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

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#                 Cambridge Crystallographic Data Centre
#                                CCDC 
# 
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# 
#  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
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#  data retrieval see:
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#  from this site to visualise CIF-encoded structures and 
#  to carry out CIF format checking respectively.
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data_global
#==========================================================================

_audit_creation_method           SHELXL-97
_audit_creation_date             '9 November 2005'
_chemical_name_systematic        
;
 ?
;

_chemical_name_common            ?
_chemical_melting_point          ?
_chemical_formula_moiety         ?
_chemical_formula_sum            'C32 H56 Cr2 Dy2 N4 O20'
_chemical_formula_weight         1245.81

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'
N N 0.0061 0.0033 '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'
Cr Cr 0.3209 0.6236 '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           triclinic
_symmetry_space_group_name_H-M   P-1

loop_
_symmetry_equiv_pos_as_xyz
'x, y, z'
'-x, -y, -z'

_cell_length_a                   8.7421(3)
_cell_length_b                   12.1359(4)
_cell_length_c                   12.4233(4)
_cell_angle_alpha                115.5880(10)
_cell_angle_beta                 100.6700(10)
_cell_angle_gamma                101.5840(10)
_cell_volume                     1108.04(6)
_cell_formula_units_Z            1
_cell_measurement_temperature    123(2)
_cell_measurement_reflns_used    9643
_cell_measurement_theta_min      2.12
_cell_measurement_theta_max      27.45

_exptl_crystal_description       block
_exptl_crystal_colour            purple
_exptl_crystal_size_max          0.2
_exptl_crystal_size_mid          0.15
_exptl_crystal_size_min          0.1
_exptl_crystal_density_meas      ?
_exptl_crystal_density_diffrn    1.867
_exptl_crystal_density_method    'not measured'
_exptl_crystal_F_000             616
_exptl_absorpt_coefficient_mu    3.889
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_correction_T_min  0.502
_exptl_absorpt_correction_T_max  0.678
_exptl_absorpt_process_details   SADABS

_exptl_special_details           
; 
 ? 
;

_diffrn_ambient_temperature      123(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  'APEX X8'
_diffrn_measurement_method       'scans in phi and omega'
_diffrn_detector_area_resol_mean ?
_diffrn_standards_number         0
_diffrn_standards_interval_count 0
_diffrn_standards_interval_time  0
_diffrn_standards_decay_%        0
_diffrn_reflns_number            10683
_diffrn_reflns_av_R_equivalents  0.0179
_diffrn_reflns_av_sigmaI/netI    0.0292
_diffrn_reflns_limit_h_min       -11
_diffrn_reflns_limit_h_max       11
_diffrn_reflns_limit_k_min       -15
_diffrn_reflns_limit_k_max       15
_diffrn_reflns_limit_l_min       -16
_diffrn_reflns_limit_l_max       16
_diffrn_reflns_theta_min         3.15
_diffrn_reflns_theta_max         27.50
_reflns_number_total             5019
_reflns_number_gt                4651
_reflns_threshold_expression     >2sigma(I)

_computing_data_collection       'Bruker Apex2 V2.0'
_computing_cell_refinement       'Bruker Apex2 V2.0'
_computing_data_reduction        'Bruker Apex2 V2.0'
_computing_structure_solution    'SHELXS-97 (Sheldrick, 1990)'
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 1997)'
_computing_molecular_graphics    X-Seed
_computing_publication_material  CIFTAB

_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.
The asymmetric unit contained half of the molecule, which lies upon a
inversion centre. All the non-hydrogen atoms are refined anisotropically and all hydrogen atoms 
are placed in calculated positions. 
;

_refine_ls_structure_factor_coef Fsqd
_refine_ls_matrix_type           full
_refine_ls_weighting_scheme      calc
_refine_ls_weighting_details     
'calc w=1/[σ²(Fo²)+(0.0205P)²+0.3109P] where P=(Fo²+2Fc²)/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         5019
_refine_ls_number_parameters     277
_refine_ls_number_restraints     0
_refine_ls_R_factor_all          0.0233
_refine_ls_R_factor_gt           0.0202
_refine_ls_wR_factor_ref         0.0447
_refine_ls_wR_factor_gt          0.0434
_refine_ls_goodness_of_fit_ref   1.039
_refine_ls_restrained_S_all      1.039
_refine_ls_shift/su_max          0.001
_refine_ls_shift/su_mean         0.000

loop_
_atom_site_label
_atom_site_type_symbol
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_U_iso_or_equiv
_atom_site_adp_type
_atom_site_occupancy
_atom_site_symmetry_multiplicity
_atom_site_calc_flag
_atom_site_refinement_flags
_atom_site_disorder_assembly
_atom_site_disorder_group
Dy1 Dy 0.375978(13) 0.009002(10) 0.344924(10) 0.01604(4) Uani 1 1 d . . .
Cr1 Cr 0.32495(4) -0.24774(3) 0.38940(4) 0.01475(8) Uani 1 1 d . . .
O1 O 0.52131(18) -0.11456(15) 0.41544(15) 0.0161(3) Uani 1 1 d . . .
N1 N 0.1029(2) -0.34853(19) 0.3943(2) 0.0200(4) Uani 1 1 d . . .
C1 C 0.2547(3) -0.2013(3) 0.6174(3) 0.0273(6) Uani 1 1 d . . .
H8A H 0.1891 -0.1437 0.6358 0.033 Uiso 1 1 calc R . .
H8B H 0.3067 -0.1993 0.6947 0.033 Uiso 1 1 calc R . .
O2 O 0.37581(19) -0.16048(15) 0.56958(15) 0.0186(4) Uani 1 1 d . . .
N2 N 0.2394(3) 0.2070(2) 0.3437(2) 0.0270(5) Uani 1 1 d . . .
C2 C 0.1461(3) -0.3369(3) 0.5214(3) 0.0264(6) Uani 1 1 d . . .
H12A H 0.2029 -0.3977 0.5216 0.032 Uiso 1 1 calc R . .
H12B H 0.0467 -0.3570 0.5428 0.032 Uiso 1 1 calc R . .
O3 O 0.20338(18) -0.13609(15) 0.37211(16) 0.0179(3) Uani 1 1 d . . .
C3 C -0.0157(3) -0.2782(3) 0.3818(3) 0.0268(6) Uani 1 1 d . . .
H14A H -0.0162 -0.2179 0.4643 0.032 Uiso 1 1 calc R . .
H14B H -0.1255 -0.3390 0.3355 0.032 Uiso 1 1 calc R . .
O4 O 0.44019(19) -0.36872(15) 0.40018(16) 0.0196(4) Uani 1 1 d . . .
C4 C 0.0336(3) -0.2065(2) 0.3136(3) 0.0242(6) Uani 1 1 d . . .
H6A H 0.0135 -0.2668 0.2260 0.029 Uiso 1 1 calc R . .
H6B H -0.0296 -0.1484 0.3184 0.029 Uiso 1 1 calc R . .
O5 O 0.2702(2) -0.34198(16) 0.20546(15) 0.0204(4) Uani 1 1 d . . .
C5 C 0.0355(3) -0.4853(2) 0.2976(3) 0.0262(6) Uani 1 1 d . . .
H11A H 0.1143 -0.5282 0.3058 0.039 Uiso 1 1 calc R . .
H11B H 0.0115 -0.4920 0.2160 0.039 Uiso 1 1 calc R . .
H11C H -0.0634 -0.5248 0.3079 0.039 Uiso 1 1 calc R . .
O6 O 0.1522(2) -0.09086(18) 0.16660(18) 0.0310(4) Uani 1 1 d . . .
C6 C 0.5716(3) -0.5269(2) 0.3512(3) 0.0284(6) Uani 1 1 d . . .
H10A H 0.6624 -0.4661 0.4247 0.043 Uiso 1 1 calc R . .
H10B H 0.6123 -0.5737 0.2844 0.043 Uiso 1 1 calc R . .
H10C H 0.5053 -0.5859 0.3694 0.043 Uiso 1 1 calc R . .
O7 O 0.4749(2) -0.06618(17) 0.18183(17) 0.0281(4) Uani 1 1 d . . .
C7 C 0.4705(3) -0.4569(2) 0.3127(2) 0.0202(5) Uani 1 1 d . . .
O8 O 0.3374(2) 0.17659(17) 0.28184(18) 0.0277(4) Uani 1 1 d . . .
C8 C 0.4151(3) -0.4908(2) 0.1862(3) 0.0263(6) Uani 1 1 d . . .
H13 H 0.4455 -0.5559 0.1293 0.032 Uiso 1 1 calc R . .
O9 O 0.2070(2) 0.14632(19) 0.40319(18) 0.0301(4) Uani 1 1 d . . .
C9 C 0.3177(3) -0.4341(2) 0.1396(2) 0.0227(5) Uani 1 1 d . . .
O10 O 0.1783(3) 0.2900(2) 0.3481(2) 0.0429(5) Uani 1 1 d . . .
C10 C 0.2565(4) -0.4840(3) 0.0009(3) 0.0366(7) Uani 1 1 d . . .
H16A H 0.1418 -0.5320 -0.0303 0.055 Uiso 1 1 calc R . .
H16B H 0.3161 -0.5391 -0.0401 0.055 Uiso 1 1 calc R . .
H16C H 0.2724 -0.4130 -0.0157 0.055 Uiso 1 1 calc R . .
C11 C -0.0442(4) -0.1856(4) -0.0312(3) 0.0599(11) Uani 1 1 d . . .
H19A H -0.1118 -0.2498 -0.0196 0.090 Uiso 1 1 calc R . .
H19B H -0.0472 -0.2213 -0.1175 0.090 Uiso 1 1 calc R . .
H19C H -0.0844 -0.1132 -0.0086 0.090 Uiso 1 1 calc R . .
C12 C 0.1301(4) -0.1422(3) 0.0508(3) 0.0357(7) Uani 1 1 d . . .
C13 C 0.2549(4) -0.1606(3) -0.0032(3) 0.0419(8) Uani 1 1 d . . .
H17 H 0.2259 -0.2010 -0.0902 0.050 Uiso 1 1 calc R . .
C14 C 0.4180(4) -0.1238(3) 0.0620(3) 0.0335(7) Uani 1 1 d . . .
C15 C 0.5430(5) -0.1503(3) -0.0051(3) 0.0521(9) Uani 1 1 d . . .
H18A H 0.6262 -0.0708 0.0218 0.078 Uiso 1 1 calc R . .
H18B H 0.4908 -0.1907 -0.0939 0.078 Uiso 1 1 calc R . .
H18C H 0.5923 -0.2065 0.0136 0.078 Uiso 1 1 calc R . .
C16 C 0.6446(3) -0.1484(2) 0.3571(2) 0.0221(5) Uani 1 1 d . . .
H5A H 0.6850 -0.2055 0.3803 0.033 Uiso 1 1 calc R . .
H5B H 0.7334 -0.0718 0.3844 0.033 Uiso 1 1 calc R . .
H5C H 0.5977 -0.1904 0.2676 0.033 Uiso 1 1 calc R . .


_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 O7 2.2482(18) . ?
Dy1 O2 2.2525(15) 2_656 ?
Dy1 O3 2.2642(15) . ?
Dy1 O6 2.3081(18) . ?
Dy1 O9 2.4139(18) . ?
Dy1 O1 2.4735(15) . ?
Dy1 O8 2.5336(17) . ?
Dy1 O1 2.5620(16) 2_656 ?
Dy1 N2 2.894(2) . ?
Cr1 O2 1.9299(17) . ?
Cr1 O3 1.9383(16) . ?
Cr1 O5 1.9689(17) . ?
Cr1 O1 1.9728(15) . ?
Cr1 O4 1.9755(16) . ?
Cr1 N1 2.1027(19) . ?
Cr1 Dy1 3.4096(4) 2_656 ?
O1 C16 1.437(3) . ?
O1 Dy1 2.5621(16) 2_656 ?
N1 C5 1.472(3) . ?
N1 C2 1.490(3) . ?
N1 C3 1.496(3) . ?
C1 O2 1.413(3) . ?
C1 C2 1.514(4) . ?
C1 H8A 0.9700 . ?
C1 H8B 0.9700 . ?
O2 Dy1 2.2525(15) 2_656 ?
N2 O10 1.218(3) . ?
N2 O8 1.259(3) . ?
N2 O9 1.277(3) . ?
C2 H12A 0.9700 . ?
C2 H12B 0.9700 . ?
O3 C4 1.420(3) . ?
C3 C4 1.510(3) . ?
C3 H14A 0.9700 . ?
C3 H14B 0.9700 . ?
O4 C7 1.270(3) . ?
C4 H6A 0.9700 . ?
C4 H6B 0.9700 . ?
O5 C9 1.270(3) . ?
C5 H11A 0.9600 . ?
C5 H11B 0.9600 . ?
C5 H11C 0.9600 . ?
O6 C12 1.253(3) . ?
C6 C7 1.493(3) . ?
C6 H10A 0.9600 . ?
C6 H10B 0.9600 . ?
C6 H10C 0.9600 . ?
O7 C14 1.281(3) . ?
C7 C8 1.398(4) . ?
C8 C9 1.390(4) . ?
C8 H13 0.9300 . ?
C9 C10 1.500(4) . ?
C10 H16A 0.9600 . ?
C10 H16B 0.9600 . ?
C10 H16C 0.9600 . ?
C11 C12 1.509(4) . ?
C11 H19A 0.9600 . ?
C11 H19B 0.9600 . ?
C11 H19C 0.9600 . ?
C12 C13 1.388(5) . ?
C13 C14 1.376(4) . ?
C13 H17 0.9300 . ?
C14 C15 1.497(4) . ?
C15 H18A 0.9600 . ?
C15 H18B 0.9600 . ?
C15 H18C 0.9600 . ?
C16 H5A 0.9600 . ?
C16 H5B 0.9600 . ?
C16 H5C 0.9600 . ?

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
O7 Dy1 O2 80.95(6) . 2_656 ?
O7 Dy1 O3 117.89(6) . . ?
O2 Dy1 O3 144.02(6) 2_656 . ?
O7 Dy1 O6 73.86(7) . . ?
O2 Dy1 O6 140.05(6) 2_656 . ?
O3 Dy1 O6 75.89(6) . . ?
O7 Dy1 O9 133.73(6) . . ?
O2 Dy1 O9 99.46(6) 2_656 . ?
O3 Dy1 O9 88.70(6) . . ?
O6 Dy1 O9 77.65(7) . . ?
O7 Dy1 O1 84.28(6) . . ?
O2 Dy1 O1 84.79(5) 2_656 . ?
O3 Dy1 O1 68.37(5) . . ?
O6 Dy1 O1 122.01(6) . . ?
O9 Dy1 O1 141.99(6) . . ?
O7 Dy1 O8 85.01(6) . . ?
O2 Dy1 O8 74.94(6) 2_656 . ?
O3 Dy1 O8 133.25(6) . . ?
O6 Dy1 O8 72.47(6) . . ?
O9 Dy1 O8 51.63(6) . . ?
O1 Dy1 O8 158.32(5) . . ?
O7 Dy1 O1 138.71(6) . 2_656 ?
O2 Dy1 O1 67.04(5) 2_656 2_656 ?
O3 Dy1 O1 80.54(5) . 2_656 ?
O6 Dy1 O1 146.87(6) . 2_656 ?
O9 Dy1 O1 78.87(6) . 2_656 ?
O1 Dy1 O1 68.05(6) . 2_656 ?
O8 Dy1 O1 109.58(6) . 2_656 ?
O7 Dy1 N2 109.57(7) . . ?
O2 Dy1 N2 86.88(6) 2_656 . ?
O3 Dy1 N2 111.68(6) . . ?
O6 Dy1 N2 73.42(6) . . ?
O9 Dy1 N2 25.88(6) . . ?
O1 Dy1 N2 162.51(6) . . ?
O8 Dy1 N2 25.75(6) . . ?
O1 Dy1 N2 94.53(6) 2_656 . ?
O2 Cr1 O3 92.56(7) . . ?
O2 Cr1 O5 178.18(7) . . ?
O3 Cr1 O5 88.52(7) . . ?
O2 Cr1 O1 86.37(7) . . ?
O3 Cr1 O1 86.00(6) . . ?
O5 Cr1 O1 95.17(7) . . ?
O2 Cr1 O4 89.41(7) . . ?
O3 Cr1 O4 177.23(7) . . ?
O5 Cr1 O4 89.46(7) . . ?
O1 Cr1 O4 96.08(7) . . ?
O2 Cr1 N1 83.58(7) . . ?
O3 Cr1 N1 83.73(7) . . ?
O5 Cr1 N1 95.09(8) . . ?
O1 Cr1 N1 165.28(8) . . ?
O4 Cr1 N1 94.55(7) . . ?
O2 Cr1 Dy1 38.66(5) . 2_656 ?
O3 Cr1 Dy1 94.90(5) . 2_656 ?
O5 Cr1 Dy1 142.69(5) . 2_656 ?
O1 Cr1 Dy1 48.28(5) . 2_656 ?
O4 Cr1 Dy1 87.86(5) . 2_656 ?
N1 Cr1 Dy1 122.21(6) . 2_656 ?
C16 O1 Cr1 121.30(14) . . ?
C16 O1 Dy1 114.27(13) . . ?
Cr1 O1 Dy1 97.20(6) . . ?
C16 O1 Dy1 113.42(13) . 2_656 ?
Cr1 O1 Dy1 96.64(6) . 2_656 ?
Dy1 O1 Dy1 111.95(6) . 2_656 ?
C5 N1 C2 110.02(19) . . ?
C5 N1 C3 110.7(2) . . ?
C2 N1 C3 111.3(2) . . ?
C5 N1 Cr1 114.70(16) . . ?
C2 N1 Cr1 103.53(14) . . ?
C3 N1 Cr1 106.41(14) . . ?
O2 C1 C2 109.2(2) . . ?
O2 C1 H8A 109.8 . . ?
C2 C1 H8A 109.8 . . ?
O2 C1 H8B 109.8 . . ?
C2 C1 H8B 109.8 . . ?
H8A C1 H8B 108.3 . . ?
C1 O2 Cr1 116.15(15) . . ?
C1 O2 Dy1 134.86(15) . 2_656 ?
Cr1 O2 Dy1 108.98(7) . 2_656 ?
O10 N2 O8 122.6(2) . . ?
O10 N2 O9 120.9(2) . . ?
O8 N2 O9 116.5(2) . . ?
O10 N2 Dy1 176.47(19) . . ?
O8 N2 Dy1 60.94(12) . . ?
O9 N2 Dy1 55.59(11) . . ?
N1 C2 C1 109.9(2) . . ?
N1 C2 H12A 109.7 . . ?
C1 C2 H12A 109.7 . . ?
N1 C2 H12B 109.7 . . ?
C1 C2 H12B 109.7 . . ?
H12A C2 H12B 108.2 . . ?
C4 O3 Cr1 109.97(13) . . ?
C4 O3 Dy1 132.63(14) . . ?
Cr1 O3 Dy1 105.53(7) . . ?
N1 C3 C4 109.49(19) . . ?
N1 C3 H14A 109.8 . . ?
C4 C3 H14A 109.8 . . ?
N1 C3 H14B 109.8 . . ?
C4 C3 H14B 109.8 . . ?
H14A C3 H14B 108.2 . . ?
C7 O4 Cr1 128.33(16) . . ?
O3 C4 C3 107.6(2) . . ?
O3 C4 H6A 110.2 . . ?
C3 C4 H6A 110.2 . . ?
O3 C4 H6B 110.2 . . ?
C3 C4 H6B 110.2 . . ?
H6A C4 H6B 108.5 . . ?
C9 O5 Cr1 127.80(16) . . ?
N1 C5 H11A 109.5 . . ?
N1 C5 H11B 109.5 . . ?
H11A C5 H11B 109.5 . . ?
N1 C5 H11C 109.5 . . ?
H11A C5 H11C 109.5 . . ?
H11B C5 H11C 109.5 . . ?
C12 O6 Dy1 135.96(19) . . ?
C7 C6 H10A 109.5 . . ?
C7 C6 H10B 109.5 . . ?
H10A C6 H10B 109.5 . . ?
C7 C6 H10C 109.5 . . ?
H10A C6 H10C 109.5 . . ?
H10B C6 H10C 109.5 . . ?
C14 O7 Dy1 137.07(19) . . ?
O4 C7 C8 124.2(2) . . ?
O4 C7 C6 116.1(2) . . ?
C8 C7 C6 119.6(2) . . ?
N2 O8 Dy1 93.31(13) . . ?
C9 C8 C7 124.5(2) . . ?
C9 C8 H13 117.8 . . ?
C7 C8 H13 117.8 . . ?
N2 O9 Dy1 98.53(14) . . ?
O5 C9 C8 125.3(2) . . ?
O5 C9 C10 114.9(2) . . ?
C8 C9 C10 119.9(2) . . ?
C9 C10 H16A 109.5 . . ?
C9 C10 H16B 109.5 . . ?
H16A C10 H16B 109.5 . . ?
C9 C10 H16C 109.5 . . ?
H16A C10 H16C 109.5 . . ?
H16B C10 H16C 109.5 . . ?
C12 C11 H19A 109.5 . . ?
C12 C11 H19B 109.5 . . ?
H19A C11 H19B 109.5 . . ?
C12 C11 H19C 109.5 . . ?
H19A C11 H19C 109.5 . . ?
H19B C11 H19C 109.5 . . ?
O6 C12 C13 123.8(3) . . ?
O6 C12 C11 116.1(3) . . ?
C13 C12 C11 120.1(3) . . ?
C14 C13 C12 125.1(3) . . ?
C14 C13 H17 117.4 . . ?
C12 C13 H17 117.4 . . ?
O7 C14 C13 123.9(3) . . ?
O7 C14 C15 115.0(3) . . ?
C13 C14 C15 121.1(3) . . ?
C14 C15 H18A 109.5 . . ?
C14 C15 H18B 109.5 . . ?
H18A C15 H18B 109.5 . . ?
C14 C15 H18C 109.5 . . ?
H18A C15 H18C 109.5 . . ?
H18B C15 H18C 109.5 . . ?
O1 C16 H5A 109.5 . . ?
O1 C16 H5B 109.5 . . ?
H5A C16 H5B 109.5 . . ?
O1 C16 H5C 109.5 . . ?
H5A C16 H5C 109.5 . . ?
H5B C16 H5C 109.5 . . ?

_diffrn_measured_fraction_theta_max 0.986
_diffrn_reflns_theta_full        27.50
_diffrn_measured_fraction_theta_full 0.986
_refine_diff_density_max         0.885
_refine_diff_density_min         -0.500
_refine_diff_density_rms         0.091
_database_code_depnum_ccdc_archive 'CCDC 999241'
#######################################################################
#
#                 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
#==========================================================================

_audit_creation_method           SHELXL-97
_audit_creation_date             '9 November 2005'
_chemical_name_systematic        
;
 ?
;
_chemical_name_common            ?
_chemical_melting_point          ?
_chemical_formula_moiety         ?
_chemical_formula_sum            'C34 H60 Cr2 Dy2 N4 O20'
_chemical_formula_weight         1273.86

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'
N N 0.0061 0.0033 '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'
Cr Cr 0.3209 0.6236 '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           triclinic
_symmetry_space_group_name_H-M   P-1

loop_
_symmetry_equiv_pos_as_xyz
'x, y, z'
'-x, -y, -z'

_cell_length_a                   10.3553(4)
_cell_length_b                   11.1635(4)
_cell_length_c                   11.1708(5)
_cell_angle_alpha                67.513(2)
_cell_angle_beta                 83.219(2)
_cell_angle_gamma                73.283(2)
_cell_volume                     1142.70(8)
_cell_formula_units_Z            1
_cell_measurement_temperature    123(2)
_cell_measurement_reflns_used    5648
_cell_measurement_theta_min      2.34
_cell_measurement_theta_max      25.12

_exptl_crystal_description       block
_exptl_crystal_colour            purple
_exptl_crystal_size_max          0.15
_exptl_crystal_size_mid          0.1
_exptl_crystal_size_min          0.05
_exptl_crystal_density_meas      ?
_exptl_crystal_density_diffrn    1.851
_exptl_crystal_density_method    'not measured'
_exptl_crystal_F_000             632
_exptl_absorpt_coefficient_mu    3.773
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_correction_T_min  0.465
_exptl_absorpt_correction_T_max  0.876
_exptl_absorpt_process_details   SADABS

_exptl_special_details           
; 
 ? 
;

_diffrn_ambient_temperature      123(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  'APEX X8'
_diffrn_measurement_method       'scans in phi and omega'
_diffrn_detector_area_resol_mean ?
_diffrn_standards_number         0
_diffrn_standards_interval_count 0
_diffrn_standards_interval_time  0
_diffrn_standards_decay_%        0
_diffrn_reflns_number            7709
_diffrn_reflns_av_R_equivalents  0.0197
_diffrn_reflns_av_sigmaI/netI    0.0313
_diffrn_reflns_limit_h_min       -12
_diffrn_reflns_limit_h_max       12
_diffrn_reflns_limit_k_min       -10
_diffrn_reflns_limit_k_max       13
_diffrn_reflns_limit_l_min       -9
_diffrn_reflns_limit_l_max       13
_diffrn_reflns_theta_min         2.65
_diffrn_reflns_theta_max         25.00
_reflns_number_total             3843
_reflns_number_gt                3558
_reflns_threshold_expression     >2sigma(I)

_computing_data_collection       'Bruker Apex2 V2.0'
_computing_cell_refinement       'Bruker Apex2 V2.0'
_computing_data_reduction        'Bruker Apex2 V2.0'
_computing_structure_solution    'SHELXS-97 (Sheldrick, 1990)'
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 1997)'
_computing_molecular_graphics    X-Seed
_computing_publication_material  CIFTAB

_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.
The asymmetric unit contained half of the molecule, which lies upon a
inversion centre. All the non-hydrogen atoms are refined anisotropically and all hydrogen atoms 
are placed in calculated positions.  
;

_refine_ls_structure_factor_coef Fsqd
_refine_ls_matrix_type           full
_refine_ls_weighting_scheme      calc
_refine_ls_weighting_details     
'calc w=1/[σ²(Fo²)+(0.0240P)²+3.3132P] where P=(Fo²+2Fc²)/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         3843
_refine_ls_number_parameters     286
_refine_ls_number_restraints     0
_refine_ls_R_factor_all          0.0302
_refine_ls_R_factor_gt           0.0266
_refine_ls_wR_factor_ref         0.0651
_refine_ls_wR_factor_gt          0.0631
_refine_ls_goodness_of_fit_ref   1.080
_refine_ls_restrained_S_all      1.080
_refine_ls_shift/su_max          0.002
_refine_ls_shift/su_mean         0.000

loop_
_atom_site_label
_atom_site_type_symbol
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_U_iso_or_equiv
_atom_site_adp_type
_atom_site_occupancy
_atom_site_symmetry_multiplicity
_atom_site_calc_flag
_atom_site_refinement_flags
_atom_site_disorder_assembly
_atom_site_disorder_group
Dy1 Dy 0.656954(19) 0.92934(2) 0.627543(19) 0.01922(8) Uani 1 1 d . . .
Cr1 Cr 0.65237(6) 0.86099(6) 0.36188(6) 0.01665(15) Uani 1 1 d . . .
O1 O 0.5214(3) 0.8689(3) 0.5042(3) 0.0182(6) Uani 1 1 d . . .
N1 N 0.7842(3) 0.9072(3) 0.2034(3) 0.0206(8) Uani 1 1 d . . .
C1 C 0.5789(5) 1.0914(5) 0.1314(4) 0.0343(12) Uani 1 1 d . . .
H1A H 0.6068 1.1697 0.1244 0.041 Uiso 1 1 calc R . .
H1B H 0.5045 1.1212 0.0726 0.041 Uiso 1 1 calc R . .
O2 O 0.5353(3) 1.0304(3) 0.2598(3) 0.0196(6) Uani 1 1 d . . .
N2 N 0.7544(4) 1.0846(4) 0.7335(4) 0.0278(9) Uani 1 1 d . . .
C2 C 0.6918(5) 0.9975(6) 0.0940(5) 0.0400(14) Uani 1 1 d . . .
H2A H 0.7421 1.0482 0.0239 0.048 Uiso 1 1 calc R . .
H2B H 0.6565 0.9436 0.0624 0.048 Uiso 1 1 calc R . .
O3 O 0.7477(3) 0.9467(3) 0.4303(3) 0.0193(6) Uani 1 1 d . . .
C3 C 0.8685(5) 0.9812(6) 0.2338(5) 0.0381(13) Uani 1 1 d . . .
H3A H 0.9582 0.9610 0.1971 0.046 Uiso 1 1 calc R . .
H3B H 0.8285 1.0772 0.1947 0.046 Uiso 1 1 calc R . .
O4 O 0.5645(3) 0.7700(3) 0.2884(3) 0.0240(7) Uani 1 1 d . . .
C4 C 0.8781(5) 0.9421(5) 0.3749(4) 0.0286(11) Uani 1 1 d . . .
H4A H 0.9366 0.8519 0.4119 0.034 Uiso 1 1 calc R . .
H4B H 0.9160 1.0031 0.3933 0.034 Uiso 1 1 calc R . .
O5 O 0.7677(3) 0.6845(3) 0.4666(3) 0.0229(7) Uani 1 1 d . . .
C5 C 0.8679(6) 0.7874(5) 0.1771(5) 0.0391(13) Uani 1 1 d . . .
H5A H 0.8084 0.7362 0.1724 0.047 Uiso 1 1 calc R . .
H5B H 0.9267 0.7313 0.2504 0.047 Uiso 1 1 calc R . .
O6 O 0.8845(3) 0.8258(3) 0.6656(3) 0.0315(8) Uani 1 1 d . . .
C6 C 0.9539(5) 0.8133(5) 0.0555(5) 0.0305(11) Uani 1 1 d . . .
H6A H 0.8984 0.8740 -0.0177 0.046 Uiso 1 1 calc R . .
H6B H 0.9958 0.7300 0.0433 0.046 Uiso 1 1 calc R . .
H6C H 1.0223 0.8523 0.0636 0.046 Uiso 1 1 calc R . .
O7 O 0.6695(3) 0.7204(3) 0.7769(3) 0.0360(8) Uani 1 1 d . . .
C7 C 0.4994(5) 0.6079(5) 0.2440(5) 0.0380(12) Uani 1 1 d . . .
H7A H 0.4057 0.6335 0.2663 0.057 Uiso 1 1 calc R . .
H7B H 0.5279 0.5126 0.2641 0.057 Uiso 1 1 calc R . .
H7C H 0.5120 0.6540 0.1531 0.057 Uiso 1 1 calc R . .
O8 O 0.7203(3) 0.9809(3) 0.8069(3) 0.0301(8) Uani 1 1 d . . .
C8 C 0.5809(5) 0.6446(5) 0.3197(5) 0.0267(10) Uani 1 1 d . . .
O9 O 0.7428(3) 1.1163(3) 0.6123(3) 0.0315(8) Uani 1 1 d . . .
C9 C 0.6678(5) 0.5457(5) 0.4156(5) 0.0296(11) Uani 1 1 d . . .
H9 H 0.6665 0.4570 0.4363 0.035 Uiso 1 1 calc R . .
O10 O 0.7977(4) 1.1512(4) 0.7760(4) 0.0402(9) Uani 1 1 d . . .
C10 C 0.7566(4) 0.5692(4) 0.4829(4) 0.0256(11) Uani 1 1 d . . .
C11 C 0.8488(5) 0.4524(5) 0.5794(5) 0.0412(14) Uani 1 1 d . . .
H11A H 0.9310 0.4228 0.5369 0.062 Uiso 1 1 calc R . .
H11B H 0.8061 0.3803 0.6173 0.062 Uiso 1 1 calc R . .
H11C H 0.8686 0.4788 0.6459 0.062 Uiso 1 1 calc R . .
C12 C 1.1037(5) 0.6901(6) 0.7251(6) 0.0478(15) Uani 1 1 d . . .
H12A H 1.1290 0.7243 0.6354 0.072 Uiso 1 1 calc R . .
H12B H 1.1461 0.5955 0.7620 0.072 Uiso 1 1 calc R . .
H12C H 1.1321 0.7356 0.7706 0.072 Uiso 1 1 calc R . .
C13 C 0.9526(5) 0.7135(5) 0.7365(5) 0.0323(12) Uani 1 1 d . . .
C14 C 0.8987(5) 0.6132(5) 0.8240(5) 0.0397(13) Uani 1 1 d . . .
H14 H 0.9585 0.5351 0.8757 0.048 Uiso 1 1 calc R . .
C15 C 0.7626(6) 0.6204(5) 0.8402(5) 0.0367(13) Uani 1 1 d . . .
C16 C 0.7139(7) 0.5035(6) 0.9357(6) 0.0548(17) Uani 1 1 d . . .
H16A H 0.6383 0.5362 0.9838 0.082 Uiso 1 1 calc R . .
H16B H 0.7854 0.4427 0.9943 0.082 Uiso 1 1 calc R . .
H16C H 0.6872 0.4574 0.8898 0.082 Uiso 1 1 calc R . .
C17 C 0.4712(6) 0.7557(6) 0.5834(6) 0.0433(14) Uani 1 1 d . . .
H17A H 0.4336 0.7254 0.5291 0.065 Uiso 1 1 calc R . .
H17B H 0.4027 0.7817 0.6412 0.065 Uiso 1 1 calc R . .
H17C H 0.5438 0.6842 0.6328 0.065 Uiso 1 1 calc R . .


_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 O3 2.251(3) . ?
Dy1 O2 2.253(3) 2_676 ?
Dy1 O7 2.268(3) . ?
Dy1 O6 2.316(3) . ?
Dy1 O9 2.436(3) . ?
Dy1 O1 2.457(3) . ?
Dy1 O8 2.487(3) . ?
Dy1 O1 2.523(3) 2_676 ?
Dy1 N2 2.877(4) . ?
Dy1 Cr1 3.3433(7) . ?
Dy1 Cr1 3.4002(7) 2_676 ?
Cr1 O2 1.925(3) . ?
Cr1 O3 1.937(3) . ?
Cr1 O4 1.970(3) . ?
Cr1 O5 1.972(3) . ?
Cr1 O1 1.976(3) . ?
Cr1 N1 2.098(3) . ?
Cr1 Dy1 3.4003(7) 2_676 ?
O1 C17 1.436(6) . ?
O1 Dy1 2.523(3) 2_676 ?
N1 C5 1.483(6) . ?
N1 C2 1.485(6) . ?
N1 C3 1.503(6) . ?
C1 O2 1.414(5) . ?
C1 C2 1.468(7) . ?
C1 H1A 0.9700 . ?
C1 H1B 0.9700 . ?
O2 Dy1 2.253(3) 2_676 ?
N2 O10 1.221(5) . ?
N2 O8 1.256(5) . ?
N2 O9 1.272(5) . ?
C2 H2A 0.9700 . ?
C2 H2B 0.9700 . ?
O3 C4 1.412(5) . ?
C3 C4 1.474(7) . ?
C3 H3A 0.9700 . ?
C3 H3B 0.9700 . ?
O4 C8 1.270(5) . ?
C4 H4A 0.9700 . ?
C4 H4B 0.9700 . ?
O5 C10 1.267(5) . ?
C5 C6 1.512(6) . ?
C5 H5A 0.9700 . ?
C5 H5B 0.9700 . ?
O6 C13 1.249(5) . ?
C6 H6A 0.9600 . ?
C6 H6B 0.9600 . ?
C6 H6C 0.9600 . ?
O7 C15 1.270(6) . ?
C7 C8 1.492(7) . ?
C7 H7A 0.9600 . ?
C7 H7B 0.9600 . ?
C7 H7C 0.9600 . ?
C8 C9 1.388(7) . ?
C9 C10 1.390(7) . ?
C9 H9 0.9300 . ?
C10 C11 1.492(6) . ?
C11 H11A 0.9600 . ?
C11 H11B 0.9600 . ?
C11 H11C 0.9600 . ?
C12 C13 1.509(7) . ?
C12 H12A 0.9600 . ?
C12 H12B 0.9600 . ?
C12 H12C 0.9600 . ?
C13 C14 1.384(8) . ?
C14 C15 1.383(8) . ?
C14 H14 0.9300 . ?
C15 C16 1.510(8) . ?
C16 H16A 0.9600 . ?
C16 H16B 0.9600 . ?
C16 H16C 0.9600 . ?
C17 H17A 0.9600 . ?
C17 H17B 0.9600 . ?
C17 H17C 0.9600 . ?

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
O3 Dy1 O2 145.42(10) . 2_676 ?
O3 Dy1 O7 117.89(11) . . ?
O2 Dy1 O7 79.44(11) 2_676 . ?
O3 Dy1 O6 75.41(11) . . ?
O2 Dy1 O6 139.08(11) 2_676 . ?
O7 Dy1 O6 74.07(12) . . ?
O3 Dy1 O9 87.85(10) . . ?
O2 Dy1 O9 100.28(11) 2_676 . ?
O7 Dy1 O9 134.90(12) . . ?
O6 Dy1 O9 78.33(12) . . ?
O3 Dy1 O1 68.75(10) . . ?
O2 Dy1 O1 84.65(10) 2_676 . ?
O7 Dy1 O1 84.73(11) . . ?
O6 Dy1 O1 122.52(11) . . ?
O9 Dy1 O1 140.37(10) . . ?
O3 Dy1 O8 132.48(10) . . ?
O2 Dy1 O8 74.72(10) 2_676 . ?
O7 Dy1 O8 85.88(12) . . ?
O6 Dy1 O8 72.80(11) . . ?
O9 Dy1 O8 51.83(11) . . ?
O1 Dy1 O8 158.58(10) . . ?
O3 Dy1 O1 82.32(9) . 2_676 ?
O2 Dy1 O1 67.11(9) 2_676 2_676 ?
O7 Dy1 O1 138.18(11) . 2_676 ?
O6 Dy1 O1 147.47(10) . 2_676 ?
O9 Dy1 O1 77.41(10) . 2_676 ?
O1 Dy1 O1 68.37(11) . 2_676 ?
O8 Dy1 O1 107.55(10) . 2_676 ?
O3 Dy1 N2 110.84(11) . . ?
O2 Dy1 N2 87.30(11) 2_676 . ?
O7 Dy1 N2 110.49(13) . . ?
O6 Dy1 N2 73.83(12) . . ?
O9 Dy1 N2 26.04(11) . . ?
O1 Dy1 N2 161.16(10) . . ?
O8 Dy1 N2 25.79(11) . . ?
O1 Dy1 N2 92.81(10) 2_676 . ?
O3 Dy1 Cr1 33.91(7) . . ?
O2 Dy1 Cr1 119.76(8) 2_676 . ?
O7 Dy1 Cr1 98.09(9) . . ?
O6 Dy1 Cr1 94.70(8) . . ?
O9 Dy1 Cr1 119.28(8) . . ?
O1 Dy1 Cr1 35.89(6) . . ?
O8 Dy1 Cr1 165.41(7) . . ?
O1 Dy1 Cr1 78.80(7) 2_676 . ?
N2 Dy1 Cr1 144.17(8) . . ?
O3 Dy1 Cr1 117.06(7) . 2_676 ?
O2 Dy1 Cr1 32.43(7) 2_676 2_676 ?
O7 Dy1 Cr1 110.37(8) . 2_676 ?
O6 Dy1 Cr1 158.99(9) . 2_676 ?
O9 Dy1 Cr1 85.07(8) . 2_676 ?
O1 Dy1 Cr1 78.49(6) . 2_676 ?
O8 Dy1 Cr1 86.85(7) . 2_676 ?
O1 Dy1 Cr1 35.18(6) 2_676 2_676 ?
N2 Dy1 Cr1 85.59(8) . 2_676 ?
Cr1 Dy1 Cr1 104.692(15) . 2_676 ?
O2 Cr1 O3 92.49(13) . . ?
O2 Cr1 O4 89.00(13) . . ?
O3 Cr1 O4 176.98(12) . . ?
O2 Cr1 O5 178.14(13) . . ?
O3 Cr1 O5 89.19(13) . . ?
O4 Cr1 O5 89.36(13) . . ?
O2 Cr1 O1 85.54(11) . . ?
O3 Cr1 O1 85.79(12) . . ?
O4 Cr1 O1 96.94(12) . . ?
O5 Cr1 O1 93.77(12) . . ?
O2 Cr1 N1 83.38(12) . . ?
O3 Cr1 N1 83.91(13) . . ?
O4 Cr1 N1 93.66(14) . . ?
O5 Cr1 N1 97.62(13) . . ?
O1 Cr1 N1 164.51(13) . . ?
O2 Cr1 Dy1 97.64(9) . . ?
O3 Cr1 Dy1 40.41(8) . . ?
O4 Cr1 Dy1 141.91(9) . . ?
O5 Cr1 Dy1 83.11(9) . . ?
O1 Cr1 Dy1 46.81(9) . . ?
N1 Cr1 Dy1 124.30(11) . . ?
O2 Cr1 Dy1 38.87(8) . 2_676 ?
O3 Cr1 Dy1 95.21(8) . 2_676 ?
O4 Cr1 Dy1 87.59(9) . 2_676 ?
O5 Cr1 Dy1 140.13(9) . 2_676 ?
O1 Cr1 Dy1 47.36(8) . 2_676 ?
N1 Cr1 Dy1 122.24(10) . 2_676 ?
Dy1 Cr1 Dy1 75.309(15) . 2_676 ?
C17 O1 Cr1 122.0(3) . . ?
C17 O1 Dy1 112.5(3) . . ?
Cr1 O1 Dy1 97.30(11) . . ?
C17 O1 Dy1 114.2(3) . 2_676 ?
Cr1 O1 Dy1 97.46(11) . 2_676 ?
Dy1 O1 Dy1 111.63(11) . 2_676 ?
C5 N1 C2 110.7(4) . . ?
C5 N1 C3 112.1(4) . . ?
C2 N1 C3 111.3(4) . . ?
C5 N1 Cr1 113.4(3) . . ?
C2 N1 Cr1 103.2(3) . . ?
C3 N1 Cr1 105.7(3) . . ?
O2 C1 C2 111.2(4) . . ?
O2 C1 H1A 109.4 . . ?
C2 C1 H1A 109.4 . . ?
O2 C1 H1B 109.4 . . ?
C2 C1 H1B 109.4 . . ?
H1A C1 H1B 108.0 . . ?
C1 O2 Cr1 116.0(3) . . ?
C1 O2 Dy1 134.8(3) . 2_676 ?
Cr1 O2 Dy1 108.70(12) . 2_676 ?
O10 N2 O8 121.8(4) . . ?
O10 N2 O9 121.5(4) . . ?
O8 N2 O9 116.7(4) . . ?
O10 N2 Dy1 178.5(3) . . ?
O8 N2 Dy1 59.5(2) . . ?
O9 N2 Dy1 57.2(2) . . ?
C1 C2 N1 112.4(4) . . ?
C1 C2 H2A 109.1 . . ?
N1 C2 H2A 109.1 . . ?
C1 C2 H2B 109.1 . . ?
N1 C2 H2B 109.1 . . ?
H2A C2 H2B 107.9 . . ?
C4 O3 Cr1 110.9(3) . . ?
C4 O3 Dy1 135.3(3) . . ?
Cr1 O3 Dy1 105.68(12) . . ?
C4 C3 N1 110.7(4) . . ?
C4 C3 H3A 109.5 . . ?
N1 C3 H3A 109.5 . . ?
C4 C3 H3B 109.5 . . ?
N1 C3 H3B 109.5 . . ?
H3A C3 H3B 108.1 . . ?
C8 O4 Cr1 128.2(3) . . ?
O3 C4 C3 108.9(4) . . ?
O3 C4 H4A 109.9 . . ?
C3 C4 H4A 109.9 . . ?
O3 C4 H4B 109.9 . . ?
C3 C4 H4B 109.9 . . ?
H4A C4 H4B 108.3 . . ?
C10 O5 Cr1 127.8(3) . . ?
N1 C5 C6 116.7(4) . . ?
N1 C5 H5A 108.1 . . ?
C6 C5 H5A 108.1 . . ?
N1 C5 H5B 108.1 . . ?
C6 C5 H5B 108.1 . . ?
H5A C5 H5B 107.3 . . ?
C13 O6 Dy1 135.5(3) . . ?
C5 C6 H6A 109.5 . . ?
C5 C6 H6B 109.5 . . ?
H6A C6 H6B 109.5 . . ?
C5 C6 H6C 109.5 . . ?
H6A C6 H6C 109.5 . . ?
H6B C6 H6C 109.5 . . ?
C15 O7 Dy1 136.2(3) . . ?
C8 C7 H7A 109.5 . . ?
C8 C7 H7B 109.5 . . ?
H7A C7 H7B 109.5 . . ?
C8 C7 H7C 109.5 . . ?
H7A C7 H7C 109.5 . . ?
H7B C7 H7C 109.5 . . ?
N2 O8 Dy1 94.7(2) . . ?
O4 C8 C9 124.3(5) . . ?
O4 C8 C7 115.0(4) . . ?
C9 C8 C7 120.7(4) . . ?
N2 O9 Dy1 96.7(3) . . ?
C8 C9 C10 124.9(4) . . ?
C8 C9 H9 117.5 . . ?
C10 C9 H9 117.5 . . ?
O5 C10 C9 124.5(4) . . ?
O5 C10 C11 116.4(5) . . ?
C9 C10 C11 119.1(4) . . ?
C10 C11 H11A 109.5 . . ?
C10 C11 H11B 109.5 . . ?
H11A C11 H11B 109.5 . . ?
C10 C11 H11C 109.5 . . ?
H11A C11 H11C 109.5 . . ?
H11B C11 H11C 109.5 . . ?
C13 C12 H12A 109.5 . . ?
C13 C12 H12B 109.5 . . ?
H12A C12 H12B 109.5 . . ?
C13 C12 H12C 109.5 . . ?
H12A C12 H12C 109.5 . . ?
H12B C12 H12C 109.5 . . ?
O6 C13 C14 124.6(5) . . ?
O6 C13 C12 116.2(5) . . ?
C14 C13 C12 119.3(4) . . ?
C15 C14 C13 124.8(4) . . ?
C15 C14 H14 117.6 . . ?
C13 C14 H14 117.6 . . ?
O7 C15 C14 124.6(5) . . ?
O7 C15 C16 114.6(5) . . ?
C14 C15 C16 120.8(5) . . ?
C15 C16 H16A 109.5 . . ?
C15 C16 H16B 109.5 . . ?
H16A C16 H16B 109.5 . . ?
C15 C16 H16C 109.5 . . ?
H16A C16 H16C 109.5 . . ?
H16B C16 H16C 109.5 . . ?
O1 C17 H17A 109.5 . . ?
O1 C17 H17B 109.5 . . ?
H17A C17 H17B 109.5 . . ?
O1 C17 H17C 109.5 . . ?
H17A C17 H17C 109.5 . . ?
H17B C17 H17C 109.5 . . ?

_diffrn_measured_fraction_theta_max 0.953
_diffrn_reflns_theta_full        25.00
_diffrn_measured_fraction_theta_full 0.953
_refine_diff_density_max         1.631
_refine_diff_density_min         -0.530
_refine_diff_density_rms         0.107
_database_code_depnum_ccdc_archive 'CCDC 999242'
#######################################################################
#
#                 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
#==========================================================================

_audit_creation_method           SHELXL-97
_audit_creation_date             '9 November 2005'
_chemical_name_systematic        
;
 ?
;
_chemical_name_common            ?
_chemical_melting_point          ?
_chemical_formula_moiety         ?
_chemical_formula_sum            'C38 H68 Cr2 Dy2 N4 O20'
_chemical_formula_weight         1329.96

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'
N N 0.0061 0.0033 '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'
Cr Cr 0.3209 0.6236 '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           triclinic
_symmetry_space_group_name_H-M   P-1

loop_
_symmetry_equiv_pos_as_xyz
'x, y, z'
'-x, -y, -z'

_cell_length_a                   10.0326(3)
_cell_length_b                   10.7728(3)
_cell_length_c                   11.8721(4)
_cell_angle_alpha                87.039(2)
_cell_angle_beta                 84.943(2)
_cell_angle_gamma                72.832(2)
_cell_volume                     1220.74(6)
_cell_formula_units_Z            1
_cell_measurement_temperature    123(2)
_cell_measurement_reflns_used    6537
_cell_measurement_theta_min      2.67
_cell_measurement_theta_max      27.54

_exptl_crystal_description       block
_exptl_crystal_colour            purple
_exptl_crystal_size_max          0.2
_exptl_crystal_size_mid          0.2
_exptl_crystal_size_min          0.15
_exptl_crystal_density_meas      ?
_exptl_crystal_density_diffrn    1.809
_exptl_crystal_density_method    'not measured'
_exptl_crystal_F_000             664
_exptl_absorpt_coefficient_mu    3.536
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_correction_T_min  0.684
_exptl_absorpt_correction_T_max  0.876
_exptl_absorpt_process_details   SADABS

_exptl_special_details           
; 
 ? 
;

_diffrn_ambient_temperature      123(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  'APEX X8'
_diffrn_measurement_method       'scans in phi and omega'
_diffrn_detector_area_resol_mean ?
_diffrn_standards_number         0
_diffrn_standards_interval_count 0
_diffrn_standards_interval_time  0
_diffrn_standards_decay_%        0
_diffrn_reflns_number            13246
_diffrn_reflns_av_R_equivalents  0.0167
_diffrn_reflns_av_sigmaI/netI    0.0233
_diffrn_reflns_limit_h_min       -13
_diffrn_reflns_limit_h_max       13
_diffrn_reflns_limit_k_min       -13
_diffrn_reflns_limit_k_max       13
_diffrn_reflns_limit_l_min       -15
_diffrn_reflns_limit_l_max       15
_diffrn_reflns_theta_min         2.84
_diffrn_reflns_theta_max         27.50
_reflns_number_total             5418
_reflns_number_gt                5105
_reflns_threshold_expression     >2sigma(I)

_computing_data_collection       'Bruker Apex2 V2.0'
_computing_cell_refinement       'Bruker Apex2 V2.0'
_computing_data_reduction        'Bruker Apex2 V2.0'
_computing_structure_solution    'SHELXS-97 (Sheldrick, 1990)'
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 1997)'
_computing_molecular_graphics    X-Seed
_computing_publication_material  CIFTAB

_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.
The asymmetric unit contained half of the molecule, which lies upon a
inversion centre. All the non-hydrogen atoms are refined anisotropically and all hydrogen atoms 
are placed in calculated positions. Disorder is found for the butyl group of the N-butyldiethanolamine
ligand. It was found that the carbon atoms are disordered over two positions at 55:45 occupancy.
Bond length restraints (DFIX) were place on two of the bonds of the disordered chains. 
;

_refine_ls_structure_factor_coef Fsqd
_refine_ls_matrix_type           full
_refine_ls_weighting_scheme      calc
_refine_ls_weighting_details     
'calc w=1/[σ²(Fo²)+(0.0225P)²+1.7904P] where P=(Fo²+2Fc²)/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         5418
_refine_ls_number_parameters     342
_refine_ls_number_restraints     2
_refine_ls_R_factor_all          0.0231
_refine_ls_R_factor_gt           0.0207
_refine_ls_wR_factor_ref         0.0501
_refine_ls_wR_factor_gt          0.0486
_refine_ls_goodness_of_fit_ref   0.988
_refine_ls_restrained_S_all      0.989
_refine_ls_shift/su_max          0.002
_refine_ls_shift/su_mean         0.000

loop_
_atom_site_label
_atom_site_type_symbol
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_U_iso_or_equiv
_atom_site_adp_type
_atom_site_occupancy
_atom_site_symmetry_multiplicity
_atom_site_calc_flag
_atom_site_refinement_flags
_atom_site_disorder_assembly
_atom_site_disorder_group
Dy1 Dy 0.870633(11) 0.880467(10) 0.524818(10) 0.01871(4) Uani 1 1 d . . .
Cr1 Cr 0.83714(4) 1.15602(4) 0.65735(4) 0.02094(9) Uani 1 1 d . . .
O1 O 0.99715(17) 1.00164(16) 0.62053(15) 0.0208(4) Uani 1 1 d . . .
N1 N 0.6637(2) 1.3247(2) 0.6487(2) 0.0332(6) Uani 1 1 d . . .
C1 C 0.8433(3) 1.3765(2) 0.5159(3) 0.0352(7) Uani 1 1 d . . .
H4A H 0.8009 1.3778 0.4454 0.042 Uiso 1 1 calc R A .
H4B H 0.9046 1.4316 0.5061 0.042 Uiso 1 1 calc R . .
O2 O 0.92154(17) 1.24810(16) 0.54362(16) 0.0210(4) Uani 1 1 d . . .
N2 N 0.7611(2) 0.7614(2) 0.3561(2) 0.0309(5) Uani 1 1 d . A .
C2 C 0.7308(3) 1.4273(3) 0.6092(3) 0.0425(9) Uani 1 1 d . A .
H12A H 0.7715 1.4532 0.6719 0.051 Uiso 1 1 calc R . .
H12B H 0.6609 1.5030 0.5816 0.051 Uiso 1 1 calc R . .
O3 O 0.74239(17) 1.09018(16) 0.54909(15) 0.0212(4) Uani 1 1 d . . .
C3 C 0.5770(3) 1.2971(3) 0.5620(3) 0.0332(7) Uani 1 1 d . A .
H9A H 0.6065 1.3253 0.4875 0.040 Uiso 1 1 calc R . .
H9B H 0.4792 1.3440 0.5789 0.040 Uiso 1 1 calc R . .
O4 O 0.9307(2) 1.2192(2) 0.77273(17) 0.0302(4) Uani 1 1 d . . .
C4 C 0.5957(3) 1.1524(3) 0.5641(3) 0.0273(6) Uani 1 1 d . A .
H3A H 0.5575 1.1252 0.6358 0.033 Uiso 1 1 calc R . .
H3B H 0.5482 1.1305 0.5037 0.033 Uiso 1 1 calc R . .
O5 O 0.7484(2) 1.0700(2) 0.77871(17) 0.0343(5) Uani 1 1 d . . .
C5 C 0.5863(8) 1.3355(7) 0.7768(7) 0.0187(15) Uani 0.478(8) 1 d PD A 1
H15A H 0.5417 1.2671 0.7908 0.022 Uiso 0.478(8) 1 calc PR A 1
H15B H 0.6548 1.3254 0.8319 0.022 Uiso 0.478(8) 1 calc PR A 1
O6 O 0.66392(19) 0.86766(18) 0.61929(17) 0.0283(4) Uani 1 1 d . . .
C6 C 0.4759(7) 1.4692(7) 0.7886(7) 0.0233(15) Uani 0.478(8) 1 d PD A 1
H6A H 0.5219 1.5363 0.7919 0.028 Uiso 0.478(8) 1 calc PR A 1
H6B H 0.4207 1.4878 0.7233 0.028 Uiso 0.478(8) 1 calc PR A 1
O7 O 0.93233(19) 0.73058(19) 0.66637(18) 0.0298(4) Uani 1 1 d . . .
C7 C 0.3809(8) 1.4690(8) 0.8956(7) 0.0271(19) Uani 0.478(8) 1 d P A 1
H23A H 0.4380 1.4354 0.9585 0.033 Uiso 0.478(8) 1 calc PR A 1
H23B H 0.3246 1.4114 0.8866 0.033 Uiso 0.478(8) 1 calc PR A 1
O8 O 0.8147(2) 0.69208(18) 0.4378(2) 0.0359(5) Uani 1 1 d . . .
C8 C 0.2854(6) 1.6032(6) 0.9229(6) 0.0343(18) Uani 0.478(8) 1 d P A 1
H2A H 0.3407 1.6597 0.9349 0.051 Uiso 0.478(8) 1 calc PR A 1
H2B H 0.2263 1.5981 0.9900 0.051 Uiso 0.478(8) 1 calc PR A 1
H2C H 0.2286 1.6369 0.8609 0.051 Uiso 0.478(8) 1 calc PR A 1
O9 O 0.75218(19) 0.88233(18) 0.35740(18) 0.0288(4) Uani 1 1 d . . .
C9 C 1.0344(6) 1.2343(5) 0.9387(3) 0.0863(19) Uani 1 1 d . . .
H17A H 1.1217 1.2186 0.8936 0.129 Uiso 1 1 calc R A .
H17B H 1.0494 1.1876 1.0098 0.129 Uiso 1 1 calc R . .
H17C H 0.9967 1.3256 0.9519 0.129 Uiso 1 1 calc R . .
O10 O 0.7181(2) 0.7179(2) 0.2787(2) 0.0458(6) Uani 1 1 d . . .
C10 C 0.9335(4) 1.1891(4) 0.8775(3) 0.0519(10) Uani 1 1 d . A .
C11 C 0.8512(6) 1.1187(5) 0.9348(3) 0.0727(15) Uani 1 1 d . . .
H21 H 0.8575 1.1050 1.0124 0.087 Uiso 1 1 calc R A .
C12 C 0.7606(4) 1.0678(4) 0.8841(3) 0.0523(10) Uani 1 1 d . A .
C13 C 0.6643(6) 1.0055(5) 0.9548(3) 0.0762(16) Uani 1 1 d . . .
H16A H 0.5689 1.0528 0.9436 0.114 Uiso 1 1 calc R A .
H16B H 0.6803 1.0067 1.0332 0.114 Uiso 1 1 calc R . .
H16C H 0.6823 0.9172 0.9327 0.114 Uiso 1 1 calc R . .
C14 C 0.4775(3) 0.8460(3) 0.7466(3) 0.0386(7) Uani 1 1 d . . .
H10A H 0.4399 0.9390 0.7463 0.058 Uiso 1 1 calc R A .
H10B H 0.4661 0.8116 0.8218 0.058 Uiso 1 1 calc R . .
H10C H 0.4288 0.8108 0.6964 0.058 Uiso 1 1 calc R . .
C15 C 0.6312(3) 0.8096(3) 0.7075(3) 0.0279(6) Uani 1 1 d . A .
C16 C 0.7264(3) 0.7141(3) 0.7685(3) 0.0316(6) Uani 1 1 d . . .
H5 H 0.6914 0.6735 0.8303 0.038 Uiso 1 1 calc R A .
C17 C 0.8697(3) 0.6766(3) 0.7423(2) 0.0283(6) Uani 1 1 d . A .
C18 C 0.9624(4) 0.5632(3) 0.8053(3) 0.0415(8) Uani 1 1 d . . .
H11A H 0.9962 0.4904 0.7564 0.062 Uiso 1 1 calc R A .
H11B H 0.9097 0.5400 0.8702 0.062 Uiso 1 1 calc R . .
H11C H 1.0402 0.5869 0.8294 0.062 Uiso 1 1 calc R . .
C19 C 1.0806(3) 0.9284(3) 0.7077(3) 0.0332(7) Uani 1 1 d . . .
H7A H 1.1287 0.9815 0.7396 0.050 Uiso 1 1 calc R . .
H7B H 1.1476 0.8529 0.6759 0.050 Uiso 1 1 calc R . .
H7C H 1.0210 0.9020 0.7659 0.050 Uiso 1 1 calc R . .
C5' C 0.5755(8) 1.3727(6) 0.7425(6) 0.0177(14) Uani 0.522(8) 1 d PD A 2
H22A H 0.6346 1.3807 0.8005 0.021 Uiso 0.522(8) 1 calc PR A 2
H22B H 0.5328 1.3057 0.7693 0.021 Uiso 0.522(8) 1 calc PR A 2
C6' C 0.4568(6) 1.5008(6) 0.7396(6) 0.0232(13) Uani 0.522(8) 1 d PD A 2
H6'1 H 0.4925 1.5677 0.7015 0.028 Uiso 0.522(8) 1 calc PR A 2
H6'2 H 0.3837 1.4897 0.6964 0.028 Uiso 0.522(8) 1 calc PR A 2
C7' C 0.3945(6) 1.5453(6) 0.8584(5) 0.0260(14) Uani 0.522(8) 1 d P A 2
H18A H 0.4660 1.5639 0.8989 0.031 Uiso 0.522(8) 1 calc PR A 2
H18B H 0.3192 1.6254 0.8517 0.031 Uiso 0.522(8) 1 calc PR A 2
C8' C 0.3386(9) 1.4467(8) 0.9271(6) 0.0311(16) Uani 0.522(8) 1 d P A 2
H1A H 0.2748 1.4208 0.8844 0.047 Uiso 0.522(8) 1 calc PR A 2
H1B H 0.2905 1.4847 0.9962 0.047 Uiso 0.522(8) 1 calc PR A 2
H1C H 0.4148 1.3720 0.9443 0.047 Uiso 0.522(8) 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
Dy1 O2 2.2448(16) 2_776 ?
Dy1 O7 2.2644(19) . ?
Dy1 O3 2.2646(16) . ?
Dy1 O6 2.3066(18) . ?
Dy1 O9 2.400(2) . ?
Dy1 O1 2.4478(17) . ?
Dy1 O8 2.548(2) . ?
Dy1 O1 2.5913(18) 2_776 ?
Dy1 N2 2.890(2) . ?
Dy1 Cr1 3.3467(4) . ?
Dy1 Cr1 3.4230(4) 2_776 ?
Cr1 O2 1.9183(18) . ?
Cr1 O3 1.9406(17) . ?
Cr1 O5 1.962(2) . ?
Cr1 O1 1.9772(17) . ?
Cr1 O4 1.9803(19) . ?
Cr1 N1 2.118(2) . ?
Cr1 Dy1 3.4230(4) 2_776 ?
O1 C19 1.440(3) . ?
O1 Dy1 2.5914(18) 2_776 ?
N1 C5' 1.381(8) . ?
N1 C2 1.492(4) . ?
N1 C3 1.498(4) . ?
N1 C5 1.639(8) . ?
C1 O2 1.412(3) . ?
C1 C2 1.509(5) . ?
C1 H4A 0.9700 . ?
C1 H4B 0.9700 . ?
O2 Dy1 2.2448(16) 2_776 ?
N2 O10 1.218(3) . ?
N2 O8 1.252(3) . ?
N2 O9 1.280(3) . ?
C2 H12A 0.9700 . ?
C2 H12B 0.9700 . ?
O3 C4 1.425(3) . ?
C3 C4 1.513(4) . ?
C3 H9A 0.9700 . ?
C3 H9B 0.9700 . ?
O4 C10 1.269(4) . ?
C4 H3A 0.9700 . ?
C4 H3B 0.9700 . ?
O5 C12 1.267(4) . ?
C5 C6 1.540(7) . ?
C5 H15A 0.9700 . ?
C5 H15B 0.9700 . ?
O6 C15 1.261(3) . ?
C6 C7 1.520(11) . ?
C6 H6A 0.9700 . ?
C6 H6B 0.9700 . ?
O7 C17 1.268(3) . ?
C7 C8 1.513(10) . ?
C7 H23A 0.9700 . ?
C7 H23B 0.9700 . ?
C8 H2A 0.9600 . ?
C8 H2B 0.9600 . ?
C8 H2C 0.9600 . ?
C9 C10 1.499(5) . ?
C9 H17A 0.9600 . ?
C9 H17B 0.9600 . ?
C9 H17C 0.9600 . ?
C10 C11 1.392(5) . ?
C11 C12 1.383(5) . ?
C11 H21 0.9300 . ?
C12 C13 1.507(5) . ?
C13 H16A 0.9600 . ?
C13 H16B 0.9600 . ?
C13 H16C 0.9600 . ?
C14 C15 1.511(4) . ?
C14 H10A 0.9600 . ?
C14 H10B 0.9600 . ?
C14 H10C 0.9600 . ?
C15 C16 1.400(4) . ?
C16 C17 1.385(4) . ?
C16 H5 0.9300 . ?
C17 C18 1.508(4) . ?
C18 H11A 0.9600 . ?
C18 H11B 0.9600 . ?
C18 H11C 0.9600 . ?
C19 H7A 0.9600 . ?
C19 H7B 0.9600 . ?
C19 H7C 0.9600 . ?
C5' C6' 1.535(7) . ?
C5' H22A 0.9700 . ?
C5' H22B 0.9700 . ?
C6' C7' 1.533(8) . ?
C6' H6'1 0.9700 . ?
C6' H6'2 0.9700 . ?
C7' C8' 1.513(9) . ?
C7' H18A 0.9700 . ?
C7' H18B 0.9700 . ?
C8' H1A 0.9600 . ?
C8' H1B 0.9600 . ?
C8' H1C 0.9600 . ?

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
O2 Dy1 O7 77.19(7) 2_776 . ?
O2 Dy1 O3 143.76(6) 2_776 . ?
O7 Dy1 O3 124.94(7) . . ?
O2 Dy1 O6 140.60(6) 2_776 . ?
O7 Dy1 O6 74.05(7) . . ?
O3 Dy1 O6 75.61(6) . . ?
O2 Dy1 O9 95.66(7) 2_776 . ?
O7 Dy1 O9 132.26(7) . . ?
O3 Dy1 O9 88.26(6) . . ?
O6 Dy1 O9 84.51(7) . . ?
O2 Dy1 O1 88.11(6) 2_776 . ?
O7 Dy1 O1 84.93(6) . . ?
O3 Dy1 O1 68.30(6) . . ?
O6 Dy1 O1 115.19(7) . . ?
O9 Dy1 O1 142.56(6) . . ?
O2 Dy1 O8 75.10(6) 2_776 . ?
O7 Dy1 O8 81.43(7) . . ?
O3 Dy1 O8 131.35(6) . . ?
O6 Dy1 O8 74.47(7) . . ?
O9 Dy1 O8 51.56(7) . . ?
O1 Dy1 O8 160.32(6) . . ?
O2 Dy1 O1 66.64(6) 2_776 2_776 ?
O7 Dy1 O1 135.33(6) . 2_776 ?
O3 Dy1 O1 79.05(6) . 2_776 ?
O6 Dy1 O1 149.70(6) . 2_776 ?
O9 Dy1 O1 78.34(6) . 2_776 ?
O1 Dy1 O1 69.07(7) . 2_776 ?
O8 Dy1 O1 111.93(7) . 2_776 ?
O2 Dy1 N2 83.98(6) 2_776 . ?
O7 Dy1 N2 106.91(7) . . ?
O3 Dy1 N2 111.14(6) . . ?
O6 Dy1 N2 79.30(7) . . ?
O9 Dy1 N2 25.95(7) . . ?
O1 Dy1 N2 163.83(7) . . ?
O8 Dy1 N2 25.65(7) . . ?
O1 Dy1 N2 94.81(6) 2_776 . ?
O2 Dy1 Cr1 122.62(4) 2_776 . ?
O7 Dy1 Cr1 101.35(5) . . ?
O3 Dy1 Cr1 34.02(4) . . ?
O6 Dy1 Cr1 89.34(5) . . ?
O9 Dy1 Cr1 120.86(4) . . ?
O1 Dy1 Cr1 35.83(4) . . ?
O8 Dy1 Cr1 162.27(5) . . ?
O1 Dy1 Cr1 78.56(4) 2_776 . ?
N2 Dy1 Cr1 145.07(5) . . ?
O2 Dy1 Cr1 31.69(4) 2_776 2_776 ?
O7 Dy1 Cr1 106.42(5) . 2_776 ?
O3 Dy1 Cr1 113.71(5) . 2_776 ?
O6 Dy1 Cr1 165.74(5) . 2_776 ?
O9 Dy1 Cr1 85.02(5) . 2_776 ?
O1 Dy1 Cr1 78.88(4) . 2_776 ?
O8 Dy1 Cr1 91.42(5) . 2_776 ?
O1 Dy1 Cr1 35.05(4) 2_776 2_776 ?
N2 Dy1 Cr1 87.06(5) . 2_776 ?
Cr1 Dy1 Cr1 104.352(9) . 2_776 ?
O2 Cr1 O3 93.51(8) . . ?
O2 Cr1 O5 176.94(8) . . ?
O3 Cr1 O5 88.70(8) . . ?
O2 Cr1 O1 86.62(7) . . ?
O3 Cr1 O1 85.11(7) . . ?
O5 Cr1 O1 95.69(8) . . ?
O2 Cr1 O4 88.81(8) . . ?
O3 Cr1 O4 177.68(8) . . ?
O5 Cr1 O4 88.99(8) . . ?
O1 Cr1 O4 94.95(8) . . ?
O2 Cr1 N1 83.21(9) . . ?
O3 Cr1 N1 83.83(8) . . ?
O5 Cr1 N1 94.93(10) . . ?
O1 Cr1 N1 164.46(9) . . ?
O4 Cr1 N1 96.54(9) . . ?
O2 Cr1 Dy1 100.87(5) . . ?
O3 Cr1 Dy1 40.76(5) . . ?
O5 Cr1 Dy1 82.19(6) . . ?
O1 Cr1 Dy1 46.45(5) . . ?
O4 Cr1 Dy1 138.60(6) . . ?
N1 Cr1 Dy1 124.40(7) . . ?
O2 Cr1 Dy1 37.93(5) . 2_776 ?
O3 Cr1 Dy1 92.40(5) . 2_776 ?
O5 Cr1 Dy1 144.15(7) . 2_776 ?
O1 Cr1 Dy1 48.83(5) . 2_776 ?
O4 Cr1 Dy1 89.38(6) . 2_776 ?
N1 Cr1 Dy1 120.82(8) . 2_776 ?
Dy1 Cr1 Dy1 75.649(9) . 2_776 ?
C19 O1 Cr1 120.89(18) . . ?
C19 O1 Dy1 114.45(15) . . ?
Cr1 O1 Dy1 97.72(7) . . ?
C19 O1 Dy1 114.40(15) . 2_776 ?
Cr1 O1 Dy1 96.12(7) . 2_776 ?
Dy1 O1 Dy1 110.93(7) . 2_776 ?
C5' N1 C2 106.3(4) . . ?
C5' N1 C3 107.9(3) . . ?
C2 N1 C3 112.4(3) . . ?
C5' N1 C5 18.6(3) . . ?
C2 N1 C5 117.5(3) . . ?
C3 N1 C5 113.1(3) . . ?
C5' N1 Cr1 122.3(3) . . ?
C2 N1 Cr1 102.68(16) . . ?
C3 N1 Cr1 105.29(15) . . ?
C5 N1 Cr1 104.1(3) . . ?
O2 C1 C2 109.6(3) . . ?
O2 C1 H4A 109.7 . . ?
C2 C1 H4A 109.7 . . ?
O2 C1 H4B 109.7 . . ?
C2 C1 H4B 109.7 . . ?
H4A C1 H4B 108.2 . . ?
C1 O2 Cr1 116.83(17) . . ?
C1 O2 Dy1 132.74(17) . 2_776 ?
Cr1 O2 Dy1 110.37(7) . 2_776 ?
O10 N2 O8 122.6(2) . . ?
O10 N2 O9 120.7(3) . . ?
O8 N2 O9 116.8(2) . . ?
O10 N2 Dy1 174.8(2) . . ?
O8 N2 Dy1 61.74(13) . . ?
O9 N2 Dy1 55.14(13) . . ?
N1 C2 C1 110.0(2) . . ?
N1 C2 H12A 109.7 . . ?
C1 C2 H12A 109.7 . . ?
N1 C2 H12B 109.7 . . ?
C1 C2 H12B 109.7 . . ?
H12A C2 H12B 108.2 . . ?
C4 O3 Cr1 109.32(14) . . ?
C4 O3 Dy1 132.91(15) . . ?
Cr1 O3 Dy1 105.21(7) . . ?
N1 C3 C4 108.5(2) . . ?
N1 C3 H9A 110.0 . . ?
C4 C3 H9A 110.0 . . ?
N1 C3 H9B 110.0 . . ?
C4 C3 H9B 110.0 . . ?
H9A C3 H9B 108.4 . . ?
C10 O4 Cr1 128.1(2) . . ?
O3 C4 C3 106.6(2) . . ?
O3 C4 H3A 110.4 . . ?
C3 C4 H3A 110.4 . . ?
O3 C4 H3B 110.4 . . ?
C3 C4 H3B 110.4 . . ?
H3A C4 H3B 108.6 . . ?
C12 O5 Cr1 128.5(2) . . ?
C6 C5 N1 109.2(5) . . ?
C6 C5 H15A 109.8 . . ?
N1 C5 H15A 109.8 . . ?
C6 C5 H15B 109.8 . . ?
N1 C5 H15B 109.8 . . ?
H15A C5 H15B 108.3 . . ?
C15 O6 Dy1 135.42(18) . . ?
C7 C6 C5 109.6(6) . . ?
C7 C6 H6A 109.8 . . ?
C5 C6 H6A 109.8 . . ?
C7 C6 H6B 109.8 . . ?
C5 C6 H6B 109.8 . . ?
H6A C6 H6B 108.2 . . ?
C17 O7 Dy1 136.67(18) . . ?
C6 C7 C8 112.4(7) . . ?
C6 C7 H23A 109.1 . . ?
C8 C7 H23A 109.1 . . ?
C6 C7 H23B 109.1 . . ?
C8 C7 H23B 109.1 . . ?
H23A C7 H23B 107.9 . . ?
N2 O8 Dy1 92.61(14) . . ?
N2 O9 Dy1 98.91(16) . . ?
C10 C9 H17A 109.5 . . ?
C10 C9 H17B 109.5 . . ?
H17A C9 H17B 109.5 . . ?
C10 C9 H17C 109.5 . . ?
H17A C9 H17C 109.5 . . ?
H17B C9 H17C 109.5 . . ?
O4 C10 C11 124.2(3) . . ?
O4 C10 C9 115.3(3) . . ?
C11 C10 C9 120.5(3) . . ?
C12 C11 C10 124.4(3) . . ?
C12 C11 H21 117.8 . . ?
C10 C11 H21 117.8 . . ?
O5 C12 C11 125.0(3) . . ?
O5 C12 C13 114.4(3) . . ?
C11 C12 C13 120.5(3) . . ?
C12 C13 H16A 109.5 . . ?
C12 C13 H16B 109.5 . . ?
H16A C13 H16B 109.5 . . ?
C12 C13 H16C 109.5 . . ?
H16A C13 H16C 109.5 . . ?
H16B C13 H16C 109.5 . . ?
C15 C14 H10A 109.5 . . ?
C15 C14 H10B 109.5 . . ?
H10A C14 H10B 109.5 . . ?
C15 C14 H10C 109.5 . . ?
H10A C14 H10C 109.5 . . ?
H10B C14 H10C 109.5 . . ?
O6 C15 C16 124.5(3) . . ?
O6 C15 C14 116.3(3) . . ?
C16 C15 C14 119.2(3) . . ?
C17 C16 C15 123.9(3) . . ?
C17 C16 H5 118.1 . . ?
C15 C16 H5 118.1 . . ?
O7 C17 C16 124.7(3) . . ?
O7 C17 C18 115.4(3) . . ?
C16 C17 C18 119.9(3) . . ?
C17 C18 H11A 109.5 . . ?
C17 C18 H11B 109.5 . . ?
H11A C18 H11B 109.5 . . ?
C17 C18 H11C 109.5 . . ?
H11A C18 H11C 109.5 . . ?
H11B C18 H11C 109.5 . . ?
O1 C19 H7A 109.5 . . ?
O1 C19 H7B 109.5 . . ?
H7A C19 H7B 109.5 . . ?
O1 C19 H7C 109.5 . . ?
H7A C19 H7C 109.5 . . ?
H7B C19 H7C 109.5 . . ?
N1 C5' C6' 122.8(5) . . ?
N1 C5' H22A 106.6 . . ?
C6' C5' H22A 106.6 . . ?
N1 C5' H22B 106.6 . . ?
C6' C5' H22B 106.6 . . ?
H22A C5' H22B 106.6 . . ?
C7' C6' C5' 112.1(5) . . ?
C7' C6' H6'1 109.2 . . ?
C5' C6' H6'1 109.2 . . ?
C7' C6' H6'2 109.2 . . ?
C5' C6' H6'2 109.2 . . ?
H6'1 C6' H6'2 107.9 . . ?
C8' C7' C6' 113.8(5) . . ?
C8' C7' H18A 108.8 . . ?
C6' C7' H18A 108.8 . . ?
C8' C7' H18B 108.8 . . ?
C6' C7' H18B 108.8 . . ?
H18A C7' H18B 107.7 . . ?
C7' C8' H1A 109.5 . . ?
C7' C8' H1B 109.5 . . ?
H1A C8' H1B 109.5 . . ?
C7' C8' H1C 109.5 . . ?
H1A C8' H1C 109.5 . . ?
H1B C8' H1C 109.5 . . ?

_diffrn_measured_fraction_theta_max 0.968
_diffrn_reflns_theta_full        27.50
_diffrn_measured_fraction_theta_full 0.968
_refine_diff_density_max         0.865
_refine_diff_density_min         -1.386
_refine_diff_density_rms         0.083
_database_code_depnum_ccdc_archive 'CCDC 999243'
