

data_global

data_dy_lm
#TrackingRef 'dy_LM.cif'


_audit_update_record             
;
2013-02-12 # Formatted by publCIF
;
_audit_creation_date             2013-02-05
_audit_creation_method           
;
Olex2 1.2
(compiled Dec 5 2012 16:20:19, GUI svn.r4385)
;
_chemical_name_common            ?
_chemical_name_systematic        ?
_chemical_formula_moiety         'C15 H15 Dy O12'
_chemical_formula_sum            'C15 H15 Dy O12'
_chemical_formula_weight         549.77
_chemical_melting_point          ?
_chemical_oxdiff_formula         'C24 H24 O6 Dy2'
_chemical_oxdiff_usercomment     '293 K, shova, transparent,'
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'
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           15
_space_group_name_H-M_alt        'C 1 2/c 1'
_space_group_name_Hall           '-C 2yc'
loop_
_space_group_symop_id
_space_group_symop_operation_xyz
1 'x, y, z'
2 '-x, y, -z+1/2'
3 'x+1/2, y+1/2, z'
4 '-x+1/2, y+1/2, -z+1/2'
5 '-x, -y, -z'
6 'x, -y, z-1/2'
7 '-x+1/2, -y+1/2, -z'
8 'x+1/2, -y+1/2, z-1/2'

_cell_length_a                   22.1161(4)
_cell_length_b                   15.9756(3)
_cell_length_c                   10.1949(2)
_cell_angle_alpha                90.00
_cell_angle_beta                 100.050(2)
_cell_angle_gamma                90.00
_cell_volume                     3546.77(12)
_cell_formula_units_Z            8
_cell_measurement_reflns_used    3838
_cell_measurement_temperature    293(2)
_cell_measurement_theta_max      28.9004
_cell_measurement_theta_min      2.9844
_exptl_absorpt_coefficient_mu    4.279
_exptl_absorpt_correction_T_max  1.00000
_exptl_absorpt_correction_T_min  0.63422
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   
;
CrysAlisPro, Agilent Technologies,
Version 1.171.34.46 (release 25-11-2010 CrysAlis171 .NET)
(compiled Nov 25 2010,17:55:46)
Empirical absorption correction using spherical harmonics,
implemented in SCALE3 ABSPACK scaling algorithm.
;
_exptl_crystal_colour            colourless
_exptl_crystal_density_diffrn    2.059
_exptl_crystal_density_meas      ?
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       prism
_exptl_crystal_F_000             2136
_exptl_crystal_size_max          0.2
_exptl_crystal_size_mid          0.1
_exptl_crystal_size_min          0.1
_exptl_special_details           ?
_diffrn_reflns_av_R_equivalents  0.0232
_diffrn_reflns_av_unetI/netI     0.0385
_diffrn_reflns_limit_h_max       27
_diffrn_reflns_limit_h_min       -14
_diffrn_reflns_limit_k_max       11
_diffrn_reflns_limit_k_min       -19
_diffrn_reflns_limit_l_max       12
_diffrn_reflns_limit_l_min       -11
_diffrn_reflns_number            6694
_diffrn_reflns_theta_full        25.99
_diffrn_reflns_theta_max         25.99
_diffrn_reflns_theta_min         3.08
_diffrn_ambient_temperature      293(2)
_diffrn_detector_area_resol_mean 15.9914
_diffrn_measured_fraction_theta_full 0.996
_diffrn_measured_fraction_theta_max 0.996
_diffrn_measurement_details      
;
#__ type_ start__ end____ width___ exp.time_
1 omega 4.00 51.00 1.0000 6.2000
omega____ theta____ kappa____ phi______ frames
- -21.4039 77.0000 0.0000 47

#__ type_ start__ end____ width___ exp.time_
2 omega -104.00 -32.00 1.0000 6.2000
omega____ theta____ kappa____ phi______ frames
- -21.4039 179.0000 -120.0000 72

#__ type_ start__ end____ width___ exp.time_
3 omega -94.00 11.00 1.0000 6.2000
omega____ theta____ kappa____ phi______ frames
- -21.4039 -77.0000 150.0000 105
;
_diffrn_measurement_device_type  'Xcalibur, Eos'
_diffrn_measurement_method       'ω scans'
_diffrn_orient_matrix_UB_11      0.0172492000
_diffrn_orient_matrix_UB_12      0.0335991000
_diffrn_orient_matrix_UB_13      0.0208431000
_diffrn_orient_matrix_UB_21      -0.0182976000
_diffrn_orient_matrix_UB_22      0.0290228000
_diffrn_orient_matrix_UB_23      -0.0242827000
_diffrn_orient_matrix_UB_31      -0.0660220000
_diffrn_orient_matrix_UB_32      0.0007350000
_diffrn_orient_matrix_UB_33      0.0060798000
_diffrn_radiation_monochromator  graphite
_diffrn_radiation_type           'Mo K\a'
_diffrn_radiation_wavelength     0.7107
_diffrn_source                   'Enhance (Mo) X-ray Source'
_diffrn_standards_decay_%        ?
_diffrn_standards_interval_count ?
_diffrn_standards_interval_time  ?
_diffrn_standards_number         ?
_reflns_number_gt                2986
_reflns_number_total             3475
_reflns_odcompleteness_completeness 99.71
_reflns_odcompleteness_iscentric 1
_reflns_odcompleteness_theta     26.32
_reflns_threshold_expression     >2sigma(I)
_computing_cell_refinement       
;
CrysAlisPro, Agilent Technologies,
Version 1.171.34.46 (release 25-11-2010 CrysAlis171 .NET)
(compiled Nov 25 2010,17:55:46)
;
_computing_data_collection       
;
CrysAlisPro, Agilent Technologies,
Version 1.171.34.46 (release 25-11-2010 CrysAlis171 .NET)
(compiled Nov 25 2010,17:55:46)
;
_computing_data_reduction        
;
CrysAlisPro, Agilent Technologies,
Version 1.171.34.46 (release 25-11-2010 CrysAlis171 .NET)
(compiled Nov 25 2010,17:55:46)
;
_computing_molecular_graphics    
;
O. V. Dolomanov, L. J. Bourhis, R. J. Gildea, J. A. K. Howard and H. Puschmann,
OLEX2: a complete structure solution, refinement and analysis program.
J. Appl. Cryst. (2009). 42, 339-341.
;
_computing_publication_material  
;
O. V. Dolomanov, L. J. Bourhis, R. J. Gildea, J. A. K. Howard and H. Puschmann,
OLEX2: a complete structure solution, refinement and analysis program.
J. Appl. Cryst. (2009). 42, 339-341.
;
_computing_structure_refinement  
;
SHELXL, G.M. Sheldrick, Acta Cryst.
(2008). A64, 112-122
;
_computing_structure_solution    'SHELXS-97 (Sheldrick, 1990)'
_refine_diff_density_max         0.661
_refine_diff_density_min         -0.844
_refine_diff_density_rms         0.109
_refine_ls_extinction_coef       ?
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.040
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     316
_refine_ls_number_reflns         3475
_refine_ls_number_restraints     28
_refine_ls_R_factor_all          0.0357
_refine_ls_R_factor_gt           0.0291
_refine_ls_restrained_S_all      1.056
_refine_ls_shift/su_max          0.001
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details     
'calc w=1/[σ²(Fo²)+(0.0193P)²+8.6309P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0603
_refine_ls_wR_factor_ref         0.0640
_refine_special_details          
;
Refinement of F² against ALL reflections. The weighted R-factor wR and
goodness of fit S are based on F², conventional R-factors R are based
on F, with F set to zero for negative F². The threshold expression of
F² > 2sigma(F²) is used only for calculating R-factors(gt) etc. and is
not relevant to the choice of reflections for refinement. R-factors based
on F² are statistically about twice as large as those based on F, and R-
factors based on ALL data will be even larger.
;
_olex2_refinement_description    
;
1. Fixed Uiso
At 1.2 times of:
H14 of C14, H15 of C15, H13 of C13, {H2WA,H1WA} of O2W, H14X of C14X, {H7XA,
H7XB} of O7X, H13X of C13X, H15X of C15X, H10 of C10, H3 of C3, H9 of C9, H4
of C4, H8 of C8, {H7A,H7B} of O7, {H2WB,H1WB} of O1W, H5 of C5
2. Restrained distances
O5-C6 ~ O4-C6 ~ O7-C11 ~ O8-C11 ~ O2-C1 ~ O1-C1 ~ O8X-C11X ~ O7X-C11X
with sigma of 0.02
3. Others
Fixed Sof: O8(0.5) O9(0.5) C12(0.5) C14(0.5) H14(0.5) C15(0.5) H15(0.5)
C13(0.5) H13(0.5) H7A(0.5) H7B(0.5) C11(0.5) O9X(0.5) C12X(0.5) C15X(0.5)
H15X(0.5) C13X(0.5) H13X(0.5) C11X(0.5) H7XA(0.5) H7XB(0.5) O8X(0.5) C14X(0.5)
H14X(0.5)
4.a Riding coordinates:
O2W(H2WA,H1WA), O1W(H2WB,H1WB), O7(H7A,H7B), O7X(H7XA,H7XB)
4.b Aromatic/amide H refined with riding coordinates:
C14(H14), C15(H15), C13(H13), C5(H5), C8(H8), C4(H4), C9(H9), C3(H3),
C10(H10), C15X(H15X), C13X(H13X), C14X(H14X)
;
_atom_sites_solution_hydrogens   geom
_atom_sites_solution_primary     direct
_atom_sites_solution_secondary   difmap

loop_
_atom_site_label
_atom_site_type_symbol
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_U_iso_or_equiv
_atom_site_adp_type
_atom_site_occupancy
_atom_site_symmetry_multiplicity
_atom_site_calc_flag
_atom_site_refinement_flags
_atom_site_disorder_assembly
_atom_site_disorder_group
O8 O 1.3037(8) 1.5104(6) 0.7932(16) 0.032(3) Uani 0.50 1 d PD A 1
O9 O 1.4123(10) 1.5852(13) 0.587(3) 0.050(7) Uani 0.50 1 d P A 1
C12 C 1.3818(4) 1.5260(6) 0.6672(10) 0.032(2) Uani 0.50 1 d P A 1
C14 C 1.4502(6) 1.4551(8) 0.5779(15) 0.050(4) Uani 0.50 1 d P A 1
H14 H 1.4741 1.4119 0.5535 0.060 Uiso 0.50 1 calc PR A 1
C15 C 1.4526(6) 1.5378(8) 0.5413(12) 0.052(3) Uani 0.50 1 d P A 1
H15 H 1.4800 1.5582 0.4896 0.063 Uiso 0.50 1 calc PR A 1
C13 C 1.4055(11) 1.448(2) 0.658(4) 0.049(6) Uani 0.50 1 d P A 1
H13 H 1.3939 1.3993 0.6972 0.059 Uiso 0.50 1 calc PR A 1
Dy1 Dy 1.243885(9) 1.744284(12) 0.751620(18) 0.02125(8) Uani 1 1 d . . .
O3 O 1.46403(14) 1.7647(2) 1.1187(3) 0.0347(8) Uani 1 1 d . . .
O1 O 1.31306(14) 1.73003(19) 0.9436(3) 0.0330(8) Uani 1 1 d D . .
O2W O 1.22167(14) 1.60745(17) 0.8586(3) 0.0293(7) Uani 1 1 d . . .
H2WA H 1.1827 1.5902 0.8401 0.035 Uiso 1 1 d R . .
H1WA H 1.2628 1.8843 0.9489 0.035 Uiso 1 1 d R . .
O4 O 1.30784(16) 1.79984(19) 0.6188(3) 0.0364(8) Uani 1 1 d D . .
C6 C 1.32709(19) 1.8445(2) 0.5346(4) 0.0222(9) Uani 1 1 d D . .
C2 C 1.4173(2) 1.7537(3) 1.0129(4) 0.0265(10) Uani 1 1 d . . .
C5 C 1.5163(2) 1.7717(3) 1.0670(6) 0.0444(13) Uani 1 1 d . . .
H5 H 1.5553 1.7790 1.1169 0.053 Uiso 1 1 calc R . .
O1W O 1.26265(16) 1.87650(18) 0.8614(3) 0.0369(8) Uani 1 1 d . . .
H2WB H 1.2457 1.5647 0.8428 0.044 Uiso 1 1 d R . .
H1WB H 1.2413 1.9191 0.8174 0.044 Uiso 1 1 d R . .
C1 C 1.3551(2) 1.7445(2) 1.0414(4) 0.0239(9) Uani 1 1 d D . .
O7 O 1.31255(16) 1.63795(19) 0.6937(4) 0.0431(9) Uani 1 1 d D . .
H7A H 1.2904 1.5906 0.6826 0.052 Uiso 0.50 1 d PR B 2
H7B H 1.3412 1.6328 0.7658 0.052 Uiso 0.50 1 d PR B 2
C8 C 1.3810(2) 1.9487(3) 0.7086(5) 0.0328(11) Uani 1 1 d . . .
H8 H 1.3696 1.9284 0.7863 0.039 Uiso 1 1 calc R . .
C4 C 1.5037(3) 1.7665(4) 0.9346(6) 0.0559(16) Uani 1 1 d . . .
H4 H 1.5317 1.7698 0.8765 0.067 Uiso 1 1 calc R . .
C7 C 1.36565(19) 1.9155(2) 0.5864(4) 0.0212(9) Uani 1 1 d . . .
C9 C 1.4177(2) 2.0198(3) 0.6978(5) 0.0406(13) Uani 1 1 d . . .
H9 H 1.4345 2.0560 0.7659 0.049 Uiso 1 1 calc R . .
C11 C 1.3303(4) 1.5605(5) 0.7237(8) 0.0254(19) Uani 0.50 1 d PD A 1
C3 C 1.4398(2) 1.7553(3) 0.8998(5) 0.0414(13) Uani 1 1 d . . .
H3 H 1.4175 1.7499 0.8141 0.050 Uiso 1 1 calc R . .
C10 C 1.4233(3) 2.0244(3) 0.5707(6) 0.0433(14) Uani 1 1 d . . .
H10 H 1.4459 2.0652 0.5355 0.052 Uiso 1 1 calc R . .
O6 O 1.39176(16) 1.9621(2) 0.4984(3) 0.0388(8) Uani 1 1 d . . .
O2 O 1.34662(14) 1.74984(17) 1.1599(3) 0.0294(7) Uani 1 1 d D . .
O5 O 1.31794(16) 1.83143(19) 0.4127(3) 0.0376(8) Uani 1 1 d D . .
O9X O 1.0907(11) 1.9164(14) 0.431(3) 0.065(8) Uani 0.50 1 d P A 2
C12X C 1.1280(5) 1.9666(6) 0.5187(9) 0.033(2) Uani 0.50 1 d P A 2
C15X C 1.0553(6) 1.9614(9) 0.3437(12) 0.051(3) Uani 0.50 1 d P A 2
H15X H 1.0223 1.9411 0.2828 0.062 Uiso 0.50 1 calc PR A 2
C13X C 1.1184(5) 2.0431(7) 0.4705(12) 0.051(3) Uani 0.50 1 d P A 2
H13X H 1.1382 2.0912 0.5069 0.062 Uiso 0.50 1 calc PR A 2
C11X C 1.1734(4) 1.9298(5) 0.6247(8) 0.033(2) Uani 0.50 1 d PD A 2
O7X O 1.18190(17) 1.8479(2) 0.6167(3) 0.0461(10) Uani 1 1 d D . .
H7XA H 1.1779 1.8522 0.5220 0.055 Uiso 0.50 1 d PR A 1
H7XB H 1.1791 1.8999 0.6511 0.055 Uiso 0.50 1 d PR A 1
O8X O 1.2023(8) 1.9812(6) 0.7066(16) 0.034(3) Uani 0.50 1 d PD A 2
C14X C 1.0729(11) 2.0396(19) 0.354(4) 0.052(7) Uani 0.50 1 d P A 2
H14X H 1.0587 2.0835 0.2971 0.063 Uiso 0.50 1 calc PR 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
O8 C11 1.278(12) . ?
O9 C12 1.49(2) . ?
O9 C15 1.31(3) . ?
C12 C13 1.36(4) . ?
C12 C11 1.471(13) . ?
C14 H14 0.9300 . ?
C14 C15 1.376(18) . ?
C14 C13 1.39(3) . ?
C15 H15 0.9300 . ?
C13 H13 0.9300 . ?
Dy1 O1 2.276(3) . ?
Dy1 O2W 2.529(3) . ?
Dy1 O4 2.300(3) . ?
Dy1 O1W 2.392(3) . ?
Dy1 O7 2.419(3) . ?
Dy1 O2 2.337(3) 7_787 ?
Dy1 O5 2.311(3) 7_786 ?
Dy1 O7X 2.420(3) . ?
O3 C2 1.368(5) . ?
O3 C5 1.356(6) . ?
O1 C1 1.260(5) . ?
O2W H2WA 0.8926 . ?
O2W H2WB 0.8972 . ?
O4 C6 1.246(5) . ?
C6 C7 1.461(6) . ?
C6 O5 1.242(5) . ?
C2 C1 1.463(6) . ?
C2 C3 1.333(6) . ?
C5 H5 0.9300 . ?
C5 C4 1.332(8) . ?
O1W H1WA 0.9001 . ?
O1W H1WB 0.9008 . ?
C1 O2 1.257(5) . ?
O7 H7A 0.8974 . ?
O7 H7B 0.8855 . ?
O7 C11 1.318(8) . ?
C8 H8 0.9300 . ?
C8 C7 1.342(6) . ?
C8 C9 1.412(7) . ?
C4 H4 0.9300 . ?
C4 C3 1.408(8) . ?
C7 O6 1.369(5) . ?
C9 H9 0.9300 . ?
C9 C10 1.325(7) . ?
C11 H7A 1.0278 . ?
C11 H7B 1.2409 . ?
C3 H3 0.9300 . ?
C10 H10 0.9300 . ?
C10 O6 1.357(6) . ?
O2 Dy1 2.337(3) 7_787 ?
O5 Dy1 2.311(3) 7_786 ?
O9X C12X 1.37(3) . ?
O9X C15X 1.30(3) . ?
C12X C13X 1.320(14) . ?
C12X C11X 1.465(12) . ?
C15X H15X 0.9300 . ?
C15X C14X 1.31(3) . ?
C13X H13X 0.9300 . ?
C13X C14X 1.42(3) . ?
C11X O7X 1.325(8) . ?
C11X H7XB 0.5524 . ?
C11X O8X 1.263(13) . ?
O7X H7XA 0.9568 . ?
O7X H7XB 0.9069 . ?
O8X H7XB 1.4735 . ?
C14X H14X 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
C15 O9 C12 103.2(16) . . ?
C13 C12 O9 109.1(17) . . ?
C13 C12 C11 134.7(14) . . ?
C11 C12 O9 115.7(12) . . ?
C15 C14 H14 126.2 . . ?
C15 C14 C13 107.6(16) . . ?
C13 C14 H14 126.2 . . ?
O9 C15 C14 113.5(14) . . ?
O9 C15 H15 123.3 . . ?
C14 C15 H15 123.3 . . ?
C12 C13 C14 107(2) . . ?
C12 C13 H13 126.7 . . ?
C14 C13 H13 126.7 . . ?
O1 Dy1 O2W 72.21(10) . . ?
O1 Dy1 O4 98.91(12) . . ?
O1 Dy1 O1W 69.54(11) . . ?
O1 Dy1 O7 77.48(12) . . ?
O1 Dy1 O2 99.46(11) . 7_787 ?
O1 Dy1 O5 142.67(11) . 7_786 ?
O1 Dy1 O7X 141.86(12) . . ?
O4 Dy1 O2W 140.64(11) . . ?
O4 Dy1 O1W 81.97(11) . . ?
O4 Dy1 O7 69.55(11) . . ?
O4 Dy1 O2 150.23(11) . 7_787 ?
O4 Dy1 O5 97.00(11) . 7_786 ?
O4 Dy1 O7X 75.33(13) . . ?
O1W Dy1 O2W 126.32(10) . . ?
O1W Dy1 O7 131.99(12) . . ?
O1W Dy1 O7X 72.33(11) . . ?
O7 Dy1 O2W 71.08(10) . . ?
O7 Dy1 O7X 131.25(13) . . ?
O2 Dy1 O2W 67.93(10) 7_787 . ?
O2 Dy1 O1W 82.78(11) 7_787 . ?
O2 Dy1 O7 137.64(11) 7_787 . ?
O2 Dy1 O7X 75.73(12) 7_787 . ?
O5 Dy1 O2W 74.07(10) 7_786 . ?
O5 Dy1 O1W 146.47(12) 7_786 . ?
O5 Dy1 O7 76.87(12) 7_786 . ?
O5 Dy1 O2 82.11(11) 7_786 7_787 ?
O5 Dy1 O7X 75.01(12) 7_786 . ?
O7X Dy1 O2W 134.69(11) . . ?
C5 O3 C2 106.4(4) . . ?
C1 O1 Dy1 162.6(3) . . ?
Dy1 O2W H2WA 115.4 . . ?
Dy1 O2W H2WB 114.5 . . ?
H2WA O2W H2WB 107.8 . . ?
C6 O4 Dy1 160.9(3) . . ?
O4 C6 C7 116.3(4) . . ?
O5 C6 O4 125.3(4) . . ?
O5 C6 C7 118.3(4) . . ?
O3 C2 C1 117.6(4) . . ?
C3 C2 O3 109.6(4) . . ?
C3 C2 C1 132.8(4) . . ?
O3 C5 H5 124.8 . . ?
C4 C5 O3 110.3(5) . . ?
C4 C5 H5 124.8 . . ?
Dy1 O1W H1WA 123.8 . . ?
Dy1 O1W H1WB 113.6 . . ?
H1WA O1W H1WB 107.4 . . ?
O1 C1 C2 116.8(4) . . ?
O2 C1 O1 124.0(4) . . ?
O2 C1 C2 119.1(4) . . ?
Dy1 O7 H7A 105.7 . . ?
Dy1 O7 H7B 104.5 . . ?
H7A O7 H7B 108.8 . . ?
C11 O7 Dy1 141.0(4) . . ?
C11 O7 H7A 51.1 . . ?
C11 O7 H7B 65.2 . . ?
C7 C8 H8 126.2 . . ?
C7 C8 C9 107.6(4) . . ?
C9 C8 H8 126.2 . . ?
C5 C4 H4 126.7 . . ?
C5 C4 C3 106.6(5) . . ?
C3 C4 H4 126.7 . . ?
C8 C7 C6 132.8(4) . . ?
C8 C7 O6 109.0(4) . . ?
O6 C7 C6 118.2(3) . . ?
C8 C9 H9 127.1 . . ?
C10 C9 C8 105.9(4) . . ?
C10 C9 H9 127.1 . . ?
O8 C11 C12 116.5(10) . . ?
O8 C11 O7 124.7(9) . . ?
O8 C11 H7A 94.2 . . ?
O8 C11 H7B 118.2 . . ?
C12 C11 H7A 133.2 . . ?
C12 C11 H7B 111.5 . . ?
O7 C11 C12 118.7(7) . . ?
O7 C11 H7A 42.8 . . ?
O7 C11 H7B 40.4 . . ?
H7A C11 H7B 78.8 . . ?
C2 C3 C4 107.1(5) . . ?
C2 C3 H3 126.5 . . ?
C4 C3 H3 126.5 . . ?
C9 C10 H10 124.3 . . ?
C9 C10 O6 111.3(4) . . ?
O6 C10 H10 124.3 . . ?
C10 O6 C7 106.2(4) . . ?
C1 O2 Dy1 130.9(3) . 7_787 ?
C6 O5 Dy1 141.8(3) . 7_786 ?
C15X O9X C12X 110.3(18) . . ?
O9X C12X C11X 120.3(13) . . ?
C13X C12X O9X 105.1(14) . . ?
C13X C12X C11X 133.8(10) . . ?
O9X C15X H15X 125.1 . . ?
O9X C15X C14X 109.8(19) . . ?
C14X C15X H15X 125.1 . . ?
C12X C13X H13X 125.7 . . ?
C12X C13X C14X 108.7(14) . . ?
C14X C13X H13X 125.7 . . ?
C12X C11X H7XB 141.0 . . ?
O7X C11X C12X 116.0(7) . . ?
O7X C11X H7XB 32.2 . . ?
O8X C11X C12X 115.4(9) . . ?
O8X C11X O7X 128.5(9) . . ?
O8X C11X H7XB 101.2 . . ?
Dy1 O7X H7XA 124.5 . . ?
Dy1 O7X H7XB 118.4 . . ?
C11X O7X Dy1 135.4(4) . . ?
C11X O7X H7XA 90.1 . . ?
C11X O7X H7XB 18.9 . . ?
H7XA O7X H7XB 108.9 . . ?
C11X O8X H7XB 21.6 . . ?
C15X C14X C13X 105(2) . . ?
C15X C14X H14X 127.4 . . ?
C13X C14X H14X 127.4 . . ?

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
O9 C12 C13 C14 1(3) . . . . ?
O9 C12 C11 O8 -180.0(16) . . . . ?
O9 C12 C11 O7 3.9(17) . . . . ?
C12 O9 C15 C14 3(2) . . . . ?
C15 O9 C12 C13 -2(3) . . . . ?
C15 O9 C12 C11 -175.6(13) . . . . ?
C15 C14 C13 C12 0(3) . . . . ?
C13 C12 C11 O8 9(3) . . . . ?
C13 C12 C11 O7 -167(2) . . . . ?
C13 C14 C15 O9 -2(2) . . . . ?
Dy1 O1 C1 C2 -68.7(11) . . . . ?
Dy1 O1 C1 O2 112.6(10) . . . . ?
Dy1 O4 C6 C7 99.4(9) . . . . ?
Dy1 O4 C6 O5 -83.4(10) . . . . ?
Dy1 O7 C11 O8 11.7(15) . . . . ?
Dy1 O7 C11 C12 -172.5(5) . . . . ?
O3 C2 C1 O1 -176.4(4) . . . . ?
O3 C2 C1 O2 2.4(6) . . . . ?
O3 C2 C3 C4 0.8(6) . . . . ?
O3 C5 C4 C3 -0.3(7) . . . . ?
O1 Dy1 O4 C6 -139.0(9) . . . . ?
O1 Dy1 O7 C11 65.6(7) . . . . ?
O1 Dy1 O7X C11X 0.5(8) . . . . ?
O1 C1 O2 Dy1 -9.8(6) . . . 7_787 ?
O2W Dy1 O1 C1 -171.6(11) . . . . ?
O2W Dy1 O4 C6 148.2(8) . . . . ?
O2W Dy1 O7 C11 -9.6(7) . . . . ?
O2W Dy1 O7X C11X 124.8(7) . . . . ?
O4 Dy1 O1 C1 47.9(10) . . . . ?
O4 Dy1 O7 C11 170.3(7) . . . . ?
O4 Dy1 O7X C11X -85.3(7) . . . . ?
O4 C6 C7 C8 -7.2(7) . . . . ?
O4 C6 C7 O6 174.9(4) . . . . ?
O4 C6 O5 Dy1 16.3(8) . . . 7_786 ?
C6 C7 O6 C10 178.3(4) . . . . ?
C2 O3 C5 C4 0.8(6) . . . . ?
C2 C1 O2 Dy1 171.5(3) . . . 7_787 ?
C5 O3 C2 C1 -179.9(4) . . . . ?
C5 O3 C2 C3 -1.0(5) . . . . ?
C5 C4 C3 C2 -0.3(7) . . . . ?
O1W Dy1 O1 C1 -30.0(10) . . . . ?
O1W Dy1 O4 C6 -71.3(9) . . . . ?
O1W Dy1 O7 C11 112.7(7) . . . . ?
O1W Dy1 O7X C11X 0.8(7) . . . . ?
C1 C2 C3 C4 179.5(5) . . . . ?
O7 Dy1 O1 C1 114.5(10) . . . . ?
O7 Dy1 O4 C6 148.0(9) . . . . ?
O7 Dy1 O7X C11X -130.0(7) . . . . ?
C8 C7 O6 C10 -0.1(5) . . . . ?
C8 C9 C10 O6 1.2(7) . . . . ?
C7 C6 O5 Dy1 -166.6(3) . . . 7_786 ?
C7 C8 C9 C10 -1.2(6) . . . . ?
C9 C8 C7 C6 -177.3(5) . . . . ?
C9 C8 C7 O6 0.8(6) . . . . ?
C9 C10 O6 C7 -0.7(6) . . . . ?
C11 C12 C13 C14 172.7(12) . . . . ?
C3 C2 C1 O1 5.0(7) . . . . ?
C3 C2 C1 O2 -176.2(5) . . . . ?
O2 Dy1 O1 C1 -108.5(10) 7_787 . . . ?
O2 Dy1 O4 C6 -11.5(10) 7_787 . . . ?
O2 Dy1 O7 C11 -24.7(8) 7_787 . . . ?
O2 Dy1 O7X C11X 87.7(7) 7_787 . . . ?
O5 Dy1 O1 C1 162.1(10) 7_786 . . . ?
O5 Dy1 O4 C6 74.9(9) 7_786 . . . ?
O5 Dy1 O7 C11 -87.0(7) 7_786 . . . ?
O5 Dy1 O7X C11X 173.2(7) 7_786 . . . ?
O5 C6 C7 C8 175.4(5) . . . . ?
O5 C6 C7 O6 -2.5(6) . . . . ?
O9X C12X C13X C14X 2(2) . . . . ?
O9X C12X C11X O7X 9.7(18) . . . . ?
O9X C12X C11X O8X -174.9(17) . . . . ?
O9X C15X C14X C13X -8(3) . . . . ?
C12X O9X C15X C14X 10(3) . . . . ?
C12X C13X C14X C15X 4(3) . . . . ?
C12X C11X O7X Dy1 -177.6(5) . . . . ?
C15X O9X C12X C13X -7(2) . . . . ?
C15X O9X C12X C11X -178.3(13) . . . . ?
C13X C12X C11X O7X -158.1(11) . . . . ?
C13X C12X C11X O8X 17.3(19) . . . . ?
C11X C12X C13X C14X 171.2(17) . . . . ?
O7X Dy1 O1 C1 -29.6(11) . . . . ?
O7X Dy1 O4 C6 2.4(9) . . . . ?
O7X Dy1 O7 C11 -143.1(7) . . . . ?
O8X C11X O7X Dy1 7.7(17) . . . . ?




