.5(2) . . ?
C3 C2 C7 126.4(2) . . ?
C1 C2 Dy1 73.41(12) . . ?
C3 C2 Dy1 74.36(12) . . ?
C7 C2 Dy1 127.62(15) . . ?
C2 C3 C4 108.0(2) . . ?
C2 C3 C8 126.8(2) . . ?
C4 C3 C8 125.1(2) . . ?
C2 C3 Dy1 75.07(13) . . ?
C4 C3 Dy1 75.29(12) . . ?
C8 C3 Dy1 117.82(15) . . ?
C5 C4 C3 107.98(19) . . ?
C5 C4 C9 127.9(2) . . ?
C3 C4 C9 123.6(2) . . ?
C5 C4 Dy1 73.40(12) . . ?
C3 C4 Dy1 74.12(12) . . ?
C9 C4 Dy1 124.96(15) . . ?
C4 C5 C1 107.88(19) . . ?
C4 C5 C10 127.7(2) . . ?
C1 C5 C10 124.2(2) . . ?
C4 C5 Dy1 75.97(12) . . ?
C1 C5 Dy1 74.32(12) . . ?
C10 C5 Dy1 119.66(14) . . ?
C15 C11 C12 107.9(2) . . ?
C15 C11 C16 126.8(2) . . ?
C12 C11 C16 125.1(2) . . ?
C15 C11 Dy1 74.89(13) . . ?
C12 C11 Dy1 75.65(13) . . ?
C16 C11 Dy1 119.96(15) . . ?
C13 C12 C11 108.1(2) . . ?
C13 C12 C17 125.0(2) . . ?
C11 C12 C17 125.8(2) . . ?
C13 C12 Dy1 74.57(13) . . ?
C11 C12 Dy1 73.51(12) . . ?
C17 C12 Dy1 127.38(15) . . ?
C12 C13 C14 108.1(2) . . ?
C12 C13 C18 125.8(2) . . ?
C14 C13 C18 125.9(2) . . ?
C12 C13 Dy1 74.86(13) . . ?
C14 C13 Dy1 74.91(13) . . ?
C18 C13 Dy1 119.64(15) . . ?
C13 C14 C15 108.0(2) . . ?
C13 C14 C19 124.4(2) . . ?
C15 C14 C19 127.3(2) . . ?
C13 C14 Dy1 74.50(13) . . ?
C15 C14 Dy1 73.83(13) . . ?
C19 C14 Dy1 123.08(15) . . ?
C11 C15 C14 107.9(2) . . ?
C11 C15 C20 125.6(2) . . ?
C14 C15 C20 126.2(2) . . ?
C11 C15 Dy1 74.17(12) . . ?
C14 C15 Dy1 75.37(13) . . ?
C20 C15 Dy1 121.68(15) . . ?
C22 C21 C25 107.9(2) . . ?
C22 C21 C26 124.4(2) . . ?
C25 C21 C26 127.5(2) . . ?
C22 C21 Dy2 74.40(13) . . ?
C25 C21 Dy2 76.17(13) . . ?
C26 C21 Dy2 119.28(16) . . ?
C21 C22 C23 108.1(2) . . ?
C21 C22 C27 126.4(2) . . ?
C23 C22 C27 125.2(2) . . ?
C21 C22 Dy2 74.08(13) . . ?
C23 C22 Dy2 75.02(13) . . ?
C27 C22 Dy2 121.55(15) . . ?
C22 C23 C24 108.0(2) . . ?
C22 C23 C28 124.6(2) . . ?
C24 C23 C28 126.9(2) . . ?
C22 C23 Dy2 73.58(13) . . ?
C24 C23 Dy2 74.44(13) . . ?
C28 C23 Dy2 124.37(15) . . ?
C25 C24 C23 107.8(2) . . ?
C25 C24 C29 126.4(2) . . ?
C23 C24 C29 125.7(2) . . ?
C25 C24 Dy2 75.24(13) . . ?
C23 C24 Dy2 74.24(13) . . ?
C29 C24 Dy2 119.56(15) . . ?
C21 C25 C24 108.1(2) . . ?
C21 C25 C30 126.6(2) . . ?
C24 C25 C30 124.0(2) . . ?
C21 C25 Dy2 72.57(13) . . ?
C24 C25 Dy2 73.60(13) . . ?
C30 C25 Dy2 129.75(16) . . ?
C35 C31 C32 108.5(2) . . ?
C35 C31 C36 125.0(2) . . ?
C32 C31 C36 125.9(2) . . ?
C35 C31 Dy2 75.38(13) . . ?
C32 C31 Dy2 75.49(13) . . ?
C36 C31 Dy2 122.02(16) . . ?
C33 C32 C31 107.4(2) . . ?
C33 C32 C37 128.2(2) . . ?
C31 C32 C37 123.7(2) . . ?
C33 C32 Dy2 74.00(13) . . ?
C31 C32 Dy2 73.32(13) . . ?
C37 C32 Dy2 125.90(16) . . ?
C32 C33 C34 108.1(2) . . ?
C32 C33 C38 128.3(2) . . ?
C34 C33 C38 122.8(2) . . ?
C32 C33 Dy2 74.92(13) . . ?
C34 C33 Dy2 73.67(13) . . ?
C38 C33 Dy2 124.80(15) . . ?
C35 C34 C33 107.9(2) . . ?
C35 C34 C39 127.2(2) . . ?
C33 C34 C39 124.3(2) . . ?
C35 C34 Dy2 75.40(13) . . ?
C33 C34 Dy2 75.02(13) . . ?
C39 C34 Dy2 122.30(16) . . ?
C31 C35 C34 107.9(2) . . ?
C31 C35 C40 124.0(2) . . ?
C34 C35 C40 126.5(2) . . ?
C31 C35 Dy2 73.56(13) . . ?
C34 C35 Dy2 73.49(13) . . ?
C40 C35 Dy2 129.87(16) . . ?
C46 C41 C42 117.7(3) . . ?
C46 C41 C47 121.5(3) . . ?
C42 C41 C47 120.7(3) . . ?
C43 C42 C41 121.1(2) . . ?
C42 C43 C44 120.6(3) . . ?
C43 C44 C45 119.2(3) . . ?
C44 C45 C46 120.6(3) . . ?
C45 C46 C41 120.8(3) . . ?

_refine_diff_density_max         0.977
_refine_diff_density_min         -1.164
_refine_diff_density_rms         0.088

_shelxl_version_number           2013-3

_database_code_depnum_ccdc_archive 'CCDC 1008455'
#######################################################################
#
#                 Cambridge Crystallographic Data Centre
#                                CCDC 
# 
#######################################################################
# 
#  This CIF contains data from an original supplementary publication
#  deposited with the CCDC, and may include chemical, crystal,
#  experimental, refinement, atomic coordinates,
#  anisotropic displacement parameters and molecular geometry data,
#  as required by the journal to which it was submitted.
#
#  This CIF is provided on the understanding that it is used for bona
#  fide research purposes only. It may contain copyright material
#  of the CCDC or of third parties, and may not be copied or further
#  disseminated in any form, whether machine-readable or not,
#  except for the purpose of generating routine backup copies
#  on your local computer system.
# 
#  For further information on the CCDC, data deposition and
#  data retrieval see:
#                         www.ccdc.cam.ac.uk
#
#  Bona fide researchers may freely download Mercury and enCIFer
#  from this site to visualise CIF-encoded structures and 
#  to carry out CIF format checking respectively.
#
data_ssl14

_audit_creation_method           SHELXL-2013
_chemical_name_systematic        
; 
 ? 
;
_chemical_name_common            ?
_chemical_melting_point          ?
_chemical_formula_moiety         ?
_chemical_formula_sum            'C40 H62 Dy2'
_chemical_formula_weight         867.89

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'

_space_group_crystal_system      triclinic
_space_group_IT_number           2
_space_group_name_H-M_alt        'P -1'
_space_group_name_Hall           '-P 1'

_shelx_space_group_comment       
; 
The symmetry employed for this shelxl refinement is uniquely defined 
by the following loop, which should always be used as a source of 
symmetry information in preference to the above space-group names. 
They are only intended as comments. 
;

loop_
_space_group_symop_operation_xyz
'x, y, z'
'-x, -y, -z'

_cell_length_a                   10.6726(6)
_cell_length_b                   10.7773(6)
_cell_length_c                   17.0691(9)
_cell_angle_alpha                100.7439(5)
_cell_angle_beta                 103.4896(5)
_cell_angle_gamma                97.8657(6)
_cell_volume                     1841.97(18)
_cell_formula_units_Z            2
_cell_measurement_temperature    143(2)
_cell_measurement_reflns_used    9962
_cell_measurement_theta_min      2.52
_cell_measurement_theta_max      28.38

_exptl_crystal_description       irregular
_exptl_crystal_colour            pale_pink
_exptl_crystal_density_meas      not_measured
_exptl_crystal_density_method    not_measured
_exptl_crystal_density_diffrn    1.565
_exptl_crystal_F_000             868
_exptl_transmission_factor_min   ?
_exptl_transmission_factor_max   ?
_exptl_crystal_size_max          0.333
_exptl_crystal_size_mid          0.275
_exptl_crystal_size_min          0.232
_exptl_absorpt_coefficient_mu    4.050
_shelx_estimated_absorpt_T_min   0.346
_shelx_estimated_absorpt_T_max   0.453
_exptl_absorpt_correction_type   numerical
_exptl_absorpt_correction_T_min  0.3802
_exptl_absorpt_correction_T_max  0.5284
_exptl_absorpt_process_details   'Bruker SADABS 2008/1'

_exptl_special_details           
; 
 ? 
;

_diffrn_ambient_temperature      143(2)
_diffrn_radiation_wavelength     0.71073
_diffrn_radiation_type           MoK\a
_diffrn_source                   'fine-focus sealed tube'
_diffrn_measurement_device_type  'Bruker SMART APEX II CCD'
_diffrn_measurement_method       'φ and ω scans'
_diffrn_detector_area_resol_mean ?
_diffrn_reflns_number            21479
_diffrn_reflns_av_unetI/netI     0.0176
_diffrn_reflns_av_R_equivalents  0.0143
_diffrn_reflns_limit_h_min       -14
_diffrn_reflns_limit_h_max       14
_diffrn_reflns_limit_k_min       -13
_diffrn_reflns_limit_k_max       14
_diffrn_reflns_limit_l_min       -22
_diffrn_reflns_limit_l_max       21
_diffrn_reflns_theta_min         1.260
_diffrn_reflns_theta_max         28.515
_diffrn_reflns_theta_full        25.242
_diffrn_measured_fraction_theta_max 0.904
_diffrn_measured_fraction_theta_full 0.997
_diffrn_reflns_Laue_measured_fraction_max 0.904
_diffrn_reflns_Laue_measured_fraction_full 0.997
_diffrn_reflns_point_group_measured_fraction_max 0.904
_diffrn_reflns_point_group_measured_fraction_full 0.997
_reflns_number_total             8455
_reflns_number_gt                7765
_reflns_threshold_expression     'I > 2σ(I)'
_reflns_Friedel_coverage         0.000
_reflns_Friedel_fraction_max     .
_reflns_Friedel_fraction_full    .

_reflns_special_details          
; 
 Reflections were merged by SHELXL according to the crystal 
 class for the calculation of statistics and refinement. 
  
 _reflns_Friedel_fraction is defined as the number of unique 
 Friedel pairs measured divided by the number that would be 
 possible theoretically, ignoring centric projections and 
 systematic absences. 
;

_computing_data_collection       'Bruker APEX2 2011.4-1, 2011'
_computing_cell_refinement       'Bruker SAINT 7.68a, 2009'
_computing_data_reduction        'Bruker SAINT 7.68a, 2009'
_computing_structure_solution    'Bruker SHELXTL 2008/4'
_computing_structure_refinement  'SHELXL-2013 (Sheldrick, 2013)'
_computing_molecular_graphics    'Bruker SHELXTL'
_computing_publication_material  'Bruker SHELXTL'

_refine_special_details          
; 
 A pale pink crystal of approximate dimensions 0.232 x 0.275 x 0.333 mm was mounted on a 
 glass fiber and transferred to a Bruker SMART APEX II diffractometer.  The APEX2 program
 package was used to determine the unit-cell parameters and for data collection (10 sec/frame
 scan time for a sphere of diffraction data).  The raw frame data was processed using SAINT
 and SADABS to yield the reflection data file.  Subsequent calculations were carried out using
 the SHELXTL program.  There were no systematic absences nor any diffraction symmetry other
 than the Friedel condition.  The centrosymmetric triclinic space group P-1 was assigned and
 later determined to be correct.

 The structure was solved by direct methods and refined on F2 by full-matrix least-squares
 techniques.  The analytical scattering factors6 for neutral atoms were used throughout the
 analysis. Hydride atoms H(1) and H(2) atoms were located from a difference-Fourier map and
 refined (x,y,z and Uiso).  The remaining hydrogen atoms were included using a riding model.
 The pentamethylcyclopenadienyl ligand defined by atoms C(31)-C(40) was disordered and included
 using multiple components, partial site-occupancy-factors and isotropic thermal parameters.

 At convergence, wR2 = 0.0484 and Goof = 1.017 for 403 variables refined against 8455 
 data (0.74), R1 = 0.0200 for those 7765 data with I > 2.0sigma(I).
;
_refine_ls_structure_factor_coef Fsqd
_refine_ls_matrix_type           full
_refine_ls_weighting_scheme      calc
_refine_ls_weighting_details     
'w=1/[σ²(Fo²)+(0.0223P)²+2.5550P] where P=(Fo²+2Fc²)/3'
_atom_sites_solution_primary     direct
_atom_sites_solution_secondary   difmap
_atom_sites_solution_hydrogens   mixed
_refine_ls_hydrogen_treatment    mixed
_refine_ls_extinction_method     none
_refine_ls_extinction_coef       ?
_refine_ls_number_reflns         8455
_refine_ls_number_parameters     403
_refine_ls_number_restraints     0
_refine_ls_R_factor_all          0.0225
_refine_ls_R_factor_gt           0.0200
_refine_ls_wR_factor_ref         0.0484
_refine_ls_wR_factor_gt          0.0472
_refine_ls_goodness_of_fit_ref   1.017
_refine_ls_restrained_S_all      1.017
_refine_ls_shift/su_max          0.045
_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_site_symmetry_order
_atom_site_calc_flag
_atom_site_refinement_flags_posn
_atom_site_refinement_flags_adp
_atom_site_refinement_flags_occupancy
_atom_site_disorder_assembly
_atom_site_disorder_group
Dy1 Dy 0.13556(2) 0.01485(2) 0.27359(2) 0.01706(3) Uani 1 1 d . . . . .
Dy2 Dy 0.38672(2) 0.31905(2) 0.21938(2) 0.01891(3) Uani 1 1 d . . . . .
H1 H 0.257(3) -0.100(3) 0.289(2) 0.049(10) Uiso 1 1 d . . . . .
H2 H 0.270(3) 0.201(3) 0.2688(19) 0.031(8) Uiso 1 1 d . . . . .
C1 C -0.0197(2) 0.0280(2) 0.12967(14) 0.0191(5) Uani 1 1 d . . . . .
C2 C -0.0833(2) -0.0824(2) 0.14882(14) 0.0207(5) Uani 1 1 d . . . . .
C3 C -0.0027(3) -0.1760(2) 0.14521(15) 0.0214(5) Uani 1 1 d . . . . .
C4 C 0.1082(2) -0.1266(2) 0.12084(14) 0.0190(5) Uani 1 1 d . . . . .
C5 C 0.0985(2) 0.0004(2) 0.11191(14) 0.0175(4) Uani 1 1 d . . . . .
C6 C -0.0759(3) 0.1464(3) 0.12111(17) 0.0274(6) Uani 1 1 d . . . . .
H6A H -0.1192 0.1400 0.0628 0.041 Uiso 1 1 calc R U . . .
H6B H -0.0053 0.2222 0.1413 0.041 Uiso 1 1 calc R U . . .
H6C H -0.1400 0.1543 0.1537 0.041 Uiso 1 1 calc R U . . .
C7 C -0.2221(3) -0.1025(3) 0.15523(17) 0.0323(6) Uani 1 1 d . . . . .
H7A H -0.2367 -0.0248 0.1893 0.048 Uiso 1 1 calc R U . . .
H7B H -0.2378 -0.1753 0.1808 0.048 Uiso 1 1 calc R U . . .
H7C H -0.2824 -0.1205 0.0998 0.048 Uiso 1 1 calc R U . . .
C8 C -0.0306(3) -0.3083(3) 0.16144(18) 0.0318(6) Uani 1 1 d . . . . .
H8A H -0.0830 -0.3686 0.1102 0.048 Uiso 1 1 calc R U . . .
H8B H -0.0792 -0.3060 0.2037 0.048 Uiso 1 1 calc R U . . .
H8C H 0.0524 -0.3364 0.1810 0.048 Uiso 1 1 calc R U . . .
C9 C 0.2071(3) -0.2043(3) 0.09894(17) 0.0286(6) Uani 1 1 d . . . . .
H9A H 0.2520 -0.2322 0.1477 0.043 Uiso 1 1 calc R U . . .
H9B H 0.2714 -0.1514 0.0803 0.043 Uiso 1 1 calc R U . . .
H9C H 0.1622 -0.2799 0.0546 0.043 Uiso 1 1 calc R U . . .
C10 C 0.1900(2) 0.0895(2) 0.08282(16) 0.0229(5) Uani 1 1 d . . . . .
H10A H 0.1830 0.1787 0.1035 0.034 Uiso 1 1 calc R U . . .
H10B H 0.1662 0.0694 0.0222 0.034 Uiso 1 1 calc R U . . .
H10C H 0.2804 0.0782 0.1038 0.034 Uiso 1 1 calc R U . . .
C11 C 0.0126(3) 0.1144(3) 0.38094(15) 0.0269(6) Uani 1 1 d . . . . .
C12 C -0.0150(3) -0.0196(3) 0.37586(15) 0.0274(6) Uani 1 1 d . . . . .
C13 C 0.1032(3) -0.0580(3) 0.40953(16) 0.0289(6) Uani 1 1 d . . . . .
C14 C 0.2042(3) 0.0518(3) 0.43717(15) 0.0293(6) Uani 1 1 d . . . . .
C15 C 0.1489(3) 0.1591(3) 0.42008(15) 0.0288(6) Uani 1 1 d . . . . .
C16 C -0.0867(3) 0.1971(4) 0.3581(2) 0.0429(8) Uani 1 1 d . . . . .
H16A H -0.1428 0.1590 0.3021 0.064 Uiso 1 1 calc R U . . .
H16B H -0.0412 0.2835 0.3601 0.064 Uiso 1 1 calc R U . . .
H16C H -0.1409 0.2027 0.3973 0.064 Uiso 1 1 calc R U . . .
C17 C -0.1476(3) -0.1037(4) 0.35566(19) 0.0425(8) Uani 1 1 d . . . . .
H17A H -0.1503 -0.1835 0.3163 0.064 Uiso 1 1 calc R U . . .
H17B H -0.2149 -0.0586 0.3311 0.064 Uiso 1 1 calc R U . . .
H17C H -0.1641 -0.1241 0.4064 0.064 Uiso 1 1 calc R U . . .
C18 C 0.1142(4) -0.1909(4) 0.4207(2) 0.0483(9) Uani 1 1 d . . . . .
H18A H 0.2070 -0.1972 0.4373 0.072 Uiso 1 1 calc R U . . .
H18B H 0.0705 -0.2533 0.3685 0.072 Uiso 1 1 calc R U . . .
H18C H 0.0722 -0.2093 0.4637 0.072 Uiso 1 1 calc R U . . .
C19 C 0.3441(3) 0.0551(4) 0.48320(19) 0.0485(9) Uani 1 1 d . . . . .
H19A H 0.3468 0.0412 0.5387 0.073 Uiso 1 1 calc R U . . .
H19B H 0.3976 0.1389 0.4878 0.073 Uiso 1 1 calc R U . . .
H19C H 0.3788 -0.0129 0.4531 0.073 Uiso 1 1 calc R U . . .
C20 C 0.2177(4) 0.2965(3) 0.4482(2) 0.0492(9) Uani 1 1 d . . . . .
H20A H 0.2430 0.3210 0.5088 0.074 Uiso 1 1 calc R U . . .
H20B H 0.1589 0.3514 0.4262 0.074 Uiso 1 1 calc R U . . .
H20C H 0.2964 0.3071 0.4280 0.074 Uiso 1 1 calc R U . . .
C21 C 0.2218(3) 0.4552(2) 0.14830(18) 0.0278(6) Uani 1 1 d . . . . .
C22 C 0.2162(3) 0.4748(2) 0.23192(17) 0.0257(5) Uani 1 1 d . . . . .
C23 C 0.3403(3) 0.5438(3) 0.2830(2) 0.0358(7) Uani 1 1 d . . . . .
C24 C 0.4208(3) 0.5703(3) 0.2307(3) 0.0425(8) Uani 1 1 d . . . . .
C25 C 0.3493(3) 0.5130(3) 0.1482(2) 0.0391(8) Uani 1 1 d . . . . .
C26 C 0.1085(3) 0.4086(3) 0.07193(18) 0.0377(7) Uani 1 1 d . . . . .
H26A H 0.1035 0.4746 0.0395 0.057 Uiso 1 1 calc R U . . .
H26B H 0.0267 0.3913 0.0881 0.057 Uiso 1 1 calc R U . . .
H26C H 0.1216 0.3294 0.0385 0.057 Uiso 1 1 calc R U . . .
C27 C 0.0971(3) 0.4453(3) 0.26290(19) 0.0330(6) Uani 1 1 d . . . . .
H27A H 0.0178 0.4400 0.2188 0.050 Uiso 1 1 calc R U . . .
H27B H 0.1005 0.5138 0.3105 0.050 Uiso 1 1 calc R U . . .
H27C H 0.0955 0.3631 0.2796 0.050 Uiso 1 1 calc R U . . .
C28 C 0.3743(4) 0.5955(4) 0.3750(2) 0.0565(11) Uani 1 1 d . . . . .
H28A H 0.4556 0.5698 0.4013 0.085 Uiso 1 1 calc R U . . .
H28B H 0.3030 0.5608 0.3966 0.085 Uiso 1 1 calc R U . . .
H28C H 0.3865 0.6896 0.3870 0.085 Uiso 1 1 calc R U . . .
C29 C 0.5463(4) 0.6695(3) 0.2597(4) 0.0781(16) Uani 1 1 d . . . . .
H29A H 0.5263 0.7547 0.2773 0.117 Uiso 1 1 calc R U . . .
H29B H 0.5880 0.6695 0.2143 0.117 Uiso 1 1 calc R U . . .
H29C H 0.6059 0.6485 0.3064 0.117 Uiso 1 1 calc R U . . .
C30 C 0.3900(4) 0.5269(4) 0.0712(3) 0.0640(13) Uani 1 1 d . . . . .
H30A H 0.3645 0.4438 0.0312 0.096 Uiso 1 1 calc R U . . .
H30B H 0.4853 0.5552 0.0852 0.096 Uiso 1 1 calc R U . . .
H30C H 0.3466 0.5907 0.0471 0.096 Uiso 1 1 calc R U . . .
C31 C 0.5361(4) 0.1425(4) 0.2183(3) 0.0181(9) Uiso 0.611(4) 1 d . . P A 1
C32 C 0.5734(4) 0.2190(5) 0.3003(3) 0.0212(9) Uiso 0.611(4) 1 d . . P A 1
C33 C 0.6348(5) 0.3416(5) 0.2988(3) 0.0232(10) Uiso 0.611(4) 1 d . . P A 1
C34 C 0.6348(5) 0.3436(5) 0.2158(4) 0.0237(12) Uiso 0.611(4) 1 d . . P A 1
C35 C 0.5714(5) 0.2202(5) 0.1654(3) 0.0193(12) Uiso 0.611(4) 1 d . . P A 1
C36 C 0.4855(5) -0.0002(4) 0.1975(3) 0.0296(10) Uiso 0.611(4) 1 d . . P A 1
H36A H 0.4615 -0.0325 0.1373 0.044 Uiso 0.611(4) 1 calc R U P A 1
H36B H 0.4082 -0.0179 0.2181 0.044 Uiso 0.611(4) 1 calc R U P A 1
H36C H 0.5539 -0.0431 0.2234 0.044 Uiso 0.611(4) 1 calc R U P A 1
C37 C 0.5606(5) 0.1744(5) 0.3763(3) 0.0385(12) Uiso 0.611(4) 1 d . . P A 1
H37A H 0.6443 0.1547 0.4041 0.058 Uiso 0.611(4) 1 calc R U P A 1
H37B H 0.4922 0.0969 0.3609 0.058 Uiso 0.611(4) 1 calc R U P A 1
H37C H 0.5367 0.2422 0.4137 0.058 Uiso 0.611(4) 1 calc R U P A 1
C38 C 0.7046(6) 0.4476(5) 0.3738(3) 0.0432(13) Uiso 0.611(4) 1 d . . P A 1
H38A H 0.6471 0.4604 0.4106 0.065 Uiso 0.611(4) 1 calc R U P A 1
H38B H 0.7271 0.5275 0.3563 0.065 Uiso 0.611(4) 1 calc R U P A 1
H38C H 0.7849 0.4239 0.4033 0.065 Uiso 0.611(4) 1 calc R U P A 1
C39 C 0.7092(5) 0.4430(5) 0.1841(4) 0.0411(13) Uiso 0.611(4) 1 d . . P A 1
H39A H 0.7890 0.4149 0.1745 0.062 Uiso 0.611(4) 1 calc R U P A 1
H39B H 0.7331 0.5250 0.2250 0.062 Uiso 0.611(4) 1 calc R U P A 1
H39C H 0.6542 0.4537 0.1321 0.062 Uiso 0.611(4) 1 calc R U P A 1
C40 C 0.5541(5) 0.1752(5) 0.0744(3) 0.0332(11) Uiso 0.611(4) 1 d . . P A 1
H40A H 0.6294 0.1375 0.0651 0.050 Uiso 0.611(4) 1 calc R U P A 1
H40B H 0.5480 0.2483 0.0480 0.050 Uiso 0.611(4) 1 calc R U P A 1
H40C H 0.4735 0.1103 0.0504 0.050 Uiso 0.611(4) 1 calc R U P A 1
C31B C 0.5465(7) 0.1600(7) 0.2487(6) 0.0192(15) Uiso 0.389(4) 1 d . . P A 2
C32B C 0.5975(7) 0.2737(9) 0.3116(4) 0.0220(14) Uiso 0.389(4) 1 d . . P A 2
C33B C 0.6469(6) 0.3705(7) 0.2766(5) 0.0186(14) Uiso 0.389(4) 1 d . . P A 2
C34B C 0.6250(7) 0.3218(8) 0.1909(6) 0.0202(18) Uiso 0.389(4) 1 d . . P A 2
C35B C 0.5626(7) 0.1906(8) 0.1745(5) 0.0195(19) Uiso 0.389(4) 1 d . . P A 2
C36B C 0.5007(9) 0.0267(8) 0.2567(6) 0.043(2) Uiso 0.389(4) 1 d . . P A 2
H36D H 0.4352 -0.0207 0.2056 0.064 Uiso 0.389(4) 1 calc R U P A 2
H36E H 0.4615 0.0306 0.3033 0.064 Uiso 0.389(4) 1 calc R U P A 2
H36F H 0.5755 -0.0173 0.2662 0.064 Uiso 0.389(4) 1 calc R U P A 2
C37B C 0.6034(10) 0.2826(9) 0.4021(6) 0.049(2) Uiso 0.389(4) 1 d . . P A 2
H37D H 0.6929 0.3206 0.4360 0.073 Uiso 0.389(4) 1 calc R U P A 2
H37E H 0.5786 0.1963 0.4109 0.073 Uiso 0.389(4) 1 calc R U P A 2
H37F H 0.5427 0.3366 0.4180 0.073 Uiso 0.389(4) 1 calc R U P A 2
C38B C 0.7361(9) 0.4940(9) 0.3306(6) 0.044(2) Uiso 0.389(4) 1 d . . P A 2
H38D H 0.6898 0.5379 0.3674 0.066 Uiso 0.389(4) 1 calc R U P A 2
H38E H 0.7604 0.5502 0.2954 0.066 Uiso 0.389(4) 1 calc R U P A 2
H38F H 0.8154 0.4735 0.3637 0.066 Uiso 0.389(4) 1 calc R U P A 2
C39B C 0.6794(8) 0.3873(8) 0.1333(5) 0.0372(19) Uiso 0.389(4) 1 d . . P A 2
H39D H 0.6854 0.4803 0.1507 0.056 Uiso 0.389(4) 1 calc R U P A 2
H39E H 0.6218 0.3559 0.0771 0.056 Uiso 0.389(4) 1 calc R U P A 2
H39F H 0.7671 0.3687 0.1343 0.056 Uiso 0.389(4) 1 calc R U P A 2
C40B C 0.5344(8) 0.1031(8) 0.0887(5) 0.0330(17) Uiso 0.389(4) 1 d . . P A 2
H40D H 0.4793 0.0213 0.0865 0.050 Uiso 0.389(4) 1 calc R U P A 2
H40E H 0.6173 0.0870 0.0772 0.050 Uiso 0.389(4) 1 calc R U P A 2
H40F H 0.4886 0.1448 0.0471 0.050 Uiso 0.389(4) 1 calc R U P A 2


_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 Cnt1 2.394 . ?
Dy1 Cnt2 2.369 . ?
Dy2 Cnt3 2.356 . ?
Dy2 Cnt4 2.348 . ?
Dy1 H1 1.92(4) . ?
Dy1 H2 2.33(3) . ?
Dy1 C11 2.647(2) . ?
Dy1 C15 2.648(3) . ?
Dy1 C14 2.654(2) . ?
Dy1 C1 2.663(2) . ?
Dy1 C13 2.664(2) . ?
Dy1 C5 2.667(2) . ?
Dy1 C12 2.675(2) . ?
Dy1 C3 2.681(2) . ?
Dy1 C4 2.692(2) . ?
Dy1 C2 2.696(2) . ?
Dy2 H2 2.09(3) . ?
Dy2 C32B 2.591(7) . ?
Dy2 C31B 2.611(7) . ?
Dy2 C23 2.625(3) . ?
Dy2 C32 2.627(4) . ?
Dy2 C35 2.632(5) . ?
Dy2 C33 2.633(4) . ?
Dy2 C25 2.638(3) . ?
Dy2 C34 2.641(5) . ?
Dy2 C31 2.644(4) . ?
Dy2 C24 2.647(3) . ?
Dy2 C35B 2.648(7) . ?
Dy2 C22 2.657(2) . ?
Dy2 C33B 2.662(6) . ?
Dy2 C21 2.664(3) . ?
Dy2 C34B 2.695(7) . ?
C1 C2 1.418(3) . ?
C1 C5 1.420(3) . ?
C1 C6 1.499(3) . ?
C2 C3 1.413(4) . ?
C2 C7 1.500(4) . ?
C3 C4 1.413(3) . ?
C3 C8 1.506(3) . ?
C4 C5 1.420(3) . ?
C4 C9 1.505(3) . ?
C5 C10 1.506(3) . ?
C11 C12 1.415(4) . ?
C11 C15 1.424(4) . ?
C11 C16 1.505(4) . ?
C12 C13 1.409(4) . ?
C12 C17 1.500(4) . ?
C13 C14 1.411(4) . ?
C13 C18 1.497(4) . ?
C14 C15 1.415(4) . ?
C14 C19 1.509(4) . ?
C15 C20 1.495(4) . ?
C21 C25 1.418(4) . ?
C21 C22 1.420(4) . ?
C21 C26 1.506(4) . ?
C22 C23 1.421(4) . ?
C22 C27 1.504(4) . ?
C23 C24 1.414(5) . ?
C23 C28 1.503(5) . ?
C24 C25 1.412(5) . ?
C24 C29 1.511(5) . ?
C25 C30 1.503(5) . ?
C31 C35 1.418(7) . ?
C31 C32 1.420(6) . ?
C31 C36 1.504(6) . ?
C32 C33 1.400(7) . ?
C32 C37 1.494(7) . ?
C33 C34 1.421(7) . ?
C33 C38 1.509(7) . ?
C34 C35 1.422(7) . ?
C34 C39 1.501(7) . ?
C35 C40 1.498(7) . ?
C31B C35B 1.408(11) . ?
C31B C32B 1.415(10) . ?
C31B C36B 1.495(11) . ?
C32B C33B 1.396(10) . ?
C32B C37B 1.517(11) . ?
C33B C34B 1.411(10) . ?
C33B C38B 1.521(11) . ?
C34B C35B 1.425(11) . ?
C34B C39B 1.488(11) . ?
C35B C40B 1.526(10) . ?

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
Cnt1 Dy1 H1 100.3 . . ?
Cnt1 Dy1 H2 102.7 . . ?
Cnt2 Dy1 H1 100.2 . . ?
Cnt2 Dy1 H2 107.4 . . ?
Cnt1 Dy1 Cnt2 138.8 . . ?
Cnt3 Dy2 H2 111.8 . . ?
Cnt4 Dy2 H2 107.7 . . ?
Cnt3 Dy2 Cnt4 135.2 . . ?
H1 Dy1 H2 102.0(13) . . ?
H1 Dy1 C11 127.3(11) . . ?
H2 Dy1 C11 99.7(8) . . ?
H1 Dy1 C15 108.5(11) . . ?
H2 Dy1 C15 80.4(8) . . ?
C11 Dy1 C15 31.21(8) . . ?
H1 Dy1 C14 79.1(11) . . ?
H2 Dy1 C14 95.7(8) . . ?
C11 Dy1 C14 51.29(8) . . ?
C15 Dy1 C14 30.96(9) . . ?
H1 Dy1 C1 125.8(11) . . ?
H2 Dy1 C1 87.7(7) . . ?
C11 Dy1 C1 102.36(8) . . ?
C15 Dy1 C1 125.70(8) . . ?
C14 Dy1 C1 153.64(8) . . ?
H1 Dy1 C13 77.7(11) . . ?
H2 Dy1 C13 126.3(8) . . ?
C11 Dy1 C13 51.02(8) . . ?
C15 Dy1 C13 51.01(9) . . ?
C14 Dy1 C13 30.78(9) . . ?
C1 Dy1 C13 136.31(8) . . ?
H1 Dy1 C5 99.4(11) . . ?
H2 Dy1 C5 76.7(8) . . ?
C11 Dy1 C5 132.26(8) . . ?
C15 Dy1 C5 146.93(8) . . ?
C14 Dy1 C5 171.84(8) . . ?
C1 Dy1 C5 30.91(7) . . ?
C13 Dy1 C5 156.99(8) . . ?
H1 Dy1 C12 105.8(11) . . ?
H2 Dy1 C12 129.4(8) . . ?
C11 Dy1 C12 30.85(9) . . ?
C15 Dy1 C12 51.02(9) . . ?
C14 Dy1 C12 50.81(8) . . ?
C1 Dy1 C12 107.94(8) . . ?
C13 Dy1 C12 30.60(8) . . ?
C5 Dy1 C12 136.72(8) . . ?
H1 Dy1 C3 84.1(11) . . ?
H2 Dy1 C3 127.1(8) . . ?
C11 Dy1 C3 118.04(8) . . ?
C15 Dy1 C3 147.74(8) . . ?
C14 Dy1 C3 136.52(9) . . ?
C1 Dy1 C3 50.70(7) . . ?
C13 Dy1 C3 106.46(8) . . ?
C5 Dy1 C3 50.64(7) . . ?
C12 Dy1 C3 97.37(8) . . ?
H1 Dy1 C4 75.0(11) . . ?
H2 Dy1 C4 99.8(8) . . ?
C11 Dy1 C4 145.77(8) . . ?
C15 Dy1 C4 176.43(8) . . ?
C14 Dy1 C4 152.02(8) . . ?
C1 Dy1 C4 50.83(7) . . ?
C13 Dy1 C4 130.20(8) . . ?
C5 Dy1 C4 30.73(7) . . ?
C12 Dy1 C4 127.75(8) . . ?
C3 Dy1 C4 30.50(7) . . ?
H1 Dy1 C2 114.5(11) . . ?
H2 Dy1 C2 118.4(7) . . ?
C11 Dy1 C2 95.45(8) . . ?
C15 Dy1 C2 126.35(8) . . ?
C14 Dy1 C2 137.26(8) . . ?
C1 Dy1 C2 30.68(7) . . ?
C13 Dy1 C2 109.33(8) . . ?
C5 Dy1 C2 50.66(7) . . ?
C12 Dy1 C2 86.65(8) . . ?
C3 Dy1 C2 30.48(8) . . ?
C4 Dy1 C2 50.42(7) . . ?
H2 Dy2 C32B 90.9(8) . . ?
H2 Dy2 C31B 82.8(8) . . ?
C32B Dy2 C31B 31.6(2) . . ?
H2 Dy2 C23 99.8(9) . . ?
C32B Dy2 C23 110.4(2) . . ?
C31B Dy2 C23 141.8(2) . . ?
H2 Dy2 C32 82.5(8) . . ?
C23 Dy2 C32 121.32(14) . . ?
H2 Dy2 C35 116.3(9) . . ?
C23 Dy2 C35 139.56(14) . . ?
C32 Dy2 C35 51.86(15) . . ?
H2 Dy2 C33 109.3(8) . . ?
C23 Dy2 C33 100.72(12) . . ?
C32 Dy2 C33 30.88(14) . . ?
C35 Dy2 C33 51.77(14) . . ?
H2 Dy2 C25 133.6(8) . . ?
C32B Dy2 C25 130.5(2) . . ?
C31B Dy2 C25 143.10(17) . . ?
C23 Dy2 C25 51.59(11) . . ?
C32 Dy2 C25 141.83(13) . . ?
C35 Dy2 C25 106.11(14) . . ?
C33 Dy2 C25 111.42(15) . . ?
H2 Dy2 C34 133.4(8) . . ?
C23 Dy2 C34 109.37(14) . . ?
C32 Dy2 C34 51.50(15) . . ?
C35 Dy2 C34 31.30(16) . . ?
C33 Dy2 C34 31.27(16) . . ?
C25 Dy2 C34 92.81(13) . . ?
H2 Dy2 C31 86.4(8) . . ?
C23 Dy2 C31 151.29(13) . . ?
C32 Dy2 C31 31.25(14) . . ?
C35 Dy2 C31 31.18(15) . . ?
C33 Dy2 C31 51.25(14) . . ?
C25 Dy2 C31 137.28(12) . . ?
C34 Dy2 C31 51.33(14) . . ?
H2 Dy2 C24 130.8(9) . . ?
C32B Dy2 C24 107.1(2) . . ?
C31B Dy2 C24 133.78(17) . . ?
C23 Dy2 C24 31.12(10) . . ?
C32 Dy2 C24 120.03(15) . . ?
C35 Dy2 C24 111.32(15) . . ?
C33 Dy2 C24 90.30(14) . . ?
C25 Dy2 C24 31.00(11) . . ?
C34 Dy2 C24 85.24(13) . . ?
C31 Dy2 C24 136.36(11) . . ?
H2 Dy2 C35B 107.8(9) . . ?
C32B Dy2 C35B 51.2(2) . . ?
C31B Dy2 C35B 31.0(2) . . ?
C23 Dy2 C35B 146.1(2) . . ?
C25 Dy2 C35B 114.4(2) . . ?
C24 Dy2 C35B 119.3(2) . . ?
H2 Dy2 C22 84.9(8) . . ?
C32B Dy2 C22 138.23(18) . . ?
C31B Dy2 C22 163.5(2) . . ?
C23 Dy2 C22 31.20(9) . . ?
C32 Dy2 C22 145.77(12) . . ?
C35 Dy2 C22 157.29(14) . . ?
C33 Dy2 C22 131.75(11) . . ?
C25 Dy2 C22 51.23(9) . . ?
C34 Dy2 C22 136.38(13) . . ?
C31 Dy2 C22 171.29(12) . . ?
C24 Dy2 C22 51.15(9) . . ?
C35B Dy2 C22 165.3(2) . . ?
H2 Dy2 C33B 121.4(8) . . ?
C32B Dy2 C33B 30.8(2) . . ?
C31B Dy2 C33B 51.3(2) . . ?
C23 Dy2 C33B 98.21(15) . . ?
C25 Dy2 C33B 100.49(19) . . ?
C24 Dy2 C33B 82.48(17) . . ?
C35B Dy2 C33B 50.5(2) . . ?
C22 Dy2 C33B 129.16(15) . . ?
H2 Dy2 C21 103.3(8) . . ?
C32B Dy2 C21 158.3(2) . . ?
C31B Dy2 C21 164.9(2) . . ?
C23 Dy2 C21 51.56(9) . . ?
C32 Dy2 C21 171.20(14) . . ?
C35 Dy2 C21 128.62(13) . . ?
C33 Dy2 C21 140.72(14) . . ?
C25 Dy2 C21 31.01(9) . . ?
C34 Dy2 C21 123.30(12) . . ?
C31 Dy2 C21 154.06(13) . . ?
C24 Dy2 C21 51.18(9) . . ?
C35B Dy2 C21 135.2(2) . . ?
C22 Dy2 C21 30.96(8) . . ?
C33B Dy2 C21 130.84(18) . . ?
H2 Dy2 C34B 134.5(8) . . ?
C32B Dy2 C34B 51.2(2) . . ?
C31B Dy2 C34B 51.6(2) . . ?
C23 Dy2 C34B 115.48(19) . . ?
C25 Dy2 C34B 91.74(17) . . ?
C24 Dy2 C34B 88.90(18) . . ?
C35B Dy2 C34B 30.9(2) . . ?
C22 Dy2 C34B 139.46(17) . . ?
C33B Dy2 C34B 30.5(2) . . ?
C21 Dy2 C34B 120.88(17) . . ?
C2 C1 C5 107.9(2) . . ?
C2 C1 C6 125.2(2) . . ?
C5 C1 C6 126.7(2) . . ?
C2 C1 Dy1 75.92(13) . . ?
C5 C1 Dy1 74.67(13) . . ?
C6 C1 Dy1 120.43(16) . . ?
C3 C2 C1 107.8(2) . . ?
C3 C2 C7 126.7(2) . . ?
C1 C2 C7 124.5(2) . . ?
C3 C2 Dy1 74.21(14) . . ?
C1 C2 Dy1 73.40(13) . . ?
C7 C2 Dy1 126.96(17) . . ?
C4 C3 C2 108.6(2) . . ?
C4 C3 C8 124.9(2) . . ?
C2 C3 C8 126.5(2) . . ?
C4 C3 Dy1 75.17(14) . . ?
C2 C3 Dy1 75.32(14) . . ?
C8 C3 Dy1 117.42(17) . . ?
C3 C4 C5 107.7(2) . . ?
C3 C4 C9 124.2(2) . . ?
C5 C4 C9 127.7(2) . . ?
C3 C4 Dy1 74.33(13) . . ?
C5 C4 Dy1 73.64(13) . . ?
C9 C4 Dy1 123.45(16) . . ?
C4 C5 C1 108.0(2) . . ?
C4 C5 C10 127.3(2) . . ?
C1 C5 C10 124.6(2) . . ?
C4 C5 Dy1 75.63(13) . . ?
C1 C5 Dy1 74.42(13) . . ?
C10 C5 Dy1 119.37(15) . . ?
C12 C11 C15 107.7(2) . . ?
C12 C11 C16 126.0(3) . . ?
C15 C11 C16 126.0(3) . . ?
C12 C11 Dy1 75.67(14) . . ?
C15 C11 Dy1 74.45(14) . . ?
C16 C11 Dy1 121.10(18) . . ?
C13 C12 C11 108.2(2) . . ?
C13 C12 C17 123.6(3) . . ?
C11 C12 C17 127.1(3) . . ?
C13 C12 Dy1 74.31(14) . . ?
C11 C12 Dy1 73.48(14) . . ?
C17 C12 Dy1 127.75(18) . . ?
C12 C13 C14 108.3(3) . . ?
C12 C13 C18 124.7(3) . . ?
C14 C13 C18 126.7(3) . . ?
C12 C13 Dy1 75.09(14) . . ?
C14 C13 Dy1 74.19(14) . . ?
C18 C13 Dy1 121.28(19) . . ?
C13 C14 C15 108.1(2) . . ?
C13 C14 C19 125.5(3) . . ?
C15 C14 C19 126.2(3) . . ?
C13 C14 Dy1 75.03(14) . . ?
C15 C14 Dy1 74.30(14) . . ?
C19 C14 Dy1 120.53(18) . . ?
C14 C15 C11 107.8(3) . . ?
C14 C15 C20 125.7(3) . . ?
C11 C15 C20 126.1(3) . . ?
C14 C15 Dy1 74.75(15) . . ?
C11 C15 Dy1 74.33(14) . . ?
C20 C15 Dy1 122.8(2) . . ?
C25 C21 C22 107.5(3) . . ?
C25 C21 C26 124.0(3) . . ?
C22 C21 C26 127.2(3) . . ?
C25 C21 Dy2 73.46(15) . . ?
C22 C21 Dy2 74.23(15) . . ?
C26 C21 Dy2 127.81(18) . . ?
C21 C22 C23 108.1(3) . . ?
C21 C22 C27 127.3(3) . . ?
C23 C22 C27 124.1(3) . . ?
C21 C22 Dy2 74.81(14) . . ?
C23 C22 Dy2 73.15(15) . . ?
C27 C22 Dy2 124.14(18) . . ?
C24 C23 C22 107.7(3) . . ?
C24 C23 C28 125.7(3) . . ?
C22 C23 C28 126.1(3) . . ?
C24 C23 Dy2 75.31(16) . . ?
C22 C23 Dy2 75.65(15) . . ?
C28 C23 Dy2 121.5(2) . . ?
C25 C24 C23 108.2(3) . . ?
C25 C24 C29 127.1(4) . . ?
C23 C24 C29 123.1(4) . . ?
C25 C24 Dy2 74.15(16) . . ?
C23 C24 Dy2 73.57(16) . . ?
C29 C24 Dy2 129.3(2) . . ?
C24 C25 C21 108.3(3) . . ?
C24 C25 C30 127.0(3) . . ?
C21 C25 C30 124.0(4) . . ?
C24 C25 Dy2 74.86(17) . . ?
C21 C25 Dy2 75.52(15) . . ?
C30 C25 Dy2 123.1(2) . . ?
C35 C31 C32 108.3(4) . . ?
C35 C31 C36 128.0(5) . . ?
C32 C31 C36 123.2(4) . . ?
C35 C31 Dy2 73.9(3) . . ?
C32 C31 Dy2 73.7(2) . . ?
C36 C31 Dy2 124.7(3) . . ?
C33 C32 C31 108.1(4) . . ?
C33 C32 C37 125.4(5) . . ?
C31 C32 C37 126.4(5) . . ?
C33 C32 Dy2 74.8(3) . . ?
C31 C32 Dy2 75.0(2) . . ?
C37 C32 Dy2 120.2(3) . . ?
C32 C33 C34 108.4(4) . . ?
C32 C33 C38 125.5(5) . . ?
C34 C33 C38 125.6(5) . . ?
C32 C33 Dy2 74.3(3) . . ?
C34 C33 Dy2 74.7(3) . . ?
C38 C33 Dy2 123.2(3) . . ?
C33 C34 C35 107.9(4) . . ?
C33 C34 C39 128.7(5) . . ?
C35 C34 C39 122.3(5) . . ?
C33 C34 Dy2 74.0(3) . . ?
C35 C34 Dy2 74.0(3) . . ?
C39 C34 Dy2 127.1(3) . . ?
C31 C35 C34 107.4(4) . . ?
C31 C35 C40 125.4(5) . . ?
C34 C35 C40 127.0(5) . . ?
C31 C35 Dy2 74.9(3) . . ?
C34 C35 Dy2 74.7(3) . . ?
C40 C35 Dy2 120.0(3) . . ?
C35B C31B C32B 106.7(6) . . ?
C35B C31B C36B 123.8(8) . . ?
C32B C31B C36B 129.0(8) . . ?
C35B C31B Dy2 75.9(4) . . ?
C32B C31B Dy2 73.4(4) . . ?
C36B C31B Dy2 122.5(5) . . ?
C33B C32B C31B 108.6(6) . . ?
C33B C32B C37B 127.1(8) . . ?
C31B C32B C37B 124.2(8) . . ?
C33B C32B Dy2 77.4(4) . . ?
C31B C32B Dy2 75.0(4) . . ?
C37B C32B Dy2 116.9(5) . . ?
C32B C33B C34B 109.1(6) . . ?
C32B C33B C38B 121.1(8) . . ?
C34B C33B C38B 128.3(8) . . ?
C32B C33B Dy2 71.8(4) . . ?
C34B C33B Dy2 76.0(4) . . ?
C38B C33B Dy2 129.1(5) . . ?
C33B C34B C35B 106.1(7) . . ?
C33B C34B C39B 126.1(8) . . ?
C35B C34B C39B 126.9(8) . . ?
C33B C34B Dy2 73.4(4) . . ?
C35B C34B Dy2 72.7(4) . . ?
C39B C34B Dy2 127.6(5) . . ?
C31B C35B C34B 109.4(7) . . ?
C31B C35B C40B 129.5(8) . . ?
C34B C35B C40B 120.9(8) . . ?
C31B C35B Dy2 73.0(4) . . ?
C34B C35B Dy2 76.4(4) . . ?
C40B C35B Dy2 121.7(5) . . ?

_refine_diff_density_max         1.020
_refine_diff_density_min         -0.832
_refine_diff_density_rms         0.083

_shelxl_version_number           2013-3

_database_code_depnum_ccdc_archive 'CCDC 1008456'
