# Electronic Supplementary Material (ESI) for Chemical Communications
# This journal is © The Royal Society of Chemistry 2013

#######################################################################
#
#                 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_global


data_1
#TrackingRef 'data1-931774.cif'


_audit_creation_method           SHELXL-97
_chemical_name_systematic        
;
?
;
_chemical_name_common            ?
_chemical_melting_point          ?
_chemical_formula_moiety         ?
_chemical_formula_sum            'Cl4 Gd6 H24 O35'
_chemical_formula_weight         1669.49

loop_
_atom_type_symbol
_atom_type_description
_atom_type_scat_dispersion_real
_atom_type_scat_dispersion_imag
_atom_type_scat_source
Cl Cl 0.1484 0.1585 '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'
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'

_symmetry_cell_setting           monoclinic
_symmetry_space_group_name_H-M   C2/c

loop_
_symmetry_equiv_pos_as_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                   12.3981(6)
_cell_length_b                   13.3478(9)
_cell_length_c                   14.7429(14)
_cell_angle_alpha                90.00
_cell_angle_beta                 100.777(6)
_cell_angle_gamma                90.00
_cell_volume                     2396.7(3)
_cell_formula_units_Z            4
_cell_measurement_temperature    122(2)
_cell_measurement_reflns_used    3012
_cell_measurement_theta_min      2.8099
_cell_measurement_theta_max      29.1810

_exptl_crystal_description       rhomb
_exptl_crystal_colour            colorless
_exptl_crystal_size_max          0.23
_exptl_crystal_size_mid          0.21
_exptl_crystal_size_min          0.20
_exptl_crystal_density_meas      none
_exptl_crystal_density_diffrn    4.627
_exptl_crystal_density_method    'not measured'
_exptl_crystal_F_000             3024
_exptl_absorpt_coefficient_mu    16.967
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_correction_T_min  0.1117
_exptl_absorpt_correction_T_max  0.1325
_exptl_absorpt_process_details   
;
CrysAlisPro, Agilent Technologies,
Version 1.171.35.19 (release 27-10-2011 CrysAlis171 .NET)
(compiled Oct 27 2011,15:02:11)
Empirical absorption correction using spherical harmonics,
implemented in SCALE3 ABSPACK scaling algorithm.
;

_exptl_special_details           
;
?
;

_diffrn_ambient_temperature      122(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  'SuperNova, Single source at offset), Eos'
_diffrn_measurement_method       '\w scans'
_diffrn_detector_area_resol_mean 16.2116
_diffrn_standards_number         ?
_diffrn_standards_interval_count ?
_diffrn_standards_interval_time  ?
_diffrn_standards_decay_%        ?
_diffrn_reflns_number            4355
_diffrn_reflns_av_R_equivalents  0.0280
_diffrn_reflns_av_sigmaI/netI    0.0278
_diffrn_reflns_limit_h_min       -10
_diffrn_reflns_limit_h_max       14
_diffrn_reflns_limit_k_min       -15
_diffrn_reflns_limit_k_max       14
_diffrn_reflns_limit_l_min       -17
_diffrn_reflns_limit_l_max       12
_diffrn_reflns_theta_min         2.83
_diffrn_reflns_theta_max         25.00
_reflns_number_total             2041
_reflns_number_gt                1859
_reflns_threshold_expression     >2sigma(I)

_computing_data_collection       
;
CrysAlisPro, Agilent Technologies,
Version 1.171.35.19 (release 27-10-2011 CrysAlis171 .NET)
(compiled Oct 27 2011,15:02:11)
;
_computing_cell_refinement       
;
CrysAlisPro, Agilent Technologies,
Version 1.171.35.19 (release 27-10-2011 CrysAlis171 .NET)
(compiled Oct 27 2011,15:02:11)
;
_computing_data_reduction        
;
CrysAlisPro, Agilent Technologies,
Version 1.171.35.19 (release 27-10-2011 CrysAlis171 .NET)
(compiled Oct 27 2011,15:02:11)
;
_computing_structure_solution    'SHELXS-97 (Sheldrick, 1990)'
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 1997)'
_computing_molecular_graphics    'Bruker SHELXTL'
_computing_publication_material  'Bruker SHELXTL'

_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.
DFIX 0.85 H4 O4
DFIX 0.85 O2 H2
DFIX 0.85 O7 H7
DFIX 2.8 H2 Gd2
DFIX 0.85 H5b O5
DFIX 0.85 H5a O5
DFIX 1.35 H5a H5b
DFIX 0.85 H15a O15
DFIX 0.85 H15b O15
DFIX 1.35 H15b H15a
DFIX 0.85 H3 O3
DFIX 2.65 H3 Gd1
EADP O16A O16B
;

_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^)+(0.0640P)^2^+0.2041P] 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    Constrained
_refine_ls_extinction_method     none
_refine_ls_extinction_coef       ?
_refine_ls_number_reflns         2041
_refine_ls_number_parameters     220
_refine_ls_number_restraints     12
_refine_ls_R_factor_all          0.0390
_refine_ls_R_factor_gt           0.0367
_refine_ls_wR_factor_ref         0.1000
_refine_ls_wR_factor_gt          0.0967
_refine_ls_goodness_of_fit_ref   1.065
_refine_ls_restrained_S_all      1.062
_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
O1 O 0.5000 0.2987(6) 0.7500 0.083(2) Uani 1 2 d S . .
O2 O 0.3328(5) 0.4150(5) 0.7624(4) 0.0852(13) Uani 1 1 d D . .
O3 O 0.4569(6) 0.1879(5) 0.6051(5) 0.0918(16) Uani 1 1 d D A .
O4 O 0.6706(6) 0.1934(4) 0.7420(5) 0.0844(14) Uani 1 1 d D . .
O5 O 0.8215(6) 0.3114(5) 0.6436(6) 0.0967(18) Uani 1 1 d D . .
O6 O 0.3450(5) 0.5901(5) 0.6522(5) 0.0936(15) Uani 1 1 d . . .
O7 O 0.4666(5) 0.4171(5) 0.6022(5) 0.0903(14) Uani 1 1 d D A .
O8 O 0.3323(5) 0.5751(5) 0.4868(5) 0.0940(15) Uani 1 1 d . . .
O9 O 0.2285(5) 0.4661(5) 0.5656(5) 0.0947(15) Uani 1 1 d . A .
O10 O 0.3199(5) 0.3034(5) 0.4533(5) 0.0916(16) Uani 1 1 d . . .
O11 O 0.1302(6) 0.2903(5) 0.6665(5) 0.0943(16) Uani 1 1 d . A .
O12 O 0.1792(5) 0.6409(5) 0.5496(5) 0.0972(16) Uani 1 1 d . . .
O13 O -0.0137(5) 0.2294(6) 0.5476(5) 0.0961(15) Uani 1 1 d . . .
O14 O 0.0883(6) 0.1152(5) 0.6544(5) 0.1006(18) Uani 1 1 d . . .
O15 O 0.5464(6) -0.0193(6) 0.6485(6) 0.1035(18) Uani 1 1 d D A .
O17 O 0.5000 -0.103(2) 0.7500 0.080(7) Uani 0.25 2 d SP A .
O16A O 0.3315(6) 0.0163(7) 0.6630(6) 0.0789(16) Uani 0.70 1 d P A 1
O16B O 0.3274(16) 0.0699(16) 0.6383(14) 0.0789(16) Uani 0.30 1 d P A 2
Cl1 Cl 0.27233(18) 0.56982(18) 0.56363(16) 0.0932(5) Uani 1 1 d . . .
Cl2 Cl 0.0925(2) 0.20511(17) 0.60408(17) 0.0910(5) Uani 1 1 d . . .
Gd2 Gd 0.5000 0.49781(5) 0.7500 0.0858(2) Uani 1 2 d SD . .
Gd1 Gd 0.5000 0.11294(5) 0.7500 0.0877(2) Uani 1 2 d SD . .
Gd4 Gd 0.32774(4) 0.31000(3) 0.63394(3) 0.08618(18) Uani 1 1 d . . .
Gd3 Gd 0.61117(4) 0.29925(3) 0.61579(3) 0.08668(18) Uani 1 1 d . . .
H7 H 0.456(9) 0.433(8) 0.546(2) 0.104 Uiso 1 1 d D . .
H2 H 0.283(3) 0.457(2) 0.768(8) 0.104 Uiso 1 1 d D . .
H4 H 0.725(6) 0.157(7) 0.740(8) 0.104 Uiso 1 1 d D . .
H5A H 0.829(8) 0.372(3) 0.660(7) 0.104 Uiso 1 1 d D . .
H5B H 0.868(8) 0.302(6) 0.609(7) 0.104 Uiso 1 1 d D . .
H15A H 0.570(9) -0.009(6) 0.598(4) 0.104 Uiso 1 1 d D . .
H15B H 0.554(9) -0.082(2) 0.655(6) 0.104 Uiso 1 1 d D . .
H3 H 0.412(16) 0.147(9) 0.575(5) 0.22(9) Uiso 1 1 d 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
O1 0.073(4) 0.100(6) 0.076(4) 0.000 0.012(3) 0.000
O2 0.080(3) 0.085(3) 0.093(3) -0.003(3) 0.021(2) 0.000(3)
O3 0.094(4) 0.091(4) 0.090(4) 0.000(3) 0.016(3) -0.001(3)
O4 0.083(3) 0.083(4) 0.088(4) -0.001(2) 0.020(3) 0.000(2)
O5 0.100(4) 0.090(4) 0.104(5) -0.004(3) 0.029(3) 0.001(3)
O6 0.092(4) 0.095(4) 0.094(4) 0.000(3) 0.016(3) 0.004(3)
O7 0.089(3) 0.091(4) 0.091(3) 0.002(3) 0.016(3) 0.003(3)
O8 0.089(3) 0.100(4) 0.096(4) 0.006(3) 0.025(3) 0.000(3)
O9 0.092(3) 0.091(4) 0.101(4) 0.004(3) 0.018(3) 0.002(3)
O10 0.082(3) 0.100(4) 0.094(4) -0.001(3) 0.021(3) -0.005(3)
O11 0.093(4) 0.092(4) 0.097(4) -0.010(3) 0.017(3) 0.002(3)
O12 0.101(4) 0.095(4) 0.096(4) 0.000(3) 0.020(3) 0.012(3)
O13 0.091(4) 0.103(4) 0.095(4) 0.003(3) 0.016(3) 0.006(3)
O14 0.100(4) 0.096(4) 0.104(4) 0.008(3) 0.015(3) -0.014(3)
O15 0.109(4) 0.090(4) 0.116(5) 0.000(3) 0.033(4) 0.003(3)
O17 0.11(2) 0.072(15) 0.055(12) 0.000 0.003(12) 0.000
O16A 0.082(4) 0.073(5) 0.082(4) -0.001(3) 0.016(3) -0.003(4)
O16B 0.082(4) 0.073(5) 0.082(4) -0.001(3) 0.016(3) -0.003(4)
Cl1 0.0923(12) 0.0940(13) 0.0945(12) -0.0006(10) 0.0204(9) 0.0010(9)
Cl2 0.0888(12) 0.0931(13) 0.0913(13) 0.0008(9) 0.0176(9) -0.0004(9)
Gd2 0.0851(4) 0.0852(4) 0.0873(4) 0.000 0.0168(3) 0.000
Gd1 0.0881(4) 0.0860(4) 0.0895(4) 0.000 0.0180(3) 0.000
Gd4 0.0844(3) 0.0863(3) 0.0883(3) 0.00010(17) 0.0175(2) -0.00039(16)
Gd3 0.0855(3) 0.0873(3) 0.0877(3) 0.00015(17) 0.0175(2) 0.00059(17)

_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
O1 Gd4 2.4789(7) . ?
O1 Gd4 2.4789(7) 2_656 ?
O1 Gd1 2.480(8) . ?
O1 Gd3 2.6143(5) 2_656 ?
O1 Gd3 2.6143(5) . ?
O1 Gd2 2.657(8) . ?
O2 Gd4 2.348(6) . ?
O2 Gd3 2.372(6) 2_656 ?
O2 Gd2 2.386(6) . ?
O3 Gd1 2.329(7) . ?
O3 Gd4 2.378(7) . ?
O3 Gd3 2.403(7) . ?
O4 Gd3 2.343(6) . ?
O4 Gd1 2.395(6) . ?
O4 Gd4 2.399(6) 2_656 ?
O5 Gd3 2.567(8) . ?
O6 Cl1 1.466(7) . ?
O6 Gd2 2.501(7) . ?
O7 Gd4 2.351(7) . ?
O7 Gd3 2.365(6) . ?
O7 Gd2 2.396(7) . ?
O8 Cl1 1.469(7) . ?
O8 Gd3 2.446(6) 5_666 ?
O9 Cl1 1.489(7) . ?
O9 Gd4 2.532(6) . ?
O10 Cl2 1.501(7) 7_556 ?
O10 Gd4 2.532(6) 7_556 ?
O10 Gd4 2.648(7) . ?
O11 Cl2 1.482(7) . ?
O11 Gd4 2.596(7) . ?
O12 Cl1 1.479(7) . ?
O12 Gd3 2.537(7) 3_455 ?
O13 Cl2 1.456(7) . ?
O13 Gd3 2.514(7) 7_556 ?
O14 Cl2 1.417(7) . ?
O14 Gd2 2.494(7) 3_445 ?
O15 Gd1 2.452(7) . ?
O17 Gd1 2.89(3) . ?
O16A Gd1 2.583(8) . ?
O16B Gd1 2.511(19) . ?
Cl2 O10 1.501(7) 7_556 ?
Cl2 Gd4 3.191(2) . ?
Gd2 O2 2.386(6) 2_656 ?
Gd2 O7 2.396(7) 2_656 ?
Gd2 O14 2.494(7) 4_556 ?
Gd2 O14 2.494(7) 3 ?
Gd2 O6 2.501(7) 2_656 ?
Gd2 Gd4 3.5223(7) . ?
Gd2 Gd4 3.5223(7) 2_656 ?
Gd2 Gd3 3.7228(6) . ?
Gd1 O3 2.329(7) 2_656 ?
Gd1 O4 2.395(6) 2_656 ?
Gd1 O15 2.452(7) 2_656 ?
Gd1 O16B 2.511(19) 2_656 ?
Gd1 O16A 2.583(8) 2_656 ?
Gd4 O4 2.399(6) 2_656 ?
Gd4 O10 2.532(6) 7_556 ?
Gd4 Gd3 3.5766(7) . ?
Gd3 O2 2.372(6) 2_656 ?
Gd3 O8 2.446(6) 5_666 ?
Gd3 O13 2.514(7) 7_556 ?
Gd3 O12 2.537(7) 3_545 ?
Gd3 Gd4 3.6281(7) 2_656 ?

loop_
_geom_angle_atom_site_label_1
_geom_angle_atom_site_label_2
_geom_angle_atom_site_label_3
_geom_angle
_geom_angle_site_symmetry_1
_geom_angle_site_symmetry_3
_geom_angle_publ_flag
Gd4 O1 Gd4 173.0(4) . 2_656 ?
Gd4 O1 Gd1 93.48(19) . . ?
Gd4 O1 Gd1 93.48(19) 2_656 . ?
Gd4 O1 Gd3 90.81(2) . 2_656 ?
Gd4 O1 Gd3 89.17(2) 2_656 2_656 ?
Gd1 O1 Gd3 90.15(18) . 2_656 ?
Gd4 O1 Gd3 89.17(2) . . ?
Gd4 O1 Gd3 90.81(2) 2_656 . ?
Gd1 O1 Gd3 90.15(18) . . ?
Gd3 O1 Gd3 179.7(4) 2_656 . ?
Gd4 O1 Gd2 86.52(19) . . ?
Gd4 O1 Gd2 86.52(19) 2_656 . ?
Gd1 O1 Gd2 180.0 . . ?
Gd3 O1 Gd2 89.85(18) 2_656 . ?
Gd3 O1 Gd2 89.85(18) . . ?
Gd4 O2 Gd3 100.5(2) . 2_656 ?
Gd4 O2 Gd2 96.1(2) . . ?
Gd3 O2 Gd2 103.0(2) 2_656 . ?
Gd1 O3 Gd4 100.2(3) . . ?
Gd1 O3 Gd3 99.4(3) . . ?
Gd4 O3 Gd3 96.8(2) . . ?
Gd3 O4 Gd1 99.2(2) . . ?
Gd3 O4 Gd4 99.8(2) . 2_656 ?
Gd1 O4 Gd4 97.8(2) . 2_656 ?
Cl1 O6 Gd2 134.5(4) . . ?
Gd4 O7 Gd3 98.7(3) . . ?
Gd4 O7 Gd2 95.8(2) . . ?
Gd3 O7 Gd2 102.9(2) . . ?
Cl1 O8 Gd3 139.0(4) . 5_666 ?
Cl1 O9 Gd4 128.4(4) . . ?
Cl2 O10 Gd4 101.5(3) 7_556 7_556 ?
Cl2 O10 Gd4 132.4(4) 7_556 . ?
Gd4 O10 Gd4 114.7(2) 7_556 . ?
Cl2 O11 Gd4 99.3(4) . . ?
Cl1 O12 Gd3 142.0(4) . 3_455 ?
Cl2 O13 Gd3 137.4(4) . 7_556 ?
Cl2 O14 Gd2 153.0(5) . 3_445 ?
O6 Cl1 O8 111.3(4) . . ?
O6 Cl1 O12 109.9(4) . . ?
O8 Cl1 O12 110.8(4) . . ?
O6 Cl1 O9 108.7(4) . . ?
O8 Cl1 O9 107.4(4) . . ?
O12 Cl1 O9 108.7(4) . . ?
O14 Cl2 O13 111.7(4) . . ?
O14 Cl2 O11 111.3(5) . . ?
O13 Cl2 O11 109.3(4) . . ?
O14 Cl2 O10 109.4(4) . 7_556 ?
O13 Cl2 O10 111.5(4) . 7_556 ?
O11 Cl2 O10 103.3(4) . 7_556 ?
O14 Cl2 Gd4 114.9(3) . . ?
O13 Cl2 Gd4 133.3(3) . . ?
O11 Cl2 Gd4 53.4(3) . . ?
O10 Cl2 Gd4 51.0(3) 7_556 . ?
O2 Gd2 O2 124.8(3) . 2_656 ?
O2 Gd2 O7 81.8(2) . . ?
O2 Gd2 O7 74.2(2) 2_656 . ?
O2 Gd2 O7 74.2(2) . 2_656 ?
O2 Gd2 O7 81.8(2) 2_656 2_656 ?
O7 Gd2 O7 126.5(3) . 2_656 ?
O2 Gd2 O14 76.6(2) . 4_556 ?
O2 Gd2 O14 144.5(2) 2_656 4_556 ?
O7 Gd2 O14 141.0(2) . 4_556 ?
O7 Gd2 O14 77.8(2) 2_656 4_556 ?
O2 Gd2 O14 144.5(2) . 3 ?
O2 Gd2 O14 76.6(2) 2_656 3 ?
O7 Gd2 O14 77.8(2) . 3 ?
O7 Gd2 O14 141.0(2) 2_656 3 ?
O14 Gd2 O14 102.2(4) 4_556 3 ?
O2 Gd2 O6 140.2(2) . 2_656 ?
O2 Gd2 O6 71.8(2) 2_656 2_656 ?
O7 Gd2 O6 136.9(2) . 2_656 ?
O7 Gd2 O6 73.4(2) 2_656 2_656 ?
O14 Gd2 O6 74.7(2) 4_556 2_656 ?
O14 Gd2 O6 69.2(2) 3 2_656 ?
O2 Gd2 O6 71.8(2) . . ?
O2 Gd2 O6 140.2(2) 2_656 . ?
O7 Gd2 O6 73.4(2) . . ?
O7 Gd2 O6 136.9(2) 2_656 . ?
O14 Gd2 O6 69.2(2) 4_556 . ?
O14 Gd2 O6 74.7(2) 3 . ?
O6 Gd2 O6 121.0(3) 2_656 . ?
O2 Gd2 O1 62.41(15) . . ?
O2 Gd2 O1 62.41(15) 2_656 . ?
O7 Gd2 O1 63.27(16) . . ?
O7 Gd2 O1 63.27(16) 2_656 . ?
O14 Gd2 O1 128.91(18) 4_556 . ?
O14 Gd2 O1 128.91(18) 3 . ?
O6 Gd2 O1 119.51(16) 2_656 . ?
O6 Gd2 O1 119.51(16) . . ?
O2 Gd2 Gd4 41.51(14) . . ?
O2 Gd2 Gd4 95.14(15) 2_656 . ?
O7 Gd2 Gd4 41.60(16) . . ?
O7 Gd2 Gd4 96.18(16) 2_656 . ?
O14 Gd2 Gd4 115.55(17) 4_556 . ?
O14 Gd2 Gd4 117.57(17) 3 . ?
O6 Gd2 Gd4 164.04(16) 2_656 . ?
O6 Gd2 Gd4 74.91(16) . . ?
O1 Gd2 Gd4 44.625(11) . . ?
O2 Gd2 Gd4 95.14(15) . 2_656 ?
O2 Gd2 Gd4 41.51(14) 2_656 2_656 ?
O7 Gd2 Gd4 96.18(16) . 2_656 ?
O7 Gd2 Gd4 41.60(16) 2_656 2_656 ?
O14 Gd2 Gd4 117.57(17) 4_556 2_656 ?
O14 Gd2 Gd4 115.55(17) 3 2_656 ?
O6 Gd2 Gd4 74.91(16) 2_656 2_656 ?
O6 Gd2 Gd4 164.04(16) . 2_656 ?
O1 Gd2 Gd4 44.625(10) . 2_656 ?
Gd4 Gd2 Gd4 89.25(2) . 2_656 ?
O2 Gd2 Gd3 97.15(15) . . ?
O2 Gd2 Gd3 38.39(15) 2_656 . ?
O7 Gd2 Gd3 38.27(15) . . ?
O7 Gd2 Gd3 98.32(16) 2_656 . ?
O14 Gd2 Gd3 173.26(18) 4_556 . ?
O14 Gd2 Gd3 84.33(18) 3 . ?
O6 Gd2 Gd3 109.65(16) 2_656 . ?
O6 Gd2 Gd3 111.41(16) . . ?
O1 Gd2 Gd3 44.607(10) . . ?
Gd4 Gd2 Gd3 59.085(14) . . ?
Gd4 Gd2 Gd3 60.024(14) 2_656 . ?
O3 Gd1 O3 129.1(3) 2_656 . ?
O3 Gd1 O4 78.4(2) 2_656 . ?
O3 Gd1 O4 79.4(2) . . ?
O3 Gd1 O4 79.4(2) 2_656 2_656 ?
O3 Gd1 O4 78.4(2) . 2_656 ?
O4 Gd1 O4 126.7(3) . 2_656 ?
O3 Gd1 O15 146.1(3) 2_656 . ?
O3 Gd1 O15 77.8(3) . . ?
O4 Gd1 O15 89.0(2) . . ?
O4 Gd1 O15 131.5(2) 2_656 . ?
O3 Gd1 O15 77.8(3) 2_656 2_656 ?
O3 Gd1 O15 146.1(3) . 2_656 ?
O4 Gd1 O15 131.5(2) . 2_656 ?
O4 Gd1 O15 89.0(2) 2_656 2_656 ?
O15 Gd1 O15 87.9(4) . 2_656 ?
O3 Gd1 O1 64.55(17) 2_656 . ?
O3 Gd1 O1 64.55(17) . . ?
O4 Gd1 O1 63.36(14) . . ?
O4 Gd1 O1 63.36(14) 2_656 . ?
O15 Gd1 O1 136.07(19) . . ?
O15 Gd1 O1 136.07(19) 2_656 . ?
O3 Gd1 O16B 136.1(5) 2_656 . ?
O3 Gd1 O16B 58.4(5) . . ?
O4 Gd1 O16B 136.3(5) . . ?
O4 Gd1 O16B 58.8(5) 2_656 . ?
O15 Gd1 O16B 72.7(5) . . ?
O15 Gd1 O16B 88.1(5) 2_656 . ?
O1 Gd1 O16B 103.2(5) . . ?
O3 Gd1 O16B 58.4(5) 2_656 2_656 ?
O3 Gd1 O16B 136.1(5) . 2_656 ?
O4 Gd1 O16B 58.8(5) . 2_656 ?
O4 Gd1 O16B 136.3(5) 2_656 2_656 ?
O15 Gd1 O16B 88.1(5) . 2_656 ?
O15 Gd1 O16B 72.7(5) 2_656 2_656 ?
O1 Gd1 O16B 103.2(5) . 2_656 ?
O16B Gd1 O16B 153.5(10) . 2_656 ?
O3 Gd1 O16A 134.1(3) 2_656 . ?
O3 Gd1 O16A 74.6(3) . . ?
O4 Gd1 O16A 147.1(2) . . ?
O4 Gd1 O16A 66.9(2) 2_656 . ?
O15 Gd1 O16A 66.3(3) . . ?
O15 Gd1 O16A 71.5(3) 2_656 . ?
O1 Gd1 O16A 120.0(2) . . ?
O16B Gd1 O16A 18.0(5) . . ?
O16B Gd1 O16A 136.3(6) 2_656 . ?
O3 Gd1 O16A 74.6(3) 2_656 2_656 ?
O3 Gd1 O16A 134.1(3) . 2_656 ?
O4 Gd1 O16A 66.9(2) . 2_656 ?
O4 Gd1 O16A 147.1(2) 2_656 2_656 ?
O15 Gd1 O16A 71.5(3) . 2_656 ?
O15 Gd1 O16A 66.3(3) 2_656 2_656 ?
O1 Gd1 O16A 120.0(2) . 2_656 ?
O16B Gd1 O16A 136.3(6) . 2_656 ?
O16B Gd1 O16A 18.0(5) 2_656 2_656 ?
O16A Gd1 O16A 120.1(4) . 2_656 ?
O3 Gd1 O17 115.45(17) 2_656 . ?
O3 Gd1 O17 115.45(17) . . ?
O4 Gd1 O17 116.64(14) . . ?
O4 Gd1 O17 116.64(14) 2_656 . ?
O15 Gd1 O17 43.93(19) . . ?
O15 Gd1 O17 43.93(19) 2_656 . ?
O1 Gd1 O17 180.000(5) . . ?
O16B Gd1 O17 76.8(5) . . ?
O16B Gd1 O17 76.8(5) 2_656 . ?
O16A Gd1 O17 60.0(2) . . ?
O16A Gd1 O17 60.0(2) 2_656 . ?
O2 Gd4 O7 83.5(2) . . ?
O2 Gd4 O3 129.5(2) . . ?
O7 Gd4 O3 80.7(3) . . ?
O2 Gd4 O4 77.1(2) . 2_656 ?
O7 Gd4 O4 130.1(2) . 2_656 ?
O3 Gd4 O4 77.4(2) . 2_656 ?
O2 Gd4 O1 65.8(2) . . ?
O7 Gd4 O1 66.8(2) . . ?
O3 Gd4 O1 63.9(2) . . ?
O4 Gd4 O1 63.3(2) 2_656 . ?
O2 Gd4 O9 76.5(2) . . ?
O7 Gd4 O9 74.9(2) . . ?
O3 Gd4 O9 141.9(2) . . ?
O4 Gd4 O9 140.5(2) 2_656 . ?
O1 Gd4 O9 128.1(2) . . ?
O2 Gd4 O10 132.4(2) . 7_556 ?
O7 Gd4 O10 138.5(2) . 7_556 ?
O3 Gd4 O10 87.0(2) . 7_556 ?
O4 Gd4 O10 84.4(2) 2_656 7_556 ?
O1 Gd4 O10 139.6(2) . 7_556 ?
O9 Gd4 O10 92.2(2) . 7_556 ?
O2 Gd4 O11 78.2(2) . . ?
O7 Gd4 O11 148.2(2) . . ?
O3 Gd4 O11 130.8(2) . . ?
O4 Gd4 O11 70.6(2) 2_656 . ?
O1 Gd4 O11 125.96(17) . . ?
O9 Gd4 O11 75.6(2) . . ?
O10 Gd4 O11 54.3(2) 7_556 . ?
O2 Gd4 O10 145.3(2) . . ?
O7 Gd4 O10 73.2(2) . . ?
O3 Gd4 O10 72.3(2) . . ?
O4 Gd4 O10 137.60(19) 2_656 . ?
O1 Gd4 O10 123.85(15) . . ?
O9 Gd4 O10 72.8(2) . . ?
O10 Gd4 O10 65.3(2) 7_556 . ?
O11 Gd4 O10 108.9(2) . . ?
O2 Gd4 Cl2 105.02(15) . . ?
O7 Gd4 Cl2 157.50(16) . . ?
O3 Gd4 Cl2 107.68(18) . . ?
O4 Gd4 Cl2 72.41(17) 2_656 . ?
O1 Gd4 Cl2 135.72(14) . . ?
O9 Gd4 Cl2 86.70(15) . . ?
O10 Gd4 Cl2 27.45(16) 7_556 . ?
O11 Gd4 Cl2 27.29(15) . . ?
O10 Gd4 Cl2 89.19(15) . . ?
O2 Gd4 Gd2 42.34(14) . . ?
O7 Gd4 Gd2 42.59(17) . . ?
O3 Gd4 Gd2 101.94(18) . . ?
O4 Gd4 Gd2 100.00(15) 2_656 . ?
O1 Gd4 Gd2 48.85(19) . . ?
O9 Gd4 Gd2 79.22(15) . . ?
O10 Gd4 Gd2 170.73(15) 7_556 . ?
O11 Gd4 Gd2 119.32(15) . . ?
O10 Gd4 Gd2 114.66(13) . . ?
Cl2 Gd4 Gd2 146.60(5) . . ?
O2 Gd4 Gd3 101.88(14) . . ?
O7 Gd4 Gd3 40.82(16) . . ?
O3 Gd4 Gd3 41.85(17) . . ?
O4 Gd4 Gd3 99.36(16) 2_656 . ?
O1 Gd4 Gd3 46.960(12) . . ?
O9 Gd4 Gd3 114.50(15) . . ?
O10 Gd4 Gd3 124.40(15) 7_556 . ?
O11 Gd4 Gd3 169.74(16) . . ?
O10 Gd4 Gd3 77.01(15) . . ?
Cl2 Gd4 Gd3 149.05(4) . . ?
Gd2 Gd4 Gd3 63.253(12) . . ?
O4 Gd3 O7 126.1(2) . . ?
O4 Gd3 O2 77.7(2) . 2_656 ?
O7 Gd3 O2 75.0(2) . 2_656 ?
O4 Gd3 O3 78.9(2) . . ?
O7 Gd3 O3 79.9(3) . . ?
O2 Gd3 O3 124.7(2) 2_656 . ?
O4 Gd3 O8 145.1(2) . 5_666 ?
O7 Gd3 O8 78.0(2) . 5_666 ?
O2 Gd3 O8 86.8(2) 2_656 5_666 ?
O3 Gd3 O8 134.4(2) . 5_666 ?
O4 Gd3 O13 133.9(2) . 7_556 ?
O7 Gd3 O13 78.4(2) . 7_556 ?
O2 Gd3 O13 147.6(2) 2_656 7_556 ?
O3 Gd3 O13 67.0(2) . 7_556 ?
O8 Gd3 O13 69.8(2) 5_666 7_556 ?
O4 Gd3 O12 74.1(2) . 3_545 ?
O7 Gd3 O12 145.4(2) . 3_545 ?
O2 Gd3 O12 139.7(2) 2_656 3_545 ?
O3 Gd3 O12 77.1(2) . 3_545 ?
O8 Gd3 O12 100.3(2) 5_666 3_545 ?
O13 Gd3 O12 68.9(2) 7_556 3_545 ?
O4 Gd3 O5 75.7(2) . . ?
O7 Gd3 O5 134.6(2) . . ?
O2 Gd3 O5 72.1(2) 2_656 . ?
O3 Gd3 O5 145.2(2) . . ?
O8 Gd3 O5 69.8(2) 5_666 . ?
O13 Gd3 O5 117.0(2) 7_556 . ?
O12 Gd3 O5 73.3(2) 3_545 . ?
O4 Gd3 O1 61.9(2) . . ?
O7 Gd3 O1 64.3(2) . . ?
O2 Gd3 O1 63.26(19) 2_656 . ?
O3 Gd3 O1 61.5(2) . . ?
O8 Gd3 O1 136.2(2) 5_666 . ?
O13 Gd3 O1 119.84(16) 7_556 . ?
O12 Gd3 O1 123.3(2) 3_545 . ?
O5 Gd3 O1 122.88(18) . . ?
O4 Gd3 Gd4 97.60(16) . . ?
O7 Gd3 Gd4 40.52(16) . . ?
O2 Gd3 Gd4 94.01(14) 2_656 . ?
O3 Gd3 Gd4 41.32(17) . . ?
O8 Gd3 Gd4 114.70(15) 5_666 . ?
O13 Gd3 Gd4 76.97(15) 7_556 . ?
O12 Gd3 Gd4 117.66(16) 3_545 . ?
O5 Gd3 Gd4 165.49(17) . . ?
O1 Gd3 Gd4 43.869(16) . . ?
O4 Gd3 Gd1 40.93(16) . . ?
O7 Gd3 Gd1 98.24(16) . . ?
O2 Gd3 Gd1 97.00(14) 2_656 . ?
O3 Gd3 Gd1 39.56(17) . . ?
O8 Gd3 Gd1 173.86(15) 5_666 . ?
O13 Gd3 Gd1 104.84(17) 7_556 . ?
O12 Gd3 Gd1 79.95(16) 3_545 . ?
O5 Gd3 Gd1 115.90(17) . . ?
O1 Gd3 Gd1 43.42(18) . . ?
Gd4 Gd3 Gd1 60.345(12) . . ?
O4 Gd3 Gd4 40.65(15) . 2_656 ?
O7 Gd3 Gd4 94.03(16) . 2_656 ?
O2 Gd3 Gd4 39.53(15) 2_656 2_656 ?
O3 Gd3 Gd4 95.93(18) . 2_656 ?
O8 Gd3 Gd4 124.89(16) 5_666 2_656 ?
O13 Gd3 Gd4 162.16(16) 7_556 2_656 ?
O12 Gd3 Gd4 113.76(15) 3_545 2_656 ?
O5 Gd3 Gd4 79.79(18) . 2_656 ?
O1 Gd3 Gd4 43.093(16) . 2_656 ?
Gd4 Gd3 Gd4 86.762(16) . 2_656 ?
Gd1 Gd3 Gd4 59.873(12) . 2_656 ?

_diffrn_measured_fraction_theta_max 0.963
_diffrn_reflns_theta_full        25.00
_diffrn_measured_fraction_theta_full 0.963
_refine_diff_density_max         1.819
_refine_diff_density_min         -0.573
_refine_diff_density_rms         0.187
_database_code_depnum_ccdc_archive 'CCDC 931774'
#######################################################################
#
#                 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_global

# Attachment 'data2-931775.cif'


data_2
#TrackingRef 'data2-931775.cif'


_audit_creation_method           SHELXL-97
_chemical_name_systematic        
;
?
;
_chemical_name_common            ?
_chemical_melting_point          ?
_chemical_formula_moiety         ?
_chemical_formula_sum            'Cl4 Dy6 H24 O35'
_chemical_formula_weight         1700.99

loop_
_atom_type_symbol
_atom_type_description
_atom_type_scat_dispersion_real
_atom_type_scat_dispersion_imag
_atom_type_scat_source
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'
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'

_symmetry_cell_setting           monoclinic
_symmetry_space_group_name_H-M   C2/c

loop_
_symmetry_equiv_pos_as_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                   12.2429(6)
_cell_length_b                   13.2583(5)
_cell_length_c                   14.6293(7)
_cell_angle_alpha                90.00
_cell_angle_beta                 100.697(5)
_cell_angle_gamma                90.00
_cell_volume                     2333.38(19)
_cell_formula_units_Z            4
_cell_measurement_temperature    122(2)
_cell_measurement_reflns_used    1866
_cell_measurement_theta_min      2.5135
_cell_measurement_theta_max      29.1521

_exptl_crystal_description       rhomb
_exptl_crystal_colour            colorless
_exptl_crystal_size_max          0.22
_exptl_crystal_size_mid          0.20
_exptl_crystal_size_min          0.19
_exptl_crystal_density_meas      ?
_exptl_crystal_density_diffrn    4.842
_exptl_crystal_density_method    'not measured'
_exptl_crystal_F_000             3072
_exptl_absorpt_coefficient_mu    19.588
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_correction_T_min  0.0988
_exptl_absorpt_correction_T_max  0.1184
_exptl_absorpt_process_details   
;
CrysAlisPro, Oxford Diffraction Ltd.,
Version 1.171.34.44 (release 25-10-2010 CrysAlis171 .NET)
(compiled Oct 25 2010,18:11:34)
Analytical numeric absorption correction using a multifaceted crystal
model based on expressions derived by R.C. Clark & J.S. Reid.
(Clark, R. C. & Reid, J. S. (1995). Acta Cryst. A51, 887-897)
;

_exptl_special_details           
;
?
;

_diffrn_ambient_temperature      122(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  'SuperNova, Single source at offset), Eos'
_diffrn_measurement_method       '\w scans'
_diffrn_detector_area_resol_mean 16.2116
_diffrn_standards_number         ?
_diffrn_standards_interval_count ?
_diffrn_standards_interval_time  ?
_diffrn_standards_decay_%        ?
_diffrn_reflns_number            3864
_diffrn_reflns_av_R_equivalents  0.0470
_diffrn_reflns_av_sigmaI/netI    0.0603
_diffrn_reflns_limit_h_min       -14
_diffrn_reflns_limit_h_max       13
_diffrn_reflns_limit_k_min       -14
_diffrn_reflns_limit_k_max       15
_diffrn_reflns_limit_l_min       -17
_diffrn_reflns_limit_l_max       11
_diffrn_reflns_theta_min         2.52
_diffrn_reflns_theta_max         25.00
_reflns_number_total             2045
_reflns_number_gt                1494
_reflns_threshold_expression     >2sigma(I)

_computing_data_collection       
;
CrysAlisPro, Oxford Diffraction Ltd.,
Version 1.171.34.44 (release 25-10-2010 CrysAlis171 .NET)
(compiled Oct 25 2010,18:11:34)
;
_computing_cell_refinement       
;
CrysAlisPro, Oxford Diffraction Ltd.,
Version 1.171.34.44 (release 25-10-2010 CrysAlis171 .NET)
(compiled Oct 25 2010,18:11:34)
;
_computing_data_reduction        
;
CrysAlisPro, Oxford Diffraction Ltd.,
Version 1.171.34.44 (release 25-10-2010 CrysAlis171 .NET)
(compiled Oct 25 2010,18:11:34)
;
_computing_structure_solution    'SHELXS-97 (Sheldrick, 1990)'
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 1997)'
_computing_molecular_graphics    'Bruker SHELXTL'
_computing_publication_material  'Bruker SHELXTL'

_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.
DFIX 1.35 0.01 H2a H2b
DFIX 0.85 0.01 O2 H2a O2 H2b
DFIX 0.85 O19 H19
DFIX 1.35 0.01 H22a H22b
DFIX 0.85 0.01 O22 H22a O22 H22b
DFIX 0.85 O14 H14
DFIX 2.8 Dy2 H19
DFIX 0.85 O9 H9
DFIX 2.6 H9 Dy3
DFIX 2.7 Dy1 H2a
DFIX 2.8 Dy4 H14
DFIX 0.85 H13 O13
;

_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^)+(0.0474P)^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    Constrained
_refine_ls_extinction_method     none
_refine_ls_extinction_coef       ?
_refine_ls_number_reflns         2045
_refine_ls_number_parameters     206
_refine_ls_number_restraints     14
_refine_ls_R_factor_all          0.0630
_refine_ls_R_factor_gt           0.0418
_refine_ls_wR_factor_ref         0.1173
_refine_ls_wR_factor_gt          0.0944
_refine_ls_goodness_of_fit_ref   1.062
_refine_ls_restrained_S_all      1.164
_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
O6 O -0.0142(10) 0.2717(8) 0.5454(8) 0.043(3) Uani 1 1 d . . .
Dy3 Dy -0.11106(7) 0.29915(6) 0.38360(6) 0.0423(3) Uani 1 1 d D . .
Dy4 Dy 0.17271(7) 0.30956(6) 0.36576(6) 0.0426(3) Uani 1 1 d D . .
O2 O 0.1662(14) 0.0204(13) 0.3380(11) 0.074(4) Uani 1 1 d D . .
H2A H 0.176(10) 0.064(7) 0.382(7) 0.089 Uiso 1 1 d D . .
H2B H 0.139(19) -0.031(10) 0.361(12) 0.089 Uiso 1 1 d D . .
O3 O 0.0000 0.3009(11) 0.2500 0.043(4) Uani 1 2 d S . .
O4 O 0.3215(10) 0.6429(9) 0.4515(9) 0.052(3) Uani 1 1 d . . .
O12 O 0.1675(11) 0.5728(8) 0.5145(8) 0.047(3) Uani 1 1 d . . .
Cl10 Cl 0.2286(4) 0.5691(3) 0.4364(3) 0.0487(11) Uani 1 1 d . . .
O9 O 0.0448(11) 0.1888(8) 0.3950(8) 0.046(3) Uani 1 1 d D . .
O8 O 0.1816(10) 0.3041(8) 0.5454(8) 0.043(3) Uani 1 1 d . . .
Cl1 Cl 0.0917(4) 0.2963(3) 0.6035(3) 0.0472(10) Uani 1 1 d . . .
O13 O -0.1718(11) 0.1916(8) 0.2586(8) 0.043(3) Uani 1 1 d D . .
O5 O 0.1283(10) 0.2097(8) 0.6678(8) 0.043(3) Uani 1 1 d . . .
O7 O 0.1532(10) 0.5900(8) 0.3483(8) 0.044(3) Uani 1 1 d . . .
Dy1 Dy 0.0000 0.11504(8) 0.2500 0.0430(3) Uani 1 2 d SD . .
Dy2 Dy 0.0000 0.49592(8) 0.2500 0.0414(3) Uani 1 2 d SD . .
O10 O 0.2745(11) 0.4646(9) 0.4340(8) 0.049(3) Uani 1 1 d . . .
O14 O 0.0361(10) 0.4169(9) 0.3977(8) 0.046(3) Uani 1 1 d D . .
O22 O -0.3201(10) 0.3141(8) 0.3575(8) 0.046(3) Uani 1 1 d D . .
H22B H -0.3654 0.3087 0.3059 0.056 Uiso 1 1 d RD . .
H22A H -0.3486 0.2640 0.3741 0.056 Uiso 1 1 d RD . .
O19 O -0.1681(10) 0.4141(8) 0.2620(8) 0.043(3) Uani 1 1 d D . .
O15 O -0.0879(10) 0.6105(9) 0.3428(8) 0.045(3) Uani 1 1 d . . .
H19 H -0.223(3) 0.455(4) 0.255(13) 0.054 Uiso 1 1 d D . .
H14 H 0.043(9) 0.439(11) 0.453(4) 0.054 Uiso 1 1 d D . .
H9 H 0.037(9) 0.163(10) 0.446(7) 0.054 Uiso 1 1 d D . .
O1 O 0.0455(14) -0.0162(10) 0.1499(11) 0.073(5) Uani 1 1 d . . .
H1 H 0.0840 -0.0429 0.1982 0.088 Uiso 1 1 d R . .
H1A H 0.0893 -0.0120 0.1112 0.088 Uiso 1 1 d R . .
H13 H -0.237(16) 0.17(4) 0.24(3) 0.3(3) Uiso 1 1 d 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
O6 0.040(7) 0.042(6) 0.047(6) -0.005(5) 0.008(5) -0.003(5)
Dy3 0.0438(5) 0.0389(4) 0.0447(5) 0.0007(4) 0.0096(4) -0.0003(4)
Dy4 0.0451(5) 0.0383(4) 0.0453(5) 0.0004(3) 0.0103(4) 0.0004(4)
O2 0.069(11) 0.077(10) 0.081(10) 0.007(9) 0.021(9) 0.006(9)
O3 0.040(10) 0.046(9) 0.040(8) 0.000 0.004(7) 0.000
O4 0.039(7) 0.056(7) 0.062(8) 0.007(6) 0.012(6) -0.005(6)
O12 0.052(8) 0.039(6) 0.053(7) -0.010(5) 0.015(6) -0.001(6)
Cl10 0.053(3) 0.042(2) 0.051(2) -0.0015(19) 0.012(2) -0.003(2)
O9 0.055(8) 0.035(6) 0.051(7) 0.001(5) 0.020(6) 0.003(6)
O8 0.037(7) 0.045(6) 0.047(6) 0.002(5) 0.012(5) 0.001(5)
Cl1 0.051(3) 0.044(2) 0.048(2) 0.0014(18) 0.010(2) 0.001(2)
O13 0.046(7) 0.040(6) 0.041(6) 0.009(5) 0.002(5) 0.001(6)
O5 0.046(7) 0.037(6) 0.042(6) -0.002(5) -0.002(5) -0.004(5)
O7 0.049(8) 0.036(6) 0.051(7) 0.004(5) 0.016(6) -0.002(5)
Dy1 0.0457(7) 0.0386(6) 0.0450(6) 0.000 0.0092(5) 0.000
Dy2 0.0442(7) 0.0373(6) 0.0433(6) 0.000 0.0099(5) 0.000
O10 0.054(8) 0.045(6) 0.047(7) -0.001(5) 0.007(6) 0.001(6)
O14 0.047(7) 0.047(7) 0.046(6) -0.010(6) 0.011(6) -0.007(6)
O22 0.041(7) 0.042(6) 0.056(7) 0.006(6) 0.007(6) -0.003(6)
O19 0.043(7) 0.039(6) 0.045(6) 0.000(5) 0.001(6) -0.001(5)
O15 0.032(7) 0.047(6) 0.054(7) -0.007(6) 0.005(6) 0.001(6)
O1 0.091(12) 0.051(8) 0.092(11) 0.002(8) 0.055(10) 0.004(8)

_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
O6 Cl1 1.449(12) . ?
O6 Dy3 2.469(12) . ?
Dy3 O13 2.329(12) . ?
Dy3 O19 2.348(11) . ?
Dy3 O14 2.363(12) . ?
Dy3 O9 2.386(12) . ?
Dy3 O12 2.443(11) 5_566 ?
Dy3 O4 2.503(12) 3_445 ?
Dy3 O22 2.525(12) . ?
Dy3 O3 2.5799(9) . ?
Dy3 Dy4 3.5347(13) . ?
Dy3 Dy1 3.5517(11) . ?
Dy3 Dy4 3.5880(12) 2 ?
Dy4 O14 2.309(12) . ?
Dy4 O19 2.320(12) 2 ?
Dy4 O9 2.334(12) . ?
Dy4 O13 2.398(11) 2 ?
Dy4 O3 2.4541(11) . ?
Dy4 O8 2.506(11) 7_556 ?
Dy4 O10 2.513(12) . ?
Dy4 O5 2.586(13) 7_556 ?
Dy4 O8 2.611(11) . ?
Dy4 Cl1 3.164(5) 7_556 ?
Dy4 Dy2 3.4806(11) . ?
O2 Dy1 2.530(17) . ?
O3 Dy4 2.4541(11) 2 ?
O3 Dy1 2.465(15) . ?
O3 Dy3 2.5799(9) 2 ?
O3 Dy2 2.585(15) . ?
O4 Cl10 1.484(13) . ?
O4 Dy3 2.503(12) 3 ?
O12 Cl10 1.478(13) . ?
O12 Dy3 2.443(11) 5_566 ?
Cl10 O7 1.466(13) . ?
Cl10 O10 1.498(12) . ?
O9 Dy1 2.307(12) . ?
O8 Cl1 1.515(12) . ?
O8 Dy4 2.506(11) 7_556 ?
Cl1 O15 1.469(12) 5_566 ?
Cl1 O5 1.499(12) . ?
Cl1 Dy4 3.164(5) 7_556 ?
O13 Dy1 2.359(13) . ?
O13 Dy4 2.398(11) 2 ?
O5 Dy4 2.586(13) 7_556 ?
O7 Dy2 2.478(12) . ?
Dy1 O9 2.307(12) 2 ?
Dy1 O13 2.359(13) 2 ?
Dy1 O1 2.406(13) . ?
Dy1 O1 2.406(13) 2 ?
Dy1 O2 2.530(17) 2 ?
Dy1 Dy3 3.5517(11) 2 ?
Dy2 O19 2.361(12) . ?
Dy2 O19 2.361(12) 2 ?
Dy2 O14 2.369(12) 2 ?
Dy2 O14 2.369(12) . ?
Dy2 O15 2.419(12) 2 ?
Dy2 O15 2.419(12) . ?
Dy2 O7 2.478(12) 2 ?
Dy2 Dy4 3.4806(11) 2 ?
O19 Dy4 2.320(12) 2 ?
O15 Cl1 1.469(12) 5_566 ?

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
Cl1 O6 Dy3 138.4(7) . . ?
O13 Dy3 O19 78.2(4) . . ?
O13 Dy3 O14 126.9(4) . . ?
O19 Dy3 O14 75.6(4) . . ?
O13 Dy3 O9 79.3(4) . . ?
O19 Dy3 O9 124.9(4) . . ?
O14 Dy3 O9 79.2(4) . . ?
O13 Dy3 O12 145.0(4) . 5_566 ?
O19 Dy3 O12 86.2(4) . 5_566 ?
O14 Dy3 O12 77.6(4) . 5_566 ?
O9 Dy3 O12 134.2(4) . 5_566 ?
O13 Dy3 O6 133.5(4) . . ?
O19 Dy3 O6 147.6(4) . . ?
O14 Dy3 O6 77.9(4) . . ?
O9 Dy3 O6 66.9(4) . . ?
O12 Dy3 O6 70.0(4) 5_566 . ?
O13 Dy3 O4 74.0(4) . 3_445 ?
O19 Dy3 O4 139.8(4) . 3_445 ?
O14 Dy3 O4 144.5(4) . 3_445 ?
O9 Dy3 O4 77.5(4) . 3_445 ?
O12 Dy3 O4 100.5(4) 5_566 3_445 ?
O6 Dy3 O4 68.5(4) . 3_445 ?
O13 Dy3 O22 76.3(4) . . ?
O19 Dy3 O22 71.6(4) . . ?
O14 Dy3 O22 134.1(4) . . ?
O9 Dy3 O22 146.5(4) . . ?
O12 Dy3 O22 69.2(4) 5_566 . ?
O6 Dy3 O22 116.7(4) . . ?
O4 Dy3 O22 74.0(4) 3_445 . ?
O13 Dy3 O3 63.1(4) . . ?
O19 Dy3 O3 62.9(4) . . ?
O14 Dy3 O3 63.9(4) . . ?
O9 Dy3 O3 62.1(4) . . ?
O12 Dy3 O3 134.8(4) 5_566 . ?
O6 Dy3 O3 120.0(3) . . ?
O4 Dy3 O3 124.6(4) 3_445 . ?
O22 Dy3 O3 123.1(3) . . ?
O13 Dy3 Dy4 98.1(3) . . ?
O19 Dy3 Dy4 94.4(3) . . ?
O14 Dy3 Dy4 40.3(3) . . ?
O9 Dy3 Dy4 41.0(3) . . ?
O12 Dy3 Dy4 114.3(3) 5_566 . ?
O6 Dy3 Dy4 76.9(3) . . ?
O4 Dy3 Dy4 117.6(3) 3_445 . ?
O22 Dy3 Dy4 165.6(3) . . ?
O3 Dy3 Dy4 43.96(2) . . ?
O13 Dy3 Dy1 41.1(3) . . ?
O19 Dy3 Dy1 96.9(3) . . ?
O14 Dy3 Dy1 98.0(3) . . ?
O9 Dy3 Dy1 40.0(3) . . ?
O12 Dy3 Dy1 173.9(3) 5_566 . ?
O6 Dy3 Dy1 105.1(3) . . ?
O4 Dy3 Dy1 80.7(3) 3_445 . ?
O22 Dy3 Dy1 116.8(3) . . ?
O3 Dy3 Dy1 43.9(3) . . ?
Dy4 Dy3 Dy1 60.28(2) . . ?
O13 Dy3 Dy4 41.3(3) . 2 ?
O19 Dy3 Dy4 39.5(3) . 2 ?
O14 Dy3 Dy4 94.4(3) . 2 ?
O9 Dy3 Dy4 96.3(3) . 2 ?
O12 Dy3 Dy4 124.3(3) 5_566 2 ?
O6 Dy3 Dy4 162.4(3) . 2 ?
O4 Dy3 Dy4 114.4(3) 3_445 2 ?
O22 Dy3 Dy4 80.0(3) . 2 ?
O3 Dy3 Dy4 43.15(3) . 2 ?
Dy4 Dy3 Dy4 86.99(3) . 2 ?
Dy1 Dy3 Dy4 59.78(2) . 2 ?
O14 Dy4 O19 83.4(4) . 2 ?
O14 Dy4 O9 81.4(4) . . ?
O19 Dy4 O9 129.8(5) 2 . ?
O14 Dy4 O13 130.8(4) . 2 ?
O19 Dy4 O13 77.4(4) 2 2 ?
O9 Dy4 O13 77.4(4) . 2 ?
O14 Dy4 O3 66.7(4) . . ?
O19 Dy4 O3 65.3(4) 2 . ?
O9 Dy4 O3 64.7(4) . . ?
O13 Dy4 O3 64.1(4) 2 . ?
O14 Dy4 O8 137.6(4) . 7_556 ?
O19 Dy4 O8 133.3(4) 2 7_556 ?
O9 Dy4 O8 86.0(4) . 7_556 ?
O13 Dy4 O8 84.5(4) 2 7_556 ?
O3 Dy4 O8 140.3(4) . 7_556 ?
O14 Dy4 O10 74.9(4) . . ?
O19 Dy4 O10 76.6(4) 2 . ?
O9 Dy4 O10 142.1(4) . . ?
O13 Dy4 O10 140.1(4) 2 . ?
O3 Dy4 O10 127.8(5) . . ?
O8 Dy4 O10 91.9(4) 7_556 . ?
O14 Dy4 O5 147.4(4) . 7_556 ?
O19 Dy4 O5 77.8(4) 2 7_556 ?
O9 Dy4 O5 130.9(4) . 7_556 ?
O13 Dy4 O5 70.3(4) 2 7_556 ?
O3 Dy4 O5 125.9(3) . 7_556 ?
O8 Dy4 O5 55.5(3) 7_556 7_556 ?
O10 Dy4 O5 75.0(4) . 7_556 ?
O14 Dy4 O8 73.1(4) . . ?
O19 Dy4 O8 144.9(4) 2 . ?
O9 Dy4 O8 72.6(4) . . ?
O13 Dy4 O8 137.7(4) 2 . ?
O3 Dy4 O8 124.3(3) . . ?
O8 Dy4 O8 64.4(4) 7_556 . ?
O10 Dy4 O8 72.4(4) . . ?
O5 Dy4 O8 108.9(4) 7_556 . ?
O14 Dy4 Cl1 156.9(3) . 7_556 ?
O19 Dy4 Cl1 105.4(3) 2 7_556 ?
O9 Dy4 Cl1 107.1(3) . 7_556 ?
O13 Dy4 Cl1 72.2(3) 2 7_556 ?
O3 Dy4 Cl1 136.3(3) . 7_556 ?
O8 Dy4 Cl1 28.0(3) 7_556 7_556 ?
O10 Dy4 Cl1 86.2(3) . 7_556 ?
O5 Dy4 Cl1 28.0(3) 7_556 7_556 ?
O8 Dy4 Cl1 88.7(3) . 7_556 ?
O14 Dy4 Dy2 42.6(3) . . ?
O19 Dy4 Dy2 42.4(3) 2 . ?
O9 Dy4 Dy2 102.0(3) . . ?
O13 Dy4 Dy2 100.2(3) 2 . ?
O3 Dy4 Dy2 47.9(4) . . ?
O8 Dy4 Dy2 171.4(3) 7_556 . ?
O10 Dy4 Dy2 79.9(3) . . ?
O5 Dy4 Dy2 119.1(2) 7_556 . ?
O8 Dy4 Dy2 114.7(2) . . ?
Cl1 Dy4 Dy2 147.09(8) 7_556 . ?
O14 Dy4 Dy3 41.4(3) . . ?
O19 Dy4 Dy3 101.9(3) 2 . ?
O9 Dy4 Dy3 42.1(3) . . ?
O13 Dy4 Dy3 99.5(3) 2 . ?
O3 Dy4 Dy3 46.87(2) . . ?
O8 Dy4 Dy3 123.6(3) 7_556 . ?
O10 Dy4 Dy3 115.1(3) . . ?
O5 Dy4 Dy3 169.7(2) 7_556 . ?
O8 Dy4 Dy3 77.4(3) . . ?
Cl1 Dy4 Dy3 148.75(8) 7_556 . ?
Dy2 Dy4 Dy3 63.06(2) . . ?
Dy4 O3 Dy4 174.7(7) . 2 ?
Dy4 O3 Dy1 92.7(4) . . ?
Dy4 O3 Dy1 92.7(4) 2 . ?
Dy4 O3 Dy3 89.16(3) . . ?
Dy4 O3 Dy3 90.88(3) 2 . ?
Dy1 O3 Dy3 89.5(3) . . ?
Dy4 O3 Dy3 90.88(3) . 2 ?
Dy4 O3 Dy3 89.16(3) 2 2 ?
Dy1 O3 Dy3 89.5(3) . 2 ?
Dy3 O3 Dy3 178.9(7) . 2 ?
Dy4 O3 Dy2 87.3(4) . . ?
Dy4 O3 Dy2 87.3(4) 2 . ?
Dy1 O3 Dy2 180.0 . . ?
Dy3 O3 Dy2 90.5(3) . . ?
Dy3 O3 Dy2 90.5(3) 2 . ?
Cl10 O4 Dy3 141.8(8) . 3 ?
Cl10 O12 Dy3 137.4(7) . 5_566 ?
O7 Cl10 O12 110.3(8) . . ?
O7 Cl10 O4 110.3(7) . . ?
O12 Cl10 O4 110.3(7) . . ?
O7 Cl10 O10 109.4(7) . . ?
O12 Cl10 O10 107.1(7) . . ?
O4 Cl10 O10 109.4(8) . . ?
Dy1 O9 Dy4 100.1(4) . . ?
Dy1 O9 Dy3 98.4(5) . . ?
Dy4 O9 Dy3 97.0(4) . . ?
Cl1 O8 Dy4 100.9(5) . 7_556 ?
Cl1 O8 Dy4 131.9(7) . . ?
Dy4 O8 Dy4 115.6(4) 7_556 . ?
O6 Cl1 O15 112.9(7) . 5_566 ?
O6 Cl1 O5 109.1(7) . . ?
O15 Cl1 O5 110.1(7) 5_566 . ?
O6 Cl1 O8 110.5(7) . . ?
O15 Cl1 O8 109.9(7) 5_566 . ?
O5 Cl1 O8 103.9(7) . . ?
O6 Cl1 Dy4 132.5(5) . 7_556 ?
O15 Cl1 Dy4 114.6(5) 5_566 7_556 ?
O5 Cl1 Dy4 54.0(5) . 7_556 ?
O8 Cl1 Dy4 51.1(4) . 7_556 ?
Dy3 O13 Dy1 98.5(5) . . ?
Dy3 O13 Dy4 98.8(4) . 2 ?
Dy1 O13 Dy4 96.8(5) . 2 ?
Cl1 O5 Dy4 98.0(6) . 7_556 ?
Cl10 O7 Dy2 134.5(7) . . ?
O9 Dy1 O9 129.9(5) . 2 ?
O9 Dy1 O13 78.7(4) . 2 ?
O9 Dy1 O13 80.3(4) 2 2 ?
O9 Dy1 O13 80.3(4) . . ?
O9 Dy1 O13 78.7(4) 2 . ?
O13 Dy1 O13 129.0(6) 2 . ?
O9 Dy1 O1 145.5(5) . . ?
O9 Dy1 O1 77.8(5) 2 . ?
O13 Dy1 O1 88.2(5) 2 . ?
O13 Dy1 O1 130.8(5) . . ?
O9 Dy1 O1 77.8(5) . 2 ?
O9 Dy1 O1 145.5(5) 2 2 ?
O13 Dy1 O1 130.8(5) 2 2 ?
O13 Dy1 O1 88.2(5) . 2 ?
O1 Dy1 O1 87.3(7) . 2 ?
O9 Dy1 O3 64.9(3) . . ?
O9 Dy1 O3 64.9(3) 2 . ?
O13 Dy1 O3 64.5(3) 2 . ?
O13 Dy1 O3 64.5(3) . . ?
O1 Dy1 O3 136.3(3) . . ?
O1 Dy1 O3 136.3(3) 2 . ?
O9 Dy1 O2 135.2(5) . 2 ?
O9 Dy1 O2 73.2(5) 2 2 ?
O13 Dy1 O2 145.8(4) 2 2 ?
O13 Dy1 O2 66.4(5) . 2 ?
O1 Dy1 O2 65.6(5) . 2 ?
O1 Dy1 O2 72.3(6) 2 2 ?
O3 Dy1 O2 119.7(4) . 2 ?
O9 Dy1 O2 73.2(5) . . ?
O9 Dy1 O2 135.2(5) 2 . ?
O13 Dy1 O2 66.4(5) 2 . ?
O13 Dy1 O2 145.8(4) . . ?
O1 Dy1 O2 72.3(6) . . ?
O1 Dy1 O2 65.6(5) 2 . ?
O3 Dy1 O2 119.7(4) . . ?
O2 Dy1 O2 120.5(8) 2 . ?
O9 Dy1 Dy3 99.5(3) . 2 ?
O9 Dy1 Dy3 41.7(3) 2 2 ?
O13 Dy1 Dy3 40.4(3) 2 2 ?
O13 Dy1 Dy3 99.8(3) . 2 ?
O1 Dy1 Dy3 90.4(3) . 2 ?
O1 Dy1 Dy3 171.0(4) 2 2 ?
O3 Dy1 Dy3 46.583(18) . 2 ?
O2 Dy1 Dy3 114.5(4) 2 2 ?
O2 Dy1 Dy3 105.5(4) . 2 ?
O9 Dy1 Dy3 41.7(3) . . ?
O9 Dy1 Dy3 99.5(3) 2 . ?
O13 Dy1 Dy3 99.8(3) 2 . ?
O13 Dy1 Dy3 40.4(3) . . ?
O1 Dy1 Dy3 171.0(4) . . ?
O1 Dy1 Dy3 90.4(3) 2 . ?
O3 Dy1 Dy3 46.583(18) . . ?
O2 Dy1 Dy3 105.5(4) 2 . ?
O2 Dy1 Dy3 114.5(4) . . ?
Dy3 Dy1 Dy3 93.17(4) 2 . ?
O9 Dy1 Dy4 40.2(3) . . ?
O9 Dy1 Dy4 98.6(3) 2 . ?
O13 Dy1 Dy4 42.0(3) 2 . ?
O13 Dy1 Dy4 96.9(3) . . ?
O1 Dy1 Dy4 129.0(4) . . ?
O1 Dy1 Dy4 114.8(4) 2 . ?
O3 Dy1 Dy4 43.547(18) . . ?
O2 Dy1 Dy4 162.3(4) 2 . ?
O2 Dy1 Dy4 76.5(4) . . ?
Dy3 Dy1 Dy4 60.62(2) 2 . ?
Dy3 Dy1 Dy4 59.62(2) . . ?
O19 Dy2 O19 125.3(6) . 2 ?
O19 Dy2 O14 81.2(4) . 2 ?
O19 Dy2 O14 75.3(4) 2 2 ?
O19 Dy2 O14 75.3(4) . . ?
O19 Dy2 O14 81.2(4) 2 . ?
O14 Dy2 O14 127.5(6) 2 . ?
O19 Dy2 O15 144.6(4) . 2 ?
O19 Dy2 O15 76.2(4) 2 2 ?
O14 Dy2 O15 78.0(4) 2 2 ?
O14 Dy2 O15 139.7(4) . 2 ?
O19 Dy2 O15 76.2(4) . . ?
O19 Dy2 O15 144.6(4) 2 . ?
O14 Dy2 O15 139.7(4) 2 . ?
O14 Dy2 O15 78.0(4) . . ?
O15 Dy2 O15 102.2(6) 2 . ?
O19 Dy2 O7 139.8(4) . . ?
O19 Dy2 O7 72.4(4) 2 . ?
O14 Dy2 O7 138.2(4) 2 . ?
O14 Dy2 O7 72.6(4) . . ?
O15 Dy2 O7 69.0(4) 2 . ?
O15 Dy2 O7 74.1(4) . . ?
O19 Dy2 O7 72.4(4) . 2 ?
O19 Dy2 O7 139.8(4) 2 2 ?
O14 Dy2 O7 72.6(4) 2 2 ?
O14 Dy2 O7 138.2(4) . 2 ?
O15 Dy2 O7 74.1(4) 2 2 ?
O15 Dy2 O7 69.0(4) . 2 ?
O7 Dy2 O7 119.5(5) . 2 ?
O19 Dy2 O3 62.7(3) . . ?
O19 Dy2 O3 62.7(3) 2 . ?
O14 Dy2 O3 63.7(3) 2 . ?
O14 Dy2 O3 63.7(3) . . ?
O15 Dy2 O3 128.9(3) 2 . ?
O15 Dy2 O3 128.9(3) . . ?
O7 Dy2 O3 120.2(3) . . ?
O7 Dy2 O3 120.2(3) 2 . ?
O19 Dy2 Dy4 41.5(3) . 2 ?
O19 Dy2 Dy4 95.5(3) 2 2 ?
O14 Dy2 Dy4 41.3(3) 2 2 ?
O14 Dy2 Dy4 97.1(3) . 2 ?
O15 Dy2 Dy4 117.8(3) 2 2 ?
O15 Dy2 Dy4 115.2(3) . 2 ?
O7 Dy2 Dy4 165.0(3) . 2 ?
O7 Dy2 Dy4 75.5(3) 2 2 ?
O3 Dy2 Dy4 44.773(19) . 2 ?
O19 Dy2 Dy4 95.5(3) . . ?
O19 Dy2 Dy4 41.5(3) 2 . ?
O14 Dy2 Dy4 97.1(3) 2 . ?
O14 Dy2 Dy4 41.3(3) . . ?
O15 Dy2 Dy4 115.2(3) 2 . ?
O15 Dy2 Dy4 117.8(3) . . ?
O7 Dy2 Dy4 75.5(3) . . ?
O7 Dy2 Dy4 165.0(3) 2 . ?
O3 Dy2 Dy4 44.773(19) . . ?
Dy4 Dy2 Dy4 89.55(4) 2 . ?
O19 Dy2 Dy3 38.7(3) . . ?
O19 Dy2 Dy3 97.3(3) 2 . ?
O14 Dy2 Dy3 98.4(3) 2 . ?
O14 Dy2 Dy3 39.1(3) . . ?
O15 Dy2 Dy3 173.2(3) 2 . ?
O15 Dy2 Dy3 84.3(3) . . ?
O7 Dy2 Dy3 111.4(3) . . ?
O7 Dy2 Dy3 110.6(3) 2 . ?
O3 Dy2 Dy3 44.680(17) . . ?
Dy4 Dy2 Dy3 60.18(2) 2 . ?
Dy4 Dy2 Dy3 59.19(2) . . ?
Cl10 O10 Dy4 127.3(7) . . ?
Dy4 O14 Dy3 98.3(4) . . ?
Dy4 O14 Dy2 96.1(4) . . ?
Dy3 O14 Dy2 101.7(5) . . ?
Dy4 O19 Dy3 100.5(4) 2 . ?
Dy4 O19 Dy2 96.1(5) 2 . ?
Dy3 O19 Dy2 102.4(5) . . ?
Cl1 O15 Dy2 152.8(7) 5_566 . ?

_diffrn_measured_fraction_theta_max 0.990
_diffrn_reflns_theta_full        25.00
_diffrn_measured_fraction_theta_full 0.990
_refine_diff_density_max         1.812
_refine_diff_density_min         -1.099
_refine_diff_density_rms         0.288


_database_code_depnum_ccdc_archive 'CCDC 931775'