# Electronic Supplementary Material (ESI) for Chemical Communications
# This journal is © The Royal Society of Chemistry 2011


data_global
_journal_name_full               CrystEngComm

_journal_coden_Cambridge         1350
_journal_volume                  ?
_journal_page_first              ?
_journal_year                    ?

_publ_contact_author_name        'Dr Richard Layfield'
_publ_contact_author_email       Richard.Layfield@manchester.ac.uk

_publ_section_title              
;
Single-molecule magnetism
in cyclopentadienyl-dysprosium chlorides
;
loop_
_publ_author_name
R.Layfield
S.Sulway
F.Tuna
W.Wernsdorfer
Winpenny

# Attachment '- 1a.cif'

data_oral156
_database_code_depnum_ccdc_archive 'CCDC 833437'
#TrackingRef '- 1a.cif'

_audit_creation_method           SHELXL-97
_chemical_name_systematic        
;
?
;
_chemical_name_common            ?
_chemical_melting_point          ?
_chemical_formula_moiety         'C20 H20 Cl2 Dy2'
_chemical_formula_sum            'C20 H20 Cl2 Dy2'
_chemical_formula_weight         656.26

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'
Cl Cl 0.1484 0.1585 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Dy Dy -0.1892 4.4098 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'

_symmetry_cell_setting           Monoclinic
_symmetry_space_group_name_H-M   'P 21/c'
_symmetry_space_group_name_Hall  '-P 2ybc'

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

_cell_length_a                   10.8935(6)
_cell_length_b                   7.7893(3)
_cell_length_c                   12.4090(7)
_cell_angle_alpha                90.00
_cell_angle_beta                 111.968(6)
_cell_angle_gamma                90.00
_cell_volume                     976.49(10)
_cell_formula_units_Z            2
_cell_measurement_temperature    100(2)
_cell_measurement_reflns_used    3736
_cell_measurement_theta_min      3.1359
_cell_measurement_theta_max      28.4581

_exptl_crystal_description       Cube
_exptl_crystal_colour            Yellow
_exptl_crystal_size_max          0.2
_exptl_crystal_size_mid          0.2
_exptl_crystal_size_min          0.2
_exptl_crystal_density_meas      ?
_exptl_crystal_density_diffrn    2.232
_exptl_crystal_density_method    'not measured'
_exptl_crystal_F_000             612
_exptl_absorpt_coefficient_mu    7.865
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_correction_T_min  0.47210
_exptl_absorpt_correction_T_max  1.00000
_exptl_absorpt_process_details   '(North et al., 1968)'

_exptl_special_details           
;
?
;

_diffrn_ambient_temperature      100(2)
_diffrn_radiation_wavelength     0.71073
_diffrn_radiation_type           MoK\a
_diffrn_radiation_source         'fine-focus sealed tube'
_diffrn_radiation_monochromator  graphite
_diffrn_measurement_device_type  'Xcalibur, Sapphire2, large Be window'
_diffrn_measurement_method       '\w scans'
_diffrn_detector_area_resol_mean ?
_diffrn_standards_number         6696
_diffrn_standards_interval_count 84
_diffrn_standards_interval_time  10
_diffrn_standards_decay_%        ?
_diffrn_reflns_number            6469
_diffrn_reflns_av_R_equivalents  0.0461
_diffrn_reflns_av_sigmaI/netI    0.0475
_diffrn_reflns_limit_h_min       -13
_diffrn_reflns_limit_h_max       14
_diffrn_reflns_limit_k_min       -9
_diffrn_reflns_limit_k_max       10
_diffrn_reflns_limit_l_min       -16
_diffrn_reflns_limit_l_max       14
_diffrn_reflns_theta_min         3.16
_diffrn_reflns_theta_max         28.53
_reflns_number_total             2485
_reflns_number_gt                1795
_reflns_threshold_expression     >2sigma(I)

_computing_data_collection       
;
CrysAlisPro, Oxford Diffraction Ltd.,
Version 1.171.33.52 (release 06-11-2009 CrysAlis171 .NET)
(compiled Nov 6 2009,16:24:50)
;
_computing_cell_refinement       
;
CrysAlisPro, Oxford Diffraction Ltd.,Version 1.171.33.52
(release 06-11-2009 CrysAlis171 .NET)(compiled Nov 6 2009,16:24:50)
;
_computing_data_reduction        
;
CrysAlisPro, Oxford Diffraction Ltd.,
Version 1.171.33.52 (release 06-11-2009 CrysAlis171 .NET)
(compiled Nov 6 2009,16:24:50)
;
_computing_structure_solution    'SHELXS-97 (Sheldrick, 1990)'
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 1997)'
_computing_molecular_graphics    ?
_computing_publication_material  ?

_refine_special_details          
;
Refinement of F^2^ against ALL reflections. The weighted R-factor wR and
goodness of fit S are based on F^2^, conventional R-factors R are based
on F, with F set to zero for negative F^2^. The threshold expression of
F^2^ > 2sigma(F^2^) is used only for calculating R-factors(gt) etc. and is
not relevant to the choice of reflections for refinement. R-factors based
on F^2^ are statistically about twice as large as those based on F, and R-
factors based on ALL data will be even larger.
;

_refine_ls_structure_factor_coef Fsqd
_refine_ls_matrix_type           full
_refine_ls_weighting_scheme      calc
_refine_ls_weighting_details     
'calc w=1/[\s^2^(Fo^2^)+(0.0509P)^2^+0.0000P] where P=(Fo^2^+2Fc^2^)/3'
_atom_sites_solution_primary     direct
_atom_sites_solution_secondary   difmap
_atom_sites_solution_hydrogens   geom
_refine_ls_hydrogen_treatment    mixed
_refine_ls_extinction_method     none
_refine_ls_extinction_coef       ?
_refine_ls_number_reflns         2218
_refine_ls_number_parameters     149
_refine_ls_number_restraints     0
_refine_ls_R_factor_all          0.0469
_refine_ls_R_factor_gt           0.0335
_refine_ls_wR_factor_ref         0.0810
_refine_ls_wR_factor_gt          0.0771
_refine_ls_goodness_of_fit_ref   0.962
_refine_ls_restrained_S_all      0.962
_refine_ls_shift/su_max          0.000
_refine_ls_shift/su_mean         0.000

loop_
_atom_site_label
_atom_site_type_symbol
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_U_iso_or_equiv
_atom_site_adp_type
_atom_site_occupancy
_atom_site_symmetry_multiplicity
_atom_site_calc_flag
_atom_site_refinement_flags
_atom_site_disorder_assembly
_atom_site_disorder_group
Dy1 Dy 0.80251(3) 0.02288(3) 0.44280(2) 0.01552(11) Uani 1 1 d . . .
Cl1 Cl 1.00637(14) 0.17323(18) 0.40793(13) 0.0209(3) Uani 1 1 d . . .
C8 C 0.6237(7) 0.2121(9) 0.4806(6) 0.0253(14) Uani 1 1 d . . .
C3 C 0.6613(6) -0.0310(8) 0.2235(6) 0.0214(13) Uani 1 1 d . . .
C1 C 0.7584(7) -0.2673(8) 0.3265(6) 0.0243(14) Uani 1 1 d . . .
C2 C 0.7681(7) -0.1459(9) 0.2485(6) 0.0242(15) Uani 1 1 d . . .
C7 C 0.6699(7) 0.0984(9) 0.5736(6) 0.0238(14) Uani 1 1 d . . .
C6 C 0.8021(8) 0.1404(9) 0.6419(6) 0.0281(15) Uani 1 1 d . . .
C10 C 0.8382(7) 0.2790(8) 0.5897(6) 0.0293(16) Uani 1 1 d . . .
C9 C 0.7293(7) 0.3255(8) 0.4908(6) 0.0277(16) Uani 1 1 d . . .
C5 C 0.6436(7) -0.2322(8) 0.3491(6) 0.0228(14) Uani 1 1 d . . .
C4 C 0.5806(6) -0.0881(8) 0.2824(6) 0.0222(13) Uani 1 1 d . . .
H1 H 0.822(6) -0.362(8) 0.358(5) 0.011(15) Uiso 1 1 d . . .
H7 H 0.626(7) 0.004(8) 0.575(6) 0.017(18) Uiso 1 1 d . . .
H6 H 0.844(6) 0.096(8) 0.710(6) 0.016(17) Uiso 1 1 d . . .
H8 H 0.534(6) 0.210(8) 0.423(5) 0.017(16) Uiso 1 1 d . . .
H2 H 0.819(6) -0.132(8) 0.228(5) 0.010(18) Uiso 1 1 d . . .
H9 H 0.738(9) 0.402(11) 0.440(7) 0.05(2) Uiso 1 1 d . . .
H3 H 0.634(8) 0.049(9) 0.170(7) 0.03(2) Uiso 1 1 d . . .
H4 H 0.513(7) -0.026(8) 0.278(6) 0.021(18) Uiso 1 1 d . . .
H10 H 0.930(9) 0.350(11) 0.610(8) 0.07(3) Uiso 1 1 d . . .
H5 H 0.618(8) -0.288(9) 0.394(7) 0.04(2) Uiso 1 1 d . . .

loop_
_atom_site_aniso_label
_atom_site_aniso_U_11
_atom_site_aniso_U_22
_atom_site_aniso_U_33
_atom_site_aniso_U_23
_atom_site_aniso_U_13
_atom_site_aniso_U_12
Dy1 0.01114(16) 0.01741(16) 0.01860(17) -0.00035(10) 0.00626(12) -0.00043(10)
Cl1 0.0145(7) 0.0227(7) 0.0259(8) 0.0076(6) 0.0079(6) 0.0008(5)
C8 0.018(3) 0.033(4) 0.024(4) -0.001(3) 0.006(3) 0.012(3)
C3 0.018(3) 0.028(3) 0.016(3) -0.001(2) 0.003(3) -0.003(2)
C1 0.025(3) 0.016(3) 0.029(4) -0.006(2) 0.006(3) -0.001(2)
C2 0.020(4) 0.035(4) 0.024(4) -0.010(3) 0.015(3) -0.010(3)
C7 0.025(3) 0.027(4) 0.028(4) -0.007(3) 0.019(3) -0.002(3)
C6 0.034(4) 0.034(4) 0.018(3) -0.001(3) 0.012(3) 0.010(3)
C10 0.021(4) 0.029(3) 0.044(5) -0.022(3) 0.020(4) -0.009(3)
C9 0.042(4) 0.015(3) 0.038(4) 0.001(3) 0.029(4) 0.006(3)
C5 0.023(3) 0.024(3) 0.022(4) -0.005(2) 0.009(3) -0.011(3)
C4 0.017(3) 0.025(3) 0.024(3) -0.004(3) 0.006(3) -0.005(3)

_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 C5 2.606(6) . ?
Dy1 C3 2.611(6) . ?
Dy1 C7 2.612(6) . ?
Dy1 C8 2.620(6) . ?
Dy1 C9 2.627(6) . ?
Dy1 C1 2.627(6) . ?
Dy1 C10 2.632(6) . ?
Dy1 C6 2.636(7) . ?
Dy1 C4 2.637(6) . ?
Dy1 C2 2.647(7) . ?
Dy1 Cl1 2.6850(15) . ?
Dy1 Cl1 2.6859(14) 3_756 ?
Cl1 Dy1 2.6859(14) 3_756 ?
C8 C7 1.391(9) . ?
C8 C9 1.418(10) . ?
C8 H8 0.97(6) . ?
C3 C2 1.407(9) . ?
C3 C4 1.410(9) . ?
C3 H3 0.87(8) . ?
C1 C2 1.385(10) . ?
C1 C5 1.407(10) . ?
C1 H1 0.99(6) . ?
C2 H2 0.70(6) . ?
C7 C6 1.409(10) . ?
C7 H7 0.88(6) . ?
C6 C10 1.389(10) . ?
C6 H6 0.87(6) . ?
C10 C9 1.398(10) . ?
C10 H10 1.09(9) . ?
C9 H9 0.90(9) . ?
C5 C4 1.411(9) . ?
C5 H5 0.83(8) . ?
C4 H4 0.87(7) . ?

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
C5 Dy1 C3 51.6(2) . . ?
C5 Dy1 C7 91.1(2) . . ?
C3 Dy1 C7 115.9(2) . . ?
C5 Dy1 C8 95.4(2) . . ?
C3 Dy1 C8 95.1(2) . . ?
C7 Dy1 C8 30.8(2) . . ?
C5 Dy1 C9 125.3(2) . . ?
C3 Dy1 C9 105.7(2) . . ?
C7 Dy1 C9 51.1(2) . . ?
C8 Dy1 C9 31.4(2) . . ?
C5 Dy1 C1 31.2(2) . . ?
C3 Dy1 C1 51.2(2) . . ?
C7 Dy1 C1 120.3(2) . . ?
C8 Dy1 C1 125.9(2) . . ?
C9 Dy1 C1 152.6(2) . . ?
C5 Dy1 C10 142.0(2) . . ?
C3 Dy1 C10 136.1(2) . . ?
C7 Dy1 C10 51.0(2) . . ?
C8 Dy1 C10 51.4(2) . . ?
C9 Dy1 C10 30.8(2) . . ?
C1 Dy1 C10 169.1(2) . . ?
C5 Dy1 C6 116.7(2) . . ?
C3 Dy1 C6 145.7(2) . . ?
C7 Dy1 C6 31.1(2) . . ?
C8 Dy1 C6 51.3(2) . . ?
C9 Dy1 C6 50.9(2) . . ?
C1 Dy1 C6 138.5(2) . . ?
C10 Dy1 C6 30.6(2) . . ?
C5 Dy1 C4 31.2(2) . . ?
C3 Dy1 C4 31.2(2) . . ?
C7 Dy1 C4 88.8(2) . . ?
C8 Dy1 C4 77.7(2) . . ?
C9 Dy1 C4 101.2(2) . . ?
C1 Dy1 C4 51.4(2) . . ?
C10 Dy1 C4 128.9(2) . . ?
C6 Dy1 C4 119.9(2) . . ?
C5 Dy1 C2 51.0(2) . . ?
C3 Dy1 C2 31.0(2) . . ?
C7 Dy1 C2 139.0(2) . . ?
C8 Dy1 C2 125.5(2) . . ?
C9 Dy1 C2 134.5(2) . . ?
C1 Dy1 C2 30.5(2) . . ?
C10 Dy1 C2 160.3(2) . . ?
C6 Dy1 C2 167.6(2) . . ?
C4 Dy1 C2 51.1(2) . . ?
C5 Dy1 Cl1 135.41(16) . . ?
C3 Dy1 Cl1 95.87(15) . . ?
C7 Dy1 Cl1 133.23(15) . . ?
C8 Dy1 Cl1 119.89(17) . . ?
C9 Dy1 Cl1 89.12(16) . . ?
C1 Dy1 Cl1 106.22(16) . . ?
C10 Dy1 Cl1 82.20(15) . . ?
C6 Dy1 Cl1 106.92(18) . . ?
C4 Dy1 Cl1 126.97(15) . . ?
C2 Dy1 Cl1 85.06(15) . . ?
C5 Dy1 Cl1 95.06(15) . 3_756 ?
C3 Dy1 Cl1 129.05(15) . 3_756 ?
C7 Dy1 Cl1 99.54(16) . 3_756 ?
C8 Dy1 Cl1 129.25(16) . 3_756 ?
C9 Dy1 Cl1 125.22(17) . 3_756 ?
C1 Dy1 Cl1 79.91(16) . 3_756 ?
C10 Dy1 Cl1 94.47(17) . 3_756 ?
C6 Dy1 Cl1 79.86(16) . 3_756 ?
C4 Dy1 Cl1 126.11(15) . 3_756 ?
C2 Dy1 Cl1 98.91(17) . 3_756 ?
Cl1 Dy1 Cl1 83.38(5) . 3_756 ?
Dy1 Cl1 Dy1 96.62(5) . 3_756 ?
C7 C8 C9 107.0(6) . . ?
C7 C8 Dy1 74.2(4) . . ?
C9 C8 Dy1 74.6(4) . . ?
C7 C8 H8 123(4) . . ?
C9 C8 H8 130(4) . . ?
Dy1 C8 H8 118(4) . . ?
C2 C3 C4 108.0(6) . . ?
C2 C3 Dy1 75.9(4) . . ?
C4 C3 Dy1 75.5(4) . . ?
C2 C3 H3 130(5) . . ?
C4 C3 H3 121(5) . . ?
Dy1 C3 H3 125(5) . . ?
C2 C1 C5 108.2(6) . . ?
C2 C1 Dy1 75.5(4) . . ?
C5 C1 Dy1 73.6(4) . . ?
C2 C1 H1 124(4) . . ?
C5 C1 H1 128(4) . . ?
Dy1 C1 H1 118(3) . . ?
C1 C2 C3 108.4(6) . . ?
C1 C2 Dy1 74.0(4) . . ?
C3 C2 Dy1 73.1(4) . . ?
C1 C2 H2 130(5) . . ?
C3 C2 H2 121(5) . . ?
Dy1 C2 H2 113(5) . . ?
C8 C7 C6 108.8(6) . . ?
C8 C7 Dy1 74.9(4) . . ?
C6 C7 Dy1 75.4(4) . . ?
C8 C7 H7 121(5) . . ?
C6 C7 H7 128(5) . . ?
Dy1 C7 H7 105(5) . . ?
C10 C6 C7 107.7(6) . . ?
C10 C6 Dy1 74.5(4) . . ?
C7 C6 Dy1 73.5(4) . . ?
C10 C6 H6 129(4) . . ?
C7 C6 H6 123(4) . . ?
Dy1 C6 H6 126(4) . . ?
C6 C10 C9 108.4(6) . . ?
C6 C10 Dy1 74.9(4) . . ?
C9 C10 Dy1 74.4(4) . . ?
C6 C10 H10 133(5) . . ?
C9 C10 H10 118(5) . . ?
Dy1 C10 H10 115(5) . . ?
C10 C9 C8 108.1(6) . . ?
C10 C9 Dy1 74.8(4) . . ?
C8 C9 Dy1 74.1(3) . . ?
C10 C9 H9 121(6) . . ?
C8 C9 H9 130(6) . . ?
Dy1 C9 H9 108(6) . . ?
C1 C5 C4 108.1(6) . . ?
C1 C5 Dy1 75.3(4) . . ?
C4 C5 Dy1 75.6(4) . . ?
C1 C5 H5 125(6) . . ?
C4 C5 H5 127(6) . . ?
Dy1 C5 H5 116(5) . . ?
C3 C4 C5 107.1(6) . . ?
C3 C4 Dy1 73.4(4) . . ?
C5 C4 Dy1 73.2(4) . . ?
C3 C4 H4 118(5) . . ?
C5 C4 H4 134(5) . . ?
Dy1 C4 H4 113(5) . . ?

_diffrn_measured_fraction_theta_max 0.992
_diffrn_reflns_theta_full        28.53
_diffrn_measured_fraction_theta_full 0.992
_refine_diff_density_max         2.340
_refine_diff_density_min         -2.520
_refine_diff_density_rms         0.256

# Attachment '- 1b.cif'

data_oral158
_database_code_depnum_ccdc_archive 'CCDC 833438'
#TrackingRef '- 1b.cif'

_audit_creation_method           SHELXL-97
_chemical_name_systematic        
;
?
;
_chemical_name_common            ?
_chemical_melting_point          ?
_chemical_formula_moiety         'C10 H10 Cl Dy'
_chemical_formula_sum            ' C10 H10 Cl Dy'
_chemical_formula_weight         328.13

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'
Cl Cl 0.1484 0.1585 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Dy Dy -0.1892 4.4098 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'

_symmetry_cell_setting           Orthorhombic
_symmetry_space_group_name_H-M   'P 21 21 21'
_symmetry_space_group_name_Hall  'P 2ac 2ab'

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

_cell_length_a                   6.6550(4)
_cell_length_b                   8.3541(5)
_cell_length_c                   17.7593(12)
_cell_angle_alpha                90.00
_cell_angle_beta                 90.00
_cell_angle_gamma                90.00
_cell_volume                     987.36(10)
_cell_formula_units_Z            4
_cell_measurement_temperature    100(2)
_cell_measurement_reflns_used    1493
_cell_measurement_theta_min      3.2572
_cell_measurement_theta_max      28.4891

_exptl_crystal_description       Cube
_exptl_crystal_colour            Yellow
_exptl_crystal_size_max          0.1
_exptl_crystal_size_mid          0.1
_exptl_crystal_size_min          0.01
_exptl_crystal_density_meas      2.207
_exptl_crystal_density_diffrn    2.207
_exptl_crystal_density_method    'not measured'
_exptl_crystal_F_000             612.0
_exptl_absorpt_coefficient_mu    7.778
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_correction_T_min  0.77976
_exptl_absorpt_correction_T_max  1.00000
_exptl_absorpt_process_details   '(Hearth et al, 1998)'

_exptl_special_details           
;
?
;

_diffrn_ambient_temperature      100(2)
_diffrn_radiation_wavelength     0.71073
_diffrn_radiation_type           MoK\a
_diffrn_radiation_source         'fine-focus sealed tube'
_diffrn_radiation_monochromator  graphite
_diffrn_measurement_device_type  'Xcalibur, Sapphire2, large Be window'
_diffrn_measurement_method       '\w scans'
_diffrn_detector_area_resol_mean ?
_diffrn_standards_number         2749
_diffrn_standards_interval_count 30
_diffrn_standards_interval_time  22
_diffrn_standards_decay_%        ?
_diffrn_reflns_number            2727
_diffrn_reflns_av_R_equivalents  0.0538
_diffrn_reflns_av_sigmaI/netI    0.0790
_diffrn_reflns_limit_h_min       -4
_diffrn_reflns_limit_h_max       8
_diffrn_reflns_limit_k_min       -2
_diffrn_reflns_limit_k_max       10
_diffrn_reflns_limit_l_min       -14
_diffrn_reflns_limit_l_max       23
_diffrn_reflns_theta_min         3.27
_diffrn_reflns_theta_max         28.55
_reflns_number_total             2018
_reflns_number_gt                1763
_reflns_threshold_expression     >2sigma(I)

_computing_data_collection       
;CrysAlisPro, Oxford Diffraction Ltd.,Version 1.171.33.52
(release 06-11-2009 CrysAlis171 .NET)(compiled Nov 6 2009,16:24:50)
;
_computing_cell_refinement       
;
CrysAlisPro, Oxford Diffraction Ltd.,Version 1.171.33.52
(release 06-11-2009 CrysAlis171 .NET)(compiled Nov 6 2009,16:24:50)
;
_computing_data_reduction        
;CrysAlisPro, Oxford Diffraction Ltd.,Version 1.171.33.52
(release 06-11-2009 CrysAlis171 .NET)(compiled Nov 6 2009,16:24:50)
;
_computing_structure_solution    'SHELXS-97 (Sheldrick, 1990)'
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 1997)'
_computing_molecular_graphics    ?
_computing_publication_material  ?

_refine_special_details          
;
Refinement of F^2^ against ALL reflections. The weighted R-factor wR and
goodness of fit S are based on F^2^, conventional R-factors R are based
on F, with F set to zero for negative F^2^. The threshold expression of
F^2^ > 2sigma(F^2^) is used only for calculating R-factors(gt) etc. and is
not relevant to the choice of reflections for refinement. R-factors based
on F^2^ are statistically about twice as large as those based on F, and R-
factors based on ALL data will be even larger.
;

_refine_ls_structure_factor_coef Fsqd
_refine_ls_matrix_type           full
_refine_ls_weighting_scheme      calc
_refine_ls_weighting_details     
'calc w=1/[\s^2^(Fo^2^)+(0.0050P)^2^+0.0000P] where P=(Fo^2^+2Fc^2^)/3'
_atom_sites_solution_primary     direct
_atom_sites_solution_secondary   difmap
_atom_sites_solution_hydrogens   geom
_refine_ls_hydrogen_treatment    constr
_refine_ls_extinction_method     none
_refine_ls_extinction_coef       ?
_refine_ls_abs_structure_details 'Flack H D (1983), Acta Cryst. A39, 876-881'
_refine_ls_abs_structure_Flack   -0.06(2)
_refine_ls_number_reflns         2018
_refine_ls_number_parameters     109
_refine_ls_number_restraints     60
_refine_ls_R_factor_all          0.0405
_refine_ls_R_factor_gt           0.0326
_refine_ls_wR_factor_ref         0.0469
_refine_ls_wR_factor_gt          0.0457
_refine_ls_goodness_of_fit_ref   0.906
_refine_ls_restrained_S_all      0.897
_refine_ls_shift/su_max          0.000
_refine_ls_shift/su_mean         0.000

loop_
_atom_site_label
_atom_site_type_symbol
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_U_iso_or_equiv
_atom_site_adp_type
_atom_site_occupancy
_atom_site_symmetry_multiplicity
_atom_site_calc_flag
_atom_site_refinement_flags
_atom_site_disorder_assembly
_atom_site_disorder_group
Dy1 Dy 0.72916(4) 0.67386(4) 0.087049(19) 0.01132(8) Uani 1 1 d . . .
C10 C 0.8652(11) 0.7606(12) 0.2183(5) 0.020(2) Uani 1 1 d U . .
H10 H 0.9340 0.6822 0.2450 0.024 Uiso 1 1 calc R . .
C8 C 0.7971(12) 0.9668(10) 0.1393(4) 0.019(2) Uani 1 1 d U . .
H8 H 0.8116 1.0483 0.1040 0.022 Uiso 1 1 calc R . .
C6 C 0.6603(11) 0.7898(12) 0.2213(5) 0.025(2) Uani 1 1 d U . .
H6 H 0.5675 0.7335 0.2501 0.030 Uiso 1 1 calc R . .
C7 C 0.6171(12) 0.9189(12) 0.1733(5) 0.023(2) Uani 1 1 d U . .
H7 H 0.4913 0.9644 0.1655 0.027 Uiso 1 1 calc R . .
C9 C 0.9507(10) 0.8706(11) 0.1677(5) 0.016(2) Uani 1 1 d U . .
H9 H 1.0862 0.8780 0.1553 0.019 Uiso 1 1 calc R . .
Cl1 Cl 0.3436(2) 0.6987(3) 0.04479(10) 0.0175(5) Uani 1 1 d . . .
C2 C 0.7616(13) 0.3938(8) 0.1504(4) 0.0149(16) Uani 1 1 d U . .
H2 H 0.7377 0.3894 0.2020 0.018 Uiso 1 1 calc R . .
C5 C 0.7187(13) 0.3902(8) 0.0242(4) 0.0180(18) Uani 1 1 d U . .
H5 H 0.6594 0.3822 -0.0231 0.022 Uiso 1 1 calc R . .
C1 C 0.6190(9) 0.3724(8) 0.0923(5) 0.0140(17) Uani 1 1 d U . .
H1 H 0.4831 0.3504 0.0985 0.017 Uiso 1 1 calc R . .
C4 C 0.9213(11) 0.4219(10) 0.0375(5) 0.018(2) Uani 1 1 d U . .
H4 H 1.0205 0.4389 0.0015 0.022 Uiso 1 1 calc R . .
C3 C 0.9457(12) 0.4230(11) 0.1149(5) 0.017(2) Uani 1 1 d U . .
H3 H 1.0668 0.4406 0.1397 0.020 Uiso 1 1 calc R . .

loop_
_atom_site_aniso_label
_atom_site_aniso_U_11
_atom_site_aniso_U_22
_atom_site_aniso_U_33
_atom_site_aniso_U_23
_atom_site_aniso_U_13
_atom_site_aniso_U_12
Dy1 0.01460(14) 0.00795(13) 0.01142(14) -0.00102(19) -0.00079(17) 0.00029(17)
C10 0.035(4) 0.018(5) 0.006(4) -0.003(4) -0.006(4) 0.004(4)
C8 0.034(5) 0.012(4) 0.011(4) -0.003(3) 0.000(4) -0.003(4)
C6 0.033(4) 0.022(5) 0.018(5) -0.006(4) 0.013(4) -0.004(4)
C7 0.026(4) 0.020(5) 0.022(5) -0.014(4) -0.001(4) 0.010(4)
C9 0.009(3) 0.019(5) 0.020(4) -0.009(4) 0.002(3) -0.002(3)
Cl1 0.0140(8) 0.0209(13) 0.0176(10) 0.0061(10) -0.0019(7) -0.0014(9)
C2 0.022(4) 0.012(3) 0.011(3) 0.007(3) 0.004(4) 0.003(4)
C5 0.029(4) 0.009(3) 0.016(4) 0.001(3) -0.011(4) 0.001(4)
C1 0.009(3) 0.008(4) 0.025(4) 0.002(4) 0.003(4) -0.006(3)
C4 0.023(4) 0.016(5) 0.016(4) 0.000(4) 0.001(4) 0.003(4)
C3 0.021(4) 0.014(4) 0.015(4) 0.001(4) -0.002(3) 0.005(4)

_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 C3 2.591(8) . ?
Dy1 C10 2.603(8) . ?
Dy1 C2 2.605(7) . ?
Dy1 C6 2.613(8) . ?
Dy1 C4 2.616(8) . ?
Dy1 C5 2.621(7) . ?
Dy1 C1 2.624(7) . ?
Dy1 C9 2.632(8) . ?
Dy1 C8 2.656(8) . ?
Dy1 C7 2.663(9) . ?
Dy1 Cl1 2.6811(16) . ?
Dy1 Cl1 2.6827(19) 4_565 ?
C10 C6 1.386(9) . ?
C10 C9 1.405(12) . ?
C10 H10 0.9300 . ?
C8 C9 1.394(11) . ?
C8 C7 1.400(10) . ?
C8 H8 0.9300 . ?
C6 C7 1.404(13) . ?
C6 H6 0.9300 . ?
C7 H7 0.9300 . ?
C9 H9 0.9300 . ?
Cl1 Dy1 2.6827(19) 4_465 ?
C2 C3 1.400(10) . ?
C2 C1 1.414(10) . ?
C2 H2 0.9300 . ?
C5 C1 1.387(10) . ?
C5 C4 1.395(11) . ?
C5 H5 0.9300 . ?
C1 H1 0.9300 . ?
C4 C3 1.384(10) . ?
C4 H4 0.9300 . ?
C3 H3 0.9300 . ?

loop_
_geom_angle_atom_site_label_1
_geom_angle_atom_site_label_2
_geom_angle_atom_site_label_3
_geom_angle
_geom_angle_site_symmetry_1
_geom_angle_site_symmetry_3
_geom_angle_publ_flag
C3 Dy1 C10 82.0(3) . . ?
C3 Dy1 C2 31.3(2) . . ?
C10 Dy1 C2 80.5(3) . . ?
C3 Dy1 C6 102.9(3) . . ?
C10 Dy1 C6 30.8(2) . . ?
C2 Dy1 C6 87.3(3) . . ?
C3 Dy1 C4 30.8(2) . . ?
C10 Dy1 C4 110.8(3) . . ?
C2 Dy1 C4 51.8(3) . . ?
C6 Dy1 C4 133.7(3) . . ?
C3 Dy1 C5 50.6(3) . . ?
C10 Dy1 C5 130.0(3) . . ?
C2 Dy1 C5 51.3(2) . . ?
C6 Dy1 C5 136.0(3) . . ?
C4 Dy1 C5 30.9(2) . . ?
C3 Dy1 C1 51.1(2) . . ?
C10 Dy1 C1 109.4(3) . . ?
C2 Dy1 C1 31.4(2) . . ?
C6 Dy1 C1 105.9(3) . . ?
C4 Dy1 C1 51.4(2) . . ?
C5 Dy1 C1 30.7(2) . . ?
C3 Dy1 C9 95.2(3) . . ?
C10 Dy1 C9 31.1(3) . . ?
C2 Dy1 C9 106.2(3) . . ?
C6 Dy1 C9 51.0(2) . . ?
C4 Dy1 C9 114.3(2) . . ?
C5 Dy1 C9 144.2(3) . . ?
C1 Dy1 C9 137.4(3) . . ?
C3 Dy1 C8 125.7(3) . . ?
C10 Dy1 C8 51.1(3) . . ?
C2 Dy1 C8 131.5(2) . . ?
C6 Dy1 C8 50.9(3) . . ?
C4 Dy1 C8 140.9(2) . . ?
C5 Dy1 C8 170.6(2) . . ?
C1 Dy1 C8 156.8(3) . . ?
C9 Dy1 C8 30.6(2) . . ?
C3 Dy1 C7 131.9(3) . . ?
C10 Dy1 C7 50.8(3) . . ?
C2 Dy1 C7 117.7(3) . . ?
C6 Dy1 C7 30.8(3) . . ?
C4 Dy1 C7 161.6(3) . . ?
C5 Dy1 C7 158.9(3) . . ?
C1 Dy1 C7 129.7(3) . . ?
C9 Dy1 C7 50.5(2) . . ?
C8 Dy1 C7 30.5(2) . . ?
C3 Dy1 Cl1 130.4(2) . . ?
C10 Dy1 Cl1 124.19(18) . . ?
C2 Dy1 Cl1 105.64(19) . . ?
C6 Dy1 Cl1 93.38(17) . . ?
C4 Dy1 Cl1 115.84(17) . . ?
C5 Dy1 Cl1 85.7(2) . . ?
C1 Dy1 Cl1 79.45(15) . . ?
C9 Dy1 Cl1 129.80(17) . . ?
C8 Dy1 Cl1 100.92(17) . . ?
C7 Dy1 Cl1 80.43(18) . . ?
C3 Dy1 Cl1 109.26(18) . 4_565 ?
C10 Dy1 Cl1 124.9(2) . 4_565 ?
C2 Dy1 Cl1 135.25(16) . 4_565 ?
C6 Dy1 Cl1 134.3(2) . 4_565 ?
C4 Dy1 Cl1 83.5(2) . 4_565 ?
C5 Dy1 Cl1 89.70(17) . 4_565 ?
C1 Dy1 Cl1 119.4(2) . 4_565 ?
C9 Dy1 Cl1 93.88(19) . 4_565 ?
C8 Dy1 Cl1 83.72(17) . 4_565 ?
C7 Dy1 Cl1 106.0(2) . 4_565 ?
Cl1 Dy1 Cl1 89.82(4) . 4_565 ?
C6 C10 C9 107.9(9) . . ?
C6 C10 Dy1 75.0(6) . . ?
C9 C10 Dy1 75.6(5) . . ?
C6 C10 H10 126.0 . . ?
C9 C10 H10 126.0 . . ?
Dy1 C10 H10 115.6 . . ?
C9 C8 C7 107.9(7) . . ?
C9 C8 Dy1 73.8(5) . . ?
C7 C8 Dy1 75.0(5) . . ?
C9 C8 H8 126.1 . . ?
C7 C8 H8 126.1 . . ?
Dy1 C8 H8 117.2 . . ?
C10 C6 C7 108.2(9) . . ?
C10 C6 Dy1 74.2(6) . . ?
C7 C6 Dy1 76.5(5) . . ?
C10 C6 H6 125.9 . . ?
C7 C6 H6 125.9 . . ?
Dy1 C6 H6 115.5 . . ?
C8 C7 C6 107.8(7) . . ?
C8 C7 Dy1 74.4(5) . . ?
C6 C7 Dy1 72.6(5) . . ?
C8 C7 H7 126.1 . . ?
C6 C7 H7 126.1 . . ?
Dy1 C7 H7 118.8 . . ?
C8 C9 C10 108.1(7) . . ?
C8 C9 Dy1 75.7(4) . . ?
C10 C9 Dy1 73.3(5) . . ?
C8 C9 H9 125.9 . . ?
C10 C9 H9 125.9 . . ?
Dy1 C9 H9 117.1 . . ?
Dy1 Cl1 Dy1 123.15(7) . 4_465 ?
C3 C2 C1 106.3(7) . . ?
C3 C2 Dy1 73.8(4) . . ?
C1 C2 Dy1 75.1(4) . . ?
C3 C2 H2 126.9 . . ?
C1 C2 H2 126.9 . . ?
Dy1 C2 H2 116.6 . . ?
C1 C5 C4 109.6(7) . . ?
C1 C5 Dy1 74.8(4) . . ?
C4 C5 Dy1 74.4(5) . . ?
C1 C5 H5 125.2 . . ?
C4 C5 H5 125.2 . . ?
Dy1 C5 H5 117.4 . . ?
C5 C1 C2 107.6(6) . . ?
C5 C1 Dy1 74.5(4) . . ?
C2 C1 Dy1 73.6(4) . . ?
C5 C1 H1 126.2 . . ?
C2 C1 H1 126.2 . . ?
Dy1 C1 H1 117.8 . . ?
C3 C4 C5 106.4(8) . . ?
C3 C4 Dy1 73.6(5) . . ?
C5 C4 Dy1 74.7(5) . . ?
C3 C4 H4 126.8 . . ?
C5 C4 H4 126.8 . . ?
Dy1 C4 H4 117.1 . . ?
C4 C3 C2 110.1(8) . . ?
C4 C3 Dy1 75.6(5) . . ?
C2 C3 Dy1 74.9(4) . . ?
C4 C3 H3 124.9 . . ?
C2 C3 H3 124.9 . . ?
Dy1 C3 H3 116.4 . . ?

_diffrn_measured_fraction_theta_max 0.992
_diffrn_reflns_theta_full        28.55
_diffrn_measured_fraction_theta_full 0.992
_refine_diff_density_max         1.171
_refine_diff_density_min         -1.389
_refine_diff_density_rms         0.211

# Attachment '- 2.cif'

data_shelxl
_database_code_depnum_ccdc_archive 'CCDC 833439'
#TrackingRef '- 2.cif'

_audit_creation_method           SHELXL-97
_chemical_name_systematic        
;
?
;
_chemical_name_common            ?
_chemical_melting_point          ?
_chemical_formula_moiety         'C28 H36 Cl2 Dy2 O2'
_chemical_formula_sum            'C28 H36 Cl2 Dy2 O2'
_chemical_formula_weight         800.47

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'
Cl Cl 0.1495 0.1591 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Dy Dy -0.1265 4.4207 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'

_symmetry_cell_setting           Monoclinic
_symmetry_space_group_name_H-M   'P 21/c'
_symmetry_space_group_name_Hall  '-P 2ybc'

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

_cell_length_a                   7.9778(7)
_cell_length_b                   21.270(3)
_cell_length_c                   8.3900(9)
_cell_angle_alpha                90.00
_cell_angle_beta                 108.500(11)
_cell_angle_gamma                90.00
_cell_volume                     1350.1(2)
_cell_formula_units_Z            2
_cell_measurement_temperature    100(2)
_cell_measurement_reflns_used    2620
_cell_measurement_theta_min      0.47435
_cell_measurement_theta_max      1.00000

_exptl_crystal_description       Plates
_exptl_crystal_colour            Yellow
_exptl_crystal_size_max          0.1
_exptl_crystal_size_mid          0.1
_exptl_crystal_size_min          0.05
_exptl_crystal_density_meas      ?
_exptl_crystal_density_diffrn    1.969
_exptl_crystal_density_method    'not measured'
_exptl_crystal_F_000             772
_exptl_absorpt_coefficient_mu    5.713
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_correction_T_min  0.570
_exptl_absorpt_correction_T_max  0.732
_exptl_absorpt_process_details   multi-scan

_exptl_special_details           
;
?
;

_diffrn_ambient_temperature      100(2)
_diffrn_radiation_wavelength     0.71073
_diffrn_radiation_type           MoK\a
_diffrn_radiation_source         'fine-focus sealed tube'
_diffrn_radiation_monochromator  graphite
_diffrn_measurement_device_type  'Xcalibur, Sapphire2, large Be window'
_diffrn_measurement_method       '\w scans'
_diffrn_detector_area_resol_mean ?
_diffrn_standards_number         5389
_diffrn_standards_interval_count 50
_diffrn_standards_interval_time  50
_diffrn_standards_decay_%        ?
_diffrn_reflns_number            5221
_diffrn_reflns_av_R_equivalents  0.0511
_diffrn_reflns_av_sigmaI/netI    0.0777
_diffrn_reflns_limit_h_min       -10
_diffrn_reflns_limit_h_max       10
_diffrn_reflns_limit_k_min       -24
_diffrn_reflns_limit_k_max       27
_diffrn_reflns_limit_l_min       -10
_diffrn_reflns_limit_l_max       4
_diffrn_reflns_theta_min         3.20
_diffrn_reflns_theta_max         27.50
_reflns_number_total             2965
_reflns_number_gt                2061
_reflns_threshold_expression     >2sigma(I)

_computing_data_collection       
;
CrysAlisPro, Oxford Diffraction Ltd.,Version 1.171.33.52
(release 06-11-2009 CrysAlis171 .NET) (compiled Nov 6 2009,16:24:50)
;
_computing_cell_refinement       
;CrysAlisPro, Oxford Diffraction Ltd.,Version 1.171.33.52
(release 06-11-2009 CrysAlis171 .NET) (compiled Nov 6 2009,16:24:50)
;
_computing_data_reduction        
;CrysAlisPro, Oxford Diffraction Ltd.,Version 1.171.33.52
(release 06-11-2009 CrysAlis171 .NET) (compiled Nov 6 2009,16:24:50)
;
_computing_structure_solution    'SHELXS-97 (Sheldrick, 1990)'
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 1997)'
_computing_molecular_graphics    ?
_computing_publication_material  ?

_refine_special_details          
;
Refinement of F^2^ against ALL reflections. The weighted R-factor wR and
goodness of fit S are based on F^2^, conventional R-factors R are based
on F, with F set to zero for negative F^2^. The threshold expression of
F^2^ > 2sigma(F^2^) is used only for calculating R-factors(gt) etc. and is
not relevant to the choice of reflections for refinement. R-factors based
on F^2^ are statistically about twice as large as those based on F, and R-
factors based on ALL data will be even larger.
;

_refine_ls_structure_factor_coef Fsqd
_refine_ls_matrix_type           full
_refine_ls_weighting_scheme      calc
_refine_ls_weighting_details     
'calc w=1/[\s^2^(Fo^2^)+(0.0414P)^2^+11.9868P] where P=(Fo^2^+2Fc^2^)/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         2965
_refine_ls_number_parameters     152
_refine_ls_number_restraints     90
_refine_ls_R_factor_all          0.0907
_refine_ls_R_factor_gt           0.0581
_refine_ls_wR_factor_ref         0.1214
_refine_ls_wR_factor_gt          0.1139
_refine_ls_goodness_of_fit_ref   1.132
_refine_ls_restrained_S_all      1.150
_refine_ls_shift/su_max          0.000
_refine_ls_shift/su_mean         0.000

loop_
_atom_site_label
_atom_site_type_symbol
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_U_iso_or_equiv
_atom_site_adp_type
_atom_site_occupancy
_atom_site_symmetry_multiplicity
_atom_site_calc_flag
_atom_site_refinement_flags
_atom_site_disorder_assembly
_atom_site_disorder_group
C1 C 0.3463(14) 0.0686(5) 0.8737(14) 0.028(2) Uani 1 1 d U B .
H1 H 0.4244 0.0555 0.9762 0.033 Uiso 1 1 calc R . .
C2 C 0.2511(12) 0.0295(5) 0.7419(13) 0.025(2) Uani 1 1 d U B .
H2 H 0.2569 -0.0142 0.7407 0.030 Uiso 1 1 calc R . .
C3 C 0.1449(13) 0.0677(5) 0.6111(14) 0.026(2) Uani 1 1 d U B .
H3 H 0.0670 0.0538 0.5095 0.031 Uiso 1 1 calc R . .
C4 C 0.1786(13) 0.1307(5) 0.6624(15) 0.029(2) Uani 1 1 d U B .
H4 H 0.1274 0.1659 0.6003 0.035 Uiso 1 1 calc R . .
C5 C 0.3031(14) 0.1308(5) 0.8240(15) 0.030(2) Uani 1 1 d U B .
H5 H 0.3491 0.1664 0.8873 0.036 Uiso 1 1 calc R . .
C6 C 0.4052(14) 0.1883(5) 0.4165(14) 0.030(2) Uani 1 1 d U B .
H6 H 0.2859 0.1980 0.3697 0.036 Uiso 1 1 calc R . .
C7 C 0.5150(16) 0.2109(6) 0.5706(16) 0.041(3) Uani 1 1 d U B .
H7 H 0.4834 0.2370 0.6452 0.049 Uiso 1 1 calc R . .
C8 C 0.6860(15) 0.1854(5) 0.5894(15) 0.032(3) Uani 1 1 d U B .
H8 H 0.7885 0.1933 0.6781 0.039 Uiso 1 1 calc R . .
C9 C 0.6727(15) 0.1478(5) 0.4552(15) 0.033(3) Uani 1 1 d U B .
H9 H 0.7640 0.1242 0.4388 0.039 Uiso 1 1 calc R . .
C10 C 0.4973(15) 0.1502(6) 0.3447(15) 0.037(3) Uani 1 1 d U B .
H10 H 0.4533 0.1297 0.2420 0.044 Uiso 1 1 calc R . .
C11 C 0.7251(15) 0.1562(6) 1.0023(17) 0.043(3) Uani 1 1 d U . .
H11A H 0.6849 0.1430 1.0947 0.052 Uiso 0.50 1 calc PR A 1
H11B H 0.6530 0.1910 0.9440 0.052 Uiso 0.50 1 calc PR A 1
H11C H 0.6282 0.1518 1.0480 0.052 Uiso 0.50 1 d PR A 2
H11D H 0.7112 0.1958 0.9423 0.052 Uiso 0.50 1 d PR A 2
C12A C 0.922(2) 0.1733(9) 1.063(3) 0.019(4) Uiso 0.50 1 d P B 1
H12A H 0.9577 0.1955 0.9781 0.022 Uiso 0.50 1 calc PR B 1
H12B H 0.9548 0.1975 1.1664 0.022 Uiso 0.50 1 calc PR B 1
C13A C 0.992(3) 0.1073(9) 1.090(2) 0.021(4) Uiso 0.50 1 d P B 1
H13A H 1.1193 0.1061 1.1121 0.025 Uiso 0.50 1 calc PR B 1
H13B H 0.9630 0.0865 1.1803 0.025 Uiso 0.50 1 calc PR B 1
C12B C 0.915(3) 0.1548(11) 1.154(3) 0.027(5) Uiso 0.50 1 d P B 2
H12C H 0.9442 0.1948 1.2117 0.032 Uiso 0.50 1 calc PR B 2
H12D H 0.9224 0.1212 1.2338 0.032 Uiso 0.50 1 calc PR B 2
C13B C 1.019(3) 0.1420(10) 1.037(3) 0.023(4) Uiso 0.50 1 d P B 2
H13C H 1.1401 0.1304 1.0973 0.028 Uiso 0.50 1 calc PR B 2
H13D H 1.0173 0.1774 0.9639 0.028 Uiso 0.50 1 calc PR B 2
C14 C 0.9004(14) 0.0805(6) 0.9315(14) 0.036(3) Uani 1 1 d U . .
H14A H 0.9008 0.0350 0.9387 0.043 Uiso 0.50 1 calc PR B 1
H14B H 0.9546 0.0928 0.8478 0.043 Uiso 0.50 1 calc PR B 1
H14C H 0.9325 0.0707 0.8320 0.043 Uiso 0.50 1 d PR B 2
H14D H 0.9161 0.0434 1.0019 0.043 Uiso 0.50 1 d PR B 2
O1 O 0.7232(8) 0.1044(3) 0.8887(9) 0.0218(15) Uani 1 1 d U B .
Cl1 Cl 0.6758(3) -0.01511(12) 0.6592(4) 0.0281(6) Uani 1 1 d U . .
Dy1 Dy 0.47966(6) 0.09005(2) 0.62308(7) 0.02239(16) Uani 1 1 d U . .

loop_
_atom_site_aniso_label
_atom_site_aniso_U_11
_atom_site_aniso_U_22
_atom_site_aniso_U_33
_atom_site_aniso_U_23
_atom_site_aniso_U_13
_atom_site_aniso_U_12
C1 0.024(4) 0.026(4) 0.033(4) -0.006(3) 0.010(3) 0.000(3)
C2 0.018(4) 0.028(4) 0.031(4) -0.004(3) 0.012(3) -0.008(3)
C3 0.016(4) 0.030(4) 0.035(4) -0.004(4) 0.011(3) -0.002(3)
C4 0.016(4) 0.030(4) 0.042(4) -0.005(4) 0.009(3) 0.003(3)
C5 0.024(4) 0.031(4) 0.037(4) -0.010(4) 0.012(4) -0.004(3)
C6 0.020(4) 0.025(4) 0.036(4) 0.005(4) -0.002(3) -0.005(3)
C7 0.044(5) 0.030(5) 0.046(5) -0.001(4) 0.013(4) -0.002(4)
C8 0.028(4) 0.028(4) 0.035(4) 0.009(4) 0.003(3) -0.007(3)
C9 0.030(4) 0.028(4) 0.040(5) 0.007(4) 0.011(4) -0.005(3)
C10 0.032(4) 0.034(4) 0.041(5) 0.004(4) 0.007(4) -0.004(4)
C11 0.032(4) 0.039(5) 0.055(5) -0.017(4) 0.009(4) 0.004(4)
C14 0.030(4) 0.044(5) 0.034(4) -0.006(4) 0.009(3) 0.017(4)
O1 0.015(3) 0.017(3) 0.034(3) -0.003(3) 0.008(2) 0.005(2)
Cl1 0.0219(12) 0.0160(11) 0.0450(15) -0.0021(11) 0.0085(11) 0.0079(10)
Dy1 0.0105(2) 0.0114(2) 0.0465(3) -0.0010(3) 0.01075(17) 0.0002(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
C1 C5 1.398(16) . ?
C1 C2 1.399(14) . ?
C1 Dy1 2.680(11) . ?
C1 H1 0.9300 . ?
C2 C3 1.412(15) . ?
C2 Dy1 2.670(9) . ?
C2 H2 0.9300 . ?
C3 C4 1.406(15) . ?
C3 Dy1 2.682(9) . ?
C3 H3 0.9300 . ?
C4 C5 1.404(16) . ?
C4 Dy1 2.670(10) . ?
C4 H4 0.9300 . ?
C5 Dy1 2.662(10) . ?
C5 H5 0.9300 . ?
C6 C10 1.356(16) . ?
C6 C7 1.397(16) . ?
C6 Dy1 2.660(11) . ?
C6 H6 0.9300 . ?
C7 C8 1.429(16) . ?
C7 Dy1 2.638(12) . ?
C7 H7 0.9300 . ?
C8 C9 1.359(16) . ?
C8 Dy1 2.684(10) . ?
C8 H8 0.9300 . ?
C9 C10 1.414(15) . ?
C9 Dy1 2.690(11) . ?
C9 H9 0.9300 . ?
C10 Dy1 2.706(12) . ?
C10 H10 0.9300 . ?
C11 O1 1.453(13) . ?
C11 C12A 1.53(2) . ?
C11 C12B 1.64(2) . ?
C11 H11A 0.9700 . ?
C11 H11B 0.9700 . ?
C11 H11C 0.9700 . ?
C11 H11D 0.9700 . ?
C12A C13A 1.50(3) . ?
C12A H12A 0.9700 . ?
C12A H12B 0.9700 . ?
C13A C14 1.42(2) . ?
C13A H13A 0.9700 . ?
C13A H13B 0.9700 . ?
C12B C13B 1.50(3) . ?
C12B H12C 0.9700 . ?
C12B H12D 0.9700 . ?
C13B C14 1.69(2) . ?
C13B H13C 0.9700 . ?
C13B H13D 0.9700 . ?
C14 O1 1.437(12) . ?
C14 H14A 0.9700 . ?
C14 H14B 0.9700 . ?
C14 H14C 0.9700 . ?
C14 H14D 0.9700 . ?
O1 Dy1 2.468(7) . ?
Cl1 Dy1 2.691(2) . ?
Cl1 Dy1 2.797(3) 3_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
C5 C1 C2 107.9(10) . . ?
C5 C1 Dy1 74.1(6) . . ?
C2 C1 Dy1 74.5(6) . . ?
C5 C1 H1 126.1 . . ?
C2 C1 H1 126.1 . . ?
Dy1 C1 H1 117.4 . . ?
C1 C2 C3 108.2(10) . . ?
C1 C2 Dy1 75.2(6) . . ?
C3 C2 Dy1 75.2(6) . . ?
C1 C2 H2 125.9 . . ?
C3 C2 H2 125.9 . . ?
Dy1 C2 H2 115.8 . . ?
C4 C3 C2 107.5(10) . . ?
C4 C3 Dy1 74.3(6) . . ?
C2 C3 Dy1 74.2(5) . . ?
C4 C3 H3 126.2 . . ?
C2 C3 H3 126.2 . . ?
Dy1 C3 H3 117.3 . . ?
C5 C4 C3 107.8(10) . . ?
C5 C4 Dy1 74.4(6) . . ?
C3 C4 Dy1 75.3(6) . . ?
C5 C4 H4 126.1 . . ?
C3 C4 H4 126.1 . . ?
Dy1 C4 H4 116.3 . . ?
C1 C5 C4 108.5(10) . . ?
C1 C5 Dy1 75.6(6) . . ?
C4 C5 Dy1 75.1(6) . . ?
C1 C5 H5 125.7 . . ?
C4 C5 H5 125.7 . . ?
Dy1 C5 H5 115.7 . . ?
C10 C6 C7 110.3(10) . . ?
C10 C6 Dy1 77.3(7) . . ?
C7 C6 Dy1 73.9(7) . . ?
C10 C6 H6 124.8 . . ?
C7 C6 H6 124.8 . . ?
Dy1 C6 H6 115.9 . . ?
C6 C7 C8 105.6(11) . . ?
C6 C7 Dy1 75.6(7) . . ?
C8 C7 Dy1 76.2(7) . . ?
C6 C7 H7 127.2 . . ?
C8 C7 H7 127.2 . . ?
Dy1 C7 H7 113.8 . . ?
C9 C8 C7 108.1(10) . . ?
C9 C8 Dy1 75.6(6) . . ?
C7 C8 Dy1 72.7(6) . . ?
C9 C8 H8 125.9 . . ?
C7 C8 H8 125.9 . . ?
Dy1 C8 H8 117.7 . . ?
C8 C9 C10 108.8(11) . . ?
C8 C9 Dy1 75.1(7) . . ?
C10 C9 Dy1 75.4(6) . . ?
C8 C9 H9 125.6 . . ?
C10 C9 H9 125.6 . . ?
Dy1 C9 H9 115.9 . . ?
C6 C10 C9 107.1(11) . . ?
C6 C10 Dy1 73.5(7) . . ?
C9 C10 Dy1 74.2(7) . . ?
C6 C10 H10 126.5 . . ?
C9 C10 H10 126.5 . . ?
Dy1 C10 H10 117.9 . . ?
O1 C11 C12A 101.2(10) . . ?
O1 C11 C12B 108.1(11) . . ?
O1 C11 H11A 111.5 . . ?
C12A C11 H11A 111.5 . . ?
C12B C11 H11A 80.4 . . ?
O1 C11 H11B 111.5 . . ?
C12A C11 H11B 111.5 . . ?
C12B C11 H11B 131.2 . . ?
H11A C11 H11B 109.3 . . ?
O1 C11 H11C 110.0 . . ?
C12A C11 H11C 138.8 . . ?
C12B C11 H11C 110.3 . . ?
H11B C11 H11C 81.6 . . ?
O1 C11 H11D 110.1 . . ?
C12A C11 H11D 84.4 . . ?
C12B C11 H11D 110.1 . . ?
H11A C11 H11D 130.9 . . ?
H11C C11 H11D 108.3 . . ?
C13A C12A C11 97.0(14) . . ?
C13A C12A H12A 112.4 . . ?
C11 C12A H12A 112.4 . . ?
C13A C12A H12B 112.4 . . ?
C11 C12A H12B 112.4 . . ?
H12A C12A H12B 109.9 . . ?
C14 C13A C12A 100.3(15) . . ?
C14 C13A H13A 111.7 . . ?
C12A C13A H13A 111.7 . . ?
C14 C13A H13B 111.7 . . ?
C12A C13A H13B 111.7 . . ?
H13A C13A H13B 109.5 . . ?
C12A C13A H14D 131.9 . . ?
H13A C13A H14D 107.1 . . ?
H13B C13A H14D 79.7 . . ?
C13B C12B C11 93.6(15) . . ?
C13B C12B H12C 113.0 . . ?
C11 C12B H12C 113.0 . . ?
C13B C12B H12D 113.0 . . ?
C11 C12B H12D 113.0 . . ?
H12C C12B H12D 110.4 . . ?
C12B C13B C14 98.7(15) . . ?
C12B C13B H13C 112.0 . . ?
C14 C13B H13C 112.0 . . ?
C12B C13B H13D 112.0 . . ?
C14 C13B H13D 112.0 . . ?
H13C C13B H13D 109.7 . . ?
C13A C14 O1 105.5(10) . . ?
O1 C14 C13B 101.5(10) . . ?
C13A C14 H14A 110.6 . . ?
O1 C14 H14A 110.6 . . ?
C13B C14 H14A 138.5 . . ?
C13A C14 H14B 110.6 . . ?
O1 C14 H14B 110.6 . . ?
C13B C14 H14B 82.4 . . ?
H14A C14 H14B 108.8 . . ?
C13A C14 H14C 133.9 . . ?
O1 C14 H14C 111.7 . . ?
C13B C14 H14C 111.2 . . ?
H14A C14 H14C 80.9 . . ?
C13A C14 H14D 80.1 . . ?
O1 C14 H14D 111.5 . . ?
C13B C14 H14D 111.6 . . ?
H14B C14 H14D 131.3 . . ?
H14C C14 H14D 109.3 . . ?
C14 O1 C11 107.5(8) . . ?
C14 O1 Dy1 127.7(6) . . ?
C11 O1 Dy1 121.8(6) . . ?
Dy1 Cl1 Dy1 107.01(9) . 3_656 ?
O1 Dy1 C7 86.3(3) . . ?
O1 Dy1 C6 116.1(3) . . ?
C7 Dy1 C6 30.6(3) . . ?
O1 Dy1 C5 79.1(3) . . ?
C7 Dy1 C5 83.9(4) . . ?
C6 Dy1 C5 95.9(4) . . ?
O1 Dy1 C4 109.3(3) . . ?
C7 Dy1 C4 81.6(4) . . ?
C6 Dy1 C4 78.6(4) . . ?
C5 Dy1 C4 30.5(3) . . ?
O1 Dy1 C2 99.1(3) . . ?
C7 Dy1 C2 130.9(4) . . ?
C6 Dy1 C2 125.8(3) . . ?
C5 Dy1 C2 50.2(3) . . ?
C4 Dy1 C2 50.4(3) . . ?
O1 Dy1 C1 73.0(3) . . ?
C7 Dy1 C1 112.8(4) . . ?
C6 Dy1 C1 125.7(3) . . ?
C5 Dy1 C1 30.3(3) . . ?
C4 Dy1 C1 50.3(3) . . ?
C2 Dy1 C1 30.3(3) . . ?
O1 Dy1 C3 123.0(3) . . ?
C7 Dy1 C3 108.9(4) . . ?
C6 Dy1 C3 95.8(3) . . ?
C5 Dy1 C3 50.3(3) . . ?
C4 Dy1 C3 30.5(3) . . ?
C2 Dy1 C3 30.6(3) . . ?
C1 Dy1 C3 50.3(3) . . ?
O1 Dy1 C8 70.6(3) . . ?
C7 Dy1 C8 31.1(3) . . ?
C6 Dy1 C8 49.8(3) . . ?
C5 Dy1 C8 106.6(4) . . ?
C4 Dy1 C8 112.0(4) . . ?
C2 Dy1 C8 156.7(3) . . ?
C1 Dy1 C8 128.4(3) . . ?
C3 Dy1 C8 140.0(3) . . ?
O1 Dy1 C9 89.9(3) . . ?
C7 Dy1 C9 50.1(4) . . ?
C6 Dy1 C9 49.2(3) . . ?
C5 Dy1 C9 133.5(4) . . ?
C4 Dy1 C9 127.1(4) . . ?
C2 Dy1 C9 171.0(3) . . ?
C1 Dy1 C9 157.5(3) . . ?
C3 Dy1 C9 142.1(3) . . ?
C8 Dy1 C9 29.3(3) . . ?
O1 Dy1 Cl1 74.82(15) . . ?
C7 Dy1 Cl1 137.7(3) . . ?
C6 Dy1 Cl1 136.7(3) . . ?
C5 Dy1 Cl1 127.2(3) . . ?
C4 Dy1 Cl1 140.2(3) . . ?
C2 Dy1 Cl1 89.9(2) . . ?
C1 Dy1 Cl1 97.6(2) . . ?
C3 Dy1 Cl1 113.2(2) . . ?
C8 Dy1 Cl1 106.6(3) . . ?
C9 Dy1 Cl1 91.7(3) . . ?
O1 Dy1 C10 118.6(3) . . ?
C7 Dy1 C10 50.0(4) . . ?
C6 Dy1 C10 29.3(3) . . ?
C5 Dy1 C10 125.1(4) . . ?
C4 Dy1 C10 104.4(4) . . ?
C2 Dy1 C10 141.2(3) . . ?
C1 Dy1 C10 154.2(3) . . ?
C3 Dy1 C10 112.0(3) . . ?
C8 Dy1 C10 49.4(3) . . ?
C9 Dy1 C10 30.4(3) . . ?
Cl1 Dy1 C10 107.6(3) . . ?

loop_
_geom_torsion_atom_site_label_1
_geom_torsion_atom_site_label_2
_geom_torsion_atom_site_label_3
_geom_torsion_atom_site_label_4
_geom_torsion
_geom_torsion_site_symmetry_1
_geom_torsion_site_symmetry_2
_geom_torsion_site_symmetry_3
_geom_torsion_site_symmetry_4
_geom_torsion_publ_flag
C5 C1 C2 C3 -1.4(12) . . . . ?
Dy1 C1 C2 C3 -68.6(7) . . . . ?
C5 C1 C2 Dy1 67.2(7) . . . . ?
C1 C2 C3 C4 1.2(11) . . . . ?
Dy1 C2 C3 C4 -67.4(7) . . . . ?
C1 C2 C3 Dy1 68.6(7) . . . . ?
C2 C3 C4 C5 -0.6(11) . . . . ?
Dy1 C3 C4 C5 -67.9(7) . . . . ?
C2 C3 C4 Dy1 67.3(7) . . . . ?
C2 C1 C5 C4 1.1(12) . . . . ?
Dy1 C1 C5 C4 68.5(7) . . . . ?
C2 C1 C5 Dy1 -67.4(7) . . . . ?
C3 C4 C5 C1 -0.3(12) . . . . ?
Dy1 C4 C5 C1 -68.8(8) . . . . ?
C3 C4 C5 Dy1 68.5(7) . . . . ?
C10 C6 C7 C8 1.5(13) . . . . ?
Dy1 C6 C7 C8 70.9(8) . . . . ?
C10 C6 C7 Dy1 -69.4(9) . . . . ?
C6 C7 C8 C9 -2.5(13) . . . . ?
Dy1 C7 C8 C9 67.9(8) . . . . ?
C6 C7 C8 Dy1 -70.4(8) . . . . ?
C7 C8 C9 C10 2.6(13) . . . . ?
Dy1 C8 C9 C10 68.6(8) . . . . ?
C7 C8 C9 Dy1 -66.0(8) . . . . ?
C7 C6 C10 C9 0.1(14) . . . . ?
Dy1 C6 C10 C9 -67.1(8) . . . . ?
C7 C6 C10 Dy1 67.2(8) . . . . ?
C8 C9 C10 C6 -1.7(13) . . . . ?
Dy1 C9 C10 C6 66.6(8) . . . . ?
C8 C9 C10 Dy1 -68.3(8) . . . . ?
O1 C11 C12A C13A -43.3(15) . . . . ?
C12B C11 C12A C13A 63.1(19) . . . . ?
C11 C12A C13A C14 52.1(16) . . . . ?
O1 C11 C12B C13B 42.9(17) . . . . ?
C12A C11 C12B C13B -39.1(17) . . . . ?
C11 C12B C13B C14 -50.5(15) . . . . ?
C12A C13A C14 O1 -41.7(16) . . . . ?
C12A C13A C14 C13B 45.4(16) . . . . ?
C12B C13B C14 C13A -52.1(19) . . . . ?
C12B C13B C14 O1 48.8(16) . . . . ?
C13A C14 O1 C11 13.4(14) . . . . ?
C13B C14 O1 C11 -20.2(12) . . . . ?
C13A C14 O1 Dy1 174.0(10) . . . . ?
C13B C14 O1 Dy1 140.4(8) . . . . ?
C12A C11 O1 C14 19.9(14) . . . . ?
C12B C11 O1 C14 -12.3(14) . . . . ?
C12A C11 O1 Dy1 -142.1(9) . . . . ?
C12B C11 O1 Dy1 -174.2(10) . . . . ?
C14 O1 Dy1 C7 -110.6(9) . . . . ?
C11 O1 Dy1 C7 47.4(8) . . . . ?
C14 O1 Dy1 C6 -103.9(8) . . . . ?
C11 O1 Dy1 C6 54.2(9) . . . . ?
C14 O1 Dy1 C5 164.8(8) . . . . ?
C11 O1 Dy1 C5 -37.1(8) . . . . ?
C14 O1 Dy1 C4 169.7(8) . . . . ?
C11 O1 Dy1 C4 -32.3(8) . . . . ?
C14 O1 Dy1 C2 118.6(8) . . . . ?
C11 O1 Dy1 C2 -83.4(8) . . . . ?
C14 O1 Dy1 C1 134.2(9) . . . . ?
C11 O1 Dy1 C1 -67.8(8) . . . . ?
C14 O1 Dy1 C3 139.2(8) . . . . ?
C11 O1 Dy1 C3 -62.8(9) . . . . ?
C14 O1 Dy1 C8 -83.1(9) . . . . ?
C11 O1 Dy1 C8 75.0(8) . . . . ?
C14 O1 Dy1 C9 -60.6(8) . . . . ?
C11 O1 Dy1 C9 97.4(8) . . . . ?
C14 O1 Dy1 Cl1 31.2(8) . . . . ?
C11 O1 Dy1 Cl1 -170.8(8) . . . . ?
C14 O1 Dy1 C10 -70.9(9) . . . . ?
C11 O1 Dy1 C10 87.1(8) . . . . ?
C6 C7 Dy1 O1 168.0(7) . . . . ?
C8 C7 Dy1 O1 57.6(7) . . . . ?
C8 C7 Dy1 C6 -110.4(10) . . . . ?
C6 C7 Dy1 C5 -112.6(7) . . . . ?
C8 C7 Dy1 C5 137.0(7) . . . . ?
C6 C7 Dy1 C4 -81.9(7) . . . . ?
C8 C7 Dy1 C4 167.7(7) . . . . ?
C6 C7 Dy1 C2 -93.2(8) . . . . ?
C8 C7 Dy1 C2 156.4(6) . . . . ?
C6 C7 Dy1 C1 -122.2(7) . . . . ?
C8 C7 Dy1 C1 127.4(7) . . . . ?
C6 C7 Dy1 C3 -68.3(8) . . . . ?
C8 C7 Dy1 C3 -178.7(6) . . . . ?
C6 C7 Dy1 C8 110.4(10) . . . . ?
C6 C7 Dy1 C9 75.0(8) . . . . ?
C8 C7 Dy1 C9 -35.4(7) . . . . ?
C6 C7 Dy1 Cl1 105.5(7) . . . . ?
C8 C7 Dy1 Cl1 -4.9(9) . . . . ?
C6 C7 Dy1 C10 35.0(6) . . . . ?
C8 C7 Dy1 C10 -75.4(7) . . . . ?
C10 C6 Dy1 O1 102.5(6) . . . . ?
C7 C6 Dy1 O1 -13.3(8) . . . . ?
C10 C6 Dy1 C7 115.9(10) . . . . ?
C10 C6 Dy1 C5 -176.7(7) . . . . ?
C7 C6 Dy1 C5 67.4(7) . . . . ?
C10 C6 Dy1 C4 -151.5(7) . . . . ?
C7 C6 Dy1 C4 92.7(7) . . . . ?
C10 C6 Dy1 C2 -132.7(6) . . . . ?
C7 C6 Dy1 C2 111.4(7) . . . . ?
C10 C6 Dy1 C1 -170.3(6) . . . . ?
C7 C6 Dy1 C1 73.8(8) . . . . ?
C10 C6 Dy1 C3 -126.2(7) . . . . ?
C7 C6 Dy1 C3 118.0(7) . . . . ?
C10 C6 Dy1 C8 76.5(7) . . . . ?
C7 C6 Dy1 C8 -39.4(7) . . . . ?
C10 C6 Dy1 C9 37.7(6) . . . . ?
C7 C6 Dy1 C9 -78.2(8) . . . . ?
C10 C6 Dy1 Cl1 7.0(8) . . . . ?
C7 C6 Dy1 Cl1 -108.8(7) . . . . ?
C7 C6 Dy1 C10 -115.9(10) . . . . ?
C1 C5 Dy1 O1 -74.9(6) . . . . ?
C4 C5 Dy1 O1 171.0(7) . . . . ?
C1 C5 Dy1 C7 -162.2(7) . . . . ?
C4 C5 Dy1 C7 83.7(7) . . . . ?
C1 C5 Dy1 C6 169.6(6) . . . . ?
C4 C5 Dy1 C6 55.5(7) . . . . ?
C1 C5 Dy1 C4 114.1(10) . . . . ?
C1 C5 Dy1 C2 36.8(6) . . . . ?
C4 C5 Dy1 C2 -77.3(7) . . . . ?
C4 C5 Dy1 C1 -114.1(10) . . . . ?
C1 C5 Dy1 C3 77.0(7) . . . . ?
C4 C5 Dy1 C3 -37.1(6) . . . . ?
C1 C5 Dy1 C8 -140.6(6) . . . . ?
C4 C5 Dy1 C8 105.3(7) . . . . ?
C1 C5 Dy1 C9 -154.2(6) . . . . ?
C4 C5 Dy1 C9 91.7(8) . . . . ?
C1 C5 Dy1 Cl1 -13.6(7) . . . . ?
C4 C5 Dy1 Cl1 -127.7(6) . . . . ?
C1 C5 Dy1 C10 167.7(6) . . . . ?
C4 C5 Dy1 C10 53.5(8) . . . . ?
C5 C4 Dy1 O1 -9.3(7) . . . . ?
C3 C4 Dy1 O1 -123.0(6) . . . . ?
C5 C4 Dy1 C7 -92.4(7) . . . . ?
C3 C4 Dy1 C7 154.0(7) . . . . ?
C5 C4 Dy1 C6 -123.3(7) . . . . ?
C3 C4 Dy1 C6 123.1(7) . . . . ?
C3 C4 Dy1 C5 -113.7(10) . . . . ?
C5 C4 Dy1 C2 76.5(7) . . . . ?
C3 C4 Dy1 C2 -37.2(6) . . . . ?
C5 C4 Dy1 C1 36.8(6) . . . . ?
C3 C4 Dy1 C1 -76.9(7) . . . . ?
C5 C4 Dy1 C3 113.7(10) . . . . ?
C5 C4 Dy1 C8 -85.5(7) . . . . ?
C3 C4 Dy1 C8 160.8(6) . . . . ?
C5 C4 Dy1 C9 -114.6(7) . . . . ?
C3 C4 Dy1 C9 131.7(7) . . . . ?
C5 C4 Dy1 Cl1 79.9(7) . . . . ?
C3 C4 Dy1 Cl1 -33.8(8) . . . . ?
C5 C4 Dy1 C10 -137.2(7) . . . . ?
C3 C4 Dy1 C10 109.1(7) . . . . ?
C1 C2 Dy1 O1 30.6(6) . . . . ?
C3 C2 Dy1 O1 144.5(6) . . . . ?
C1 C2 Dy1 C7 -62.3(8) . . . . ?
C3 C2 Dy1 C7 51.6(8) . . . . ?
C1 C2 Dy1 C6 -101.0(7) . . . . ?
C3 C2 Dy1 C6 12.8(8) . . . . ?
C1 C2 Dy1 C5 -36.9(6) . . . . ?
C3 C2 Dy1 C5 77.0(7) . . . . ?
C1 C2 Dy1 C4 -76.9(7) . . . . ?
C3 C2 Dy1 C4 37.0(6) . . . . ?
C3 C2 Dy1 C1 113.9(9) . . . . ?
C1 C2 Dy1 C3 -113.9(9) . . . . ?
C1 C2 Dy1 C8 -30.7(12) . . . . ?
C3 C2 Dy1 C8 83.1(10) . . . . ?
C1 C2 Dy1 Cl1 105.3(6) . . . . ?
C3 C2 Dy1 Cl1 -140.9(6) . . . . ?
C1 C2 Dy1 C10 -136.0(7) . . . . ?
C3 C2 Dy1 C10 -22.1(9) . . . . ?
C5 C1 Dy1 O1 97.6(6) . . . . ?
C2 C1 Dy1 O1 -148.2(7) . . . . ?
C5 C1 Dy1 C7 19.2(7) . . . . ?
C2 C1 Dy1 C7 133.4(6) . . . . ?
C5 C1 Dy1 C6 -12.8(8) . . . . ?
C2 C1 Dy1 C6 101.5(7) . . . . ?
C2 C1 Dy1 C5 114.2(10) . . . . ?
C5 C1 Dy1 C4 -37.1(6) . . . . ?
C2 C1 Dy1 C4 77.2(7) . . . . ?
C5 C1 Dy1 C2 -114.2(10) . . . . ?
C5 C1 Dy1 C3 -77.0(7) . . . . ?
C2 C1 Dy1 C3 37.2(6) . . . . ?
C5 C1 Dy1 C8 50.8(8) . . . . ?
C2 C1 Dy1 C8 165.0(6) . . . . ?
C5 C1 Dy1 C9 55.6(12) . . . . ?
C2 C1 Dy1 C9 169.8(8) . . . . ?
C5 C1 Dy1 Cl1 169.1(6) . . . . ?
C2 C1 Dy1 Cl1 -76.7(6) . . . . ?
C5 C1 Dy1 C10 -23.7(11) . . . . ?
C2 C1 Dy1 C10 90.6(9) . . . . ?
C4 C3 Dy1 O1 70.8(7) . . . . ?
C2 C3 Dy1 O1 -43.1(7) . . . . ?
C4 C3 Dy1 C7 -27.3(7) . . . . ?
C2 C3 Dy1 C7 -141.2(6) . . . . ?
C4 C3 Dy1 C6 -55.7(7) . . . . ?
C2 C3 Dy1 C6 -169.6(6) . . . . ?
C4 C3 Dy1 C5 37.2(7) . . . . ?
C2 C3 Dy1 C5 -76.7(7) . . . . ?
C2 C3 Dy1 C4 -113.9(9) . . . . ?
C4 C3 Dy1 C2 113.9(9) . . . . ?
C4 C3 Dy1 C1 77.0(7) . . . . ?
C2 C3 Dy1 C1 -36.9(6) . . . . ?
C4 C3 Dy1 C8 -28.4(9) . . . . ?
C2 C3 Dy1 C8 -142.3(6) . . . . ?
C4 C3 Dy1 C9 -75.7(9) . . . . ?
C2 C3 Dy1 C9 170.4(6) . . . . ?
C4 C3 Dy1 Cl1 157.2(6) . . . . ?
C2 C3 Dy1 Cl1 43.3(6) . . . . ?
C4 C3 Dy1 C10 -80.9(7) . . . . ?
C2 C3 Dy1 C10 165.3(6) . . . . ?
C9 C8 Dy1 O1 128.7(7) . . . . ?
C7 C8 Dy1 O1 -116.7(7) . . . . ?
C9 C8 Dy1 C7 -114.6(10) . . . . ?
C9 C8 Dy1 C6 -76.0(7) . . . . ?
C7 C8 Dy1 C6 38.6(7) . . . . ?
C9 C8 Dy1 C5 -159.6(7) . . . . ?
C7 C8 Dy1 C5 -45.0(7) . . . . ?
C9 C8 Dy1 C4 -127.7(7) . . . . ?
C7 C8 Dy1 C4 -13.1(8) . . . . ?
C9 C8 Dy1 C2 -164.5(8) . . . . ?
C7 C8 Dy1 C2 -49.9(12) . . . . ?
C9 C8 Dy1 C1 176.3(6) . . . . ?
C7 C8 Dy1 C1 -69.1(8) . . . . ?
C9 C8 Dy1 C3 -112.6(8) . . . . ?
C7 C8 Dy1 C3 1.9(10) . . . . ?
C7 C8 Dy1 C9 114.6(10) . . . . ?
C9 C8 Dy1 Cl1 62.0(7) . . . . ?
C7 C8 Dy1 Cl1 176.6(6) . . . . ?
C9 C8 Dy1 C10 -37.3(7) . . . . ?
C7 C8 Dy1 C10 77.3(7) . . . . ?
C8 C9 Dy1 O1 -47.4(7) . . . . ?
C10 C9 Dy1 O1 -161.9(7) . . . . ?
C8 C9 Dy1 C7 37.8(7) . . . . ?
C10 C9 Dy1 C7 -76.7(8) . . . . ?
C8 C9 Dy1 C6 78.2(7) . . . . ?
C10 C9 Dy1 C6 -36.2(7) . . . . ?
C8 C9 Dy1 C5 27.4(9) . . . . ?
C10 C9 Dy1 C5 -87.0(8) . . . . ?
C8 C9 Dy1 C4 67.0(8) . . . . ?
C10 C9 Dy1 C4 -47.5(9) . . . . ?
C8 C9 Dy1 C1 -7.7(13) . . . . ?
C10 C9 Dy1 C1 -122.1(10) . . . . ?
C8 C9 Dy1 C3 105.0(8) . . . . ?
C10 C9 Dy1 C3 -9.4(10) . . . . ?
C10 C9 Dy1 C8 -114.5(10) . . . . ?
C8 C9 Dy1 Cl1 -122.2(7) . . . . ?
C10 C9 Dy1 Cl1 123.3(7) . . . . ?
C8 C9 Dy1 C10 114.5(10) . . . . ?
Dy1 Cl1 Dy1 O1 -178.37(18) 3_656 . . . ?
Dy1 Cl1 Dy1 C7 -111.8(4) 3_656 . . . ?
Dy1 Cl1 Dy1 C6 -66.2(3) 3_656 . . . ?
Dy1 Cl1 Dy1 C5 118.5(3) 3_656 . . . ?
Dy1 Cl1 Dy1 C4 79.6(4) 3_656 . . . ?
Dy1 Cl1 Dy1 C2 82.2(2) 3_656 . . . ?
Dy1 Cl1 Dy1 C1 111.6(2) 3_656 . . . ?
Dy1 Cl1 Dy1 C3 61.7(3) 3_656 . . . ?
Dy1 Cl1 Dy1 C8 -114.5(3) 3_656 . . . ?
Dy1 Cl1 Dy1 C9 -88.9(3) 3_656 . . . ?
Dy1 Cl1 Dy1 C10 -62.6(3) 3_656 . . . ?
C6 C10 Dy1 O1 -93.0(6) . . . . ?
C9 C10 Dy1 O1 20.8(8) . . . . ?
C6 C10 Dy1 C7 -36.7(6) . . . . ?
C9 C10 Dy1 C7 77.1(8) . . . . ?
C9 C10 Dy1 C6 113.7(10) . . . . ?
C6 C10 Dy1 C5 4.0(8) . . . . ?
C9 C10 Dy1 C5 117.7(7) . . . . ?
C6 C10 Dy1 C4 28.9(7) . . . . ?
C9 C10 Dy1 C4 142.7(7) . . . . ?
C6 C10 Dy1 C2 72.0(9) . . . . ?
C9 C10 Dy1 C2 -174.3(6) . . . . ?
C6 C10 Dy1 C1 18.3(11) . . . . ?
C9 C10 Dy1 C1 132.1(8) . . . . ?
C6 C10 Dy1 C3 60.0(7) . . . . ?
C9 C10 Dy1 C3 173.8(7) . . . . ?
C6 C10 Dy1 C8 -77.9(7) . . . . ?
C9 C10 Dy1 C8 35.9(7) . . . . ?
C6 C10 Dy1 C9 -113.7(10) . . . . ?
C6 C10 Dy1 Cl1 -174.9(6) . . . . ?
C9 C10 Dy1 Cl1 -61.2(7) . . . . ?

_diffrn_measured_fraction_theta_max 0.999
_diffrn_reflns_theta_full        27.50
_diffrn_measured_fraction_theta_full 0.999
_refine_diff_density_max         3.620
_refine_diff_density_min         -1.720
_refine_diff_density_rms         0.266