# Electronic Supplementary Material (ESI) for Dalton Transactions.
# This journal is © The Royal Society of Chemistry 2020

####################################################################### 
# 
# This file contains crystal structure data downloaded from the 
# Cambridge Structural Database (CSD) hosted by the Cambridge 
# Crystallographic Data Centre (CCDC).
# 
# Full information about CCDC data access policies and citation 
# guidelines are available at http://www.ccdc.cam.ac.uk/access/V1 
# 
# Audit and citation data items may have been added by the CCDC. 
# Please retain this information to preserve the provenance of 
# this file and to allow appropriate attribution of the data. 
# 
#######################################################################

data_exp_3468
_database_code_depnum_ccdc_archive 'CCDC 1962484'
loop_
_audit_author_name
_audit_author_address
'Hui-Jie Lun' 'xiamen university'
_audit_update_record             
;
2020-01-21 deposited with the CCDC.	2020-02-07 downloaded from the CCDC.
;
_audit_creation_date             2020-01-16
_audit_creation_method           
;
Olex2 1.2-beta
(compiled 2018.05.29 svn.r3508 for OlexSys, GUI svn.r5506)
;
_shelx_SHELXL_version_number     2014/7
_chemical_name_common            ?
_chemical_name_systematic        ?
_chemical_formula_moiety         'C18 H38 Co2 Dy3 N4 Na O32, H2 O'
_chemical_formula_sum            'C18 H40 Co2 Dy3 N4 Na O33'
_chemical_formula_weight         1468.89
_chemical_absolute_configuration ?
_chemical_melting_point          ?
loop_
_atom_type_symbol
_atom_type_description
_atom_type_scat_dispersion_real
_atom_type_scat_dispersion_imag
_atom_type_scat_source
C C 0.0181 0.0091 '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'
Co Co -2.3653 3.6143 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Dy Dy -9.8046 9.8477 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
N N 0.0311 0.0180 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Na Na 0.1353 0.1239 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
O O 0.0492 0.0322 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'

_shelx_space_group_comment       
;
The symmetry employed for this shelxl refinement is uniquely defined
by the following loop, which should always be used as a source of
symmetry information in preference to the above space-group names.
They are only intended as comments.
;
_space_group_crystal_system      tetragonal
_space_group_IT_number           110
_space_group_name_H-M_alt        'I 41 c d'
_space_group_name_Hall           'I 4bw -2c'
loop_
_space_group_symop_operation_xyz
'x, y, z'
'-x+1/2, -y+1/2, z+1/2'
'-y, x+1/2, z+1/4'
'y+1/2, -x, z+3/4'
'x, -y, z+1/2'
'-x+1/2, y+1/2, z'
'-y, -x+1/2, z+3/4'
'y+1/2, x, z+1/4'
'x+1/2, y+1/2, z+1/2'
'-x+1, -y+1, z+1'
'-y+1/2, x+1, z+3/4'
'y+1, -x+1/2, z+5/4'
'x+1/2, -y+1/2, z+1'
'-x+1, y+1, z+1/2'
'-y+1/2, -x+1, z+5/4'
'y+1, x+1/2, z+3/4'

_cell_length_a                   25.3027(2)
_cell_length_b                   25.3027(2)
_cell_length_c                   25.8582(3)
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_volume                     16555.1(3)
_cell_formula_units_Z            16
_cell_measurement_reflns_used    10927
_cell_measurement_temperature    100.01(10)
_cell_measurement_theta_max      75.9450
_cell_measurement_theta_min      3.4920
_shelx_estimated_absorpt_T_max   ?
_shelx_estimated_absorpt_T_min   ?
_exptl_absorpt_coefficient_mu    35.702
_exptl_absorpt_correction_T_max  1.00000
_exptl_absorpt_correction_T_min  0.75946
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   
;
CrysAlisPro 1.171.39.46 (Rigaku Oxford Diffraction, 2018)
Empirical absorption correction using spherical harmonics,
 implemented in SCALE3 ABSPACK scaling algorithm.
;
_exptl_absorpt_special_details   ?
_exptl_crystal_colour            'greenish violet'
_exptl_crystal_colour_modifier   greenish
_exptl_crystal_colour_primary    violet
_exptl_crystal_density_diffrn    2.357
_exptl_crystal_density_meas      ?
_exptl_crystal_density_method    ?
_exptl_crystal_description       block
_exptl_crystal_F_000             11248
_exptl_crystal_size_max          ?
_exptl_crystal_size_mid          ?
_exptl_crystal_size_min          ?
_exptl_transmission_factor_max   ?
_exptl_transmission_factor_min   ?
_diffrn_reflns_av_R_equivalents  0.0306
_diffrn_reflns_av_unetI/netI     0.0316
_diffrn_reflns_Laue_measured_fraction_full 0.999
_diffrn_reflns_Laue_measured_fraction_max 0.998
_diffrn_reflns_limit_h_max       29
_diffrn_reflns_limit_h_min       -30
_diffrn_reflns_limit_k_max       30
_diffrn_reflns_limit_k_min       -20
_diffrn_reflns_limit_l_max       31
_diffrn_reflns_limit_l_min       -28
_diffrn_reflns_number            22488
_diffrn_reflns_point_group_measured_fraction_full 0.930
_diffrn_reflns_point_group_measured_fraction_max 0.923
_diffrn_reflns_theta_full        67.684
_diffrn_reflns_theta_max         69.991
_diffrn_reflns_theta_min         3.494
_diffrn_ambient_environment      N~2~
_diffrn_ambient_temperature      100.01(10)
_diffrn_detector                 'CCD plate'
_diffrn_detector_area_resol_mean ?
_diffrn_detector_type            HyPix
_diffrn_measured_fraction_theta_full 0.999
_diffrn_measured_fraction_theta_max 0.998
_diffrn_measurement_details      
;
List of Runs (angles in degrees, time in seconds):

  # Type    Start    End  Width  tₑₓₚ   ω     θ     κ     φ   Frames
#--------------------------------------------------------------------------
  1  ω    -68.00  23.00   1.00    4.00    --  -46.75  72.00 -50.00   91
  2  ω   -118.00 -79.00   1.00    4.00    --  -46.75-125.00 -60.00   39
  3  ω   -158.00-131.00   1.00   12.00    --  -88.50-118.00 105.00   27
  4  ω     35.00  78.00   1.00   12.00    --  107.31-125.00  60.00   43
  5  ω     38.00  85.00   1.00   12.00    --  107.31 -94.00   0.00   47
  6  ω     93.00 178.00   1.00   12.00    --  107.31  45.00  60.00   85
  7  ω     86.00 177.00   1.00   12.00    --  107.31  72.00 -50.00   91
;
_diffrn_measurement_device       'four-circle diffractometer'
_diffrn_measurement_device_type  'XtaLAB Synergy, Dualflex, HyPix'
_diffrn_measurement_method       'ω scans'
_diffrn_orient_matrix_type       
'CrysAlisPro convention (1999,Acta A55,543-557)'
_diffrn_orient_matrix_UB_11      0.0517302000
_diffrn_orient_matrix_UB_12      -0.0244312000
_diffrn_orient_matrix_UB_13      -0.0204587000
_diffrn_orient_matrix_UB_21      -0.0311276000
_diffrn_orient_matrix_UB_22      -0.0279987000
_diffrn_orient_matrix_UB_23      -0.0432578000
_diffrn_orient_matrix_UB_31      0.0081514000
_diffrn_orient_matrix_UB_32      0.0482044000
_diffrn_orient_matrix_UB_33      -0.0354714000
_diffrn_radiation_monochromator  mirror
_diffrn_radiation_probe          x-ray
_diffrn_radiation_type           CuK\a
_diffrn_radiation_wavelength     1.54184
_diffrn_source                   'micro-focus sealed X-ray tube'
_diffrn_source_type              'PhotonJet (Cu) X-ray Source'
_reflns_Friedel_coverage         0.806
_reflns_Friedel_fraction_full    0.859
_reflns_Friedel_fraction_max     0.845
_reflns_number_gt                6755
_reflns_number_total             7245
_reflns_odcompleteness_completeness 99.88
_reflns_odcompleteness_iscentric 1
_reflns_odcompleteness_theta     66.97
_reflns_special_details          
;
 Reflections were merged by SHELXL according to the crystal
 class for the calculation of statistics and refinement.
 
 _reflns_Friedel_fraction is defined as the number of unique
 Friedel pairs measured divided by the number that would be
 possible theoretically, ignoring centric projections and
 systematic absences.
;
_reflns_threshold_expression     'I > 2σ(I)'
_computing_cell_refinement       'CrysAlisPro 1.171.39.46 (Rigaku OD, 2018)'
_computing_data_collection       'CrysAlisPro 1.171.39.46 (Rigaku OD, 2018)'
_computing_data_reduction        'CrysAlisPro 1.171.39.46 (Rigaku OD, 2018)'
_computing_molecular_graphics    'Olex2 (Dolomanov et al., 2009)'
_computing_publication_material  'Olex2 (Dolomanov et al., 2009)'
_computing_structure_refinement  'ShelXL (Sheldrick, 2015)'
_computing_structure_solution    'ShelXT (Sheldrick, 2015)'
_refine_diff_density_max         1.482
_refine_diff_density_min         -1.255
_refine_diff_density_rms         0.151
_refine_ls_abs_structure_details 
;
 Flack x determined using 2770 quotients [(I+)-(I-)]/[(I+)+(I-)]
 (Parsons, Flack and Wagner, Acta Cryst. B69 (2013) 249-259).
;
_refine_ls_abs_structure_Flack   0.008(4)
_refine_ls_extinction_coef       0.0000048(18)
_refine_ls_extinction_expression Fc^*^=kFc[1+0.001xFc²λ³/sin(2θ)]^-1/4^
_refine_ls_extinction_method     'SHELXL-2014/7 (Sheldrick 2014'
_refine_ls_goodness_of_fit_ref   1.117
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     582
_refine_ls_number_reflns         7245
_refine_ls_number_restraints     733
_refine_ls_R_factor_all          0.0426
_refine_ls_R_factor_gt           0.0363
_refine_ls_restrained_S_all      1.097
_refine_ls_shift/su_max          0.008
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details     
'w=1/[σ²(Fo²)+(0.0471P)²+257.9985P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0927
_refine_ls_wR_factor_ref         0.1044
_refine_special_details          ?
_olex2_refinement_description    
;
1. Fixed Uiso
 At 1.2 times of:
  All C(H,H) groups, All O(H) groups
 At 1.5 times of:
  All C(H,H,H) groups, All O(H,H) groups
2. Restrained distances
 C8-C9
 1.48 with sigma of 0.02
 C15-C14
 1.48 with sigma of 0.02
 C15-C14 \\sim C9-C8 \\sim C3-C2 \\sim C6-C5 \\sim C18-C17 \\sim C12-C11
 with sigma of 0.01
 C11-C10 \\sim C14-C13 \\sim C17-C16 \\sim C5-C4 \\sim C2-C1 \\sim C8-C7
 with sigma of 0.01
 C11-C10 \\sim C12-C11
 with sigma of 0.005
3. Rigid bond restraints
 All non-hydrogen atoms
 with sigma for 1-2 distances of 0.01 and sigma for 1-3 distances of 0.01
 O2W
 with sigma for 1-2 distances of 0.001 and sigma for 1-3 distances of 0.002
4. Uiso/Uaniso restraints and constraints
All non-hydrogen atoms have similar U: within 2A with sigma of 0.01 and sigma
for terminal atoms of 0.001
O2W: within 2A with sigma of 0.001 and sigma for terminal atoms of 0.002
5. Others
 Fixed Sof: O29'(0.5) O30'(0.5) N4'(0.5) N4(0.5) O29(0.5) O30(0.5)
6.a Free rotating group:
 O2W(H2WA,H2WB)
6.b Rotating group:
 O1W(H1WA,H1WB)
6.c Ternary CH refined with riding coordinates:
 O4(H4), O6(H6), O1(H1), O5(H5), O2(H2), O3(H3)
6.d Secondary CH2 refined with riding coordinates:
 C17(H17A,H17B), C2(H2A,H2B), C14(H14A,H14B), C5(H5A,H5B), C11(H11A,H11B),
 C8(H8A,H8B)
6.e Me refined with riding coordinates:
 C6(H6A,H6B,H6C), C18(H18A,H18B,H18C), C3(H3A,H3B,H3C), C15(H15A,H15B,H15C),
 C12(H12A,H12B,H12C), C9(H9A,H9B,H9C)
;
_atom_sites_solution_hydrogens   mixed
_atom_sites_solution_primary     dual
_atom_sites_solution_secondary   ?
loop_
_atom_site_label
_atom_site_type_symbol
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_U_iso_or_equiv
_atom_site_adp_type
_atom_site_occupancy
_atom_site_site_symmetry_order
_atom_site_calc_flag
_atom_site_refinement_flags_posn
_atom_site_refinement_flags_adp
_atom_site_refinement_flags_occupancy
_atom_site_disorder_assembly
_atom_site_disorder_group
Dy1 Dy 0.67820(3) 0.30116(3) 0.51083(3) 0.02003(18) Uani 1 1 d . U . . .
Dy2 Dy 0.54893(3) 0.37144(3) 0.56558(3) 0.02130(18) Uani 1 1 d . U . . .
Dy3 Dy 0.61956(3) 0.42851(3) 0.44218(3) 0.02225(18) Uani 1 1 d . U . . .
Co2 Co 0.67177(7) 0.42385(7) 0.56233(8) 0.0177(4) Uani 1 1 d . U . . .
Co1 Co 0.55967(8) 0.30853(8) 0.45074(8) 0.0208(4) Uani 1 1 d . U . . .
Na1 Na 0.7391(2) 0.4930(2) 0.6315(2) 0.0300(11) Uani 1 1 d . U . . .
O4 O 0.6884(3) 0.3949(3) 0.4969(3) 0.0194(14) Uani 1 1 d . U . . .
H4 H 0.7238 0.4046 0.4849 0.023 Uiso 1 1 calc R . . . .
O20 O 0.6710(4) 0.2381(4) 0.5823(4) 0.0312(19) Uani 1 1 d . U . . .
O8 O 0.5743(3) 0.2382(4) 0.4269(3) 0.0253(17) Uani 1 1 d . U . . .
O27 O 0.4658(4) 0.4021(4) 0.6137(4) 0.0287(18) Uani 1 1 d . U . . .
O15 O 0.6564(4) 0.4524(3) 0.6293(4) 0.0248(17) Uani 1 1 d . U . . .
O19 O 0.7362(4) 0.2198(4) 0.5309(4) 0.0292(18) Uani 1 1 d . U . . .
O6 O 0.6048(3) 0.4399(3) 0.5332(3) 0.0203(14) Uani 1 1 d . U . . .
H6 H 0.5923 0.4754 0.5421 0.024 Uiso 1 1 calc R . . . .
O17 O 0.6997(3) 0.4926(3) 0.5482(3) 0.0231(16) Uani 1 1 d . U . . .
O25 O 0.4864(4) 0.4414(4) 0.5423(4) 0.032(2) Uani 1 1 d . U . . .
O1 O 0.6289(3) 0.3336(3) 0.4381(3) 0.0216(15) Uani 1 1 d . U . . .
H1 H 0.6431 0.3214 0.4049 0.026 Uiso 1 1 calc R . . . .
O22 O 0.5447(4) 0.3118(4) 0.6368(4) 0.035(2) Uani 1 1 d . U . . .
O5 O 0.6426(3) 0.3567(3) 0.5769(3) 0.0199(15) Uani 1 1 d . U . . .
H5 H 0.6514 0.3442 0.6117 0.024 Uiso 1 1 calc R . . . .
O7 O 0.6542(4) 0.2281(4) 0.4615(4) 0.0272(18) Uani 1 1 d . U . . .
O9 O 0.5359(4) 0.3214(4) 0.3818(4) 0.0279(18) Uani 1 1 d . U . . .
O13 O 0.7400(3) 0.4093(4) 0.5900(4) 0.0243(17) Uani 1 1 d . U . . .
O2 O 0.5833(3) 0.2946(3) 0.5193(3) 0.0213(15) Uani 1 1 d . U . . .
H2 H 0.5711 0.2607 0.5332 0.026 Uiso 1 1 calc R . . . .
O18 O 0.6690(4) 0.5033(4) 0.4675(4) 0.0315(19) Uani 1 1 d . U . . .
O14 O 0.7525(4) 0.3274(4) 0.5586(4) 0.034(2) Uani 1 1 d . U . . .
O1W O 0.7460(4) 0.3028(4) 0.4469(4) 0.034(2) Uani 1 1 d . U . . .
H1WA H 0.7599 0.2718 0.4434 0.051 Uiso 1 1 d GR . . . .
H1WB H 0.7723 0.3222 0.4574 0.051 Uiso 1 1 d GR . . . .
O12 O 0.4763(4) 0.3198(4) 0.5409(4) 0.0301(19) Uani 1 1 d . U . . .
O26 O 0.4135(4) 0.4619(4) 0.5825(4) 0.0323(16) Uani 1 1 d . U . . .
O16 O 0.5723(4) 0.4231(4) 0.6367(4) 0.033(2) Uani 1 1 d . U . . .
O11 O 0.4892(4) 0.2829(4) 0.4636(4) 0.0291(18) Uani 1 1 d . U . . .
N3 N 0.4542(5) 0.4350(5) 0.5801(5) 0.0317(16) Uani 1 1 d . U . . .
O10 O 0.5716(4) 0.4016(4) 0.3689(4) 0.036(2) Uani 1 1 d . U . . .
N1 N 0.7083(5) 0.2065(5) 0.5694(5) 0.0355(17) Uani 1 1 d . U . . .
O3 O 0.5452(3) 0.3783(4) 0.4738(3) 0.0231(15) Uani 1 1 d . U . . .
H3 H 0.5112 0.3917 0.4613 0.028 Uiso 1 1 calc R . . . .
O31 O 0.6907(4) 0.4179(4) 0.3826(4) 0.034(2) Uani 1 1 d . U . A 1
O24 O 0.6223(5) 0.3202(5) 0.6747(5) 0.0489(18) Uani 1 1 d . U . . .
O21 O 0.7177(4) 0.1653(4) 0.5938(4) 0.0362(17) Uani 1 1 d . U . . .
O29' O 0.7001(6) 0.4733(7) 0.3039(7) 0.023(2) Uani 0.5 1 d . U P A 1
O28 O 0.5523(4) 0.4959(4) 0.4451(6) 0.046(2) Uani 1 1 d . U . A 2
C1 C 0.6172(5) 0.2124(5) 0.4341(5) 0.026(2) Uani 1 1 d D U . . .
N2 N 0.5727(6) 0.3053(6) 0.6768(6) 0.0484(17) Uani 1 1 d . U . . .
O23 O 0.5550(5) 0.2851(5) 0.7152(5) 0.0482(18) Uani 1 1 d . U . . .
C16 C 0.6946(5) 0.5193(4) 0.5068(6) 0.028(2) Uani 1 1 d D U . . .
C13 C 0.6114(6) 0.4481(6) 0.6531(5) 0.033(3) Uani 1 1 d D U . . .
C7 C 0.4623(5) 0.2922(6) 0.5039(6) 0.033(3) Uani 1 1 d D U . . .
C17 C 0.7166(7) 0.5740(5) 0.5079(9) 0.055(3) Uani 1 1 d D U . . .
H17A H 0.7289 0.5816 0.5426 0.066 Uiso 1 1 calc R . . . .
H17B H 0.7470 0.5755 0.4850 0.066 Uiso 1 1 calc R . . . .
C10 C 0.7677(5) 0.3680(6) 0.5827(6) 0.035(3) Uani 1 1 d D U . . .
C4 C 0.5461(6) 0.3625(6) 0.3537(5) 0.035(3) Uani 1 1 d D U . . .
C2 C 0.6216(6) 0.1606(6) 0.4061(8) 0.053(3) Uani 1 1 d D U . . .
H2A H 0.6041 0.1336 0.4265 0.063 Uiso 1 1 calc R . . . .
H2B H 0.6028 0.1634 0.3735 0.063 Uiso 1 1 calc R . . . .
C14 C 0.6097(8) 0.4772(8) 0.7034(6) 0.062(4) Uani 1 1 d D U . . .
H14A H 0.6446 0.4761 0.7189 0.075 Uiso 1 1 calc R . . . .
H14B H 0.6012 0.5139 0.6966 0.075 Uiso 1 1 calc R . . . .
O30' O 0.6358(9) 0.4905(9) 0.3660(9) 0.032(3) Uani 0.5 1 d . U P A 1
C5 C 0.5244(7) 0.3608(9) 0.2997(5) 0.058(3) Uani 1 1 d D U . . .
H5A H 0.5116 0.3254 0.2926 0.069 Uiso 1 1 calc R . . . .
H5B H 0.4947 0.3848 0.2973 0.069 Uiso 1 1 calc R . . . .
N4' N 0.6750(8) 0.4619(9) 0.3489(8) 0.024(2) Uani 0.5 1 d . U P A 1
N4 N 0.5754(11) 0.5206(11) 0.3986(13) 0.048(3) Uani 0.5 1 d . U P A 2
C11 C 0.8230(7) 0.3698(7) 0.6019(11) 0.075(4) Uani 1 1 d D U . . .
H11A H 0.8449 0.3868 0.5761 0.090 Uiso 1 1 calc R . . . .
H11B H 0.8242 0.3911 0.6330 0.090 Uiso 1 1 calc R . . . .
C8 C 0.4094(7) 0.2664(10) 0.5090(8) 0.071(4) Uani 1 1 d D U . . .
H8A H 0.4115 0.2428 0.5385 0.085 Uiso 1 1 calc R . . . .
H8B H 0.3844 0.2939 0.5181 0.085 Uiso 1 1 calc R . . . .
O2W O 0.7318(11) 0.5373(9) 0.3778(10) 0.130(9) Uani 1 1 d . U . . .
H2WA H 0.7129 0.5472 0.3524 0.194 Uiso 1 1 d G . . . .
H2WB H 0.7487 0.5107 0.3665 0.194 Uiso 1 1 d G . . . .
O29 O 0.5549(9) 0.5672(9) 0.3888(11) 0.049(3) Uani 0.5 1 d . U P A 2
C6 C 0.5636(7) 0.3752(8) 0.2605(6) 0.058(3) Uani 1 1 d D U . . .
H6A H 0.5477 0.3735 0.2268 0.088 Uiso 1 1 calc R . . . .
H6B H 0.5759 0.4105 0.2668 0.088 Uiso 1 1 calc R . . . .
H6C H 0.5928 0.3511 0.2621 0.088 Uiso 1 1 calc R . . . .
C18 C 0.6793(7) 0.6153(6) 0.4925(9) 0.056(3) Uani 1 1 d D U . . .
H18A H 0.6964 0.6491 0.4942 0.084 Uiso 1 1 calc R . . . .
H18B H 0.6675 0.6088 0.4578 0.084 Uiso 1 1 calc R . . . .
H18C H 0.6495 0.6150 0.5155 0.084 Uiso 1 1 calc R . . . .
C3 C 0.6759(6) 0.1430(7) 0.3954(8) 0.053(3) Uani 1 1 d D U . . .
H3A H 0.6750 0.1098 0.3776 0.080 Uiso 1 1 calc R . . . .
H3B H 0.6934 0.1689 0.3743 0.080 Uiso 1 1 calc R . . . .
H3C H 0.6947 0.1390 0.4275 0.080 Uiso 1 1 calc R . . . .
C15 C 0.5716(8) 0.4562(9) 0.7401(7) 0.063(4) Uani 1 1 d D U . . .
H15A H 0.5727 0.4767 0.7713 0.095 Uiso 1 1 calc R . . . .
H15B H 0.5368 0.4580 0.7255 0.095 Uiso 1 1 calc R . . . .
H15C H 0.5802 0.4201 0.7478 0.095 Uiso 1 1 calc R . . . .
C12 C 0.8451(9) 0.3171(8) 0.6133(11) 0.076(4) Uani 1 1 d D U . . .
H12A H 0.8808 0.3209 0.6255 0.114 Uiso 1 1 calc R . . . .
H12B H 0.8241 0.3003 0.6395 0.114 Uiso 1 1 calc R . . . .
H12C H 0.8449 0.2960 0.5825 0.114 Uiso 1 1 calc R . . . .
C9 C 0.3860(8) 0.2364(10) 0.4668(8) 0.072(4) Uani 1 1 d D U . . .
H9A H 0.3522 0.2229 0.4774 0.108 Uiso 1 1 calc R . . . .
H9B H 0.3815 0.2590 0.4373 0.108 Uiso 1 1 calc R . . . .
H9C H 0.4088 0.2075 0.4579 0.108 Uiso 1 1 calc R . . . .
O30 O 0.6123(9) 0.5022(9) 0.3774(9) 0.036(3) Uani 0.5 1 d . U P A 2


_geom_special_details            
;
 All esds (except the esd in the dihedral angle between two l.s. planes)
 are estimated using the full covariance matrix.  The cell esds are taken
 into account individually in the estimation of esds in distances, angles
 and torsion angles; correlations between esds in cell parameters are only
 used when they are defined by crystal symmetry.  An approximate (isotropic)
 treatment of cell esds is used for estimating esds involving l.s. planes.
;
loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_site_symmetry_2
_geom_bond_publ_flag
Dy1 Co2 3.382(2) . ?
Dy1 Co1 3.383(2) . ?
Dy1 O4 2.413(9) . ?
Dy1 O20 2.450(9) . ?
Dy1 O19 2.580(10) . ?
Dy1 O1 2.401(9) . ?
Dy1 O5 2.387(8) . ?
Dy1 O7 2.327(8) . ?
Dy1 O2 2.417(8) . ?
Dy1 O14 2.346(9) . ?
Dy1 O1W 2.384(9) . ?
Dy1 N1 2.934(12) . ?
Dy2 Co2 3.3804(19) . ?
Dy2 Co1 3.380(2) . ?
Dy2 O27 2.563(9) . ?
Dy2 O6 2.388(8) . ?
Dy2 O25 2.450(10) . ?
Dy2 O22 2.382(10) . ?
Dy2 O5 2.418(8) . ?
Dy2 O2 2.444(8) . ?
Dy2 O12 2.343(9) . ?
Dy2 O16 2.332(10) . ?
Dy2 N3 2.912(11) . ?
Dy2 O3 2.381(9) . ?
Dy3 O4 2.400(8) . ?
Dy3 O6 2.401(9) . ?
Dy3 O1 2.417(9) . ?
Dy3 O18 2.361(9) . ?
Dy3 O10 2.352(10) . ?
Dy3 O3 2.414(9) . ?
Dy3 O31 2.385(10) . ?
Dy3 O28 2.409(10) . ?
Dy3 O30' 2.55(2) . ?
Dy3 N4' 2.92(2) . ?
Dy3 N4 2.82(3) . ?
Dy3 O30 2.51(2) . ?
Co2 Na1 3.026(5) . ?
Co2 O4 1.890(8) . ?
Co2 O15 1.915(9) . ?
Co2 O6 1.898(9) . ?
Co2 O17 1.912(9) . ?
Co2 O5 1.890(8) . ?
Co2 O13 1.904(9) . ?
Co1 Na1 3.024(5) 16_444 ?
Co1 O8 1.920(9) . ?
Co1 O1 1.891(8) . ?
Co1 O9 1.909(10) . ?
Co1 O2 1.903(9) . ?
Co1 O11 1.925(9) . ?
Co1 O3 1.898(9) . ?
Na1 Co1 3.024(5) 8 ?
Na1 O8 2.369(10) 8 ?
Na1 O15 2.331(10) . ?
Na1 O17 2.371(10) . ?
Na1 O9 2.349(10) 8 ?
Na1 O13 2.374(10) . ?
Na1 O11 2.398(10) 8 ?
O20 N1 1.281(16) . ?
O8 Na1 2.369(10) 16_444 ?
O8 C1 1.280(16) . ?
O27 N3 1.239(15) . ?
O15 C13 1.300(17) . ?
O19 N1 1.266(16) . ?
O17 C16 1.273(17) . ?
O25 N3 1.282(15) . ?
O22 N2 1.266(18) . ?
O7 C1 1.238(15) . ?
O9 Na1 2.349(10) 16_444 ?
O9 C4 1.293(18) . ?
O13 C10 1.273(17) . ?
O18 C16 1.272(16) . ?
O14 C10 1.263(17) . ?
O12 C7 1.238(17) . ?
O26 N3 1.235(15) . ?
O16 C13 1.248(17) . ?
O11 Na1 2.398(10) 16_444 ?
O11 C7 1.267(17) . ?
O10 C4 1.245(18) . ?
N1 O21 1.241(16) . ?
O31 N4' 1.47(2) . ?
O24 N2 1.31(2) . ?
O29' N4' 1.36(3) . ?
O28 N4 1.48(3) . ?
C1 C2 1.503(11) . ?
N2 O23 1.203(19) . ?
C16 C17 1.493(11) . ?
C13 C14 1.494(11) . ?
C7 C8 1.495(11) . ?
C17 C18 1.462(12) . ?
C10 C11 1.483(9) . ?
C4 C5 1.501(11) . ?
C2 C3 1.470(12) . ?
C14 C15 1.454(12) . ?
O30' N4' 1.30(3) . ?
C5 C6 1.464(13) . ?
N4 O29 1.31(4) . ?
N4 O30 1.18(4) . ?
C11 C12 1.475(10) . ?
C8 C9 1.456(12) . ?

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
Co2 Dy1 Co1 95.03(5) . . ?
O4 Dy1 Co2 33.0(2) . . ?
O4 Dy1 Co1 88.40(19) . . ?
O4 Dy1 O20 139.6(3) . . ?
O4 Dy1 O19 138.9(3) . . ?
O4 Dy1 O2 100.8(3) . . ?
O4 Dy1 N1 148.4(3) . . ?
O20 Dy1 Co2 107.3(2) . . ?
O20 Dy1 Co1 108.4(3) . . ?
O20 Dy1 O19 51.0(3) . . ?
O20 Dy1 N1 25.6(3) . . ?
O19 Dy1 Co2 132.9(2) . . ?
O19 Dy1 Co1 129.8(2) . . ?
O19 Dy1 N1 25.5(3) . . ?
O1 Dy1 Co2 88.3(2) . . ?
O1 Dy1 Co1 32.9(2) . . ?
O1 Dy1 O4 66.6(3) . . ?
O1 Dy1 O20 140.8(3) . . ?
O1 Dy1 O19 136.5(3) . . ?
O1 Dy1 O2 65.0(3) . . ?
O1 Dy1 N1 144.9(3) . . ?
O5 Dy1 Co2 32.9(2) . . ?
O5 Dy1 Co1 87.8(2) . . ?
O5 Dy1 O4 64.4(3) . . ?
O5 Dy1 O20 79.4(3) . . ?
O5 Dy1 O19 122.7(3) . . ?
O5 Dy1 O1 99.4(3) . . ?
O5 Dy1 O2 66.5(3) . . ?
O5 Dy1 N1 102.1(3) . . ?
O7 Dy1 Co2 158.8(2) . . ?
O7 Dy1 Co1 63.9(2) . . ?
O7 Dy1 O4 136.6(3) . . ?
O7 Dy1 O20 82.9(3) . . ?
O7 Dy1 O19 68.0(3) . . ?
O7 Dy1 O1 72.9(3) . . ?
O7 Dy1 O5 139.6(3) . . ?
O7 Dy1 O2 74.7(3) . . ?
O7 Dy1 O14 136.3(3) . . ?
O7 Dy1 O1W 79.7(3) . . ?
O7 Dy1 N1 72.7(3) . . ?
O2 Dy1 Co2 88.9(2) . . ?
O2 Dy1 Co1 33.3(2) . . ?
O2 Dy1 O20 79.2(3) . . ?
O2 Dy1 O19 119.4(3) . . ?
O2 Dy1 N1 98.9(3) . . ?
O14 Dy1 Co2 64.6(2) . . ?
O14 Dy1 Co1 159.5(2) . . ?
O14 Dy1 O4 73.4(3) . . ?
O14 Dy1 O20 81.2(4) . . ?
O14 Dy1 O19 70.4(3) . . ?
O14 Dy1 O1 137.1(3) . . ?
O14 Dy1 O5 76.1(3) . . ?
O14 Dy1 O2 140.2(3) . . ?
O14 Dy1 O1W 77.5(4) . . ?
O14 Dy1 N1 75.6(4) . . ?
O1W Dy1 Co2 106.9(3) . . ?
O1W Dy1 Co1 108.6(3) . . ?
O1W Dy1 O4 78.6(3) . . ?
O1W Dy1 O20 126.1(3) . . ?
O1W Dy1 O19 75.2(3) . . ?
O1W Dy1 O1 79.9(3) . . ?
O1W Dy1 O5 139.2(3) . . ?
O1W Dy1 O2 141.2(3) . . ?
O1W Dy1 N1 100.7(4) . . ?
N1 Dy1 Co2 123.9(3) . . ?
N1 Dy1 Co1 120.8(3) . . ?
Co1 Dy2 Co2 95.10(5) . . ?
O27 Dy2 Co2 130.3(2) . . ?
O27 Dy2 Co1 129.4(2) . . ?
O27 Dy2 N3 25.1(3) . . ?
O6 Dy2 Co2 33.1(2) . . ?
O6 Dy2 Co1 89.2(2) . . ?
O6 Dy2 O27 115.8(3) . . ?
O6 Dy2 O25 76.8(3) . . ?
O6 Dy2 O5 64.8(3) . . ?
O6 Dy2 O2 101.3(3) . . ?
O6 Dy2 N3 97.6(3) . . ?
O25 Dy2 Co2 107.7(2) . . ?
O25 Dy2 Co1 100.2(3) . . ?
O25 Dy2 O27 51.0(3) . . ?
O25 Dy2 N3 25.9(3) . . ?
O22 Dy2 Co2 108.0(2) . . ?
O22 Dy2 Co1 112.6(3) . . ?
O22 Dy2 O27 77.3(3) . . ?
O22 Dy2 O6 139.2(3) . . ?
O22 Dy2 O25 128.2(3) . . ?
O22 Dy2 O5 81.5(3) . . ?
O22 Dy2 O2 83.7(3) . . ?
O22 Dy2 N3 102.3(3) . . ?
O5 Dy2 Co2 33.1(2) . . ?
O5 Dy2 Co1 87.39(19) . . ?
O5 Dy2 O27 142.4(3) . . ?
O5 Dy2 O25 140.8(3) . . ?
O5 Dy2 O2 65.6(3) . . ?
O5 Dy2 N3 151.3(3) . . ?
O2 Dy2 Co2 88.45(19) . . ?
O2 Dy2 Co1 33.5(2) . . ?
O2 Dy2 O27 140.4(3) . . ?
O2 Dy2 O25 133.2(3) . . ?
O2 Dy2 N3 142.7(3) . . ?
O12 Dy2 Co2 158.9(2) . . ?
O12 Dy2 Co1 64.0(2) . . ?
O12 Dy2 O27 70.0(3) . . ?
O12 Dy2 O6 140.7(3) . . ?
O12 Dy2 O25 80.1(3) . . ?
O12 Dy2 O22 79.7(4) . . ?
O12 Dy2 O5 135.7(3) . . ?
O12 Dy2 O2 72.7(3) . . ?
O12 Dy2 N3 72.4(3) . . ?
O12 Dy2 O3 74.8(3) . . ?
O16 Dy2 Co2 64.3(2) . . ?
O16 Dy2 Co1 159.4(2) . . ?
O16 Dy2 O27 69.9(3) . . ?
O16 Dy2 O6 73.7(3) . . ?
O16 Dy2 O25 87.3(4) . . ?
O16 Dy2 O22 76.0(4) . . ?
O16 Dy2 O5 75.1(3) . . ?
O16 Dy2 O2 137.9(3) . . ?
O16 Dy2 O12 136.6(3) . . ?
O16 Dy2 N3 78.3(4) . . ?
O16 Dy2 O3 139.0(3) . . ?
N3 Dy2 Co2 122.9(2) . . ?
N3 Dy2 Co1 116.1(3) . . ?
O3 Dy2 Co2 89.0(2) . . ?
O3 Dy2 Co1 33.1(2) . . ?
O3 Dy2 O27 115.4(3) . . ?
O3 Dy2 O6 67.8(3) . . ?
O3 Dy2 O25 71.2(3) . . ?
O3 Dy2 O22 144.5(3) . . ?
O3 Dy2 O5 99.8(3) . . ?
O3 Dy2 O2 65.4(3) . . ?
O3 Dy2 N3 93.2(3) . . ?
O4 Dy3 O6 65.0(3) . . ?
O4 Dy3 O1 66.6(3) . . ?
O4 Dy3 O3 100.3(3) . . ?
O4 Dy3 O28 138.1(4) . . ?
O4 Dy3 O30' 123.8(5) . . ?
O4 Dy3 N4' 104.0(4) . . ?
O4 Dy3 N4 144.7(7) . . ?
O4 Dy3 O30 135.1(6) . . ?
O6 Dy3 O1 100.2(3) . . ?
O6 Dy3 O3 67.0(3) . . ?
O6 Dy3 O28 76.9(4) . . ?
O6 Dy3 O30' 135.1(6) . . ?
O6 Dy3 N4' 148.3(5) . . ?
O6 Dy3 N4 103.4(7) . . ?
O6 Dy3 O30 123.6(6) . . ?
O1 Dy3 O30' 124.2(6) . . ?
O1 Dy3 N4' 101.8(5) . . ?
O1 Dy3 N4 147.4(7) . . ?
O1 Dy3 O30 135.7(6) . . ?
O18 Dy3 O4 74.7(3) . . ?
O18 Dy3 O6 73.4(3) . . ?
O18 Dy3 O1 139.2(3) . . ?
O18 Dy3 O3 137.9(3) . . ?
O18 Dy3 O31 82.4(4) . . ?
O18 Dy3 O28 78.4(4) . . ?
O18 Dy3 O30' 68.7(6) . . ?
O18 Dy3 N4' 75.0(5) . . ?
O18 Dy3 N4 70.1(7) . . ?
O18 Dy3 O30 68.2(6) . . ?
O10 Dy3 O4 138.4(3) . . ?
O10 Dy3 O6 138.1(3) . . ?
O10 Dy3 O1 74.2(3) . . ?
O10 Dy3 O18 136.8(4) . . ?
O10 Dy3 O3 73.6(3) . . ?
O10 Dy3 O31 80.6(4) . . ?
O10 Dy3 O28 82.3(4) . . ?
O10 Dy3 O30' 68.8(6) . . ?
O10 Dy3 N4' 70.5(5) . . ?
O10 Dy3 N4 73.3(7) . . ?
O10 Dy3 O30 68.9(6) . . ?
O3 Dy3 O1 64.4(3) . . ?
O3 Dy3 O30' 135.3(5) . . ?
O3 Dy3 N4' 143.9(5) . . ?
O3 Dy3 N4 105.2(7) . . ?
O3 Dy3 O30 124.1(6) . . ?
O31 Dy3 O4 78.1(3) . . ?
O31 Dy3 O6 139.8(3) . . ?
O31 Dy3 O1 77.7(3) . . ?
O31 Dy3 O3 138.4(3) . . ?
O31 Dy3 O30' 56.6(6) . . ?
O31 Dy3 N4' 30.1(5) . . ?
O28 Dy3 O1 140.7(3) . . ?
O28 Dy3 O3 79.1(3) . . ?
O28 Dy3 N4 31.6(7) . . ?
O28 Dy3 O30 56.3(7) . . ?
O30' Dy3 N4' 26.5(7) . . ?
O30 Dy3 N4 24.7(9) . . ?
Dy2 Co2 Dy1 72.18(4) . . ?
Dy3 Co2 Dy1 71.86(4) . . ?
Dy3 Co2 Dy2 71.15(4) . . ?
Na1 Co2 Dy1 137.44(12) . . ?
Na1 Co2 Dy2 136.85(13) . . ?
Na1 Co2 Dy3 137.99(13) . . ?
O4 Co2 Dy1 44.1(3) . . ?
O4 Co2 Dy2 94.3(3) . . ?
O4 Co2 Dy3 43.7(3) . . ?
O4 Co2 Na1 128.9(3) . . ?
O4 Co2 O15 178.6(4) . . ?
O4 Co2 O6 85.8(4) . . ?
O4 Co2 O17 95.7(4) . . ?
O4 Co2 O13 93.4(4) . . ?
O15 Co2 Dy1 135.4(3) . . ?
O15 Co2 Dy2 86.5(3) . . ?
O15 Co2 Dy3 137.6(3) . . ?
O15 Co2 Na1 50.4(3) . . ?
O6 Co2 Dy1 94.8(3) . . ?
O6 Co2 Dy2 43.4(3) . . ?
O6 Co2 Dy3 43.8(3) . . ?
O6 Co2 Na1 127.8(3) . . ?
O6 Co2 O15 95.5(4) . . ?
O6 Co2 O17 93.4(4) . . ?
O6 Co2 O13 178.1(4) . . ?
O17 Co2 Dy1 137.9(3) . . ?
O17 Co2 Dy2 134.5(3) . . ?
O17 Co2 Dy3 86.4(3) . . ?
O17 Co2 Na1 51.6(3) . . ?
O17 Co2 O15 84.5(4) . . ?
O5 Co2 Dy1 43.3(3) . . ?
O5 Co2 Dy2 44.3(3) . . ?
O5 Co2 Dy3 93.5(3) . . ?
O5 Co2 Na1 128.5(3) . . ?
O5 Co2 O4 85.2(4) . . ?
O5 Co2 O15 94.6(4) . . ?
O5 Co2 O6 85.6(4) . . ?
O5 Co2 O17 178.6(4) . . ?
O5 Co2 O13 96.1(4) . . ?
O13 Co2 Dy1 85.8(3) . . ?
O13 Co2 Dy2 138.5(3) . . ?
O13 Co2 Dy3 135.0(3) . . ?
O13 Co2 Na1 51.7(3) . . ?
O13 Co2 O15 85.2(4) . . ?
O13 Co2 O17 84.9(4) . . ?
Dy1 Co1 Dy3 71.58(4) . . ?
Dy2 Co1 Dy1 72.17(4) . . ?
Dy2 Co1 Dy3 70.89(4) . . ?
Na1 Co1 Dy1 137.26(12) 16_444 . ?
Na1 Co1 Dy2 138.55(13) 16_444 . ?
Na1 Co1 Dy3 136.80(13) 16_444 . ?
O8 Co1 Dy1 85.7(3) . . ?
O8 Co1 Dy2 137.2(3) . . ?
O8 Co1 Dy3 136.1(3) . . ?
O8 Co1 Na1 51.6(3) . 16_444 ?
O8 Co1 O11 85.5(4) . . ?
O1 Co1 Dy1 43.7(3) . . ?
O1 Co1 Dy2 93.9(3) . . ?
O1 Co1 Dy3 43.7(3) . . ?
O1 Co1 Na1 127.5(3) . 16_444 ?
O1 Co1 O8 94.4(4) . . ?
O1 Co1 O9 94.2(4) . . ?
O1 Co1 O2 86.1(4) . . ?
O1 Co1 O11 179.9(5) . . ?
O1 Co1 O3 85.5(4) . . ?
O9 Co1 Dy1 135.8(3) . . ?
O9 Co1 Dy2 135.6(3) . . ?
O9 Co1 Dy3 85.8(3) . . ?
O9 Co1 Na1 51.0(3) . 16_444 ?
O9 Co1 O8 85.4(4) . . ?
O9 Co1 O11 85.8(4) . . ?
O2 Co1 Dy1 44.3(2) . . ?
O2 Co1 Dy2 45.1(3) . . ?
O2 Co1 Dy3 95.0(2) . . ?
O2 Co1 Na1 128.2(3) . 16_444 ?
O2 Co1 O8 93.8(4) . . ?
O2 Co1 O9 179.1(4) . . ?
O2 Co1 O11 93.9(4) . . ?
O11 Co1 Dy1 136.3(3) . . ?
O11 Co1 Dy2 86.1(3) . . ?
O11 Co1 Dy3 136.4(3) . . ?
O11 Co1 Na1 52.4(3) . 16_444 ?
O3 Co1 Dy1 94.5(3) . . ?
O3 Co1 Dy2 43.2(3) . . ?
O3 Co1 Dy3 43.7(3) . . ?
O3 Co1 Na1 128.2(3) . 16_444 ?
O3 Co1 O8 179.6(4) . . ?
O3 Co1 O9 94.2(4) . . ?
O3 Co1 O2 86.6(4) . . ?
O3 Co1 O11 94.6(4) . . ?
Co1 Na1 Co2 178.4(2) 8 . ?
O8 Na1 Co2 142.2(3) 8 . ?
O8 Na1 Co1 39.4(2) 8 8 ?
O8 Na1 O17 116.8(4) 8 . ?
O8 Na1 O13 177.1(4) 8 . ?
O8 Na1 O11 66.4(3) 8 8 ?
O15 Na1 Co2 39.3(2) . . ?
O15 Na1 Co1 141.4(3) . 8 ?
O15 Na1 O8 112.7(4) . 8 ?
O15 Na1 O17 66.4(3) . . ?
O15 Na1 O9 178.2(4) . 8 ?
O15 Na1 O13 66.7(3) . . ?
O15 Na1 O11 114.8(4) . 8 ?
O17 Na1 Co2 39.2(2) . . ?
O17 Na1 Co1 141.7(3) . 8 ?
O17 Na1 O13 65.8(3) . . ?
O17 Na1 O11 176.2(4) . 8 ?
O9 Na1 Co2 140.2(3) 8 . ?
O9 Na1 Co1 39.1(3) 8 8 ?
O9 Na1 O8 66.8(3) 8 8 ?
O9 Na1 O17 112.2(4) 8 . ?
O9 Na1 O13 113.9(4) 8 . ?
O9 Na1 O11 66.7(4) 8 8 ?
O13 Na1 Co2 39.0(2) . . ?
O13 Na1 Co1 139.4(3) . 8 ?
O13 Na1 O11 111.1(4) . 8 ?
O11 Na1 Co2 139.5(3) 8 . ?
O11 Na1 Co1 39.5(2) 8 8 ?
Dy3 O4 Dy1 111.0(3) . . ?
Co2 O4 Dy1 102.9(4) . . ?
Co2 O4 Dy3 103.3(4) . . ?
N1 O20 Dy1 98.9(8) . . ?
Co1 O8 Na1 89.0(4) . 16_444 ?
C1 O8 Co1 126.1(8) . . ?
C1 O8 Na1 144.4(8) . 16_444 ?
N3 O27 Dy2 93.4(7) . . ?
Co2 O15 Na1 90.4(4) . . ?
C13 O15 Co2 125.1(8) . . ?
C13 O15 Na1 144.3(8) . . ?
N1 O19 Dy1 93.1(7) . . ?
Dy2 O6 Dy3 110.4(3) . . ?
Co2 O6 Dy2 103.5(4) . . ?
Co2 O6 Dy3 103.0(4) . . ?
Co2 O17 Na1 89.2(4) . . ?
C16 O17 Co2 127.3(8) . . ?
C16 O17 Na1 143.5(8) . . ?
N3 O25 Dy2 97.6(7) . . ?
Dy1 O1 Dy3 110.9(3) . . ?
Co1 O1 Dy1 103.4(4) . . ?
Co1 O1 Dy3 103.6(4) . . ?
N2 O22 Dy2 133.7(10) . . ?
Dy1 O5 Dy2 112.0(3) . . ?
Co2 O5 Dy1 103.9(4) . . ?
Co2 O5 Dy2 102.7(4) . . ?
C1 O7 Dy1 140.0(8) . . ?
Co1 O9 Na1 89.9(4) . 16_444 ?
C4 O9 Co1 126.8(8) . . ?
C4 O9 Na1 143.3(8) . 16_444 ?
Co2 O13 Na1 89.3(4) . . ?
C10 O13 Co2 127.1(8) . . ?
C10 O13 Na1 143.6(8) . . ?
Dy1 O2 Dy2 110.0(3) . . ?
Co1 O2 Dy1 102.4(4) . . ?
Co1 O2 Dy2 101.4(4) . . ?
C16 O18 Dy3 138.3(8) . . ?
C10 O14 Dy1 137.3(9) . . ?
C7 O12 Dy2 138.5(9) . . ?
C13 O16 Dy2 138.9(9) . . ?
Co1 O11 Na1 88.1(4) . 16_444 ?
C7 O11 Co1 125.2(8) . . ?
C7 O11 Na1 146.7(8) . 16_444 ?
O27 N3 Dy2 61.5(6) . . ?
O27 N3 O25 117.8(11) . . ?
O25 N3 Dy2 56.5(6) . . ?
O26 N3 Dy2 175.5(10) . . ?
O26 N3 O27 122.2(11) . . ?
O26 N3 O25 119.9(11) . . ?
C4 O10 Dy3 138.7(9) . . ?
O20 N1 Dy1 55.6(6) . . ?
O19 N1 Dy1 61.4(6) . . ?
O19 N1 O20 116.8(11) . . ?
O21 N1 Dy1 175.8(11) . . ?
O21 N1 O20 122.2(12) . . ?
O21 N1 O19 121.1(12) . . ?
Dy2 O3 Dy3 110.2(3) . . ?
Co1 O3 Dy2 103.8(4) . . ?
Co1 O3 Dy3 103.4(4) . . ?
N4' O31 Dy3 95.3(10) . . ?
N4 O28 Dy3 89.7(12) . . ?
O8 C1 C2 115.9(11) . . ?
O7 C1 O8 124.0(11) . . ?
O7 C1 C2 120.0(12) . . ?
O22 N2 O24 117.6(14) . . ?
O23 N2 O22 121.5(15) . . ?
O23 N2 O24 120.9(15) . . ?
O17 C16 C17 116.1(13) . . ?
O18 C16 O17 123.7(10) . . ?
O18 C16 C17 120.0(13) . . ?
O15 C13 C14 113.3(12) . . ?
O16 C13 O15 125.1(11) . . ?
O16 C13 C14 121.5(13) . . ?
O12 C7 O11 126.1(11) . . ?
O12 C7 C8 115.6(13) . . ?
O11 C7 C8 118.3(13) . . ?
C18 C17 C16 114.6(13) . . ?
O13 C10 C11 116.5(13) . . ?
O14 C10 O13 125.0(11) . . ?
O14 C10 C11 118.4(13) . . ?
O9 C4 C5 115.3(13) . . ?
O10 C4 O9 124.4(12) . . ?
O10 C4 C5 120.2(14) . . ?
C3 C2 C1 115.0(13) . . ?
C15 C14 C13 114.1(14) . . ?
N4' O30' Dy3 92.5(14) . . ?
C6 C5 C4 113.1(15) . . ?
O31 N4' Dy3 54.5(8) . . ?
O29' N4' Dy3 175.1(17) . . ?
O29' N4' O31 122.8(18) . . ?
O30' N4' Dy3 60.9(12) . . ?
O30' N4' O31 115.1(18) . . ?
O30' N4' O29' 122(2) . . ?
O28 N4 Dy3 58.7(10) . . ?
O29 N4 Dy3 167(3) . . ?
O29 N4 O28 112(3) . . ?
O30 N4 Dy3 62.9(16) . . ?
O30 N4 O28 122(2) . . ?
O30 N4 O29 125(3) . . ?
C12 C11 C10 113.5(16) . . ?
C9 C8 C7 121.7(16) . . ?
N4 O30 Dy3 92.4(19) . . ?

_olex2_submission_special_instructions 'No special instructions were received'
_oxdiff_exptl_absorpt_empirical_details 
;
Empirical correction (ABSPACK) includes:
- Absorption correction using spherical harmonics
- Frame scaling
;
_oxdiff_exptl_absorpt_empirical_full_max 1.278
_oxdiff_exptl_absorpt_empirical_full_min 0.763


# start Validation Reply Form
_vrf_PLAT342_exp_3468            
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PROBLEM: Low Bond Precision on C-C Bonds ...............     0.0275 Ang.
RESPONSE:This is caused by the disorder of the propionate ligand.
;
_vrf_PLAT420_exp_3468            
;
PROBLEM: D-H Without Acceptor       O1W      --H1WA     .     Please Check
PROBLEM: D-H Without Acceptor       O3       --H3       .     Please Check
RESPONSE: The problem is caused by the disorder of guest H2O molecular.
;
# end Validation Reply Form
