# Electronic Supplementary Material (ESI) for Inorganic Chemistry Frontiers.
# This journal is © the Partner Organisations 2014

#######################################################################
#
#                 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
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# 
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#  data retrieval see:
#                         www.ccdc.cam.ac.uk
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#  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.
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data_Compound_1Eu

_audit_creation_method           SHELXL-97
_chemical_name_systematic        
; 
 ? 
;
_chemical_name_common            ?
_chemical_melting_point          ?
_chemical_formula_moiety         ?
_chemical_formula_sum            'C64 H94 Co2 Eu4 N8 O30'
_chemical_formula_weight         2181.17

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'
Co Co 0.3494 0.9721 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Eu Eu -0.1578 3.6682 '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                   11.579(5)
_cell_length_b                   13.984(6)
_cell_length_c                   15.517(7)
_cell_angle_alpha                76.066(17)
_cell_angle_beta                 68.290(16)
_cell_angle_gamma                70.713(18)
_cell_volume                     2183.0(17)
_cell_formula_units_Z            1
_cell_measurement_temperature    293(2)
_cell_measurement_reflns_used    5167
_cell_measurement_theta_min      2.7698
_cell_measurement_theta_max      27.5711

_exptl_crystal_description       Prism
_exptl_crystal_colour            'orange yellow'
_exptl_crystal_size_max          0.4000
_exptl_crystal_size_mid          0.1500
_exptl_crystal_size_min          0.1000
_exptl_crystal_density_meas      ?
_exptl_crystal_density_diffrn    1.659
_exptl_crystal_density_method    'not measured'
_exptl_crystal_F_000             1080
_exptl_absorpt_coefficient_mu    3.277
_exptl_absorpt_correction_type   Multi-scan
_exptl_absorpt_correction_T_min  0.8474
_exptl_absorpt_correction_T_max  1.0000
_exptl_absorpt_process_details   'CrystalClear (Rigaku Inc., 2007)'

_exptl_special_details           
; 
 ? 
;

_diffrn_ambient_temperature      293(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  'Mercury70 (2x2 bin mode)'
_diffrn_measurement_method       CCD_Profile_fitting
_diffrn_detector_area_resol_mean 14.6306
_diffrn_standards_number         ?
_diffrn_standards_interval_count ?
_diffrn_standards_interval_time  ?
_diffrn_standards_decay_%        ?
_diffrn_reflns_number            17096
_diffrn_reflns_av_R_equivalents  0.0301
_diffrn_reflns_av_unetI/netI     0.0406
_diffrn_reflns_limit_h_min       -13
_diffrn_reflns_limit_h_max       13
_diffrn_reflns_limit_k_min       -16
_diffrn_reflns_limit_k_max       16
_diffrn_reflns_limit_l_min       -18
_diffrn_reflns_limit_l_max       18
_diffrn_reflns_theta_min         2.82
_diffrn_reflns_theta_max         25.00
_reflns_number_total             7435
_reflns_number_gt                6380
_reflns_threshold_expression     >2sigma(I)

_computing_data_collection       'CrystalClear (Rigaku Inc., 2007)'
_computing_cell_refinement       'CrystalClear (Rigaku Inc., 2007)'
_computing_data_reduction        'CrystalClear (Rigaku Inc., 2007)'
_computing_structure_solution    'SHELXS-97 (Sheldrick, 1990)'
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 1997)'
_computing_molecular_graphics    'DIAMOND. Version 3.0. Crystal Impact'
_computing_publication_material  'Windows Word 2003'

_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. 

 Since the position of the disordered water molecules could not be resolved
 from the Fourier maps, PLATON/SQUEEZE was used to compensate the data for
 their contribution to the diffraction patterns. The final chemical formula 
 was calculated from SQUEEZE results combined with the TGA and elemental 
 analysis data. Besides, the O14, C23, C28, C29 and C30 atoms were refined 
 isotropically.
;


_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)+(0.0568P)²+3.1764P] 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         7435
_refine_ls_number_parameters     488
_refine_ls_number_restraints     56
_refine_ls_R_factor_all          0.0468
_refine_ls_R_factor_gt           0.0408
_refine_ls_wR_factor_ref         0.1130
_refine_ls_wR_factor_gt          0.1062
_refine_ls_goodness_of_fit_ref   1.096
_refine_ls_restrained_S_all      1.126
_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
Co1 Co 0.31176(7) -0.02016(6) 0.29004(5) 0.0410(2) Uani 1 1 d . . .
Eu1 Eu 0.49717(2) 0.068549(19) 0.099850(18) 0.03303(11) Uani 1 1 d . . .
Eu2 Eu 0.43414(3) -0.19156(2) 0.156263(19) 0.03865(11) Uani 1 1 d . . .
N1 N 0.2975(5) -0.0409(4) 0.4167(3) 0.0510(13) Uani 1 1 d . . .
N2 N 0.7069(4) -0.0122(4) 0.1367(3) 0.0414(11) Uani 1 1 d . . .
N3 N 0.1312(5) 0.0562(4) 0.3177(4) 0.0519(13) Uani 1 1 d . . .
H3B H 0.0801 0.0135 0.3443 0.062 Uiso 1 1 calc R . .
H3A H 0.1113 0.1011 0.3573 0.062 Uiso 1 1 calc R . .
N4 N 0.0771(7) 0.1027(8) 0.6400(7) 0.093(2) Uani 1 1 d . . .
O1 O 0.3690(4) 0.0994(3) 0.2616(3) 0.0438(9) Uani 1 1 d . . .
O2 O 0.5256(4) 0.2138(3) 0.1806(3) 0.0537(11) Uani 1 1 d . . .
O3 O 0.2751(4) -0.1466(3) 0.3082(3) 0.0495(10) Uani 1 1 d . . .
O4 O 0.6614(4) 0.1268(3) -0.0265(3) 0.0395(9) Uani 1 1 d . . .
O5 O 0.7482(4) 0.2576(3) -0.1693(3) 0.0542(11) Uani 1 1 d . . .
O6 O 0.4900(4) -0.0865(3) 0.2329(3) 0.0399(9) Uani 1 1 d . . .
O7 O 0.3164(3) -0.0046(3) 0.1632(3) 0.0368(8) Uani 1 1 d . . .
O8 O 0.3425(4) 0.2285(3) 0.0869(3) 0.0529(11) Uani 1 1 d . . .
O9 O 0.4519(4) 0.3095(3) -0.0419(3) 0.0554(11) Uani 1 1 d . . .
O10 O 0.6481(5) -0.2900(3) 0.1768(4) 0.0599(12) Uani 1 1 d . . .
O11 O 0.4808(5) -0.3509(4) 0.2596(3) 0.0664(13) Uani 1 1 d . . .
O12 O 0.5618(3) -0.0897(3) 0.0388(2) 0.0343(8) Uani 1 1 d D . .
H12 H 0.6412(11) -0.1178(4) 0.0301(3) 0.041 Uiso 1 1 d RD . .
O13 O 0.0389(7) 0.0884(7) 0.5803(6) 0.124(3) Uani 1 1 d . . .
O14 O 0.0899(11) 0.0337(9) 0.7020(8) 0.165(4) Uani 1 1 d U . .
O15 O 0.1101(10) 0.1778(8) 0.6320(7) 0.150(4) Uani 1 1 d . . .
C1 C 0.3782(7) 0.0979(5) 0.4148(5) 0.0558(17) Uani 1 1 d . . .
C2 C 0.4092(6) 0.1297(5) 0.3183(4) 0.0449(14) Uani 1 1 d . . .
C3 C 0.4874(7) 0.1970(5) 0.2769(5) 0.0541(16) Uani 1 1 d . . .
C4 C 0.5255(9) 0.2382(6) 0.3321(6) 0.072(2) Uani 1 1 d . . .
H4A H 0.5782 0.2824 0.3046 0.086 Uiso 1 1 calc R . .
C5 C 0.4829(10) 0.2120(7) 0.4306(6) 0.087(3) Uani 1 1 d . . .
H5A H 0.5030 0.2424 0.4684 0.104 Uiso 1 1 calc R . .
C6 C 0.4132(8) 0.1431(6) 0.4697(5) 0.070(2) Uani 1 1 d . . .
H6A H 0.3878 0.1252 0.5344 0.084 Uiso 1 1 calc R . .
C7 C 0.5813(7) 0.2979(5) 0.1353(5) 0.0634(19) Uani 1 1 d . . .
H7A H 0.5776 0.3344 0.1817 0.095 Uiso 1 1 calc R . .
H7B H 0.5339 0.3431 0.0952 0.095 Uiso 1 1 calc R . .
H7C H 0.6696 0.2725 0.0987 0.095 Uiso 1 1 calc R . .
C8 C 0.3208(7) 0.0149(6) 0.4594(5) 0.0594(18) Uani 1 1 d . . .
H8A H 0.2988 0.0004 0.5243 0.071 Uiso 1 1 calc R . .
C9 C 0.2369(8) -0.1232(6) 0.4657(5) 0.0650(19) Uani 1 1 d . . .
H9A H 0.1437 -0.0973 0.4840 0.078 Uiso 1 1 calc R . .
H9B H 0.2615 -0.1547 0.5215 0.078 Uiso 1 1 calc R . .
C10 C 0.2838(8) -0.2000(6) 0.3977(5) 0.0657(19) Uani 1 1 d . . .
H10A H 0.3725 -0.2381 0.3921 0.079 Uiso 1 1 calc R . .
H10B H 0.2314 -0.2481 0.4205 0.079 Uiso 1 1 calc R . .
C11 C 0.8294(6) 0.1085(4) 0.0367(5) 0.0457(14) Uani 1 1 d . . .
C12 C 0.7636(5) 0.1511(4) -0.0292(4) 0.0390(13) Uani 1 1 d . . .
C13 C 0.8129(6) 0.2231(4) -0.1042(5) 0.0454(14) Uani 1 1 d . . .
C14 C 0.9160(6) 0.2550(5) -0.1089(6) 0.0583(18) Uani 1 1 d . . .
H14A H 0.9459 0.3028 -0.1583 0.070 Uiso 1 1 calc R . .
C15 C 0.9745(7) 0.2164(6) -0.0410(6) 0.066(2) Uani 1 1 d . . .
H15A H 1.0411 0.2408 -0.0428 0.080 Uiso 1 1 calc R . .
C16 C 0.9359(6) 0.1429(5) 0.0290(6) 0.0601(19) Uani 1 1 d . . .
H16A H 0.9799 0.1146 0.0726 0.072 Uiso 1 1 calc R . .
C17 C 0.7981(9) 0.3256(6) -0.2510(6) 0.076(2) Uani 1 1 d . . .
H17A H 0.7450 0.3439 -0.2906 0.114 Uiso 1 1 calc R . .
H17B H 0.8848 0.2918 -0.2847 0.114 Uiso 1 1 calc R . .
H17C H 0.7977 0.3862 -0.2320 0.114 Uiso 1 1 calc R . .
C18 C 0.8043(6) 0.0233(5) 0.1097(5) 0.0477(15) Uani 1 1 d . . .
H18A H 0.8662 -0.0086 0.1397 0.057 Uiso 1 1 calc R . .
C19 C 0.7139(6) -0.1074(5) 0.2042(5) 0.0505(15) Uani 1 1 d . . .
H19A H 0.7768 -0.1146 0.2344 0.061 Uiso 1 1 calc R . .
H19B H 0.7418 -0.1659 0.1711 0.061 Uiso 1 1 calc R . .
C20 C 0.5847(6) -0.1056(5) 0.2771(4) 0.0481(15) Uani 1 1 d . . .
H20A H 0.5889 -0.1707 0.3174 0.058 Uiso 1 1 calc R . .
H20B H 0.5614 -0.0525 0.3156 0.058 Uiso 1 1 calc R . .
C21 C 0.1880(5) 0.0372(5) 0.1565(5) 0.0464(14) Uani 1 1 d . . .
H21A H 0.1468 -0.0172 0.1693 0.056 Uiso 1 1 calc R . .
H21B H 0.1913 0.0724 0.0939 0.056 Uiso 1 1 calc R . .
C22 C 0.1134(6) 0.1106(5) 0.2271(5) 0.0562(17) Uani 1 1 d . . .
H22A H 0.1454 0.1708 0.2085 0.067 Uiso 1 1 calc R . .
H22B H 0.0227 0.1318 0.2323 0.067 Uiso 1 1 calc R . .
C23 C 0.3048(12) 0.4983(7) 0.0010(9) 0.126(4) Uani 1 1 d U . .
H23A H 0.2394 0.5603 0.0177 0.189 Uiso 1 1 calc R . .
H23B H 0.3257 0.4955 -0.0644 0.189 Uiso 1 1 calc R . .
H23C H 0.3806 0.4967 0.0136 0.189 Uiso 1 1 calc R . .
C24 C 0.1382(9) 0.4035(9) 0.0384(9) 0.121(4) Uani 1 1 d . . .
H24A H 0.1115 0.3437 0.0739 0.181 Uiso 1 1 calc R . .
H24B H 0.1596 0.4011 -0.0272 0.181 Uiso 1 1 calc R . .
H24C H 0.0692 0.4634 0.0559 0.181 Uiso 1 1 calc R . .
C25 C 0.2164(10) 0.4113(6) 0.1616(7) 0.095(3) Uani 1 1 d . . .
H25A H 0.1874 0.3522 0.1964 0.142 Uiso 1 1 calc R . .
H25B H 0.1480 0.4720 0.1776 0.142 Uiso 1 1 calc R . .
H25C H 0.2892 0.4124 0.1768 0.142 Uiso 1 1 calc R . .
C26 C 0.2554(7) 0.4071(5) 0.0581(5) 0.0611(18) Uani 1 1 d . . .
C27 C 0.3580(6) 0.3078(4) 0.0322(4) 0.0446(14) Uani 1 1 d . . .
C28 C 0.6814(14) -0.5395(8) 0.2779(10) 0.135(3) Uani 1 1 d U . .
H28A H 0.7313 -0.5923 0.3124 0.202 Uiso 1 1 calc R . .
H28B H 0.7182 -0.5472 0.2126 0.202 Uiso 1 1 calc R . .
H28C H 0.5943 -0.5449 0.3002 0.202 Uiso 1 1 calc R . .
C29 C 0.6263(13) -0.4271(10) 0.3940(8) 0.135(4) Uani 1 1 d U . .
H29A H 0.6757 -0.4810 0.4280 0.202 Uiso 1 1 calc R . .
H29B H 0.5383 -0.4303 0.4173 0.202 Uiso 1 1 calc R . .
H29C H 0.6299 -0.3622 0.4018 0.202 Uiso 1 1 calc R . .
C30 C 0.8194(11) -0.4334(9) 0.2579(9) 0.127(4) Uani 1 1 d U . .
H30A H 0.8675 -0.4875 0.2927 0.190 Uiso 1 1 calc R . .
H30B H 0.8208 -0.3686 0.2678 0.190 Uiso 1 1 calc R . .
H30C H 0.8575 -0.4400 0.1925 0.190 Uiso 1 1 calc R . .
C31 C 0.6818(10) -0.4396(7) 0.2906(7) 0.0842(19) Uani 1 1 d U . .
C32 C 0.5986(9) -0.3545(6) 0.2384(6) 0.0667(17) Uani 1 1 d U . .


_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
Co1 N1 1.868(5) . ?
Co1 O3 1.885(4) . ?
Co1 O1 1.894(4) . ?
Co1 O7 1.910(4) . ?
Co1 O6 1.919(4) . ?
Co1 N3 1.944(5) . ?
Co1 Eu2 3.1683(14) . ?
Co1 Eu1 3.1885(14) . ?
Eu1 O4 2.371(4) . ?
Eu1 O8 2.378(4) . ?
Eu1 O12 2.397(4) . ?
Eu1 O7 2.408(4) . ?
Eu1 O12 2.415(4) 2_655 ?
Eu1 O1 2.456(4) . ?
Eu1 N2 2.530(5) . ?
Eu1 O6 2.609(4) . ?
Eu1 O2 2.789(4) . ?
Eu1 Eu2 3.7785(17) . ?
Eu1 Eu2 3.8285(17) 2_655 ?
Eu1 H12 2.8102 . ?
Eu2 O12 2.384(4) . ?
Eu2 O9 2.419(4) 2_655 ?
Eu2 O11 2.439(5) . ?
Eu2 O6 2.456(4) . ?
Eu2 O3 2.466(4) . ?
Eu2 O4 2.491(4) 2_655 ?
Eu2 O5 2.497(4) 2_655 ?
Eu2 O10 2.500(5) . ?
Eu2 O7 2.525(4) . ?
Eu2 C32 2.823(8) . ?
Eu2 H12 2.7983 . ?
N1 C8 1.281(8) . ?
N1 C9 1.453(9) . ?
N2 C18 1.270(8) . ?
N2 C19 1.483(8) . ?
N3 C22 1.481(9) . ?
N3 H3B 0.9000 . ?
N3 H3A 0.9000 . ?
N4 O15 1.196(11) . ?
N4 O14 1.200(12) . ?
N4 O13 1.243(10) . ?
O1 C2 1.336(7) . ?
O2 C3 1.376(8) . ?
O2 C7 1.435(8) . ?
O3 C10 1.433(8) . ?
O4 C12 1.319(6) . ?
O4 Eu2 2.491(4) 2_655 ?
O5 C13 1.379(8) . ?
O5 C17 1.444(8) . ?
O5 Eu2 2.497(4) 2_655 ?
O6 C20 1.421(7) . ?
O7 C21 1.440(7) . ?
O8 C27 1.243(7) . ?
O9 C27 1.259(8) . ?
O9 Eu2 2.419(4) 2_655 ?
O10 C32 1.256(9) . ?
O11 C32 1.265(9) . ?
O12 Eu1 2.415(4) 2_655 ?
O12 H12 0.8445 . ?
C1 C2 1.399(9) . ?
C1 C6 1.406(9) . ?
C1 C8 1.431(10) . ?
C2 C3 1.400(9) . ?
C3 C4 1.395(9) . ?
C4 C5 1.416(12) . ?
C4 H4A 0.9300 . ?
C5 C6 1.347(12) . ?
C5 H5A 0.9300 . ?
C6 H6A 0.9300 . ?
C7 H7A 0.9600 . ?
C7 H7B 0.9600 . ?
C7 H7C 0.9600 . ?
C8 H8A 0.9300 . ?
C9 C10 1.517(10) . ?
C9 H9A 0.9700 . ?
C9 H9B 0.9700 . ?
C10 H10A 0.9700 . ?
C10 H10B 0.9700 . ?
C11 C12 1.401(8) . ?
C11 C16 1.422(9) . ?
C11 C18 1.457(9) . ?
C12 C13 1.421(9) . ?
C13 C14 1.378(8) . ?
C14 C15 1.368(11) . ?
C14 H14A 0.9300 . ?
C15 C16 1.357(11) . ?
C15 H15A 0.9300 . ?
C16 H16A 0.9300 . ?
C17 H17A 0.9600 . ?
C17 H17B 0.9600 . ?
C17 H17C 0.9600 . ?
C18 H18A 0.9300 . ?
C19 C20 1.501(9) . ?
C19 H19A 0.9700 . ?
C19 H19B 0.9700 . ?
C20 H20A 0.9700 . ?
C20 H20B 0.9700 . ?
C21 C22 1.503(9) . ?
C21 H21A 0.9700 . ?
C21 H21B 0.9700 . ?
C22 H22A 0.9700 . ?
C22 H22B 0.9700 . ?
C23 C26 1.517(11) . ?
C23 H23A 0.9600 . ?
C23 H23B 0.9600 . ?
C23 H23C 0.9600 . ?
C24 C26 1.516(12) . ?
C24 H24A 0.9600 . ?
C24 H24B 0.9600 . ?
C24 H24C 0.9600 . ?
C25 C26 1.510(11) . ?
C25 H25A 0.9600 . ?
C25 H25B 0.9600 . ?
C25 H25C 0.9600 . ?
C26 C27 1.525(8) . ?
C28 C31 1.460(14) . ?
C28 H28A 0.9600 . ?
C28 H28B 0.9600 . ?
C28 H28C 0.9600 . ?
C29 C31 1.521(14) . ?
C29 H29A 0.9600 . ?
C29 H29B 0.9600 . ?
C29 H29C 0.9600 . ?
C30 C31 1.508(14) . ?
C30 H30A 0.9600 . ?
C30 H30B 0.9600 . ?
C30 H30C 0.9600 . ?
C31 C32 1.536(11) . ?

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
N1 Co1 O3 88.5(2) . . ?
N1 Co1 O1 94.6(2) . . ?
O3 Co1 O1 172.86(19) . . ?
N1 Co1 O7 175.5(2) . . ?
O3 Co1 O7 87.70(17) . . ?
O1 Co1 O7 89.39(16) . . ?
N1 Co1 O6 102.6(2) . . ?
O3 Co1 O6 88.30(18) . . ?
O1 Co1 O6 84.77(17) . . ?
O7 Co1 O6 79.64(15) . . ?
N1 Co1 N3 90.8(2) . . ?
O3 Co1 N3 93.2(2) . . ?
O1 Co1 N3 93.2(2) . . ?
O7 Co1 N3 87.08(19) . . ?
O6 Co1 N3 166.6(2) . . ?
N1 Co1 Eu2 125.74(17) . . ?
O3 Co1 Eu2 51.04(13) . . ?
O1 Co1 Eu2 122.39(12) . . ?
O7 Co1 Eu2 52.84(11) . . ?
O6 Co1 Eu2 50.77(11) . . ?
N3 Co1 Eu2 121.41(16) . . ?
N1 Co1 Eu1 135.56(17) . . ?
O3 Co1 Eu1 123.71(13) . . ?
O1 Co1 Eu1 50.25(12) . . ?
O7 Co1 Eu1 48.86(11) . . ?
O6 Co1 Eu1 54.88(12) . . ?
N3 Co1 Eu1 114.19(17) . . ?
Eu2 Co1 Eu1 72.94(4) . . ?
O4 Eu1 O8 92.08(15) . . ?
O4 Eu1 O12 90.62(13) . . ?
O8 Eu1 O12 135.56(13) . . ?
O4 Eu1 O7 152.43(12) . . ?
O8 Eu1 O7 85.96(15) . . ?
O12 Eu1 O7 72.26(13) . . ?
O4 Eu1 O12 73.94(13) . 2_655 ?
O8 Eu1 O12 70.25(13) . 2_655 ?
O12 Eu1 O12 68.01(14) . 2_655 ?
O7 Eu1 O12 79.55(12) . 2_655 ?
O4 Eu1 O1 138.96(13) . . ?
O8 Eu1 O1 74.66(15) . . ?
O12 Eu1 O1 126.12(13) . . ?
O7 Eu1 O1 66.72(13) . . ?
O12 Eu1 O1 132.40(13) 2_655 . ?
O4 Eu1 N2 72.45(15) . . ?
O8 Eu1 N2 141.72(16) . . ?
O12 Eu1 N2 80.70(14) . . ?
O7 Eu1 N2 123.61(15) . . ?
O12 Eu1 N2 133.18(14) 2_655 . ?
O1 Eu1 N2 94.06(15) . . ?
O4 Eu1 O6 135.54(13) . . ?
O8 Eu1 O6 130.63(14) . . ?
O12 Eu1 O6 68.41(12) . . ?
O7 Eu1 O6 58.34(12) . . ?
O12 Eu1 O6 126.32(12) 2_655 . ?
O1 Eu1 O6 60.90(13) . . ?
N2 Eu1 O6 65.91(14) . . ?
O4 Eu1 O2 80.27(13) . . ?
O8 Eu1 O2 68.17(15) . . ?
O12 Eu1 O2 155.31(13) . . ?
O7 Eu1 O2 123.72(13) . . ?
O12 Eu1 O2 129.55(13) 2_655 . ?
O1 Eu1 O2 58.71(13) . . ?
N2 Eu1 O2 74.69(15) . . ?
O6 Eu1 O2 102.44(13) . . ?
O4 Eu1 Co1 169.77(9) . . ?
O8 Eu1 Co1 93.95(12) . . ?
O12 Eu1 Co1 90.85(9) . . ?
O7 Eu1 Co1 36.66(9) . . ?
O12 Eu1 Co1 115.92(9) 2_655 . ?
O1 Eu1 Co1 36.36(10) . . ?
N2 Eu1 Co1 97.82(12) . . ?
O6 Eu1 Co1 36.99(9) . . ?
O2 Eu1 Co1 94.32(10) . . ?
O4 Eu1 Eu2 127.99(9) . . ?
O8 Eu1 Eu2 125.92(12) . . ?
O12 Eu1 Eu2 37.65(9) . . ?
O7 Eu1 Eu2 41.17(9) . . ?
O12 Eu1 Eu2 86.26(9) 2_655 . ?
O1 Eu1 Eu2 89.21(10) . . ?
N2 Eu1 Eu2 89.51(12) . . ?
O6 Eu1 Eu2 40.22(8) . . ?
O2 Eu1 Eu2 142.13(10) . . ?
Co1 Eu1 Eu2 53.28(2) . . ?
O4 Eu1 Eu2 39.18(9) . 2_655 ?
O8 Eu1 Eu2 69.81(11) . 2_655 ?
O12 Eu1 Eu2 85.37(9) . 2_655 ?
O7 Eu1 Eu2 115.96(9) . 2_655 ?
O12 Eu1 Eu2 36.79(9) 2_655 2_655 ?
O1 Eu1 Eu2 143.90(10) . 2_655 ?
N2 Eu1 Eu2 109.81(12) . 2_655 ?
O6 Eu1 Eu2 153.74(8) . 2_655 ?
O2 Eu1 Eu2 101.03(10) . 2_655 ?
Co1 Eu1 Eu2 151.05(2) . 2_655 ?
Eu2 Eu1 Eu2 116.75(2) . 2_655 ?
O4 Eu1 H12 81.1 . . ?
O8 Eu1 H12 148.4 . . ?
O12 Eu1 H12 16.3 . . ?
O7 Eu1 H12 86.2 . . ?
O12 Eu1 H12 78.2 2_655 . ?
O1 Eu1 H12 129.0 . . ?
N2 Eu1 H12 65.3 . . ?
O6 Eu1 H12 68.1 . . ?
O2 Eu1 H12 139.3 . . ?
Co1 Eu1 H12 97.8 . . ?
Eu2 Eu1 H12 47.5 . . ?
Eu2 Eu1 H12 86.4 2_655 . ?
O12 Eu2 O9 80.97(14) . 2_655 ?
O12 Eu2 O11 134.69(15) . . ?
O9 Eu2 O11 80.04(17) 2_655 . ?
O12 Eu2 O6 71.26(13) . . ?
O9 Eu2 O6 136.90(14) 2_655 . ?
O11 Eu2 O6 96.53(16) . . ?
O12 Eu2 O3 127.98(13) . . ?
O9 Eu2 O3 151.05(15) 2_655 . ?
O11 Eu2 O3 78.44(16) . . ?
O6 Eu2 O3 65.15(14) . . ?
O12 Eu2 O4 72.34(12) . 2_655 ?
O9 Eu2 O4 72.88(14) 2_655 2_655 ?
O11 Eu2 O4 137.71(16) . 2_655 ?
O6 Eu2 O4 125.42(13) . 2_655 ?
O3 Eu2 O4 112.01(14) . 2_655 ?
O12 Eu2 O5 135.44(13) . 2_655 ?
O9 Eu2 O5 81.17(15) 2_655 2_655 ?
O11 Eu2 O5 80.99(17) . 2_655 ?
O6 Eu2 O5 141.21(14) . 2_655 ?
O3 Eu2 O5 76.54(14) . 2_655 ?
O4 Eu2 O5 63.45(13) 2_655 2_655 ?
O12 Eu2 O10 81.98(15) . . ?
O9 Eu2 O10 70.53(16) 2_655 . ?
O11 Eu2 O10 52.93(17) . . ?
O6 Eu2 O10 73.43(14) . . ?
O3 Eu2 O10 110.08(16) . . ?
O4 Eu2 O10 137.91(15) 2_655 . ?
O5 Eu2 O10 128.55(15) 2_655 . ?
O12 Eu2 O7 70.43(12) . . ?
O9 Eu2 O7 139.31(14) 2_655 . ?
O11 Eu2 O7 140.52(15) . . ?
O6 Eu2 O7 58.97(12) . . ?
O3 Eu2 O7 63.55(13) . . ?
O4 Eu2 O7 71.24(12) 2_655 . ?
O5 Eu2 O7 99.19(14) 2_655 . ?
O10 Eu2 O7 130.24(13) . . ?
O12 Eu2 C32 108.4(2) . . ?
O9 Eu2 C32 74.56(19) 2_655 . ?
O11 Eu2 C32 26.6(2) . . ?
O6 Eu2 C32 83.57(17) . . ?
O3 Eu2 C32 93.8(2) . . ?
O4 Eu2 C32 146.87(17) 2_655 . ?
O5 Eu2 C32 105.6(2) 2_655 . ?
O10 Eu2 C32 26.4(2) . . ?
O7 Eu2 C32 141.36(17) . . ?
O12 Eu2 Co1 91.58(9) . . ?
O9 Eu2 Co1 172.37(12) 2_655 . ?
O11 Eu2 Co1 104.40(13) . . ?
O6 Eu2 Co1 37.26(9) . . ?
O3 Eu2 Co1 36.46(10) . . ?
O4 Eu2 Co1 106.52(9) 2_655 . ?
O5 Eu2 Co1 105.51(11) 2_655 . ?
O10 Eu2 Co1 106.98(11) . . ?
O7 Eu2 Co1 37.07(9) . . ?
C32 Eu2 Co1 106.57(15) . . ?
O12 Eu2 Eu1 37.89(8) . . ?
O9 Eu2 Eu1 118.84(12) 2_655 . ?
O11 Eu2 Eu1 138.19(13) . . ?
O6 Eu2 Eu1 43.33(9) . . ?
O3 Eu2 Eu1 90.09(10) . . ?
O4 Eu2 Eu1 83.91(9) 2_655 . ?
O5 Eu2 Eu1 135.49(11) 2_655 . ?
O10 Eu2 Eu1 95.96(11) . . ?
O7 Eu2 Eu1 38.89(9) . . ?
C32 Eu2 Eu1 117.66(17) . . ?
Co1 Eu2 Eu1 53.78(3) . . ?
O12 Eu2 H12 16.4 . . ?
O9 Eu2 H12 73.8 2_655 . ?
O11 Eu2 H12 118.3 . . ?
O6 Eu2 H12 70.4 . . ?
O3 Eu2 H12 134.0 . . ?
O4 Eu2 H12 84.6 2_655 . ?
O5 Eu2 H12 144.2 2_655 . ?
O10 Eu2 H12 65.8 . . ?
O7 Eu2 H12 84.3 . . ?
C32 Eu2 H12 92.1 . . ?
Co1 Eu2 H12 98.6 . . ?
Eu1 Eu2 H12 47.8 . . ?
C8 N1 C9 122.6(6) . . ?
C8 N1 Co1 127.1(5) . . ?
C9 N1 Co1 109.8(4) . . ?
C18 N2 C19 115.4(5) . . ?
C18 N2 Eu1 127.6(4) . . ?
C19 N2 Eu1 116.8(3) . . ?
C22 N3 Co1 106.4(4) . . ?
C22 N3 H3B 110.5 . . ?
Co1 N3 H3B 110.5 . . ?
C22 N3 H3A 110.5 . . ?
Co1 N3 H3A 110.5 . . ?
H3B N3 H3A 108.6 . . ?
O15 N4 O14 121.3(11) . . ?
O15 N4 O13 121.7(11) . . ?
O14 N4 O13 116.7(11) . . ?
C2 O1 Co1 124.4(4) . . ?
C2 O1 Eu1 124.4(4) . . ?
Co1 O1 Eu1 93.38(15) . . ?
C3 O2 C7 117.1(5) . . ?
C3 O2 Eu1 114.0(4) . . ?
C7 O2 Eu1 128.7(4) . . ?
C10 O3 Co1 108.7(4) . . ?
C10 O3 Eu2 124.9(4) . . ?
Co1 O3 Eu2 92.49(16) . . ?
C12 O4 Eu1 131.8(3) . . ?
C12 O4 Eu2 121.7(3) . 2_655 ?
Eu1 O4 Eu2 103.87(14) . 2_655 ?
C13 O5 C17 117.5(5) . . ?
C13 O5 Eu2 121.6(3) . 2_655 ?
C17 O5 Eu2 120.5(4) . 2_655 ?
C20 O6 Co1 122.2(3) . . ?
C20 O6 Eu2 133.9(3) . . ?
Co1 O6 Eu2 91.97(15) . . ?
C20 O6 Eu1 113.1(3) . . ?
Co1 O6 Eu1 88.14(14) . . ?
Eu2 O6 Eu1 96.45(13) . . ?
C21 O7 Co1 110.3(3) . . ?
C21 O7 Eu1 129.6(3) . . ?
Co1 O7 Eu1 94.48(14) . . ?
C21 O7 Eu2 122.2(3) . . ?
Co1 O7 Eu2 90.09(14) . . ?
Eu1 O7 Eu2 99.94(13) . . ?
C27 O8 Eu1 128.6(4) . . ?
C27 O9 Eu2 131.7(4) . 2_655 ?
C32 O10 Eu2 91.3(5) . . ?
C32 O11 Eu2 93.9(4) . . ?
Eu2 O12 Eu1 104.45(14) . . ?
Eu2 O12 Eu1 105.85(14) . 2_655 ?
Eu1 O12 Eu1 111.99(14) . 2_655 ?
Eu2 O12 H12 110.9 . . ?
Eu1 O12 H12 110.8 . . ?
Eu1 O12 H12 112.4 2_655 . ?
C2 C1 C6 119.3(7) . . ?
C2 C1 C8 122.5(6) . . ?
C6 C1 C8 118.0(6) . . ?
O1 C2 C1 123.9(6) . . ?
O1 C2 C3 116.9(5) . . ?
C1 C2 C3 119.2(6) . . ?
O2 C3 C4 124.7(7) . . ?
O2 C3 C2 114.8(5) . . ?
C4 C3 C2 120.4(7) . . ?
C3 C4 C5 119.1(8) . . ?
C3 C4 H4A 120.4 . . ?
C5 C4 H4A 120.4 . . ?
C6 C5 C4 120.2(7) . . ?
C6 C5 H5A 119.9 . . ?
C4 C5 H5A 119.9 . . ?
C5 C6 C1 121.3(7) . . ?
C5 C6 H6A 119.4 . . ?
C1 C6 H6A 119.4 . . ?
O2 C7 H7A 109.5 . . ?
O2 C7 H7B 109.5 . . ?
H7A C7 H7B 109.5 . . ?
O2 C7 H7C 109.5 . . ?
H7A C7 H7C 109.5 . . ?
H7B C7 H7C 109.5 . . ?
N1 C8 C1 124.9(6) . . ?
N1 C8 H8A 117.6 . . ?
C1 C8 H8A 117.6 . . ?
N1 C9 C10 106.3(5) . . ?
N1 C9 H9A 110.5 . . ?
C10 C9 H9A 110.5 . . ?
N1 C9 H9B 110.5 . . ?
C10 C9 H9B 110.5 . . ?
H9A C9 H9B 108.7 . . ?
O3 C10 C9 109.0(6) . . ?
O3 C10 H10A 109.9 . . ?
C9 C10 H10A 109.9 . . ?
O3 C10 H10B 109.9 . . ?
C9 C10 H10B 109.9 . . ?
H10A C10 H10B 108.3 . . ?
C12 C11 C16 119.4(6) . . ?
C12 C11 C18 124.5(5) . . ?
C16 C11 C18 115.9(6) . . ?
O4 C12 C11 124.1(5) . . ?
O4 C12 C13 118.7(5) . . ?
C11 C12 C13 117.2(5) . . ?
C14 C13 O5 124.2(6) . . ?
C14 C13 C12 121.5(6) . . ?
O5 C13 C12 114.2(5) . . ?
C15 C14 C13 120.2(7) . . ?
C15 C14 H14A 119.9 . . ?
C13 C14 H14A 119.9 . . ?
C16 C15 C14 120.5(6) . . ?
C16 C15 H15A 119.8 . . ?
C14 C15 H15A 119.8 . . ?
C15 C16 C11 121.0(7) . . ?
C15 C16 H16A 119.5 . . ?
C11 C16 H16A 119.5 . . ?
O5 C17 H17A 109.5 . . ?
O5 C17 H17B 109.5 . . ?
H17A C17 H17B 109.5 . . ?
O5 C17 H17C 109.5 . . ?
H17A C17 H17C 109.5 . . ?
H17B C17 H17C 109.5 . . ?
N2 C18 C11 126.9(6) . . ?
N2 C18 H18A 116.5 . . ?
C11 C18 H18A 116.5 . . ?
N2 C19 C20 110.7(5) . . ?
N2 C19 H19A 109.5 . . ?
C20 C19 H19A 109.5 . . ?
N2 C19 H19B 109.5 . . ?
C20 C19 H19B 109.5 . . ?
H19A C19 H19B 108.1 . . ?
O6 C20 C19 109.7(5) . . ?
O6 C20 H20A 109.7 . . ?
C19 C20 H20A 109.7 . . ?
O6 C20 H20B 109.7 . . ?
C19 C20 H20B 109.7 . . ?
H20A C20 H20B 108.2 . . ?
O7 C21 C22 107.7(5) . . ?
O7 C21 H21A 110.2 . . ?
C22 C21 H21A 110.2 . . ?
O7 C21 H21B 110.2 . . ?
C22 C21 H21B 110.2 . . ?
H21A C21 H21B 108.5 . . ?
N3 C22 C21 107.0(5) . . ?
N3 C22 H22A 110.3 . . ?
C21 C22 H22A 110.3 . . ?
N3 C22 H22B 110.3 . . ?
C21 C22 H22B 110.3 . . ?
H22A C22 H22B 108.6 . . ?
C26 C23 H23A 109.5 . . ?
C26 C23 H23B 109.5 . . ?
H23A C23 H23B 109.5 . . ?
C26 C23 H23C 109.5 . . ?
H23A C23 H23C 109.5 . . ?
H23B C23 H23C 109.5 . . ?
C26 C24 H24A 109.5 . . ?
C26 C24 H24B 109.5 . . ?
H24A C24 H24B 109.5 . . ?
C26 C24 H24C 109.5 . . ?
H24A C24 H24C 109.5 . . ?
H24B C24 H24C 109.5 . . ?
C26 C25 H25A 109.5 . . ?
C26 C25 H25B 109.5 . . ?
H25A C25 H25B 109.5 . . ?
C26 C25 H25C 109.5 . . ?
H25A C25 H25C 109.5 . . ?
H25B C25 H25C 109.5 . . ?
C25 C26 C24 107.3(8) . . ?
C25 C26 C23 110.9(8) . . ?
C24 C26 C23 111.8(9) . . ?
C25 C26 C27 110.5(6) . . ?
C24 C26 C27 106.1(6) . . ?
C23 C26 C27 110.2(7) . . ?
O8 C27 O9 123.7(5) . . ?
O8 C27 C26 116.8(6) . . ?
O9 C27 C26 119.6(6) . . ?
C31 C28 H28A 109.5 . . ?
C31 C28 H28B 109.5 . . ?
H28A C28 H28B 109.5 . . ?
C31 C28 H28C 109.5 . . ?
H28A C28 H28C 109.5 . . ?
H28B C28 H28C 109.5 . . ?
C31 C29 H29A 109.5 . . ?
C31 C29 H29B 109.5 . . ?
H29A C29 H29B 109.5 . . ?
C31 C29 H29C 109.5 . . ?
H29A C29 H29C 109.5 . . ?
H29B C29 H29C 109.5 . . ?
C31 C30 H30A 109.5 . . ?
C31 C30 H30B 109.5 . . ?
H30A C30 H30B 109.5 . . ?
C31 C30 H30C 109.5 . . ?
H30A C30 H30C 109.5 . . ?
H30B C30 H30C 109.5 . . ?
C28 C31 C30 108.9(10) . . ?
C28 C31 C29 110.2(10) . . ?
C30 C31 C29 107.0(9) . . ?
C28 C31 C32 110.0(8) . . ?
C30 C31 C32 112.4(8) . . ?
C29 C31 C32 108.3(8) . . ?
O10 C32 O11 121.7(7) . . ?
O10 C32 C31 119.6(8) . . ?
O11 C32 C31 118.7(8) . . ?
O10 C32 Eu2 62.3(4) . . ?
O11 C32 Eu2 59.5(4) . . ?
C31 C32 Eu2 175.3(6) . . ?

_diffrn_measured_fraction_theta_max 0.968
_diffrn_reflns_theta_full        25.00
_diffrn_measured_fraction_theta_full 0.968
_refine_diff_density_max         1.908
_refine_diff_density_min         -1.839
_refine_diff_density_rms         0.121

# SQUEEZE RESULTS (APPEND TO CIF)
loop_
_platon_squeeze_void_nr
_platon_squeeze_void_average_x
_platon_squeeze_void_average_y
_platon_squeeze_void_average_z
_platon_squeeze_void_volume
_platon_squeeze_void_count_electrons
1 0.000 0.500 0.500 356.9 15.9
2 0.445 0.526 0.139 7.7 0.0
3 0.554 0.474 0.861 7.8 -0.1
_platon_squeeze_details          
; ?
;

#==end
_database_code_depnum_ccdc_archive 'CCDC 948361'
#######################################################################
#
#                 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_Compound_2Gd

_audit_creation_method           SHELXL-97
_chemical_name_systematic        
; 
 ? 
;
_chemical_name_common            ?
_chemical_melting_point          ?
_chemical_formula_moiety         ?
_chemical_formula_sum            'C64 H94 Co2 Gd4 N8 O30'
_chemical_formula_weight         2202.33

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'
Co Co 0.3494 0.9721 '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'

_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                   11.628(4)
_cell_length_b                   13.997(4)
_cell_length_c                   15.441(5)
_cell_angle_alpha                74.478(14)
_cell_angle_beta                 68.117(12)
_cell_angle_gamma                69.735(12)
_cell_volume                     2159.9(12)
_cell_formula_units_Z            1
_cell_measurement_temperature    293(2)
_cell_measurement_reflns_used    5028
_cell_measurement_theta_min      2.7718
_cell_measurement_theta_max      27.5127

_exptl_crystal_description       Prism
_exptl_crystal_colour            'Orange yellow'
_exptl_crystal_size_max          0.3000
_exptl_crystal_size_mid          0.2000
_exptl_crystal_size_min          0.1500
_exptl_crystal_density_meas      ?
_exptl_crystal_density_diffrn    1.693
_exptl_crystal_density_method    'not measured'
_exptl_crystal_F_000             1084
_exptl_absorpt_coefficient_mu    3.479
_exptl_absorpt_correction_type   Multi-scan
_exptl_absorpt_correction_T_min  0.8201
_exptl_absorpt_correction_T_max  1.0000
_exptl_absorpt_process_details   'CrystalClear (Rigaku Inc., 2007)'

_exptl_special_details           
; 
 ? 
;

_diffrn_ambient_temperature      293(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  'Mercury70 (2x2 bin mode)'
_diffrn_measurement_method       CCD_Profile_fitting
_diffrn_detector_area_resol_mean 14.6306
_diffrn_standards_number         ?
_diffrn_standards_interval_count ?
_diffrn_standards_interval_time  ?
_diffrn_standards_decay_%        ?
_diffrn_reflns_number            23180
_diffrn_reflns_av_R_equivalents  0.0324
_diffrn_reflns_av_unetI/netI     0.0436
_diffrn_reflns_limit_h_min       -15
_diffrn_reflns_limit_h_max       15
_diffrn_reflns_limit_k_min       -17
_diffrn_reflns_limit_k_max       18
_diffrn_reflns_limit_l_min       -20
_diffrn_reflns_limit_l_max       20
_diffrn_reflns_theta_min         2.83
_diffrn_reflns_theta_max         27.58
_reflns_number_total             9808
_reflns_number_gt                7955
_reflns_threshold_expression     >2sigma(I)

_computing_data_collection       'CrystalClear (Rigaku Inc., 2007)'
_computing_cell_refinement       'CrystalClear (Rigaku Inc., 2007)'
_computing_data_reduction        'CrystalClear (Rigaku Inc., 2007)'
_computing_structure_solution    'SHELXS-97 (Sheldrick, 1990)'
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 1997)'
_computing_molecular_graphics    'DIAMOND. Version 3.0. Crystal Impact'
_computing_publication_material  'Windows Word 2003'

_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.
 
 Since the position of the disordered water molecules could not be resolved
 from the Fourier maps, PLATON/SQUEEZE was used to compensate the data for
 their contribution to the diffraction patterns. The final chemical formula
 was calculated from SQUEEZE results combined with the TGA and elemental 
 analysis data. Besides, the O14,O15,C23, C28, C29 and C30 atoms were refined 
 isotropically. 
;

_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)+(0.0769P)²+2.7128P] 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         9808
_refine_ls_number_parameters     489
_refine_ls_number_restraints     61
_refine_ls_R_factor_all          0.0589
_refine_ls_R_factor_gt           0.0490
_refine_ls_wR_factor_ref         0.1415
_refine_ls_wR_factor_gt          0.1304
_refine_ls_goodness_of_fit_ref   1.077
_refine_ls_restrained_S_all      1.095
_refine_ls_shift/su_max          0.005
_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
Co1 Co 0.31234(7) -0.02477(6) 0.29191(5) 0.04286(19) Uani 1 1 d . . .
Gd1 Gd 0.49690(2) 0.06621(2) 0.100110(17) 0.03486(10) Uani 1 1 d . . .
Gd2 Gd 0.43642(3) -0.19465(2) 0.158390(19) 0.04039(10) Uani 1 1 d . . .
N1 N 0.2976(5) -0.0480(5) 0.4199(3) 0.0550(13) Uani 1 1 d . . .
N2 N 0.7050(4) -0.0151(4) 0.1396(4) 0.0456(11) Uani 1 1 d . . .
N3 N 0.1321(5) 0.0539(4) 0.3183(4) 0.0534(13) Uani 1 1 d . . .
H3B H 0.0809 0.0114 0.3455 0.064 Uiso 1 1 calc R . .
H3A H 0.1126 0.0984 0.3576 0.064 Uiso 1 1 calc R . .
N4 N 0.0719(8) 0.1054(9) 0.6364(8) 0.101(3) Uani 1 1 d . . .
O1 O 0.3703(4) 0.0953(3) 0.2618(3) 0.0461(9) Uani 1 1 d . . .
O2 O 0.5242(4) 0.2121(4) 0.1812(3) 0.0558(11) Uani 1 1 d . . .
O3 O 0.2753(4) -0.1512(3) 0.3112(3) 0.0518(10) Uani 1 1 d . . .
O4 O 0.6580(4) 0.1274(3) -0.0274(3) 0.0420(8) Uani 1 1 d . . .
O5 O 0.7431(4) 0.2609(4) -0.1720(3) 0.0563(11) Uani 1 1 d . . .
O6 O 0.4910(4) -0.0923(3) 0.2355(3) 0.0439(9) Uani 1 1 d . . .
O7 O 0.3169(3) -0.0061(3) 0.1630(3) 0.0392(8) Uani 1 1 d . . .
O8 O 0.3439(4) 0.2273(3) 0.0860(3) 0.0531(10) Uani 1 1 d . . .
O9 O 0.4509(4) 0.3124(3) -0.0455(3) 0.0567(11) Uani 1 1 d . . .
O10 O 0.6518(5) -0.2944(4) 0.1779(4) 0.0599(12) Uani 1 1 d . . .
O11 O 0.4866(5) -0.3548(4) 0.2631(4) 0.0706(14) Uani 1 1 d . . .
O12 O 0.5625(3) -0.0905(3) 0.0391(2) 0.0360(8) Uani 1 1 d D . .
H12 H 0.6422(10) -0.1192(5) 0.0304(3) 0.043 Uiso 1 1 d RD . .
O13 O 0.0395(7) 0.0919(8) 0.5743(6) 0.124(3) Uani 1 1 d . . .
O14 O 0.0885(12) 0.0358(10) 0.6983(9) 0.168(4) Uani 1 1 d U . .
O15 O 0.0982(11) 0.1825(9) 0.6327(8) 0.160(4) Uani 1 1 d U . .
C1 C 0.3725(7) 0.0931(6) 0.4184(5) 0.0566(16) Uani 1 1 d . . .
C2 C 0.4061(5) 0.1265(5) 0.3191(4) 0.0471(14) Uani 1 1 d . . .
C3 C 0.4826(6) 0.1949(5) 0.2780(5) 0.0541(15) Uani 1 1 d . . .
C4 C 0.5149(9) 0.2359(7) 0.3352(6) 0.074(2) Uani 1 1 d . . .
H4A H 0.5663 0.2810 0.3076 0.089 Uiso 1 1 calc R . .
C5 C 0.4715(10) 0.2105(8) 0.4341(7) 0.088(3) Uani 1 1 d . . .
H5A H 0.4891 0.2420 0.4718 0.106 Uiso 1 1 calc R . .
C6 C 0.4041(9) 0.1402(7) 0.4739(5) 0.072(2) Uani 1 1 d . . .
H6A H 0.3776 0.1221 0.5394 0.087 Uiso 1 1 calc R . .
C7 C 0.5808(7) 0.2962(5) 0.1352(6) 0.0640(18) Uani 1 1 d . . .
H7A H 0.5767 0.3319 0.1819 0.096 Uiso 1 1 calc R . .
H7B H 0.5344 0.3430 0.0936 0.096 Uiso 1 1 calc R . .
H7C H 0.6692 0.2699 0.0994 0.096 Uiso 1 1 calc R . .
C8 C 0.3167(7) 0.0078(6) 0.4638(4) 0.0600(17) Uani 1 1 d . . .
H8A H 0.2931 -0.0075 0.5294 0.072 Uiso 1 1 calc R . .
C9 C 0.2373(8) -0.1315(6) 0.4709(5) 0.068(2) Uani 1 1 d . . .
H9A H 0.1440 -0.1052 0.4897 0.081 Uiso 1 1 calc R . .
H9B H 0.2632 -0.1649 0.5270 0.081 Uiso 1 1 calc R . .
C10 C 0.2846(8) -0.2074(6) 0.4013(5) 0.070(2) Uani 1 1 d . . .
H10A H 0.3734 -0.2465 0.3958 0.084 Uiso 1 1 calc R . .
H10B H 0.2324 -0.2555 0.4241 0.084 Uiso 1 1 calc R . .
C11 C 0.8271(5) 0.1067(5) 0.0368(5) 0.0464(14) Uani 1 1 d . . .
C12 C 0.7607(5) 0.1510(5) -0.0298(4) 0.0437(13) Uani 1 1 d . . .
C13 C 0.8090(6) 0.2245(5) -0.1070(5) 0.0518(15) Uani 1 1 d . . .
C14 C 0.9124(6) 0.2565(5) -0.1120(6) 0.0605(18) Uani 1 1 d . . .
H14A H 0.9413 0.3055 -0.1622 0.073 Uiso 1 1 calc R . .
C15 C 0.9719(6) 0.2160(6) -0.0431(7) 0.069(2) Uani 1 1 d . . .
H15A H 1.0387 0.2397 -0.0453 0.083 Uiso 1 1 calc R . .
C16 C 0.9333(6) 0.1412(6) 0.0286(6) 0.0614(18) Uani 1 1 d . . .
H16A H 0.9770 0.1120 0.0732 0.074 Uiso 1 1 calc R . .
C17 C 0.7899(9) 0.3325(8) -0.2538(6) 0.085(3) Uani 1 1 d . . .
H17A H 0.7372 0.3515 -0.2942 0.128 Uiso 1 1 calc R . .
H17B H 0.8774 0.3007 -0.2876 0.128 Uiso 1 1 calc R . .
H17C H 0.7864 0.3931 -0.2338 0.128 Uiso 1 1 calc R . .
C18 C 0.8027(6) 0.0216(5) 0.1110(5) 0.0530(16) Uani 1 1 d . . .
H18A H 0.8647 -0.0106 0.1418 0.064 Uiso 1 1 calc R . .
C19 C 0.7139(6) -0.1120(5) 0.2083(5) 0.0535(15) Uani 1 1 d . . .
H19A H 0.7761 -0.1195 0.2391 0.064 Uiso 1 1 calc R . .
H19B H 0.7435 -0.1702 0.1752 0.064 Uiso 1 1 calc R . .
C20 C 0.5845(6) -0.1119(5) 0.2815(4) 0.0503(14) Uani 1 1 d . . .
H20A H 0.5899 -0.1782 0.3226 0.060 Uiso 1 1 calc R . .
H20B H 0.5594 -0.0591 0.3200 0.060 Uiso 1 1 calc R . .
C21 C 0.1883(5) 0.0355(5) 0.1563(5) 0.0510(15) Uani 1 1 d . . .
H21A H 0.1479 -0.0194 0.1710 0.061 Uiso 1 1 calc R . .
H21B H 0.1902 0.0713 0.0928 0.061 Uiso 1 1 calc R . .
C22 C 0.1137(6) 0.1101(6) 0.2272(5) 0.0577(17) Uani 1 1 d . . .
H22A H 0.1463 0.1702 0.2074 0.069 Uiso 1 1 calc R . .
H22B H 0.0229 0.1328 0.2324 0.069 Uiso 1 1 calc R . .
C23 C 0.3047(13) 0.5015(8) -0.0006(10) 0.133(4) Uani 1 1 d U . .
H23A H 0.2392 0.5639 0.0161 0.199 Uiso 1 1 calc R . .
H23B H 0.3262 0.5011 -0.0669 0.199 Uiso 1 1 calc R . .
H23C H 0.3801 0.4981 0.0133 0.199 Uiso 1 1 calc R . .
C24 C 0.1380(10) 0.4077(10) 0.0370(10) 0.131(5) Uani 1 1 d . . .
H24A H 0.1116 0.3472 0.0729 0.197 Uiso 1 1 calc R . .
H24B H 0.1584 0.4073 -0.0292 0.197 Uiso 1 1 calc R . .
H24C H 0.0693 0.4681 0.0548 0.197 Uiso 1 1 calc R . .
C25 C 0.2167(10) 0.4096(7) 0.1618(7) 0.094(3) Uani 1 1 d . . .
H25A H 0.1874 0.3500 0.1967 0.141 Uiso 1 1 calc R . .
H25B H 0.1488 0.4709 0.1779 0.141 Uiso 1 1 calc R . .
H25C H 0.2900 0.4085 0.1771 0.141 Uiso 1 1 calc R . .
C26 C 0.2548(7) 0.4086(5) 0.0563(6) 0.068(2) Uani 1 1 d . . .
C27 C 0.3592(6) 0.3086(5) 0.0299(5) 0.0489(14) Uani 1 1 d . . .
C28 C 0.6789(15) -0.5487(10) 0.2874(11) 0.145(4) Uani 1 1 d U . .
H28A H 0.7294 -0.6031 0.3224 0.218 Uiso 1 1 calc R . .
H28B H 0.7116 -0.5577 0.2223 0.218 Uiso 1 1 calc R . .
H28C H 0.5907 -0.5509 0.3130 0.218 Uiso 1 1 calc R . .
C29 C 0.6363(13) -0.4335(10) 0.3978(9) 0.129(4) Uani 1 1 d U . .
H29A H 0.6870 -0.4884 0.4322 0.194 Uiso 1 1 calc R . .
H29B H 0.5480 -0.4353 0.4236 0.194 Uiso 1 1 calc R . .
H29C H 0.6421 -0.3685 0.4028 0.194 Uiso 1 1 calc R . .
C30 C 0.8267(12) -0.4425(10) 0.2576(9) 0.127(4) Uani 1 1 d U . .
H30A H 0.8761 -0.4975 0.2929 0.190 Uiso 1 1 calc R . .
H30B H 0.8302 -0.3775 0.2647 0.190 Uiso 1 1 calc R . .
H30C H 0.8619 -0.4498 0.1920 0.190 Uiso 1 1 calc R . .
C31 C 0.6867(10) -0.4466(7) 0.2947(7) 0.087(2) Uani 1 1 d U . .
C32 C 0.6029(8) -0.3591(6) 0.2412(6) 0.0671(17) Uani 1 1 d U . .


_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
Co1 N1 1.866(5) . ?
Co1 O3 1.885(5) . ?
Co1 O1 1.905(4) . ?
Co1 O7 1.920(4) . ?
Co1 O6 1.924(4) . ?
Co1 N3 1.943(5) . ?
Co1 Gd2 3.1649(12) . ?
Co1 Gd1 3.1836(11) . ?
Gd1 O8 2.355(4) . ?
Gd1 O4 2.362(4) . ?
Gd1 O12 2.386(4) . ?
Gd1 O12 2.402(3) 2_655 ?
Gd1 O7 2.403(4) . ?
Gd1 O1 2.440(4) . ?
Gd1 N2 2.519(5) . ?
Gd1 O6 2.610(4) . ?
Gd1 O2 2.820(4) . ?
Gd1 Gd2 3.7663(12) . ?
Gd1 Gd2 3.8187(12) 2_655 ?
Gd2 O12 2.387(4) . ?
Gd2 O9 2.411(4) 2_655 ?
Gd2 O11 2.416(5) . ?
Gd2 O6 2.445(4) . ?
Gd2 O4 2.470(4) 2_655 ?
Gd2 O3 2.476(4) . ?
Gd2 O5 2.484(4) 2_655 ?
Gd2 O10 2.495(5) . ?
Gd2 O7 2.527(4) . ?
Gd2 C32 2.804(8) . ?
N1 C8 1.279(8) . ?
N1 C9 1.464(9) . ?
N2 C18 1.287(8) . ?
N2 C19 1.480(9) . ?
N3 C22 1.469(9) . ?
N3 H3B 0.9000 . ?
N3 H3A 0.9000 . ?
N4 O14 1.188(13) . ?
N4 O15 1.201(12) . ?
N4 O13 1.229(11) . ?
O1 C2 1.325(7) . ?
O2 C3 1.370(8) . ?
O2 C7 1.437(8) . ?
O3 C10 1.426(9) . ?
O4 C12 1.330(6) . ?
O4 Gd2 2.470(4) 2_655 ?
O5 C13 1.373(8) . ?
O5 C17 1.444(9) . ?
O5 Gd2 2.484(4) 2_655 ?
O6 C20 1.424(7) . ?
O7 C21 1.437(6) . ?
O8 C27 1.254(8) . ?
O9 C27 1.255(8) . ?
O9 Gd2 2.411(4) 2_655 ?
O10 C32 1.251(9) . ?
O11 C32 1.249(9) . ?
O12 Gd1 2.402(3) 2_655 ?
O12 H12 0.8465 . ?
C1 C6 1.416(9) . ?
C1 C2 1.422(9) . ?
C1 C8 1.444(10) . ?
C2 C3 1.398(9) . ?
C3 C4 1.385(9) . ?
C4 C5 1.404(12) . ?
C4 H4A 0.9300 . ?
C5 C6 1.346(12) . ?
C5 H5A 0.9300 . ?
C6 H6A 0.9300 . ?
C7 H7A 0.9600 . ?
C7 H7B 0.9600 . ?
C7 H7C 0.9600 . ?
C8 H8A 0.9300 . ?
C9 C10 1.534(10) . ?
C9 H9A 0.9700 . ?
C9 H9B 0.9700 . ?
C10 H10A 0.9700 . ?
C10 H10B 0.9700 . ?
C11 C12 1.400(9) . ?
C11 C16 1.428(8) . ?
C11 C18 1.440(10) . ?
C12 C13 1.428(9) . ?
C13 C14 1.391(8) . ?
C14 C15 1.375(11) . ?
C14 H14A 0.9300 . ?
C15 C16 1.364(11) . ?
C15 H15A 0.9300 . ?
C16 H16A 0.9300 . ?
C17 H17A 0.9600 . ?
C17 H17B 0.9600 . ?
C17 H17C 0.9600 . ?
C18 H18A 0.9300 . ?
C19 C20 1.508(9) . ?
C19 H19A 0.9700 . ?
C19 H19B 0.9700 . ?
C20 H20A 0.9700 . ?
C20 H20B 0.9700 . ?
C21 C22 1.523(9) . ?
C21 H21A 0.9700 . ?
C21 H21B 0.9700 . ?
C22 H22A 0.9700 . ?
C22 H22B 0.9700 . ?
C23 C26 1.528(13) . ?
C23 H23A 0.9600 . ?
C23 H23B 0.9600 . ?
C23 H23C 0.9600 . ?
C24 C26 1.499(13) . ?
C24 H24A 0.9600 . ?
C24 H24B 0.9600 . ?
C24 H24C 0.9600 . ?
C25 C26 1.523(12) . ?
C25 H25A 0.9600 . ?
C25 H25B 0.9600 . ?
C25 H25C 0.9600 . ?
C26 C27 1.536(8) . ?
C28 C31 1.500(15) . ?
C28 H28A 0.9600 . ?
C28 H28B 0.9600 . ?
C28 H28C 0.9600 . ?
C29 C31 1.514(15) . ?
C29 H29A 0.9600 . ?
C29 H29B 0.9600 . ?
C29 H29C 0.9600 . ?
C30 C31 1.528(15) . ?
C30 H30A 0.9600 . ?
C30 H30B 0.9600 . ?
C30 H30C 0.9600 . ?
C31 C32 1.538(11) . ?

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
N1 Co1 O3 88.5(2) . . ?
N1 Co1 O1 94.9(2) . . ?
O3 Co1 O1 172.76(19) . . ?
N1 Co1 O7 175.5(2) . . ?
O3 Co1 O7 87.80(18) . . ?
O1 Co1 O7 89.10(17) . . ?
N1 Co1 O6 102.7(2) . . ?
O3 Co1 O6 88.54(19) . . ?
O1 Co1 O6 84.47(18) . . ?
O7 Co1 O6 79.82(15) . . ?
N1 Co1 N3 90.7(2) . . ?
O3 Co1 N3 93.2(2) . . ?
O1 Co1 N3 93.1(2) . . ?
O7 Co1 N3 86.92(19) . . ?
O6 Co1 N3 166.5(2) . . ?
N1 Co1 Gd2 125.80(18) . . ?
O3 Co1 Gd2 51.44(13) . . ?
O1 Co1 Gd2 121.82(12) . . ?
O7 Co1 Gd2 53.00(12) . . ?
O6 Co1 Gd2 50.55(12) . . ?
N3 Co1 Gd2 121.83(16) . . ?
N1 Co1 Gd1 135.68(18) . . ?
O3 Co1 Gd1 123.89(13) . . ?
O1 Co1 Gd1 49.91(11) . . ?
O7 Co1 Gd1 48.82(11) . . ?
O6 Co1 Gd1 55.01(13) . . ?
N3 Co1 Gd1 113.85(17) . . ?
Gd2 Co1 Gd1 72.78(3) . . ?
O8 Gd1 O4 91.26(15) . . ?
O8 Gd1 O12 135.85(13) . . ?
O4 Gd1 O12 90.70(13) . . ?
O8 Gd1 O12 70.59(14) . 2_655 ?
O4 Gd1 O12 73.83(13) . 2_655 ?
O12 Gd1 O12 67.72(14) . 2_655 ?
O8 Gd1 O7 86.06(15) . . ?
O4 Gd1 O7 151.91(12) . . ?
O12 Gd1 O7 72.46(12) . . ?
O12 Gd1 O7 78.94(12) 2_655 . ?
O8 Gd1 O1 74.44(15) . . ?
O4 Gd1 O1 138.49(13) . . ?
O12 Gd1 O1 126.75(13) . . ?
O12 Gd1 O1 132.40(13) 2_655 . ?
O7 Gd1 O1 67.29(13) . . ?
O8 Gd1 N2 140.52(16) . . ?
O4 Gd1 N2 73.13(16) . . ?
O12 Gd1 N2 81.57(14) . . ?
O12 Gd1 N2 133.97(14) 2_655 . ?
O7 Gd1 N2 124.23(15) . . ?
O1 Gd1 N2 93.34(15) . . ?
O8 Gd1 O6 130.76(14) . . ?
O4 Gd1 O6 136.14(13) . . ?
O12 Gd1 O6 68.69(12) . . ?
O12 Gd1 O6 126.13(12) 2_655 . ?
O7 Gd1 O6 58.76(12) . . ?
O1 Gd1 O6 61.17(13) . . ?
N2 Gd1 O6 66.01(15) . . ?
O8 Gd1 O2 67.51(15) . . ?
O4 Gd1 O2 80.08(13) . . ?
O12 Gd1 O2 155.53(13) . . ?
O12 Gd1 O2 129.46(13) 2_655 . ?
O7 Gd1 O2 123.87(13) . . ?
O1 Gd1 O2 58.42(14) . . ?
N2 Gd1 O2 74.08(15) . . ?
O6 Gd1 O2 102.65(13) . . ?
O8 Gd1 Co1 93.97(12) . . ?
O4 Gd1 Co1 170.32(9) . . ?
O12 Gd1 Co1 91.21(9) . . ?
O12 Gd1 Co1 115.62(9) 2_655 . ?
O7 Gd1 Co1 36.97(9) . . ?
O1 Gd1 Co1 36.67(10) . . ?
N2 Gd1 Co1 97.78(13) . . ?
O6 Gd1 Co1 37.14(8) . . ?
O2 Gd1 Co1 94.41(10) . . ?
O8 Gd1 Gd2 126.41(12) . . ?
O4 Gd1 Gd2 128.34(9) . . ?
O12 Gd1 Gd2 37.90(9) . . ?
O12 Gd1 Gd2 86.11(9) 2_655 . ?
O7 Gd1 Gd2 41.43(9) . . ?
O1 Gd1 Gd2 89.58(10) . . ?
N2 Gd1 Gd2 90.00(12) . . ?
O6 Gd1 Gd2 40.19(8) . . ?
O2 Gd1 Gd2 142.31(10) . . ?
Co1 Gd1 Gd2 53.38(2) . . ?
O8 Gd1 Gd2 69.75(11) . 2_655 ?
O4 Gd1 Gd2 38.80(9) . 2_655 ?
O12 Gd1 Gd2 85.12(9) . 2_655 ?
O12 Gd1 Gd2 36.97(9) 2_655 2_655 ?
O7 Gd1 Gd2 115.50(9) . 2_655 ?
O1 Gd1 Gd2 143.62(11) . 2_655 ?
N2 Gd1 Gd2 110.18(12) . 2_655 ?
O6 Gd1 Gd2 153.79(8) . 2_655 ?
O2 Gd1 Gd2 100.83(10) . 2_655 ?
Co1 Gd1 Gd2 150.866(19) . 2_655 ?
Gd2 Gd1 Gd2 116.783(16) . 2_655 ?
O12 Gd2 O9 81.66(14) . 2_655 ?
O12 Gd2 O11 134.11(15) . . ?
O9 Gd2 O11 79.78(18) 2_655 . ?
O12 Gd2 O6 71.54(13) . . ?
O9 Gd2 O6 137.44(14) 2_655 . ?
O11 Gd2 O6 95.56(17) . . ?
O12 Gd2 O4 72.17(12) . 2_655 ?
O9 Gd2 O4 72.73(15) 2_655 2_655 ?
O11 Gd2 O4 138.35(17) . 2_655 ?
O6 Gd2 O4 125.81(13) . 2_655 ?
O12 Gd2 O3 128.10(13) . . ?
O9 Gd2 O3 150.21(16) 2_655 . ?
O11 Gd2 O3 78.76(17) . . ?
O6 Gd2 O3 65.40(14) . . ?
O4 Gd2 O3 111.79(14) 2_655 . ?
O12 Gd2 O5 135.62(14) . 2_655 ?
O9 Gd2 O5 80.43(16) 2_655 2_655 ?
O11 Gd2 O5 81.44(18) . 2_655 ?
O6 Gd2 O5 141.20(14) . 2_655 ?
O4 Gd2 O5 63.81(14) 2_655 2_655 ?
O3 Gd2 O5 76.15(15) . 2_655 ?
O12 Gd2 O10 81.42(15) . . ?
O9 Gd2 O10 70.28(16) 2_655 . ?
O11 Gd2 O10 52.83(17) . . ?
O6 Gd2 O10 73.45(14) . . ?
O4 Gd2 O10 136.98(15) 2_655 . ?
O3 Gd2 O10 111.23(16) . . ?
O5 Gd2 O10 128.48(16) 2_655 . ?
O12 Gd2 O7 70.26(12) . . ?
O9 Gd2 O7 139.43(14) 2_655 . ?
O11 Gd2 O7 140.67(16) . . ?
O6 Gd2 O7 59.43(12) . . ?
O4 Gd2 O7 71.14(12) 2_655 . ?
O3 Gd2 O7 63.64(14) . . ?
O5 Gd2 O7 99.41(14) 2_655 . ?
O10 Gd2 O7 130.36(14) . . ?
O12 Gd2 C32 107.9(2) . . ?
O9 Gd2 C32 74.3(2) 2_655 . ?
O11 Gd2 C32 26.4(2) . . ?
O6 Gd2 C32 83.06(18) . . ?
O4 Gd2 C32 146.68(18) 2_655 . ?
O3 Gd2 C32 94.5(2) . . ?
O5 Gd2 C32 105.7(2) 2_655 . ?
O10 Gd2 C32 26.5(2) . . ?
O7 Gd2 C32 141.50(17) . . ?
O12 Gd2 Co1 91.66(9) . . ?
O9 Gd2 Co1 173.17(12) 2_655 . ?
O11 Gd2 Co1 104.14(14) . . ?
O6 Gd2 Co1 37.40(9) . . ?
O4 Gd2 Co1 106.68(9) 2_655 . ?
O3 Gd2 Co1 36.54(10) . . ?
O5 Gd2 Co1 105.56(11) 2_655 . ?
O10 Gd2 Co1 107.44(12) . . ?
O7 Gd2 Co1 37.34(9) . . ?
C32 Gd2 Co1 106.63(15) . . ?
O12 Gd2 Gd1 37.89(8) . . ?
O9 Gd2 Gd1 119.53(12) 2_655 . ?
O11 Gd2 Gd1 137.32(14) . . ?
O6 Gd2 Gd1 43.54(10) . . ?
O4 Gd2 Gd1 84.07(9) 2_655 . ?
O3 Gd2 Gd1 90.21(10) . . ?
O5 Gd2 Gd1 135.95(12) 2_655 . ?
O10 Gd2 Gd1 95.56(11) . . ?
O7 Gd2 Gd1 38.97(8) . . ?
C32 Gd2 Gd1 117.11(17) . . ?
Co1 Gd2 Gd1 53.84(2) . . ?
C8 N1 C9 121.4(6) . . ?
C8 N1 Co1 127.5(5) . . ?
C9 N1 Co1 110.4(4) . . ?
C18 N2 C19 115.7(5) . . ?
C18 N2 Gd1 127.1(4) . . ?
C19 N2 Gd1 117.1(3) . . ?
C22 N3 Co1 106.8(4) . . ?
C22 N3 H3B 110.4 . . ?
Co1 N3 H3B 110.4 . . ?
C22 N3 H3A 110.4 . . ?
Co1 N3 H3A 110.4 . . ?
H3B N3 H3A 108.6 . . ?
O14 N4 O15 118.5(13) . . ?
O14 N4 O13 118.3(12) . . ?
O15 N4 O13 122.8(13) . . ?
C2 O1 Co1 124.8(4) . . ?
C2 O1 Gd1 126.0(4) . . ?
Co1 O1 Gd1 93.42(15) . . ?
C3 O2 C7 117.3(5) . . ?
C3 O2 Gd1 113.6(4) . . ?
C7 O2 Gd1 129.0(4) . . ?
C10 O3 Co1 109.1(4) . . ?
C10 O3 Gd2 124.2(4) . . ?
Co1 O3 Gd2 92.02(17) . . ?
C12 O4 Gd1 131.4(4) . . ?
C12 O4 Gd2 121.8(4) . 2_655 ?
Gd1 O4 Gd2 104.39(14) . 2_655 ?
C13 O5 C17 117.2(5) . . ?
C13 O5 Gd2 121.7(4) . 2_655 ?
C17 O5 Gd2 120.9(4) . 2_655 ?
C20 O6 Co1 121.4(3) . . ?
C20 O6 Gd2 134.9(4) . . ?
Co1 O6 Gd2 92.05(15) . . ?
C20 O6 Gd1 112.9(4) . . ?
Co1 O6 Gd1 87.85(15) . . ?
Gd2 O6 Gd1 96.27(13) . . ?
C21 O7 Co1 110.0(3) . . ?
C21 O7 Gd1 130.9(4) . . ?
Co1 O7 Gd1 94.21(14) . . ?
C21 O7 Gd2 121.7(3) . . ?
Co1 O7 Gd2 89.66(15) . . ?
Gd1 O7 Gd2 99.60(12) . . ?
C27 O8 Gd1 128.7(4) . . ?
C27 O9 Gd2 130.9(4) . 2_655 ?
C32 O10 Gd2 90.7(4) . . ?
C32 O11 Gd2 94.4(5) . . ?
Gd1 O12 Gd2 104.21(13) . . ?
Gd1 O12 Gd1 112.28(14) . 2_655 ?
Gd2 O12 Gd1 105.79(13) . 2_655 ?
Gd1 O12 H12 110.9 . . ?
Gd2 O12 H12 110.9 . . ?
Gd1 O12 H12 112.3 2_655 . ?
C6 C1 C2 118.6(7) . . ?
C6 C1 C8 118.8(6) . . ?
C2 C1 C8 122.5(6) . . ?
O1 C2 C3 117.3(6) . . ?
O1 C2 C1 123.6(6) . . ?
C3 C2 C1 119.2(6) . . ?
O2 C3 C4 125.3(7) . . ?
O2 C3 C2 115.0(5) . . ?
C4 C3 C2 119.7(7) . . ?
C3 C4 C5 121.1(8) . . ?
C3 C4 H4A 119.4 . . ?
C5 C4 H4A 119.4 . . ?
C6 C5 C4 119.5(7) . . ?
C6 C5 H5A 120.2 . . ?
C4 C5 H5A 120.2 . . ?
C5 C6 C1 121.5(7) . . ?
C5 C6 H6A 119.2 . . ?
C1 C6 H6A 119.2 . . ?
O2 C7 H7A 109.5 . . ?
O2 C7 H7B 109.5 . . ?
H7A C7 H7B 109.5 . . ?
O2 C7 H7C 109.5 . . ?
H7A C7 H7C 109.5 . . ?
H7B C7 H7C 109.5 . . ?
N1 C8 C1 124.5(6) . . ?
N1 C8 H8A 117.8 . . ?
C1 C8 H8A 117.8 . . ?
N1 C9 C10 105.5(5) . . ?
N1 C9 H9A 110.6 . . ?
C10 C9 H9A 110.6 . . ?
N1 C9 H9B 110.6 . . ?
C10 C9 H9B 110.6 . . ?
H9A C9 H9B 108.8 . . ?
O3 C10 C9 109.1(6) . . ?
O3 C10 H10A 109.9 . . ?
C9 C10 H10A 109.9 . . ?
O3 C10 H10B 109.9 . . ?
C9 C10 H10B 109.9 . . ?
H10A C10 H10B 108.3 . . ?
C12 C11 C16 119.3(6) . . ?
C12 C11 C18 124.6(5) . . ?
C16 C11 C18 115.9(6) . . ?
O4 C12 C11 124.5(6) . . ?
O4 C12 C13 118.0(5) . . ?
C11 C12 C13 117.5(5) . . ?
O5 C13 C14 124.5(6) . . ?
O5 C13 C12 114.3(5) . . ?
C14 C13 C12 121.3(6) . . ?
C15 C14 C13 120.2(7) . . ?
C15 C14 H14A 119.9 . . ?
C13 C14 H14A 119.9 . . ?
C16 C15 C14 120.1(6) . . ?
C16 C15 H15A 120.0 . . ?
C14 C15 H15A 120.0 . . ?
C15 C16 C11 121.4(7) . . ?
C15 C16 H16A 119.3 . . ?
C11 C16 H16A 119.3 . . ?
O5 C17 H17A 109.5 . . ?
O5 C17 H17B 109.5 . . ?
H17A C17 H17B 109.5 . . ?
O5 C17 H17C 109.5 . . ?
H17A C17 H17C 109.5 . . ?
H17B C17 H17C 109.5 . . ?
N2 C18 C11 127.6(6) . . ?
N2 C18 H18A 116.2 . . ?
C11 C18 H18A 116.2 . . ?
N2 C19 C20 110.7(5) . . ?
N2 C19 H19A 109.5 . . ?
C20 C19 H19A 109.5 . . ?
N2 C19 H19B 109.5 . . ?
C20 C19 H19B 109.5 . . ?
H19A C19 H19B 108.1 . . ?
O6 C20 C19 109.3(5) . . ?
O6 C20 H20A 109.8 . . ?
C19 C20 H20A 109.8 . . ?
O6 C20 H20B 109.8 . . ?
C19 C20 H20B 109.8 . . ?
H20A C20 H20B 108.3 . . ?
O7 C21 C22 107.0(5) . . ?
O7 C21 H21A 110.3 . . ?
C22 C21 H21A 110.3 . . ?
O7 C21 H21B 110.3 . . ?
C22 C21 H21B 110.3 . . ?
H21A C21 H21B 108.6 . . ?
N3 C22 C21 106.7(5) . . ?
N3 C22 H22A 110.4 . . ?
C21 C22 H22A 110.4 . . ?
N3 C22 H22B 110.4 . . ?
C21 C22 H22B 110.4 . . ?
H22A C22 H22B 108.6 . . ?
C26 C23 H23A 109.5 . . ?
C26 C23 H23B 109.5 . . ?
H23A C23 H23B 109.5 . . ?
C26 C23 H23C 109.5 . . ?
H23A C23 H23C 109.5 . . ?
H23B C23 H23C 109.5 . . ?
C26 C24 H24A 109.5 . . ?
C26 C24 H24B 109.5 . . ?
H24A C24 H24B 109.5 . . ?
C26 C24 H24C 109.5 . . ?
H24A C24 H24C 109.5 . . ?
H24B C24 H24C 109.5 . . ?
C26 C25 H25A 109.5 . . ?
C26 C25 H25B 109.5 . . ?
H25A C25 H25B 109.5 . . ?
C26 C25 H25C 109.5 . . ?
H25A C25 H25C 109.5 . . ?
H25B C25 H25C 109.5 . . ?
C24 C26 C25 107.1(8) . . ?
C24 C26 C23 112.5(10) . . ?
C25 C26 C23 110.2(8) . . ?
C24 C26 C27 107.0(7) . . ?
C25 C26 C27 110.2(7) . . ?
C23 C26 C27 109.7(7) . . ?
O8 C27 O9 124.6(5) . . ?
O8 C27 C26 116.1(6) . . ?
O9 C27 C26 119.2(6) . . ?
C31 C28 H28A 109.5 . . ?
C31 C28 H28B 109.5 . . ?
H28A C28 H28B 109.5 . . ?
C31 C28 H28C 109.5 . . ?
H28A C28 H28C 109.5 . . ?
H28B C28 H28C 109.5 . . ?
C31 C29 H29A 109.5 . . ?
C31 C29 H29B 109.5 . . ?
H29A C29 H29B 109.5 . . ?
C31 C29 H29C 109.5 . . ?
H29A C29 H29C 109.5 . . ?
H29B C29 H29C 109.5 . . ?
C31 C30 H30A 109.5 . . ?
C31 C30 H30B 109.5 . . ?
H30A C30 H30B 109.5 . . ?
C31 C30 H30C 109.5 . . ?
H30A C30 H30C 109.5 . . ?
H30B C30 H30C 109.5 . . ?
C28 C31 C29 109.2(10) . . ?
C28 C31 C30 110.6(10) . . ?
C29 C31 C30 107.0(10) . . ?
C28 C31 C32 109.7(8) . . ?
C29 C31 C32 108.7(8) . . ?
C30 C31 C32 111.6(8) . . ?
O11 C32 O10 121.9(7) . . ?
O11 C32 C31 118.2(8) . . ?
O10 C32 C31 119.9(8) . . ?
O11 C32 Gd2 59.2(4) . . ?
O10 C32 Gd2 62.8(4) . . ?
C31 C32 Gd2 175.2(6) . . ?

_diffrn_measured_fraction_theta_max 0.978
_diffrn_reflns_theta_full        27.58
_diffrn_measured_fraction_theta_full 0.978
_refine_diff_density_max         2.857
_refine_diff_density_min         -2.878
_refine_diff_density_rms         0.150


# SQUEEZE RESULTS (APPEND TO CIF)
loop_
_platon_squeeze_void_nr
_platon_squeeze_void_average_x
_platon_squeeze_void_average_y
_platon_squeeze_void_average_z
_platon_squeeze_void_volume
_platon_squeeze_void_count_electrons
1 0.000 0.500 0.500 279.7 15.8
2 0.161 0.747 0.814 25.7 0.8
3 0.446 0.525 0.148 9.4 0.5
4 0.554 0.475 0.852 9.5 0.4
5 0.838 0.253 0.186 24.5 0.4
_platon_squeeze_details          
; ?
;
_database_code_depnum_ccdc_archive 'CCDC 948362'
#######################################################################
#
#                 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_Compound_3Tb

_audit_creation_method           SHELXL-97
_chemical_name_systematic        
; 
 ? 
;
_chemical_name_common            ?
_chemical_melting_point          ?
_chemical_formula_moiety         ?
_chemical_formula_sum            'C64 H94 Co2 N8 O30 Tb4'
_chemical_formula_weight         2209.01

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'
Co Co 0.3494 0.9721 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Tb Tb -0.1723 4.1537 '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                   11.568(5)
_cell_length_b                   13.976(6)
_cell_length_c                   15.460(7)
_cell_angle_alpha                75.651(15)
_cell_angle_beta                 68.137(14)
_cell_angle_gamma                70.478(15)
_cell_volume                     2164.6(17)
_cell_formula_units_Z            1
_cell_measurement_temperature    293(2)
_cell_measurement_reflns_used    4591
_cell_measurement_theta_min      2.7800
_cell_measurement_theta_max      27.5633

_exptl_crystal_description       Prism
_exptl_crystal_colour            'Orange yellow'
_exptl_crystal_size_max          0.2000
_exptl_crystal_size_mid          0.1500
_exptl_crystal_size_min          0.1500
_exptl_crystal_density_meas      ?
_exptl_crystal_density_diffrn    1.695
_exptl_crystal_density_method    'not measured'
_exptl_crystal_F_000             1088
_exptl_absorpt_coefficient_mu    3.675
_exptl_absorpt_correction_type   Multi-scan
_exptl_absorpt_correction_T_min  0.9017
_exptl_absorpt_correction_T_max  1.0000
_exptl_absorpt_process_details   'CrystalClear (Rigaku Inc., 2007)'

_exptl_special_details           
; 
 ? 
;

_diffrn_ambient_temperature      293(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  'Mercury70 (2x2 bin mode)'
_diffrn_measurement_method       CCD_Profile_fitting
_diffrn_detector_area_resol_mean 14.6306
_diffrn_standards_number         ?
_diffrn_standards_interval_count ?
_diffrn_standards_interval_time  ?
_diffrn_standards_decay_%        ?
_diffrn_reflns_number            19203
_diffrn_reflns_av_R_equivalents  0.0349
_diffrn_reflns_av_unetI/netI     0.0466
_diffrn_reflns_limit_h_min       -13
_diffrn_reflns_limit_h_max       13
_diffrn_reflns_limit_k_min       -16
_diffrn_reflns_limit_k_max       16
_diffrn_reflns_limit_l_min       -18
_diffrn_reflns_limit_l_max       18
_diffrn_reflns_theta_min         2.84
_diffrn_reflns_theta_max         25.00
_reflns_number_total             7584
_reflns_number_gt                6335
_reflns_threshold_expression     >2sigma(I)

_computing_data_collection       'CrystalClear (Rigaku Inc., 2007)'
_computing_cell_refinement       'CrystalClear (Rigaku Inc., 2007)'
_computing_data_reduction        'CrystalClear (Rigaku Inc., 2007)'
_computing_structure_solution    'SHELXS-97 (Sheldrick, 1990)'
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 1997)'
_computing_molecular_graphics    'DIAMOND. Version 3.0. Crystal Impact'
_computing_publication_material  'Windows Word 2003'

_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.
 
 Since the position of the disordered water molecules could not be resolved
 from the Fourier maps, PLATON/SQUEEZE was used to compensate the data for
 their contribution to the diffraction patterns. The final chemical formula 
 was calculated from SQUEEZE results combined with the TGA and elemental 
 analysis data. Besides, the O14, O15, C28, C29 and C30 atoms were refined 
 isotropically. 
;

_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)+(0.0453P)²+10.5552P] 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         7584
_refine_ls_number_parameters     489
_refine_ls_number_restraints     55
_refine_ls_R_factor_all          0.0579
_refine_ls_R_factor_gt           0.0475
_refine_ls_wR_factor_ref         0.1212
_refine_ls_wR_factor_gt          0.1135
_refine_ls_goodness_of_fit_ref   1.099
_refine_ls_restrained_S_all      1.111
_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
Co1 Co -0.31167(10) 0.02112(9) 0.71053(7) 0.0407(3) Uani 1 1 d . . .
Tb1 Tb -0.49748(3) -0.06642(3) 0.90047(2) 0.03360(12) Uani 1 1 d . . .
Tb2 Tb -0.43491(4) 0.19103(3) 0.84412(3) 0.03904(13) Uani 1 1 d . . .
N1 N -0.2968(7) 0.0438(6) 0.5822(4) 0.0513(18) Uani 1 1 d . . .
N2 N -0.7036(6) 0.0122(5) 0.8622(5) 0.0427(16) Uani 1 1 d . . .
N3 N -0.1309(6) -0.0563(6) 0.6830(5) 0.0553(19) Uani 1 1 d . . .
H3B H -0.1111 -0.1008 0.6431 0.066 Uiso 1 1 calc R . .
H3A H -0.0794 -0.0138 0.6565 0.066 Uiso 1 1 calc R . .
N4 N 0.0746(10) 0.1024(10) 0.6410(9) 0.093(3) Uani 1 1 d . . .
O1 O -0.3716(5) -0.0975(4) 0.7397(4) 0.0462(14) Uani 1 1 d . . .
O2 O -0.5281(6) -0.2132(5) 0.8200(4) 0.0530(15) Uani 1 1 d . . .
O3 O -0.2743(5) 0.1467(4) 0.6929(4) 0.0491(14) Uani 1 1 d . . .
O4 O -0.6571(5) -0.1267(4) 1.0262(3) 0.0380(12) Uani 1 1 d . . .
O5 O -0.7439(6) -0.2590(5) 1.1700(4) 0.0564(16) Uani 1 1 d . . .
O6 O -0.4890(5) 0.0897(4) 0.7663(3) 0.0404(12) Uani 1 1 d . . .
O7 O -0.3175(5) 0.0046(4) 0.8387(4) 0.0378(12) Uani 1 1 d . . .
O8 O -0.3463(6) -0.2255(4) 0.9133(4) 0.0480(14) Uani 1 1 d . . .
O9 O -0.4536(6) -0.3103(5) 1.0452(4) 0.0523(15) Uani 1 1 d . . .
O10 O -0.6509(6) 0.2901(5) 0.8263(5) 0.0606(17) Uani 1 1 d . . .
O11 O -0.4827(7) 0.3473(5) 0.7409(5) 0.0649(17) Uani 1 1 d . . .
O12 O -0.5613(5) 0.0900(4) 0.9611(3) 0.0354(11) Uani 1 1 d D . .
H12 H -0.6413(11) 0.1186(5) 0.9700(4) 0.042 Uiso 1 1 d RD . .
O13 O 0.0393(9) 0.0907(10) 0.5774(8) 0.127(4) Uani 1 1 d . . .
O14 O 0.0878(13) 0.0317(12) 0.6999(10) 0.158(5) Uani 1 1 d U . .
O15 O 0.1036(13) 0.1797(11) 0.6321(10) 0.152(5) Uani 1 1 d U . .
C1 C -0.3763(9) -0.0950(7) 0.5850(6) 0.054(2) Uani 1 1 d . . .
C2 C -0.4097(8) -0.1281(7) 0.6826(6) 0.047(2) Uani 1 1 d . . .
C3 C -0.4888(9) -0.1963(7) 0.7230(6) 0.051(2) Uani 1 1 d . . .
C4 C -0.5240(11) -0.2382(9) 0.6676(8) 0.073(3) Uani 1 1 d . . .
H4A H -0.5749 -0.2840 0.6945 0.087 Uiso 1 1 calc R . .
C5 C -0.4806(13) -0.2097(10) 0.5685(8) 0.087(4) Uani 1 1 d . . .
H5A H -0.4991 -0.2405 0.5301 0.104 Uiso 1 1 calc R . .
C6 C -0.4135(11) -0.1396(9) 0.5291(7) 0.071(3) Uani 1 1 d . . .
H6A H -0.3908 -0.1195 0.4643 0.085 Uiso 1 1 calc R . .
C7 C -0.5834(10) -0.2980(7) 0.8649(7) 0.062(3) Uani 1 1 d . . .
H7A H -0.5792 -0.3339 0.8178 0.093 Uiso 1 1 calc R . .
H7B H -0.6721 -0.2730 0.9017 0.093 Uiso 1 1 calc R . .
H7C H -0.5360 -0.3439 0.9052 0.093 Uiso 1 1 calc R . .
C8 C -0.3195(9) -0.0117(7) 0.5392(6) 0.055(2) Uani 1 1 d . . .
H8A H -0.2977 0.0030 0.4740 0.066 Uiso 1 1 calc R . .
C9 C -0.2348(10) 0.1266(8) 0.5331(6) 0.061(3) Uani 1 1 d . . .
H9A H -0.2579 0.1587 0.4764 0.073 Uiso 1 1 calc R . .
H9B H -0.1415 0.1007 0.5161 0.073 Uiso 1 1 calc R . .
C10 C -0.2851(10) 0.2018(8) 0.6022(6) 0.061(2) Uani 1 1 d . . .
H10A H -0.2355 0.2519 0.5798 0.073 Uiso 1 1 calc R . .
H10B H -0.3749 0.2378 0.6083 0.073 Uiso 1 1 calc R . .
C11 C -0.8280(7) -0.1083(6) 0.9635(6) 0.047(2) Uani 1 1 d . . .
C12 C -0.7615(7) -0.1504(6) 1.0299(6) 0.0414(18) Uani 1 1 d . . .
C13 C -0.8088(7) -0.2252(6) 1.1054(6) 0.0438(19) Uani 1 1 d . . .
C14 C -0.9140(9) -0.2557(7) 1.1112(7) 0.058(2) Uani 1 1 d . . .
H14A H -0.9448 -0.3027 1.1618 0.069 Uiso 1 1 calc R . .
C15 C -0.9731(9) -0.2172(8) 1.0430(8) 0.063(3) Uani 1 1 d . . .
H15A H -1.0402 -0.2413 1.0454 0.076 Uiso 1 1 calc R . .
C16 C -0.9337(9) -0.1434(8) 0.9716(8) 0.061(3) Uani 1 1 d . . .
H16A H -0.9771 -0.1156 0.9273 0.074 Uiso 1 1 calc R . .
C17 C -0.7911(12) -0.3295(9) 1.2510(7) 0.080(3) Uani 1 1 d . . .
H17A H -0.7378 -0.3478 1.2907 0.121 Uiso 1 1 calc R . .
H17B H -0.7884 -0.3900 1.2307 0.121 Uiso 1 1 calc R . .
H17C H -0.8786 -0.2976 1.2855 0.121 Uiso 1 1 calc R . .
C18 C -0.8028(8) -0.0206(7) 0.8889(7) 0.051(2) Uani 1 1 d . . .
H18A H -0.8651 0.0131 0.8592 0.062 Uiso 1 1 calc R . .
C19 C -0.7125(8) 0.1086(7) 0.7955(6) 0.049(2) Uani 1 1 d . . .
H19A H -0.7404 0.1664 0.8294 0.059 Uiso 1 1 calc R . .
H19B H -0.7764 0.1163 0.7659 0.059 Uiso 1 1 calc R . .
C20 C -0.5854(9) 0.1083(7) 0.7220(6) 0.053(2) Uani 1 1 d . . .
H20A H -0.5615 0.0552 0.6835 0.063 Uiso 1 1 calc R . .
H20B H -0.5911 0.1738 0.6816 0.063 Uiso 1 1 calc R . .
C21 C -0.1900(7) -0.0375(7) 0.8460(7) 0.053(2) Uani 1 1 d . . .
H21A H -0.1937 -0.0734 0.9089 0.064 Uiso 1 1 calc R . .
H21B H -0.1487 0.0167 0.8333 0.064 Uiso 1 1 calc R . .
C22 C -0.1138(8) -0.1117(7) 0.7738(6) 0.054(2) Uani 1 1 d . . .
H22A H -0.0230 -0.1335 0.7689 0.065 Uiso 1 1 calc R . .
H22B H -0.1462 -0.1719 0.7922 0.065 Uiso 1 1 calc R . .
C23 C -0.3076(15) -0.4961(9) 0.9971(11) 0.123(6) Uani 1 1 d . . .
H23A H -0.2425 -0.5586 0.9808 0.185 Uiso 1 1 calc R . .
H23B H -0.3831 -0.4934 0.9834 0.185 Uiso 1 1 calc R . .
H23C H -0.3297 -0.4938 1.0630 0.185 Uiso 1 1 calc R . .
C24 C -0.1421(13) -0.4036(12) 0.9624(11) 0.124(6) Uani 1 1 d . . .
H24A H -0.1241 -0.3383 0.9361 0.186 Uiso 1 1 calc R . .
H24B H -0.0684 -0.4570 0.9354 0.186 Uiso 1 1 calc R . .
H24C H -0.1601 -0.4138 1.0293 0.186 Uiso 1 1 calc R . .
C25 C -0.2202(12) -0.4078(9) 0.8360(8) 0.087(4) Uani 1 1 d . . .
H25A H -0.1911 -0.3484 0.8015 0.130 Uiso 1 1 calc R . .
H25B H -0.2943 -0.4074 0.8217 0.130 Uiso 1 1 calc R . .
H25C H -0.1523 -0.4686 0.8186 0.130 Uiso 1 1 calc R . .
C26 C -0.2567(9) -0.4063(7) 0.9409(7) 0.063(3) Uani 1 1 d . . .
C27 C -0.3606(9) -0.3034(7) 0.9679(7) 0.056(2) Uani 1 1 d . . .
C28 C -0.6817(17) 0.5413(12) 0.7220(12) 0.128(4) Uani 1 1 d U . .
H28A H -0.7320 0.5943 0.6873 0.192 Uiso 1 1 calc R . .
H28B H -0.5944 0.5466 0.6990 0.192 Uiso 1 1 calc R . .
H28C H -0.7183 0.5490 0.7875 0.192 Uiso 1 1 calc R . .
C29 C -0.6306(15) 0.4324(12) 0.6067(10) 0.122(4) Uani 1 1 d U . .
H29A H -0.6823 0.4877 0.5747 0.183 Uiso 1 1 calc R . .
H29B H -0.6333 0.3681 0.5969 0.183 Uiso 1 1 calc R . .
H29C H -0.5428 0.4368 0.5825 0.183 Uiso 1 1 calc R . .
C30 C -0.8229(14) 0.4377(12) 0.7481(11) 0.119(4) Uani 1 1 d U . .
H30A H -0.8716 0.4921 0.7132 0.178 Uiso 1 1 calc R . .
H30B H -0.8572 0.4468 0.8133 0.178 Uiso 1 1 calc R . .
H30C H -0.8290 0.3730 0.7419 0.178 Uiso 1 1 calc R . .
C31 C -0.6826(13) 0.4397(10) 0.7099(9) 0.088(3) Uani 1 1 d U . .
C32 C -0.6001(12) 0.3529(9) 0.7626(8) 0.071(2) Uani 1 1 d U . .


_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
Co1 O3 1.877(6) . ?
Co1 N1 1.880(7) . ?
Co1 O1 1.897(6) . ?
Co1 O6 1.911(5) . ?
Co1 O7 1.916(5) . ?
Co1 N3 1.944(7) . ?
Co1 Tb2 3.1484(16) . ?
Co1 Tb1 3.1648(15) . ?
Tb1 O4 2.335(5) . ?
Tb1 O8 2.342(6) . ?
Tb1 O12 2.372(5) . ?
Tb1 O7 2.380(5) . ?
Tb1 O12 2.395(5) 2_457 ?
Tb1 O1 2.430(5) . ?
Tb1 N2 2.493(6) . ?
Tb1 O6 2.611(5) . ?
Tb1 O2 2.820(6) . ?
Tb1 Tb2 3.7346(17) . ?
Tb1 Tb2 3.7997(17) 2_457 ?
Tb2 O12 2.355(5) . ?
Tb2 O9 2.389(6) 2_457 ?
Tb2 O11 2.397(7) . ?
Tb2 O6 2.417(5) . ?
Tb2 O4 2.453(5) 2_457 ?
Tb2 O3 2.453(5) . ?
Tb2 O5 2.471(6) 2_457 ?
Tb2 O10 2.499(6) . ?
Tb2 O7 2.510(5) . ?
Tb2 C32 2.802(11) . ?
N1 C8 1.280(11) . ?
N1 C9 1.464(11) . ?
N2 C18 1.267(11) . ?
N2 C19 1.478(11) . ?
N3 C22 1.474(12) . ?
N3 H3B 0.9000 . ?
N3 H3A 0.9000 . ?
N4 O14 1.177(15) . ?
N4 O15 1.197(14) . ?
N4 O13 1.259(14) . ?
O1 C2 1.325(9) . ?
O2 C3 1.379(10) . ?
O2 C7 1.438(10) . ?
O3 C10 1.451(11) . ?
O4 C12 1.333(9) . ?
O4 Tb2 2.453(5) 2_457 ?
O5 C13 1.368(10) . ?
O5 C17 1.440(11) . ?
O5 Tb2 2.471(6) 2_457 ?
O6 C20 1.438(9) . ?
O7 C21 1.429(9) . ?
O8 C27 1.219(11) . ?
O9 C27 1.284(11) . ?
O9 Tb2 2.389(6) 2_457 ?
O10 C32 1.254(13) . ?
O11 C32 1.252(13) . ?
O12 Tb1 2.395(5) 2_457 ?
O12 H12 0.8488 . ?
C1 C2 1.407(12) . ?
C1 C8 1.430(13) . ?
C1 C6 1.430(13) . ?
C2 C3 1.414(12) . ?
C3 C4 1.382(12) . ?
C4 C5 1.419(15) . ?
C4 H4A 0.9300 . ?
C5 C6 1.340(16) . ?
C5 H5A 0.9300 . ?
C6 H6A 0.9300 . ?
C7 H7A 0.9600 . ?
C7 H7B 0.9600 . ?
C7 H7C 0.9600 . ?
C8 H8A 0.9300 . ?
C9 C10 1.506(13) . ?
C9 H9A 0.9700 . ?
C9 H9B 0.9700 . ?
C10 H10A 0.9700 . ?
C10 H10B 0.9700 . ?
C11 C12 1.407(12) . ?
C11 C16 1.417(11) . ?
C11 C18 1.486(13) . ?
C12 C13 1.434(12) . ?
C13 C14 1.385(11) . ?
C14 C15 1.371(14) . ?
C14 H14A 0.9300 . ?
C15 C16 1.366(14) . ?
C15 H15A 0.9300 . ?
C16 H16A 0.9300 . ?
C17 H17A 0.9600 . ?
C17 H17B 0.9600 . ?
C17 H17C 0.9600 . ?
C18 H18A 0.9300 . ?
C19 C20 1.486(12) . ?
C19 H19A 0.9700 . ?
C19 H19B 0.9700 . ?
C20 H20A 0.9700 . ?
C20 H20B 0.9700 . ?
C21 C22 1.526(12) . ?
C21 H21A 0.9700 . ?
C21 H21B 0.9700 . ?
C22 H22A 0.9700 . ?
C22 H22B 0.9700 . ?
C23 C26 1.500(15) . ?
C23 H23A 0.9600 . ?
C23 H23B 0.9600 . ?
C23 H23C 0.9600 . ?
C24 C26 1.495(17) . ?
C24 H24A 0.9600 . ?
C24 H24B 0.9600 . ?
C24 H24C 0.9600 . ?
C25 C26 1.521(15) . ?
C25 H25A 0.9600 . ?
C25 H25B 0.9600 . ?
C25 H25C 0.9600 . ?
C26 C27 1.566(12) . ?
C28 C31 1.481(19) . ?
C28 H28A 0.9600 . ?
C28 H28B 0.9600 . ?
C28 H28C 0.9600 . ?
C29 C31 1.497(18) . ?
C29 H29A 0.9600 . ?
C29 H29B 0.9600 . ?
C29 H29C 0.9600 . ?
C30 C31 1.515(18) . ?
C30 H30A 0.9600 . ?
C30 H30B 0.9600 . ?
C30 H30C 0.9600 . ?
C31 C32 1.537(16) . ?

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 Co1 N1 88.4(3) . . ?
O3 Co1 O1 172.2(2) . . ?
N1 Co1 O1 95.1(3) . . ?
O3 Co1 O6 87.6(2) . . ?
N1 Co1 O6 102.1(3) . . ?
O1 Co1 O6 84.9(2) . . ?
O3 Co1 O7 87.5(2) . . ?
N1 Co1 O7 175.4(3) . . ?
O1 Co1 O7 89.2(2) . . ?
O6 Co1 O7 79.8(2) . . ?
O3 Co1 N3 93.2(3) . . ?
N1 Co1 N3 90.8(3) . . ?
O1 Co1 N3 93.7(3) . . ?
O6 Co1 N3 167.0(3) . . ?
O7 Co1 N3 87.3(3) . . ?
O3 Co1 Tb2 51.12(16) . . ?
N1 Co1 Tb2 125.3(2) . . ?
O1 Co1 Tb2 121.65(16) . . ?
O6 Co1 Tb2 50.08(15) . . ?
O7 Co1 Tb2 52.87(16) . . ?
N3 Co1 Tb2 121.8(2) . . ?
O3 Co1 Tb1 123.34(17) . . ?
N1 Co1 Tb1 135.9(2) . . ?
O1 Co1 Tb1 50.04(15) . . ?
O6 Co1 Tb1 55.50(16) . . ?
O7 Co1 Tb1 48.57(15) . . ?
N3 Co1 Tb1 114.3(2) . . ?
Tb2 Co1 Tb1 72.53(4) . . ?
O4 Tb1 O8 90.8(2) . . ?
O4 Tb1 O12 91.22(17) . . ?
O8 Tb1 O12 135.97(18) . . ?
O4 Tb1 O7 151.73(17) . . ?
O8 Tb1 O7 86.0(2) . . ?
O12 Tb1 O7 72.30(17) . . ?
O4 Tb1 O12 73.29(17) . 2_457 ?
O8 Tb1 O12 70.22(18) . 2_457 ?
O12 Tb1 O12 68.4(2) . 2_457 ?
O7 Tb1 O12 79.22(17) . 2_457 ?
O4 Tb1 O1 138.09(18) . . ?
O8 Tb1 O1 74.5(2) . . ?
O12 Tb1 O1 126.67(18) . . ?
O7 Tb1 O1 67.65(18) . . ?
O12 Tb1 O1 132.63(18) 2_457 . ?
O4 Tb1 N2 73.5(2) . . ?
O8 Tb1 N2 140.4(2) . . ?
O12 Tb1 N2 81.61(19) . . ?
O7 Tb1 N2 124.4(2) . . ?
O12 Tb1 N2 134.09(19) 2_457 . ?
O1 Tb1 N2 93.1(2) . . ?
O4 Tb1 O6 136.75(17) . . ?
O8 Tb1 O6 130.65(18) . . ?
O12 Tb1 O6 68.46(16) . . ?
O7 Tb1 O6 58.70(16) . . ?
O12 Tb1 O6 126.57(16) 2_457 . ?
O1 Tb1 O6 61.17(18) . . ?
N2 Tb1 O6 66.23(19) . . ?
O4 Tb1 O2 79.50(17) . . ?
O8 Tb1 O2 67.70(19) . . ?
O12 Tb1 O2 155.20(18) . . ?
O7 Tb1 O2 124.37(17) . . ?
O12 Tb1 O2 128.84(17) 2_457 . ?
O1 Tb1 O2 58.59(18) . . ?
N2 Tb1 O2 73.7(2) . . ?
O6 Tb1 O2 102.91(17) . . ?
O4 Tb1 Co1 170.57(12) . . ?
O8 Tb1 Co1 93.88(15) . . ?
O12 Tb1 Co1 91.12(12) . . ?
O7 Tb1 Co1 37.14(12) . . ?
O12 Tb1 Co1 116.03(12) 2_457 . ?
O1 Tb1 Co1 36.77(14) . . ?
N2 Tb1 Co1 97.82(16) . . ?
O6 Tb1 Co1 37.09(11) . . ?
O2 Tb1 Co1 94.69(13) . . ?
O4 Tb1 Tb2 128.65(13) . . ?
O8 Tb1 Tb2 126.48(15) . . ?
O12 Tb1 Tb2 37.66(12) . . ?
O7 Tb1 Tb2 41.52(12) . . ?
O12 Tb1 Tb2 86.69(12) 2_457 . ?
O1 Tb1 Tb2 89.78(14) . . ?
N2 Tb1 Tb2 90.03(16) . . ?
O6 Tb1 Tb2 40.08(11) . . ?
O2 Tb1 Tb2 142.54(12) . . ?
Co1 Tb1 Tb2 53.53(3) . . ?
O4 Tb1 Tb2 38.58(12) . 2_457 ?
O8 Tb1 Tb2 69.58(14) . 2_457 ?
O12 Tb1 Tb2 85.50(12) . 2_457 ?
O7 Tb1 Tb2 115.36(12) . 2_457 ?
O12 Tb1 Tb2 36.52(12) 2_457 2_457 ?
O1 Tb1 Tb2 143.45(14) . 2_457 ?
N2 Tb1 Tb2 110.29(15) . 2_457 ?
O6 Tb1 Tb2 153.94(11) . 2_457 ?
O2 Tb1 Tb2 100.47(13) . 2_457 ?
Co1 Tb1 Tb2 150.80(3) . 2_457 ?
Tb2 Tb1 Tb2 116.89(2) . 2_457 ?
O12 Tb2 O9 82.13(19) . 2_457 ?
O12 Tb2 O11 134.2(2) . . ?
O9 Tb2 O11 79.4(2) 2_457 . ?
O12 Tb2 O6 72.13(17) . . ?
O9 Tb2 O6 137.69(19) 2_457 . ?
O11 Tb2 O6 94.9(2) . . ?
O12 Tb2 O4 71.88(16) . 2_457 ?
O9 Tb2 O4 73.11(19) 2_457 2_457 ?
O11 Tb2 O4 138.6(2) . 2_457 ?
O6 Tb2 O4 126.17(18) . 2_457 ?
O12 Tb2 O3 128.29(18) . . ?
O9 Tb2 O3 149.6(2) 2_457 . ?
O11 Tb2 O3 78.4(2) . . ?
O6 Tb2 O3 65.12(18) . . ?
O4 Tb2 O3 112.03(19) 2_457 . ?
O12 Tb2 O5 136.02(19) . 2_457 ?
O9 Tb2 O5 80.0(2) 2_457 2_457 ?
O11 Tb2 O5 80.9(2) . 2_457 ?
O6 Tb2 O5 140.95(19) . 2_457 ?
O4 Tb2 O5 64.54(18) 2_457 2_457 ?
O3 Tb2 O5 76.1(2) . 2_457 ?
O12 Tb2 O10 81.33(19) . . ?
O9 Tb2 O10 69.6(2) 2_457 . ?
O11 Tb2 O10 52.9(2) . . ?
O6 Tb2 O10 73.72(19) . . ?
O4 Tb2 O10 136.4(2) 2_457 . ?
O3 Tb2 O10 111.6(2) . . ?
O5 Tb2 O10 127.7(2) 2_457 . ?
O12 Tb2 O7 70.27(17) . . ?
O9 Tb2 O7 139.99(19) 2_457 . ?
O11 Tb2 O7 140.5(2) . . ?
O6 Tb2 O7 59.71(17) . . ?
O4 Tb2 O7 71.12(17) 2_457 . ?
O3 Tb2 O7 63.81(18) . . ?
O5 Tb2 O7 99.94(19) 2_457 . ?
O10 Tb2 O7 130.67(18) . . ?
O12 Tb2 C32 107.9(3) . . ?
O9 Tb2 C32 73.8(3) 2_457 . ?
O11 Tb2 C32 26.4(3) . . ?
O6 Tb2 C32 82.7(2) . . ?
O4 Tb2 C32 146.6(2) 2_457 . ?
O3 Tb2 C32 94.4(3) . . ?
O5 Tb2 C32 105.1(3) 2_457 . ?
O10 Tb2 C32 26.6(3) . . ?
O7 Tb2 C32 141.5(2) . . ?
O12 Tb2 Co1 91.83(12) . . ?
O9 Tb2 Co1 173.70(15) 2_457 . ?
O11 Tb2 Co1 103.79(17) . . ?
O6 Tb2 Co1 37.32(12) . . ?
O4 Tb2 Co1 106.82(13) 2_457 . ?
O3 Tb2 Co1 36.56(13) . . ?
O5 Tb2 Co1 105.72(15) 2_457 . ?
O10 Tb2 Co1 107.84(15) . . ?
O7 Tb2 Co1 37.49(12) . . ?
C32 Tb2 Co1 106.6(2) . . ?
O12 Tb2 Tb1 37.97(12) . . ?
O9 Tb2 Tb1 120.09(15) 2_457 . ?
O11 Tb2 Tb1 137.19(17) . . ?
O6 Tb2 Tb1 44.07(13) . . ?
O4 Tb2 Tb1 83.91(12) 2_457 . ?
O3 Tb2 Tb1 90.32(13) . . ?
O5 Tb2 Tb1 136.50(16) 2_457 . ?
O10 Tb2 Tb1 95.76(15) . . ?
O7 Tb2 Tb1 38.93(11) . . ?
C32 Tb2 Tb1 117.1(2) . . ?
Co1 Tb2 Tb1 53.94(3) . . ?
C8 N1 C9 122.9(7) . . ?
C8 N1 Co1 126.7(7) . . ?
C9 N1 Co1 109.8(6) . . ?
C18 N2 C19 113.4(7) . . ?
C18 N2 Tb1 129.3(6) . . ?
C19 N2 Tb1 117.2(5) . . ?
C22 N3 Co1 106.4(5) . . ?
C22 N3 H3B 110.5 . . ?
Co1 N3 H3B 110.5 . . ?
C22 N3 H3A 110.5 . . ?
Co1 N3 H3A 110.5 . . ?
H3B N3 H3A 108.6 . . ?
O14 N4 O15 125.3(16) . . ?
O14 N4 O13 116.5(15) . . ?
O15 N4 O13 117.8(15) . . ?
C2 O1 Co1 124.6(5) . . ?
C2 O1 Tb1 125.7(5) . . ?
Co1 O1 Tb1 93.2(2) . . ?
C3 O2 C7 116.5(7) . . ?
C3 O2 Tb1 113.6(5) . . ?
C7 O2 Tb1 129.8(5) . . ?
C10 O3 Co1 108.0(5) . . ?
C10 O3 Tb2 123.8(5) . . ?
Co1 O3 Tb2 92.3(2) . . ?
C12 O4 Tb1 131.9(5) . . ?
C12 O4 Tb2 121.0(5) . 2_457 ?
Tb1 O4 Tb2 105.00(18) . 2_457 ?
C13 O5 C17 117.2(7) . . ?
C13 O5 Tb2 121.5(5) . 2_457 ?
C17 O5 Tb2 121.1(6) . 2_457 ?
C20 O6 Co1 122.3(5) . . ?
C20 O6 Tb2 134.8(5) . . ?
Co1 O6 Tb2 92.6(2) . . ?
C20 O6 Tb1 112.0(5) . . ?
Co1 O6 Tb1 87.4(2) . . ?
Tb2 O6 Tb1 95.85(17) . . ?
C21 O7 Co1 110.2(5) . . ?
C21 O7 Tb1 130.1(5) . . ?
Co1 O7 Tb1 94.29(19) . . ?
C21 O7 Tb2 122.5(5) . . ?
Co1 O7 Tb2 89.6(2) . . ?
Tb1 O7 Tb2 99.56(17) . . ?
C27 O8 Tb1 129.2(6) . . ?
C27 O9 Tb2 128.5(5) . 2_457 ?
C32 O10 Tb2 90.3(6) . . ?
C32 O11 Tb2 95.2(6) . . ?
Tb2 O12 Tb1 104.37(18) . . ?
Tb2 O12 Tb1 106.24(19) . 2_457 ?
Tb1 O12 Tb1 111.6(2) . 2_457 ?
Tb2 O12 H12 110.9 . . ?
Tb1 O12 H12 110.9 . . ?
Tb1 O12 H12 112.5 2_457 . ?
C2 C1 C8 124.0(8) . . ?
C2 C1 C6 118.4(9) . . ?
C8 C1 C6 117.3(9) . . ?
O1 C2 C1 123.2(8) . . ?
O1 C2 C3 117.7(8) . . ?
C1 C2 C3 119.1(8) . . ?
O2 C3 C4 124.9(9) . . ?
O2 C3 C2 113.8(7) . . ?
C4 C3 C2 121.3(9) . . ?
C3 C4 C5 118.3(10) . . ?
C3 C4 H4A 120.8 . . ?
C5 C4 H4A 120.8 . . ?
C6 C5 C4 121.5(10) . . ?
C6 C5 H5A 119.3 . . ?
C4 C5 H5A 119.3 . . ?
C5 C6 C1 121.1(10) . . ?
C5 C6 H6A 119.5 . . ?
C1 C6 H6A 119.5 . . ?
O2 C7 H7A 109.5 . . ?
O2 C7 H7B 109.5 . . ?
H7A C7 H7B 109.5 . . ?
O2 C7 H7C 109.5 . . ?
H7A C7 H7C 109.5 . . ?
H7B C7 H7C 109.5 . . ?
N1 C8 C1 124.1(8) . . ?
N1 C8 H8A 117.9 . . ?
C1 C8 H8A 117.9 . . ?
N1 C9 C10 105.0(7) . . ?
N1 C9 H9A 110.7 . . ?
C10 C9 H9A 110.7 . . ?
N1 C9 H9B 110.7 . . ?
C10 C9 H9B 110.7 . . ?
H9A C9 H9B 108.8 . . ?
O3 C10 C9 109.1(8) . . ?
O3 C10 H10A 109.9 . . ?
C9 C10 H10A 109.9 . . ?
O3 C10 H10B 109.9 . . ?
C9 C10 H10B 109.9 . . ?
H10A C10 H10B 108.3 . . ?
C12 C11 C16 119.6(9) . . ?
C12 C11 C18 123.8(7) . . ?
C16 C11 C18 116.4(8) . . ?
O4 C12 C11 124.4(8) . . ?
O4 C12 C13 118.4(7) . . ?
C11 C12 C13 117.1(7) . . ?
O5 C13 C14 124.8(8) . . ?
O5 C13 C12 114.1(7) . . ?
C14 C13 C12 121.0(8) . . ?
C15 C14 C13 120.6(9) . . ?
C15 C14 H14A 119.7 . . ?
C13 C14 H14A 119.7 . . ?
C16 C15 C14 120.1(8) . . ?
C16 C15 H15A 120.0 . . ?
C14 C15 H15A 120.0 . . ?
C15 C16 C11 121.4(9) . . ?
C15 C16 H16A 119.3 . . ?
C11 C16 H16A 119.3 . . ?
O5 C17 H17A 109.5 . . ?
O5 C17 H17B 109.5 . . ?
H17A C17 H17B 109.5 . . ?
O5 C17 H17C 109.5 . . ?
H17A C17 H17C 109.5 . . ?
H17B C17 H17C 109.5 . . ?
N2 C18 C11 125.5(8) . . ?
N2 C18 H18A 117.2 . . ?
C11 C18 H18A 117.2 . . ?
N2 C19 C20 110.7(7) . . ?
N2 C19 H19A 109.5 . . ?
C20 C19 H19A 109.5 . . ?
N2 C19 H19B 109.5 . . ?
C20 C19 H19B 109.5 . . ?
H19A C19 H19B 108.1 . . ?
O6 C20 C19 109.4(7) . . ?
O6 C20 H20A 109.8 . . ?
C19 C20 H20A 109.8 . . ?
O6 C20 H20B 109.8 . . ?
C19 C20 H20B 109.8 . . ?
H20A C20 H20B 108.2 . . ?
O7 C21 C22 107.6(7) . . ?
O7 C21 H21A 110.2 . . ?
C22 C21 H21A 110.2 . . ?
O7 C21 H21B 110.2 . . ?
C22 C21 H21B 110.2 . . ?
H21A C21 H21B 108.5 . . ?
N3 C22 C21 106.9(7) . . ?
N3 C22 H22A 110.3 . . ?
C21 C22 H22A 110.3 . . ?
N3 C22 H22B 110.3 . . ?
C21 C22 H22B 110.3 . . ?
H22A C22 H22B 108.6 . . ?
C26 C23 H23A 109.5 . . ?
C26 C23 H23B 109.5 . . ?
H23A C23 H23B 109.5 . . ?
C26 C23 H23C 109.5 . . ?
H23A C23 H23C 109.5 . . ?
H23B C23 H23C 109.5 . . ?
C26 C24 H24A 109.5 . . ?
C26 C24 H24B 109.5 . . ?
H24A C24 H24B 109.5 . . ?
C26 C24 H24C 109.5 . . ?
H24A C24 H24C 109.5 . . ?
H24B C24 H24C 109.5 . . ?
C26 C25 H25A 109.5 . . ?
C26 C25 H25B 109.5 . . ?
H25A C25 H25B 109.5 . . ?
C26 C25 H25C 109.5 . . ?
H25A C25 H25C 109.5 . . ?
H25B C25 H25C 109.5 . . ?
C24 C26 C23 112.1(12) . . ?
C24 C26 C25 109.2(10) . . ?
C23 C26 C25 110.8(11) . . ?
C24 C26 C27 104.9(9) . . ?
C23 C26 C27 110.3(9) . . ?
C25 C26 C27 109.4(9) . . ?
O8 C27 O9 126.6(8) . . ?
O8 C27 C26 117.2(9) . . ?
O9 C27 C26 116.2(8) . . ?
C31 C28 H28A 109.5 . . ?
C31 C28 H28B 109.5 . . ?
H28A C28 H28B 109.5 . . ?
C31 C28 H28C 109.5 . . ?
H28A C28 H28C 109.5 . . ?
H28B C28 H28C 109.5 . . ?
C31 C29 H29A 109.5 . . ?
C31 C29 H29B 109.5 . . ?
H29A C29 H29B 109.5 . . ?
C31 C29 H29C 109.5 . . ?
H29A C29 H29C 109.5 . . ?
H29B C29 H29C 109.5 . . ?
C31 C30 H30A 109.5 . . ?
C31 C30 H30B 109.5 . . ?
H30A C30 H30B 109.5 . . ?
C31 C30 H30C 109.5 . . ?
H30A C30 H30C 109.5 . . ?
H30B C30 H30C 109.5 . . ?
C28 C31 C29 107.9(13) . . ?
C28 C31 C30 106.1(12) . . ?
C29 C31 C30 109.9(12) . . ?
C28 C31 C32 110.9(11) . . ?
C29 C31 C32 110.5(11) . . ?
C30 C31 C32 111.4(12) . . ?
O10 C32 O11 121.3(10) . . ?
O10 C32 C31 120.1(11) . . ?
O11 C32 C31 118.6(11) . . ?
O10 C32 Tb2 63.1(5) . . ?
O11 C32 Tb2 58.4(5) . . ?
C31 C32 Tb2 175.2(9) . . ?

_diffrn_measured_fraction_theta_max 0.994
_diffrn_reflns_theta_full        25.00
_diffrn_measured_fraction_theta_full 0.994
_refine_diff_density_max         1.797
_refine_diff_density_min         -1.791
_refine_diff_density_rms         0.137

# SQUEEZE RESULTS (APPEND TO CIF)
loop_
_platon_squeeze_void_nr
_platon_squeeze_void_average_x
_platon_squeeze_void_average_y
_platon_squeeze_void_average_z
_platon_squeeze_void_volume
_platon_squeeze_void_count_electrons
1 0.000 0.500 0.500 354.0 16.5
2 0.455 0.519 0.147 6.6 0.5
3 0.544 0.481 0.853 6.8 0.5
_platon_squeeze_details          
; ?
;

_database_code_depnum_ccdc_archive 'CCDC 948363'
#######################################################################
#
#                 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_Compound_4Dy

_audit_creation_method           SHELXL-97
_chemical_name_systematic        
; 
 ? 
;
_chemical_name_common            ?
_chemical_melting_point          ?
_chemical_formula_moiety         ?
_chemical_formula_sum            'C64 H94 Co2 Dy4 N8 O30'
_chemical_formula_weight         2223.33

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'
Co Co 0.3494 0.9721 '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                   11.576(2)
_cell_length_b                   14.014(3)
_cell_length_c                   15.380(3)
_cell_angle_alpha                74.549(9)
_cell_angle_beta                 67.993(9)
_cell_angle_gamma                69.888(9)
_cell_volume                     2144.8(7)
_cell_formula_units_Z            1
_cell_measurement_temperature    293(2)
_cell_measurement_reflns_used    5766
_cell_measurement_theta_min      2.1585
_cell_measurement_theta_max      27.4816

_exptl_crystal_description       Prism
_exptl_crystal_colour            'Pale Yellow'
_exptl_crystal_size_max          0.2000
_exptl_crystal_size_mid          0.1200
_exptl_crystal_size_min          0.0600
_exptl_crystal_density_meas      ?
_exptl_crystal_density_diffrn    1.721
_exptl_crystal_density_method    'not measured'
_exptl_crystal_F_000             1092
_exptl_absorpt_coefficient_mu    3.895
_exptl_absorpt_correction_type   Multi-scan
_exptl_absorpt_correction_T_min  0.7127
_exptl_absorpt_correction_T_max  1.0000
_exptl_absorpt_process_details   'CrystalClear (Rigaku Inc., 2007)'

_exptl_special_details           
; 
 ? 
;

_diffrn_ambient_temperature      293(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  'Saturn724+ (2x2 bin mode)'
_diffrn_measurement_method       CCD_Profile_fitting
_diffrn_detector_area_resol_mean 28.5714
_diffrn_standards_number         ?
_diffrn_standards_interval_count ?
_diffrn_standards_interval_time  ?
_diffrn_standards_decay_%        ?
_diffrn_reflns_number            22834
_diffrn_reflns_av_R_equivalents  0.0384
_diffrn_reflns_av_unetI/netI     0.0621
_diffrn_reflns_limit_h_min       -15
_diffrn_reflns_limit_h_max       14
_diffrn_reflns_limit_k_min       -18
_diffrn_reflns_limit_k_max       18
_diffrn_reflns_limit_l_min       -19
_diffrn_reflns_limit_l_max       19
_diffrn_reflns_theta_min         2.29
_diffrn_reflns_theta_max         27.51
_reflns_number_total             9662
_reflns_number_gt                7402
_reflns_threshold_expression     >2sigma(I)

_computing_data_collection       'CrystalClear (Rigaku Inc., 2007)'
_computing_cell_refinement       'CrystalClear (Rigaku Inc., 2007)'
_computing_data_reduction        'CrystalClear (Rigaku Inc., 2007)'
_computing_structure_solution    'SHELXS-97 (Sheldrick, 1990)'
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 1997)'
_computing_molecular_graphics    'DIAMOND. Version 3.0. Crystal Impact'
_computing_publication_material  'Windows Word 2003'

_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. 

 Since the position of the disordered water molecules could not be resolved
 from the Fourier maps, PLATON/SQUEEZE was used to compensate the data for
 their contribution to the diffraction patterns. The final chemical formula 
 was calculated from SQUEEZE results combined with the TGA and elemental 
 analysis data. Besides, the O14, O15, C28, C29 and C30 atoms were refined 
 isotropically.
;

_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)+(0.0635P)²+0.0000P] 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     SHELXL
_refine_ls_extinction_coef       0.0029(3)
_refine_ls_extinction_expression Fc^*^=kFc[1+0.001xFc²λ³/sin(2θ)]^-1/4^
_refine_ls_number_reflns         9662
_refine_ls_number_parameters     490
_refine_ls_number_restraints     55
_refine_ls_R_factor_all          0.0616
_refine_ls_R_factor_gt           0.0476
_refine_ls_wR_factor_ref         0.1301
_refine_ls_wR_factor_gt          0.1209
_refine_ls_goodness_of_fit_ref   1.012
_refine_ls_restrained_S_all      1.026
_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
Co1 Co 0.31259(8) -0.02468(7) 0.29107(6) 0.0441(2) Uani 1 1 d . . .
Dy1 Dy 0.49750(2) 0.06462(2) 0.099454(19) 0.03706(11) Uani 1 1 d . . .
Dy2 Dy 0.43707(3) -0.19295(2) 0.15771(2) 0.04196(12) Uani 1 1 d . . .
N1 N 0.2973(5) -0.0486(5) 0.4202(4) 0.0544(14) Uani 1 1 d . . .
N2 N 0.7043(5) -0.0151(4) 0.1384(4) 0.0469(13) Uani 1 1 d . . .
N3 N 0.1317(5) 0.0535(5) 0.3182(4) 0.0562(15) Uani 1 1 d . . .
H3B H 0.0802 0.0111 0.3455 0.067 Uiso 1 1 calc R . .
H3A H 0.1122 0.0979 0.3577 0.067 Uiso 1 1 calc R . .
N4 N 0.0715(8) 0.1024(9) 0.6381(9) 0.101(3) Uani 1 1 d . . .
O1 O 0.3740(4) 0.0943(4) 0.2597(3) 0.0460(11) Uani 1 1 d . . .
O2 O 0.5264(5) 0.2124(4) 0.1812(3) 0.0574(13) Uani 1 1 d . . .
O3 O 0.2747(4) -0.1505(4) 0.3095(3) 0.0514(11) Uani 1 1 d . . .
O4 O 0.6566(4) 0.1268(3) -0.0274(3) 0.0428(10) Uani 1 1 d . . .
O5 O 0.7391(4) 0.2612(4) -0.1726(3) 0.0566(12) Uani 1 1 d . . .
O6 O 0.4904(4) -0.0933(4) 0.2348(3) 0.0432(10) Uani 1 1 d . . .
O7 O 0.3182(4) -0.0058(3) 0.1615(3) 0.0396(9) Uani 1 1 d . . .
O8 O 0.3478(4) 0.2247(4) 0.0863(3) 0.0511(11) Uani 1 1 d . . .
O9 O 0.4529(5) 0.3104(4) -0.0476(3) 0.0575(13) Uani 1 1 d . . .
O10 O 0.6539(5) -0.2925(4) 0.1752(4) 0.0620(13) Uani 1 1 d . . .
O11 O 0.4880(5) -0.3504(4) 0.2626(4) 0.0687(14) Uani 1 1 d . . .
O12 O 0.5615(4) -0.0902(3) 0.0392(3) 0.0356(9) Uani 1 1 d D . .
H12 H 0.6415(11) -0.1187(5) 0.0299(3) 0.043 Uiso 1 1 d RD . .
O13 O 0.0405(7) 0.0925(7) 0.5737(6) 0.120(3) Uani 1 1 d . . .
O14 O 0.0885(12) 0.0290(11) 0.6983(9) 0.174(5) Uani 1 1 d U . .
O15 O 0.0923(10) 0.1825(9) 0.6366(8) 0.155(4) Uani 1 1 d U . .
C1 C 0.3723(7) 0.0951(6) 0.4176(5) 0.0574(19) Uani 1 1 d . . .
C2 C 0.4075(6) 0.1266(5) 0.3188(5) 0.0487(16) Uani 1 1 d . . .
C3 C 0.4828(7) 0.1954(6) 0.2789(5) 0.0555(18) Uani 1 1 d . . .
C4 C 0.5133(9) 0.2376(7) 0.3365(6) 0.075(2) Uani 1 1 d . . .
H4A H 0.5643 0.2832 0.3092 0.090 Uiso 1 1 calc R . .
C5 C 0.4677(10) 0.2122(8) 0.4357(6) 0.090(3) Uani 1 1 d . . .
H5A H 0.4830 0.2443 0.4744 0.108 Uiso 1 1 calc R . .
C6 C 0.4016(8) 0.1408(7) 0.4739(6) 0.070(2) Uani 1 1 d . . .
H6A H 0.3748 0.1215 0.5395 0.084 Uiso 1 1 calc R . .
C7 C 0.5858(8) 0.2966(6) 0.1337(7) 0.073(2) Uani 1 1 d . . .
H7A H 0.5924 0.3268 0.1802 0.110 Uiso 1 1 calc R . .
H7B H 0.5334 0.3478 0.0981 0.110 Uiso 1 1 calc R . .
H7C H 0.6707 0.2708 0.0914 0.110 Uiso 1 1 calc R . .
C8 C 0.3162(7) 0.0070(7) 0.4647(5) 0.062(2) Uani 1 1 d . . .
H8A H 0.2933 -0.0088 0.5305 0.075 Uiso 1 1 calc R . .
C9 C 0.2375(8) -0.1333(7) 0.4701(5) 0.070(2) Uani 1 1 d . . .
H9A H 0.1438 -0.1075 0.4892 0.085 Uiso 1 1 calc R . .
H9B H 0.2635 -0.1669 0.5263 0.085 Uiso 1 1 calc R . .
C10 C 0.2846(8) -0.2087(7) 0.4003(5) 0.068(2) Uani 1 1 d . . .
H10A H 0.3738 -0.2477 0.3944 0.081 Uiso 1 1 calc R . .
H10B H 0.2319 -0.2566 0.4230 0.081 Uiso 1 1 calc R . .
C11 C 0.8257(6) 0.1068(6) 0.0367(5) 0.0497(16) Uani 1 1 d . . .
C12 C 0.7582(6) 0.1514(5) -0.0307(5) 0.0456(15) Uani 1 1 d . . .
C13 C 0.8059(6) 0.2248(5) -0.1068(5) 0.0467(15) Uani 1 1 d . . .
C14 C 0.9090(7) 0.2590(6) -0.1129(6) 0.061(2) Uani 1 1 d . . .
H14A H 0.9364 0.3090 -0.1629 0.074 Uiso 1 1 calc R . .
C15 C 0.9692(7) 0.2182(6) -0.0449(7) 0.067(2) Uani 1 1 d . . .
H15A H 1.0364 0.2423 -0.0481 0.081 Uiso 1 1 calc R . .
C16 C 0.9324(6) 0.1418(6) 0.0288(6) 0.0579(19) Uani 1 1 d . . .
H16A H 0.9768 0.1132 0.0731 0.069 Uiso 1 1 calc R . .
C17 C 0.7837(9) 0.3351(8) -0.2530(6) 0.086(3) Uani 1 1 d . . .
H17A H 0.7305 0.3539 -0.2935 0.129 Uiso 1 1 calc R . .
H17B H 0.8719 0.3053 -0.2879 0.129 Uiso 1 1 calc R . .
H17C H 0.7782 0.3952 -0.2314 0.129 Uiso 1 1 calc R . .
C18 C 0.8006(6) 0.0226(6) 0.1114(5) 0.0503(16) Uani 1 1 d . . .
H18A H 0.8612 -0.0080 0.1438 0.060 Uiso 1 1 calc R . .
C19 C 0.7148(6) -0.1110(6) 0.2069(5) 0.0539(17) Uani 1 1 d . . .
H19A H 0.7764 -0.1165 0.2380 0.065 Uiso 1 1 calc R . .
H19B H 0.7472 -0.1692 0.1734 0.065 Uiso 1 1 calc R . .
C20 C 0.5849(7) -0.1144(6) 0.2812(5) 0.0546(18) Uani 1 1 d . . .
H20A H 0.5917 -0.1819 0.3201 0.066 Uiso 1 1 calc R . .
H20B H 0.5589 -0.0638 0.3222 0.066 Uiso 1 1 calc R . .
C21 C 0.1894(6) 0.0366(6) 0.1547(5) 0.0535(18) Uani 1 1 d . . .
H21A H 0.1485 -0.0179 0.1684 0.064 Uiso 1 1 calc R . .
H21B H 0.1921 0.0730 0.0911 0.064 Uiso 1 1 calc R . .
C22 C 0.1136(6) 0.1100(6) 0.2260(5) 0.0574(19) Uani 1 1 d . . .
H22A H 0.1454 0.1704 0.2066 0.069 Uiso 1 1 calc R . .
H22B H 0.0225 0.1317 0.2311 0.069 Uiso 1 1 calc R . .
C23 C 0.3071(13) 0.5003(8) 0.0010(9) 0.145(6) Uani 1 1 d . . .
H23A H 0.2408 0.5620 0.0185 0.218 Uiso 1 1 calc R . .
H23B H 0.3292 0.5007 -0.0658 0.218 Uiso 1 1 calc R . .
H23C H 0.3824 0.4970 0.0153 0.218 Uiso 1 1 calc R . .
C24 C 0.1417(9) 0.4042(9) 0.0368(8) 0.115(4) Uani 1 1 d . . .
H24A H 0.1142 0.3440 0.0725 0.173 Uiso 1 1 calc R . .
H24B H 0.1640 0.4036 -0.0298 0.173 Uiso 1 1 calc R . .
H24C H 0.0727 0.4646 0.0541 0.173 Uiso 1 1 calc R . .
C25 C 0.2212(9) 0.4054(7) 0.1639(7) 0.091(3) Uani 1 1 d . . .
H25A H 0.1917 0.3460 0.1995 0.137 Uiso 1 1 calc R . .
H25B H 0.1536 0.4666 0.1810 0.137 Uiso 1 1 calc R . .
H25C H 0.2960 0.4040 0.1779 0.137 Uiso 1 1 calc R . .
C26 C 0.2566(8) 0.4048(6) 0.0579(6) 0.065(2) Uani 1 1 d . . .
C27 C 0.3607(6) 0.3059(6) 0.0305(5) 0.0487(16) Uani 1 1 d . . .
C28 C 0.6826(14) -0.5448(10) 0.2857(10) 0.143(4) Uani 1 1 d U . .
H28A H 0.7336 -0.5984 0.3208 0.214 Uiso 1 1 calc R . .
H28B H 0.7164 -0.5536 0.2202 0.214 Uiso 1 1 calc R . .
H28C H 0.5945 -0.5483 0.3111 0.214 Uiso 1 1 calc R . .
C29 C 0.6375(12) -0.4319(10) 0.3972(8) 0.133(4) Uani 1 1 d U . .
H29A H 0.6886 -0.4872 0.4310 0.200 Uiso 1 1 calc R . .
H29B H 0.5489 -0.4341 0.4231 0.200 Uiso 1 1 calc R . .
H29C H 0.6431 -0.3673 0.4032 0.200 Uiso 1 1 calc R . .
C30 C 0.8348(11) -0.4443(10) 0.2522(9) 0.131(4) Uani 1 1 d U . .
H30A H 0.8831 -0.4997 0.2880 0.196 Uiso 1 1 calc R . .
H30B H 0.8433 -0.3801 0.2565 0.196 Uiso 1 1 calc R . .
H30C H 0.8676 -0.4539 0.1869 0.196 Uiso 1 1 calc R . .
C31 C 0.6879(10) -0.4432(8) 0.2936(7) 0.090(2) Uani 1 1 d U . .
C32 C 0.6055(9) -0.3558(7) 0.2391(6) 0.0668(18) Uani 1 1 d U . .


_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
Co1 N1 1.874(6) . ?
Co1 O3 1.886(5) . ?
Co1 O1 1.910(5) . ?
Co1 O6 1.912(4) . ?
Co1 O7 1.918(4) . ?
Co1 N3 1.942(5) . ?
Co1 Dy2 3.1415(10) . ?
Co1 Dy1 3.1595(11) . ?
Dy1 O8 2.329(4) . ?
Dy1 O4 2.336(4) . ?
Dy1 O12 2.360(4) . ?
Dy1 O7 2.369(4) . ?
Dy1 O12 2.378(4) 2_655 ?
Dy1 O1 2.406(4) . ?
Dy1 N2 2.493(5) . ?
Dy1 O6 2.604(5) . ?
Dy1 O2 2.856(4) . ?
Dy1 Dy2 3.7235(9) . ?
Dy1 Dy2 3.7886(9) 2_655 ?
Dy2 O12 2.352(4) . ?
Dy2 O9 2.373(4) 2_655 ?
Dy2 O11 2.396(6) . ?
Dy2 O6 2.401(4) . ?
Dy2 O4 2.450(4) 2_655 ?
Dy2 O5 2.450(4) 2_655 ?
Dy2 O3 2.454(4) . ?
Dy2 O10 2.494(5) . ?
Dy2 O7 2.513(4) . ?
Dy2 C32 2.797(9) . ?
N1 C8 1.280(9) . ?
N1 C9 1.469(10) . ?
N2 C18 1.279(8) . ?
N2 C19 1.470(9) . ?
N3 C22 1.479(9) . ?
N3 H3B 0.9000 . ?
N3 H3A 0.9000 . ?
N4 O14 1.202(14) . ?
N4 O15 1.219(12) . ?
N4 O13 1.227(11) . ?
O1 C2 1.336(7) . ?
O2 C3 1.376(8) . ?
O2 C7 1.457(9) . ?
O3 C10 1.441(9) . ?
O4 C12 1.316(7) . ?
O4 Dy2 2.450(4) 2_655 ?
O5 C13 1.386(8) . ?
O5 C17 1.440(9) . ?
O5 Dy2 2.450(4) 2_655 ?
O6 C20 1.429(7) . ?
O7 C21 1.436(7) . ?
O8 C27 1.246(8) . ?
O9 C27 1.276(8) . ?
O9 Dy2 2.373(4) 2_655 ?
O10 C32 1.237(10) . ?
O11 C32 1.250(9) . ?
O12 Dy1 2.378(4) 2_655 ?
O12 H12 0.8444 . ?
C1 C6 1.393(9) . ?
C1 C2 1.403(10) . ?
C1 C8 1.481(11) . ?
C2 C3 1.388(10) . ?
C3 C4 1.384(9) . ?
C4 C5 1.403(12) . ?
C4 H4A 0.9300 . ?
C5 C6 1.345(12) . ?
C5 H5A 0.9300 . ?
C6 H6A 0.9300 . ?
C7 H7A 0.9600 . ?
C7 H7B 0.9600 . ?
C7 H7C 0.9600 . ?
C8 H8A 0.9300 . ?
C9 C10 1.529(10) . ?
C9 H9A 0.9700 . ?
C9 H9B 0.9700 . ?
C10 H10A 0.9700 . ?
C10 H10B 0.9700 . ?
C11 C12 1.414(9) . ?
C11 C16 1.433(8) . ?
C11 C18 1.436(10) . ?
C12 C13 1.414(9) . ?
C13 C14 1.395(8) . ?
C14 C15 1.364(11) . ?
C14 H14A 0.9300 . ?
C15 C16 1.386(11) . ?
C15 H15A 0.9300 . ?
C16 H16A 0.9300 . ?
C17 H17A 0.9600 . ?
C17 H17B 0.9600 . ?
C17 H17C 0.9600 . ?
C18 H18A 0.9300 . ?
C19 C20 1.518(9) . ?
C19 H19A 0.9700 . ?
C19 H19B 0.9700 . ?
C20 H20A 0.9700 . ?
C20 H20B 0.9700 . ?
C21 C22 1.512(9) . ?
C21 H21A 0.9700 . ?
C21 H21B 0.9700 . ?
C22 H22A 0.9700 . ?
C22 H22B 0.9700 . ?
C23 C26 1.558(13) . ?
C23 H23A 0.9600 . ?
C23 H23B 0.9600 . ?
C23 H23C 0.9600 . ?
C24 C26 1.486(12) . ?
C24 H24A 0.9600 . ?
C24 H24B 0.9600 . ?
C24 H24C 0.9600 . ?
C25 C26 1.527(12) . ?
C25 H25A 0.9600 . ?
C25 H25B 0.9600 . ?
C25 H25C 0.9600 . ?
C26 C27 1.528(9) . ?
C28 C31 1.484(15) . ?
C28 H28A 0.9600 . ?
C28 H28B 0.9600 . ?
C28 H28C 0.9600 . ?
C29 C31 1.509(14) . ?
C29 H29A 0.9600 . ?
C29 H29B 0.9600 . ?
C29 H29C 0.9600 . ?
C30 C31 1.573(14) . ?
C30 H30A 0.9600 . ?
C30 H30B 0.9600 . ?
C30 H30C 0.9600 . ?
C31 C32 1.537(13) . ?

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
N1 Co1 O3 88.6(2) . . ?
N1 Co1 O1 95.5(2) . . ?
O3 Co1 O1 171.79(19) . . ?
N1 Co1 O6 102.6(2) . . ?
O3 Co1 O6 87.8(2) . . ?
O1 Co1 O6 84.33(19) . . ?
N1 Co1 O7 175.5(2) . . ?
O3 Co1 O7 87.62(19) . . ?
O1 Co1 O7 88.61(18) . . ?
O6 Co1 O7 79.63(16) . . ?
N1 Co1 N3 90.6(2) . . ?
O3 Co1 N3 93.1(2) . . ?
O1 Co1 N3 94.0(2) . . ?
O6 Co1 N3 166.8(2) . . ?
O7 Co1 N3 87.2(2) . . ?
N1 Co1 Dy2 125.46(19) . . ?
O3 Co1 Dy2 51.32(13) . . ?
O1 Co1 Dy2 120.92(12) . . ?
O6 Co1 Dy2 49.76(12) . . ?
O7 Co1 Dy2 53.12(13) . . ?
N3 Co1 Dy2 122.11(17) . . ?
N1 Co1 Dy1 136.03(19) . . ?
O3 Co1 Dy1 123.38(13) . . ?
O1 Co1 Dy1 49.47(12) . . ?
O6 Co1 Dy1 55.41(14) . . ?
O7 Co1 Dy1 48.40(12) . . ?
N3 Co1 Dy1 114.13(19) . . ?
Dy2 Co1 Dy1 72.45(2) . . ?
O8 Dy1 O4 90.27(16) . . ?
O8 Dy1 O12 136.58(14) . . ?
O4 Dy1 O12 91.42(14) . . ?
O8 Dy1 O7 86.49(16) . . ?
O4 Dy1 O7 151.80(13) . . ?
O12 Dy1 O7 72.38(13) . . ?
O8 Dy1 O12 70.79(14) . 2_655 ?
O4 Dy1 O12 73.46(14) . 2_655 ?
O12 Dy1 O12 68.22(16) . 2_655 ?
O7 Dy1 O12 79.04(13) . 2_655 ?
O8 Dy1 O1 74.27(16) . . ?
O4 Dy1 O1 137.44(14) . . ?
O12 Dy1 O1 127.07(15) . . ?
O7 Dy1 O1 68.10(14) . . ?
O12 Dy1 O1 132.87(14) 2_655 . ?
O8 Dy1 N2 139.49(17) . . ?
O4 Dy1 N2 73.46(17) . . ?
O12 Dy1 N2 81.83(15) . . ?
O7 Dy1 N2 124.67(17) . . ?
O12 Dy1 N2 134.16(15) 2_655 . ?
O1 Dy1 N2 92.81(16) . . ?
O8 Dy1 O6 130.90(15) . . ?
O4 Dy1 O6 136.81(14) . . ?
O12 Dy1 O6 68.45(13) . . ?
O7 Dy1 O6 58.88(13) . . ?
O12 Dy1 O6 126.44(13) 2_655 . ?
O1 Dy1 O6 61.48(14) . . ?
N2 Dy1 O6 66.30(16) . . ?
O8 Dy1 O2 66.68(15) . . ?
O4 Dy1 O2 79.50(14) . . ?
O12 Dy1 O2 155.59(14) . . ?
O7 Dy1 O2 124.06(14) . . ?
O12 Dy1 O2 128.80(14) 2_655 . ?
O1 Dy1 O2 57.94(15) . . ?
N2 Dy1 O2 73.89(16) . . ?
O6 Dy1 O2 103.01(14) . . ?
O8 Dy1 Co1 94.08(12) . . ?
O4 Dy1 Co1 170.49(10) . . ?
O12 Dy1 Co1 91.22(10) . . ?
O7 Dy1 Co1 37.25(9) . . ?
O12 Dy1 Co1 115.97(9) 2_655 . ?
O1 Dy1 Co1 37.13(11) . . ?
N2 Dy1 Co1 97.89(14) . . ?
O6 Dy1 Co1 37.20(9) . . ?
O2 Dy1 Co1 94.46(11) . . ?
O8 Dy1 Dy2 127.30(12) . . ?
O4 Dy1 Dy2 128.88(10) . . ?
O12 Dy1 Dy2 37.72(10) . . ?
O7 Dy1 Dy2 41.76(10) . . ?
O12 Dy1 Dy2 86.76(10) 2_655 . ?
O1 Dy1 Dy2 90.11(11) . . ?
N2 Dy1 Dy2 90.03(13) . . ?
O6 Dy1 Dy2 39.88(9) . . ?
O2 Dy1 Dy2 142.40(11) . . ?
Co1 Dy1 Dy2 53.554(19) . . ?
O8 Dy1 Dy2 69.53(12) . 2_655 ?
O4 Dy1 Dy2 38.72(10) . 2_655 ?
O12 Dy1 Dy2 85.51(10) . 2_655 ?
O7 Dy1 Dy2 115.17(10) . 2_655 ?
O12 Dy1 Dy2 36.55(9) 2_655 2_655 ?
O1 Dy1 Dy2 143.19(11) . 2_655 ?
N2 Dy1 Dy2 110.39(13) . 2_655 ?
O6 Dy1 Dy2 153.94(9) . 2_655 ?
O2 Dy1 Dy2 100.48(11) . 2_655 ?
Co1 Dy1 Dy2 150.693(19) . 2_655 ?
Dy2 Dy1 Dy2 117.043(12) . 2_655 ?
O12 Dy2 O9 82.44(15) . 2_655 ?
O12 Dy2 O11 133.95(16) . . ?
O9 Dy2 O11 79.52(18) 2_655 . ?
O12 Dy2 O6 72.15(13) . . ?
O9 Dy2 O6 138.06(15) 2_655 . ?
O11 Dy2 O6 94.51(18) . . ?
O12 Dy2 O4 71.89(13) . 2_655 ?
O9 Dy2 O4 72.98(16) 2_655 2_655 ?
O11 Dy2 O4 139.01(17) . 2_655 ?
O6 Dy2 O4 126.20(15) . 2_655 ?
O12 Dy2 O5 136.02(15) . 2_655 ?
O9 Dy2 O5 79.47(17) 2_655 2_655 ?
O11 Dy2 O5 81.15(19) . 2_655 ?
O6 Dy2 O5 141.11(14) . 2_655 ?
O4 Dy2 O5 64.56(15) 2_655 2_655 ?
O12 Dy2 O3 128.52(14) . . ?
O9 Dy2 O3 148.97(17) 2_655 . ?
O11 Dy2 O3 78.67(17) . . ?
O6 Dy2 O3 65.71(15) . . ?
O4 Dy2 O3 111.36(14) 2_655 . ?
O5 Dy2 O3 75.59(15) 2_655 . ?
O12 Dy2 O10 81.37(16) . . ?
O9 Dy2 O10 69.71(17) 2_655 . ?
O11 Dy2 O10 52.65(18) . . ?
O6 Dy2 O10 73.84(15) . . ?
O4 Dy2 O10 136.32(16) 2_655 . ?
O5 Dy2 O10 127.44(18) 2_655 . ?
O3 Dy2 O10 112.32(17) . . ?
O12 Dy2 O7 69.96(13) . . ?
O9 Dy2 O7 139.73(16) 2_655 . ?
O11 Dy2 O7 140.63(16) . . ?
O6 Dy2 O7 59.83(13) . . ?
O4 Dy2 O7 70.90(13) 2_655 . ?
O5 Dy2 O7 100.24(15) 2_655 . ?
O3 Dy2 O7 64.01(15) . . ?
O10 Dy2 O7 130.76(15) . . ?
O12 Dy2 C32 107.6(2) . . ?
O9 Dy2 C32 73.7(2) 2_655 . ?
O11 Dy2 C32 26.4(2) . . ?
O6 Dy2 C32 82.72(19) . . ?
O4 Dy2 C32 146.46(18) 2_655 . ?
O5 Dy2 C32 105.2(2) 2_655 . ?
O3 Dy2 C32 95.2(2) . . ?
O10 Dy2 C32 26.3(2) . . ?
O7 Dy2 C32 141.77(18) . . ?
O12 Dy2 Co1 91.81(9) . . ?
O9 Dy2 Co1 174.08(13) 2_655 . ?
O11 Dy2 Co1 103.70(13) . . ?
O6 Dy2 Co1 37.45(9) . . ?
O4 Dy2 Co1 106.65(10) 2_655 . ?
O5 Dy2 Co1 105.82(11) 2_655 . ?
O3 Dy2 Co1 36.87(11) . . ?
O10 Dy2 Co1 108.13(12) . . ?
O7 Dy2 Co1 37.62(9) . . ?
C32 Dy2 Co1 106.89(16) . . ?
O12 Dy2 Dy1 37.87(9) . . ?
O9 Dy2 Dy1 120.29(13) 2_655 . ?
O11 Dy2 Dy1 136.72(14) . . ?
O6 Dy2 Dy1 44.05(11) . . ?
O4 Dy2 Dy1 84.00(10) 2_655 . ?
O5 Dy2 Dy1 136.83(13) 2_655 . ?
O3 Dy2 Dy1 90.66(11) . . ?
O10 Dy2 Dy1 95.70(13) . . ?
O7 Dy2 Dy1 38.89(9) . . ?
C32 Dy2 Dy1 116.85(18) . . ?
Co1 Dy2 Dy1 54.00(2) . . ?
C8 N1 C9 122.1(6) . . ?
C8 N1 Co1 127.3(6) . . ?
C9 N1 Co1 109.8(4) . . ?
C18 N2 C19 114.7(6) . . ?
C18 N2 Dy1 127.1(5) . . ?
C19 N2 Dy1 117.9(4) . . ?
C22 N3 Co1 106.6(4) . . ?
C22 N3 H3B 110.4 . . ?
Co1 N3 H3B 110.4 . . ?
C22 N3 H3A 110.4 . . ?
Co1 N3 H3A 110.4 . . ?
H3B N3 H3A 108.6 . . ?
O14 N4 O15 121.8(14) . . ?
O14 N4 O13 117.8(13) . . ?
O15 N4 O13 120.2(14) . . ?
C2 O1 Co1 124.4(4) . . ?
C2 O1 Dy1 128.0(4) . . ?
Co1 O1 Dy1 93.40(16) . . ?
C3 O2 C7 118.1(6) . . ?
C3 O2 Dy1 113.1(4) . . ?
C7 O2 Dy1 128.8(4) . . ?
C10 O3 Co1 109.4(4) . . ?
C10 O3 Dy2 123.3(4) . . ?
Co1 O3 Dy2 91.81(18) . . ?
C12 O4 Dy1 131.9(4) . . ?
C12 O4 Dy2 121.1(4) . 2_655 ?
Dy1 O4 Dy2 104.65(14) . 2_655 ?
C13 O5 C17 117.2(5) . . ?
C13 O5 Dy2 121.0(4) . 2_655 ?
C17 O5 Dy2 121.6(4) . 2_655 ?
C20 O6 Co1 121.5(4) . . ?
C20 O6 Dy2 134.2(4) . . ?
Co1 O6 Dy2 92.80(16) . . ?
C20 O6 Dy1 113.4(4) . . ?
Co1 O6 Dy1 87.39(16) . . ?
Dy2 O6 Dy1 96.07(14) . . ?
C21 O7 Co1 109.8(3) . . ?
C21 O7 Dy1 130.7(4) . . ?
Co1 O7 Dy1 94.35(15) . . ?
C21 O7 Dy2 122.4(4) . . ?
Co1 O7 Dy2 89.25(17) . . ?
Dy1 O7 Dy2 99.35(14) . . ?
C27 O8 Dy1 130.3(4) . . ?
C27 O9 Dy2 130.3(5) . 2_655 ?
C32 O10 Dy2 90.7(5) . . ?
C32 O11 Dy2 95.0(5) . . ?
Dy2 O12 Dy1 104.41(14) . . ?
Dy2 O12 Dy1 106.43(14) . 2_655 ?
Dy1 O12 Dy1 111.78(16) . 2_655 ?
Dy2 O12 H12 110.9 . . ?
Dy1 O12 H12 110.9 . . ?
Dy1 O12 H12 112.1 2_655 . ?
C6 C1 C2 119.8(8) . . ?
C6 C1 C8 117.4(7) . . ?
C2 C1 C8 122.5(6) . . ?
O1 C2 C3 117.2(6) . . ?
O1 C2 C1 124.4(7) . . ?
C3 C2 C1 118.4(6) . . ?
O2 C3 C4 125.0(7) . . ?
O2 C3 C2 114.7(6) . . ?
C4 C3 C2 120.3(7) . . ?
C3 C4 C5 120.5(8) . . ?
C3 C4 H4A 119.7 . . ?
C5 C4 H4A 119.7 . . ?
C6 C5 C4 119.1(7) . . ?
C6 C5 H5A 120.5 . . ?
C4 C5 H5A 120.5 . . ?
C5 C6 C1 121.5(8) . . ?
C5 C6 H6A 119.2 . . ?
C1 C6 H6A 119.2 . . ?
O2 C7 H7A 109.5 . . ?
O2 C7 H7B 109.5 . . ?
H7A C7 H7B 109.5 . . ?
O2 C7 H7C 109.5 . . ?
H7A C7 H7C 109.5 . . ?
H7B C7 H7C 109.5 . . ?
N1 C8 C1 123.9(7) . . ?
N1 C8 H8A 118.0 . . ?
C1 C8 H8A 118.0 . . ?
N1 C9 C10 106.6(6) . . ?
N1 C9 H9A 110.4 . . ?
C10 C9 H9A 110.4 . . ?
N1 C9 H9B 110.4 . . ?
C10 C9 H9B 110.4 . . ?
H9A C9 H9B 108.6 . . ?
O3 C10 C9 108.2(7) . . ?
O3 C10 H10A 110.0 . . ?
C9 C10 H10A 110.0 . . ?
O3 C10 H10B 110.0 . . ?
C9 C10 H10B 110.0 . . ?
H10A C10 H10B 108.4 . . ?
C12 C11 C16 119.6(7) . . ?
C12 C11 C18 124.6(6) . . ?
C16 C11 C18 115.7(7) . . ?
O4 C12 C11 123.9(7) . . ?
O4 C12 C13 118.9(6) . . ?
C11 C12 C13 117.3(6) . . ?
O5 C13 C14 123.5(7) . . ?
O5 C13 C12 114.1(5) . . ?
C14 C13 C12 122.4(7) . . ?
C15 C14 C13 119.3(8) . . ?
C15 C14 H14A 120.4 . . ?
C13 C14 H14A 120.4 . . ?
C14 C15 C16 121.4(7) . . ?
C14 C15 H15A 119.3 . . ?
C16 C15 H15A 119.3 . . ?
C15 C16 C11 119.9(7) . . ?
C15 C16 H16A 120.1 . . ?
C11 C16 H16A 120.1 . . ?
O5 C17 H17A 109.5 . . ?
O5 C17 H17B 109.5 . . ?
H17A C17 H17B 109.5 . . ?
O5 C17 H17C 109.5 . . ?
H17A C17 H17C 109.5 . . ?
H17B C17 H17C 109.5 . . ?
N2 C18 C11 127.2(6) . . ?
N2 C18 H18A 116.4 . . ?
C11 C18 H18A 116.4 . . ?
N2 C19 C20 111.4(6) . . ?
N2 C19 H19A 109.4 . . ?
C20 C19 H19A 109.4 . . ?
N2 C19 H19B 109.4 . . ?
C20 C19 H19B 109.4 . . ?
H19A C19 H19B 108.0 . . ?
O6 C20 C19 109.2(5) . . ?
O6 C20 H20A 109.8 . . ?
C19 C20 H20A 109.8 . . ?
O6 C20 H20B 109.8 . . ?
C19 C20 H20B 109.8 . . ?
H20A C20 H20B 108.3 . . ?
O7 C21 C22 107.8(5) . . ?
O7 C21 H21A 110.1 . . ?
C22 C21 H21A 110.1 . . ?
O7 C21 H21B 110.1 . . ?
C22 C21 H21B 110.1 . . ?
H21A C21 H21B 108.5 . . ?
N3 C22 C21 106.8(6) . . ?
N3 C22 H22A 110.4 . . ?
C21 C22 H22A 110.4 . . ?
N3 C22 H22B 110.4 . . ?
C21 C22 H22B 110.4 . . ?
H22A C22 H22B 108.6 . . ?
C26 C23 H23A 109.5 . . ?
C26 C23 H23B 109.5 . . ?
H23A C23 H23B 109.5 . . ?
C26 C23 H23C 109.5 . . ?
H23A C23 H23C 109.5 . . ?
H23B C23 H23C 109.5 . . ?
C26 C24 H24A 109.5 . . ?
C26 C24 H24B 109.5 . . ?
H24A C24 H24B 109.5 . . ?
C26 C24 H24C 109.5 . . ?
H24A C24 H24C 109.5 . . ?
H24B C24 H24C 109.5 . . ?
C26 C25 H25A 109.5 . . ?
C26 C25 H25B 109.5 . . ?
H25A C25 H25B 109.5 . . ?
C26 C25 H25C 109.5 . . ?
H25A C25 H25C 109.5 . . ?
H25B C25 H25C 109.5 . . ?
C24 C26 C25 109.4(8) . . ?
C24 C26 C27 106.4(7) . . ?
C25 C26 C27 110.0(7) . . ?
C24 C26 C23 112.0(9) . . ?
C25 C26 C23 108.9(8) . . ?
C27 C26 C23 110.2(7) . . ?
O8 C27 O9 124.2(6) . . ?
O8 C27 C26 116.7(6) . . ?
O9 C27 C26 119.1(7) . . ?
C31 C28 H28A 109.5 . . ?
C31 C28 H28B 109.5 . . ?
H28A C28 H28B 109.5 . . ?
C31 C28 H28C 109.5 . . ?
H28A C28 H28C 109.5 . . ?
H28B C28 H28C 109.5 . . ?
C31 C29 H29A 109.5 . . ?
C31 C29 H29B 109.5 . . ?
H29A C29 H29B 109.5 . . ?
C31 C29 H29C 109.5 . . ?
H29A C29 H29C 109.5 . . ?
H29B C29 H29C 109.5 . . ?
C31 C30 H30A 109.5 . . ?
C31 C30 H30B 109.5 . . ?
H30A C30 H30B 109.5 . . ?
C31 C30 H30C 109.5 . . ?
H30A C30 H30C 109.5 . . ?
H30B C30 H30C 109.5 . . ?
C28 C31 C29 108.8(11) . . ?
C28 C31 C32 110.6(9) . . ?
C29 C31 C32 109.8(9) . . ?
C28 C31 C30 106.3(10) . . ?
C29 C31 C30 109.4(10) . . ?
C32 C31 C30 111.8(9) . . ?
O10 C32 O11 121.5(8) . . ?
O10 C32 C31 120.9(8) . . ?
O11 C32 C31 117.5(9) . . ?
O10 C32 Dy2 63.1(4) . . ?
O11 C32 Dy2 58.6(4) . . ?
C31 C32 Dy2 174.2(7) . . ?

_diffrn_measured_fraction_theta_max 0.982
_diffrn_reflns_theta_full        27.51
_diffrn_measured_fraction_theta_full 0.982
_refine_diff_density_max         1.881
_refine_diff_density_min         -1.310
_refine_diff_density_rms         0.155

# SQUEEZE RESULTS (APPEND TO CIF)
loop_
_platon_squeeze_void_nr
_platon_squeeze_void_average_x
_platon_squeeze_void_average_y
_platon_squeeze_void_average_z
_platon_squeeze_void_volume
_platon_squeeze_void_count_electrons
1 0.000 0.500 0.500 272.5 4.4
2 0.164 0.755 0.795 29.5 6.5
3 0.445 0.524 0.145 8.9 -0.2
4 0.555 0.476 0.855 9.0 -0.4
5 0.836 0.245 0.205 28.3 7.7
_platon_squeeze_details          
; ?
;

_database_code_depnum_ccdc_archive 'CCDC 948364'
