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

#######################################################################
#
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#                                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.
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#  fide research purposes only. It may contain copyright material
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data_1

_audit_creation_method           SHELXL-97
_chemical_name_systematic        
; 
 ? 
;
_chemical_name_common            ?
_chemical_melting_point          ?
_chemical_formula_moiety         ?
_chemical_formula_sum            'C67 H63 Dy N2 O10 Zn'
_chemical_formula_weight         1284.06

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'
Zn Zn 0.2839 1.4301 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Dy Dy -0.1892 4.4098 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'

_space_group_crystal_system      triclinic
_space_group_IT_number           2
_space_group_name_H-M_alt        'P -1'
_space_group_name_Hall           '-P 1'

_shelx_space_group_comment       
;
The symmetry employed for this shelxl refinement is uniquely defined
by the following loop, which should always be used as a source of
symmetry information in preference to the above space-group names.
They are only intended as comments.
;

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

_cell_length_a                   11.3016(16)
_cell_length_b                   11.4641(16)
_cell_length_c                   23.981(3)
_cell_angle_alpha                102.188(6)
_cell_angle_beta                 92.647(6)
_cell_angle_gamma                107.389(5)
_cell_volume                     2878.2(7)
_cell_formula_units_Z            2
_cell_measurement_temperature    153(2)
_cell_measurement_reflns_used    11979
_cell_measurement_theta_min      2.1842
_cell_measurement_theta_max      31.4919

_exptl_crystal_description       Platelet
_exptl_crystal_colour            Yellow
_exptl_crystal_size_max          0.4100
_exptl_crystal_size_mid          0.3450
_exptl_crystal_size_min          0.045
_exptl_crystal_density_meas      ?
_exptl_crystal_density_diffrn    1.482
_exptl_crystal_density_method    'not measured'
_exptl_crystal_F_000             1310
_exptl_absorpt_coefficient_mu    1.767
_exptl_absorpt_correction_type   Multi-scan
_exptl_absorpt_correction_T_min  0.8836
_exptl_absorpt_correction_T_max  1.0000
_exptl_absorpt_process_details   ?

_exptl_special_details           
; 
 Higashi, T. (1995). Program for Absorption Correction.
 Rigaku Corporation, Tokyo, Japan 
;

_diffrn_ambient_temperature      153(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       dtprofit.ref
_diffrn_detector_area_resol_mean 28.5714
_diffrn_standards_decay_%        ?
_diffrn_reflns_number            43309
_diffrn_reflns_av_R_equivalents  0.0420
_diffrn_reflns_av_sigmaI/netI    0.0610
_diffrn_reflns_limit_h_min       -16
_diffrn_reflns_limit_h_max       16
_diffrn_reflns_limit_k_min       -16
_diffrn_reflns_limit_k_max       16
_diffrn_reflns_limit_l_min       -35
_diffrn_reflns_limit_l_max       34
_diffrn_reflns_theta_min         2.23
_diffrn_reflns_theta_max         31.50
_reflns_number_total             18804
_reflns_number_gt                17284
_reflns_threshold_expression     >2sigma(I)

_computing_data_collection       'CrystalClear (Rigaku Inc., 2008)'
_computing_cell_refinement       'CrystalClear (Rigaku Inc., 2008)'
_computing_data_reduction        'CrystalClear (Rigaku Inc., 2008)'
_computing_structure_solution    'SHELXS-97 (Sheldrick, 1990)'
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 1997)'
_computing_molecular_graphics    ?
_computing_publication_material  ?

_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. 
;

_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)+(0.0364P)²+3.6794P] where P=(Fo²+2Fc²)/3'
_atom_sites_solution_primary     direct
_atom_sites_solution_secondary   difmap
_atom_sites_solution_hydrogens   geom
_refine_ls_hydrogen_treatment    constr
_refine_ls_extinction_method     none
_refine_ls_extinction_coef       ?
_refine_ls_number_reflns         18804
_refine_ls_number_parameters     731
_refine_ls_number_restraints     0
_refine_ls_R_factor_all          0.0568
_refine_ls_R_factor_gt           0.0510
_refine_ls_wR_factor_ref         0.1084
_refine_ls_wR_factor_gt          0.1044
_refine_ls_goodness_of_fit_ref   1.071
_refine_ls_restrained_S_all      1.071
_refine_ls_shift/su_max          0.001
_refine_ls_shift/su_mean         0.000

loop_
_atom_site_label
_atom_site_type_symbol
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_U_iso_or_equiv
_atom_site_adp_type
_atom_site_occupancy
_atom_site_symmetry_multiplicity
_atom_site_calc_flag
_atom_site_refinement_flags
_atom_site_disorder_assembly
_atom_site_disorder_group
Dy1 Dy 0.325764(12) 0.735171(13) 0.281937(6) 0.01857(4) Uani 1 1 d . . .
Zn2 Zn 0.09908(3) 0.82946(3) 0.219547(15) 0.01942(7) Uani 1 1 d . . .
O5 O 0.26069(19) 0.9031(2) 0.27577(9) 0.0208(4) Uani 1 1 d . . .
O14 O 0.1777(2) 0.5425(2) 0.31296(10) 0.0246(4) Uani 1 1 d . . .
O10 O 0.3462(2) 0.5533(2) 0.22754(10) 0.0256(5) Uani 1 1 d . . .
O11 O 0.4792(2) 0.7007(2) 0.33690(10) 0.0254(4) Uani 1 1 d . . .
O7 O 0.1065(2) 0.9800(2) 0.18318(10) 0.0275(5) Uani 1 1 d . . .
O6 O 0.4828(2) 0.9618(2) 0.32689(10) 0.0262(5) Uani 1 1 d . . .
O13 O 0.1195(2) 0.6698(2) 0.24515(10) 0.0227(4) Uani 1 1 d . . .
O8 O 0.1672(2) 0.7577(2) 0.14741(10) 0.0305(5) Uani 1 1 d . . .
O9 O 0.4495(2) 0.7926(2) 0.21375(10) 0.0254(5) Uani 1 1 d . . .
O12 O 0.2889(2) 0.7945(2) 0.37759(10) 0.0262(5) Uani 1 1 d . . .
C4 C 0.0551(3) 0.4987(3) 0.28841(13) 0.0223(6) Uani 1 1 d . . .
N3 N 0.0198(2) 0.9207(3) 0.29282(11) 0.0236(5) Uani 1 1 d . . .
C14 C 0.2251(3) 1.0887(3) 0.33298(13) 0.0217(6) Uani 1 1 d . . .
C6 C 0.0278(3) 0.5695(3) 0.25128(13) 0.0211(5) Uani 1 1 d . . .
C20 C 0.2994(3) 1.0123(3) 0.31563(12) 0.0209(5) Uani 1 1 d . . .
C16 C 0.4039(4) 1.2465(3) 0.39567(15) 0.0300(7) Uani 1 1 d . . .
N4 N -0.0982(2) 0.7275(3) 0.19087(12) 0.0247(5) Uani 1 1 d . . .
C15 C 0.2794(3) 1.2043(3) 0.37309(14) 0.0271(6) Uani 1 1 d . . .
H15A H 0.2286 1.2554 0.3852 0.032 Uiso 1 1 calc R . .
C19 C 0.4227(3) 1.0504(3) 0.34317(13) 0.0232(6) Uani 1 1 d . . .
C28 C 0.1286(3) 0.9911(3) 0.13313(14) 0.0253(6) Uani 1 1 d . . .
C61 C 0.5699(3) 0.8211(3) 0.13756(14) 0.0234(6) Uani 1 1 d . . .
C30 C 0.1890(3) 0.7977(3) 0.10297(14) 0.0254(6) Uani 1 1 d . . .
C8 C -0.1824(3) 0.4240(3) 0.23155(15) 0.0282(7) Uani 1 1 d . . .
H8A H -0.2645 0.3986 0.2122 0.034 Uiso 1 1 calc R . .
C46 C 0.6324(3) 0.6957(3) 0.40591(13) 0.0223(6) Uani 1 1 d . . .
C60 C 0.4931(3) 0.7382(3) 0.17156(13) 0.0209(5) Uani 1 1 d . . .
C18 C 0.4759(3) 1.1656(3) 0.38149(14) 0.0281(7) Uani 1 1 d . . .
H18A H 0.5602 1.1899 0.3981 0.034 Uiso 1 1 calc R . .
C43 C 0.3294(3) 0.7769(3) 0.42385(13) 0.0241(6) Uani 1 1 d . . .
C12 C -0.1094(3) 0.9004(3) 0.26869(16) 0.0305(7) Uani 1 1 d . . .
H12A H -0.1084 0.9550 0.2416 0.037 Uiso 1 1 calc R . .
H12B H -0.1580 0.9238 0.3000 0.037 Uiso 1 1 calc R . .
C27 C 0.1026(3) 1.1008(3) 0.11570(14) 0.0267(6) Uani 1 1 d . . .
C13 C 0.0905(3) 1.0563(3) 0.30870(14) 0.0251(6) Uani 1 1 d . . .
H13A H 0.0476 1.0991 0.3374 0.030 Uiso 1 1 calc R . .
H13B H 0.0883 1.0905 0.2742 0.030 Uiso 1 1 calc R . .
C3 C -0.0343(3) 0.3928(3) 0.29689(14) 0.0250(6) Uani 1 1 d . . .
H3A H -0.0133 0.3460 0.3218 0.030 Uiso 1 1 calc R . .
C44 C 0.4393(3) 0.7460(3) 0.43344(14) 0.0271(6) Uani 1 1 d . . .
H44A H 0.4657 0.7455 0.4715 0.033 Uiso 1 1 calc R . .
C7 C -0.0923(3) 0.5296(3) 0.22170(14) 0.0234(6) Uani 1 1 d . . .
C42 C 0.2538(3) 0.7920(4) 0.47311(14) 0.0285(7) Uani 1 1 d . . .
C51 C 0.6802(3) 0.6221(3) 0.36461(15) 0.0282(7) Uani 1 1 d . . .
H51A H 0.6363 0.5869 0.3271 0.034 Uiso 1 1 calc R . .
C45 C 0.5115(3) 0.7162(3) 0.39020(14) 0.0232(6) Uani 1 1 d . . .
C58 C 0.4136(3) 0.5252(3) 0.18930(13) 0.0230(6) Uani 1 1 d . . .
C36 C 0.2360(3) 0.5991(3) 0.06503(16) 0.0334(7) Uani 1 1 d . . .
H36A H 0.2143 0.5767 0.1000 0.040 Uiso 1 1 calc R . .
C59 C 0.4807(3) 0.6095(3) 0.15841(14) 0.0253(6) Uani 1 1 d . . .
H59A H 0.5196 0.5779 0.1270 0.030 Uiso 1 1 calc R . .
C2 C -0.1550(3) 0.3554(3) 0.26880(16) 0.0292(7) Uani 1 1 d . . .
C31 C 0.2310(3) 0.7135(3) 0.05604(14) 0.0277(6) Uani 1 1 d . . .
C57 C 0.4217(3) 0.3946(3) 0.17921(15) 0.0274(6) Uani 1 1 d . . .
C29 C 0.1720(3) 0.9091(3) 0.09357(14) 0.0278(6) Uani 1 1 d . . .
H29A H 0.1912 0.9300 0.0581 0.033 Uiso 1 1 calc R . .
C5 C 0.2195(3) 0.4616(4) 0.34140(17) 0.0347(8) Uani 1 1 d . . .
H5A H 0.1768 0.4538 0.3757 0.052 Uiso 1 1 calc R . .
H5B H 0.3098 0.4973 0.3526 0.052 Uiso 1 1 calc R . .
H5C H 0.2004 0.3784 0.3153 0.052 Uiso 1 1 calc R . .
C10 C -0.1341(3) 0.7646(3) 0.13845(15) 0.0308(7) Uani 1 1 d . . .
H10A H -0.2224 0.7193 0.1248 0.046 Uiso 1 1 calc R . .
H10B H -0.0829 0.7436 0.1084 0.046 Uiso 1 1 calc R . .
H10C H -0.1208 0.8554 0.1475 0.046 Uiso 1 1 calc R . .
C41 C 0.2286(3) 0.7049(4) 0.50703(15) 0.0363(8) Uani 1 1 d . . .
H41A H 0.2620 0.6370 0.4998 0.044 Uiso 1 1 calc R . .
C11 C -0.1713(3) 0.7636(3) 0.23743(15) 0.0297(7) Uani 1 1 d . . .
H11A H -0.1764 0.7091 0.2648 0.036 Uiso 1 1 calc R . .
H11B H -0.2573 0.7516 0.2210 0.036 Uiso 1 1 calc R . .
C9 C -0.1220(3) 0.5893(3) 0.17457(14) 0.0271(6) Uani 1 1 d . . .
H9A H -0.0723 0.5708 0.1429 0.033 Uiso 1 1 calc R . .
H9B H -0.2112 0.5482 0.1594 0.033 Uiso 1 1 calc R . .
C34 C 0.3040(4) 0.5478(4) -0.02757(18) 0.0439(10) Uani 1 1 d . . .
H34A H 0.3292 0.4917 -0.0560 0.053 Uiso 1 1 calc R . .
C21 C 0.6055(3) 0.9891(3) 0.35471(18) 0.0344(8) Uani 1 1 d . . .
H21A H 0.6443 1.0804 0.3676 0.052 Uiso 1 1 calc R . .
H21B H 0.6556 0.9542 0.3277 0.052 Uiso 1 1 calc R . .
H21C H 0.6007 0.9514 0.3880 0.052 Uiso 1 1 calc R . .
C62 C 0.5800(3) 0.7793(4) 0.07957(15) 0.0315(7) Uani 1 1 d . . .
H62A H 0.5329 0.6961 0.0595 0.038 Uiso 1 1 calc R . .
C25 C 0.0626(4) 1.2099(4) 0.04436(17) 0.0411(9) Uani 1 1 d . . .
H25A H 0.0561 1.2146 0.0053 0.049 Uiso 1 1 calc R . .
C22 C 0.0797(4) 1.1933(4) 0.15723(17) 0.0406(9) Uani 1 1 d . . .
H22A H 0.0848 1.1884 0.1963 0.049 Uiso 1 1 calc R . .
C63 C 0.6587(4) 0.8589(4) 0.05097(17) 0.0407(9) Uani 1 1 d . . .
H63A H 0.6651 0.8298 0.0114 0.049 Uiso 1 1 calc R . .
C37 C 0.2060(3) 0.8917(4) 0.48413(16) 0.0370(8) Uani 1 1 d . . .
H37A H 0.2217 0.9507 0.4607 0.044 Uiso 1 1 calc R . .
C24 C 0.0393(4) 1.3002(4) 0.08621(19) 0.0417(9) Uani 1 1 d . . .
H24A H 0.0165 1.3671 0.0762 0.050 Uiso 1 1 calc R . .
C26 C 0.0956(4) 1.1117(4) 0.05907(16) 0.0359(8) Uani 1 1 d . . .
H26A H 0.1137 1.0513 0.0300 0.043 Uiso 1 1 calc R . .
C17 C 0.4630(4) 1.3772(3) 0.43370(17) 0.0397(9) Uani 1 1 d . . .
H17A H 0.3997 1.4199 0.4396 0.060 Uiso 1 1 calc R . .
H17B H 0.5302 1.4253 0.4152 0.060 Uiso 1 1 calc R . .
H17C H 0.4973 1.3710 0.4709 0.060 Uiso 1 1 calc R . .
C52 C 0.4075(4) 0.3356(4) 0.22478(18) 0.0371(8) Uani 1 1 d . . .
H52A H 0.3924 0.3787 0.2608 0.045 Uiso 1 1 calc R . .
C50 C 0.7915(3) 0.6000(4) 0.37775(17) 0.0348(8) Uani 1 1 d . . .
H50A H 0.8230 0.5492 0.3496 0.042 Uiso 1 1 calc R . .
C33 C 0.2986(5) 0.6611(5) -0.03721(18) 0.0508(11) Uani 1 1 d . . .
H33A H 0.3193 0.6823 -0.0725 0.061 Uiso 1 1 calc R . .
C65 C 0.7160(4) 1.0240(4) 0.13664(19) 0.0409(9) Uani 1 1 d . . .
H65A H 0.7623 1.1077 0.1562 0.049 Uiso 1 1 calc R . .
C49 C 0.8559(3) 0.6522(4) 0.43205(18) 0.0413(9) Uani 1 1 d . . .
H49A H 0.9319 0.6373 0.4412 0.050 Uiso 1 1 calc R . .
C56 C 0.4438(4) 0.3296(3) 0.12723(17) 0.0362(8) Uani 1 1 d . . .
H56A H 0.4552 0.3684 0.0957 0.043 Uiso 1 1 calc R . .
C35 C 0.2726(4) 0.5171(4) 0.02324(19) 0.0418(9) Uani 1 1 d . . .
H35A H 0.2759 0.4393 0.0299 0.050 Uiso 1 1 calc R . .
C23 C 0.0495(5) 1.2928(4) 0.14288(19) 0.0475(11) Uani 1 1 d . . .
H23A H 0.0357 1.3560 0.1721 0.057 Uiso 1 1 calc R . .
C38 C 0.1348(4) 0.9052(5) 0.52970(18) 0.0498(12) Uani 1 1 d . . .
H38A H 0.1040 0.9748 0.5380 0.060 Uiso 1 1 calc R . .
C47 C 0.6990(3) 0.7480(4) 0.46022(16) 0.0325(7) Uani 1 1 d . . .
H47A H 0.6681 0.7989 0.4886 0.039 Uiso 1 1 calc R . .
C54 C 0.4359(4) 0.1515(4) 0.1665(2) 0.0449(10) Uani 1 1 d . . .
H54A H 0.4409 0.0688 0.1621 0.054 Uiso 1 1 calc R . .
C40 C 0.1546(4) 0.7167(5) 0.55159(17) 0.0483(11) Uani 1 1 d . . .
H40A H 0.1357 0.6560 0.5741 0.058 Uiso 1 1 calc R . .
C66 C 0.6361(3) 0.9452(3) 0.16530(17) 0.0324(7) Uani 1 1 d . . .
H66A H 0.6266 0.9763 0.2042 0.039 Uiso 1 1 calc R . .
C64 C 0.7278(4) 0.9800(4) 0.07945(19) 0.0427(10) Uani 1 1 d . . .
H64A H 0.7833 1.0330 0.0599 0.051 Uiso 1 1 calc R . .
C1 C -0.2547(4) 0.2441(4) 0.28044(19) 0.0412(9) Uani 1 1 d . . .
H1A H -0.3332 0.2302 0.2570 0.062 Uiso 1 1 calc R . .
H1B H -0.2668 0.2612 0.3212 0.062 Uiso 1 1 calc R . .
H1C H -0.2285 0.1688 0.2706 0.062 Uiso 1 1 calc R . .
C39 C 0.1091(4) 0.8174(5) 0.56260(17) 0.0540(13) Uani 1 1 d . . .
H39A H 0.0596 0.8263 0.5932 0.065 Uiso 1 1 calc R . .
C32 C 0.2632(4) 0.7438(4) 0.00449(17) 0.0427(9) Uani 1 1 d . . .
H32A H 0.2609 0.8219 -0.0023 0.051 Uiso 1 1 calc R . .
C55 C 0.4496(4) 0.2075(4) 0.1208(2) 0.0471(10) Uani 1 1 d . . .
H55A H 0.4629 0.1630 0.0847 0.057 Uiso 1 1 calc R . .
C48 C 0.8100(4) 0.7264(5) 0.47324(18) 0.0439(10) Uani 1 1 d . . .
H48A H 0.8549 0.7624 0.5105 0.053 Uiso 1 1 calc R . .
C53 C 0.4151(4) 0.2151(4) 0.2185(2) 0.0466(11) Uani 1 1 d . . .
H53A H 0.4059 0.1766 0.2501 0.056 Uiso 1 1 calc R . .
C67 C 0.0211(3) 0.8662(3) 0.34350(14) 0.0271(6) Uani 1 1 d . . .
H67A H -0.0155 0.9101 0.3741 0.041 Uiso 1 1 calc R . .
H67B H 0.1074 0.8759 0.3571 0.041 Uiso 1 1 calc R . .
H67C H -0.0276 0.7767 0.3328 0.041 Uiso 1 1 calc R . .


_geom_special_details            
; 
 All esds (except the esd in the dihedral angle between two l.s. planes) 
 are estimated using the full covariance matrix.  The cell esds are taken 
 into account individually in the estimation of esds in distances, angles 
 and torsion angles; correlations between esds in cell parameters are only 
 used when they are defined by crystal symmetry.  An approximate (isotropic) 
 treatment of cell esds is used for estimating esds involving l.s. planes. 
;

loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_site_symmetry_2
_geom_bond_publ_flag
Dy1 O9 2.276(2) . ?
Dy1 O5 2.286(2) . ?
Dy1 O13 2.293(2) . ?
Dy1 O10 2.296(2) . ?
Dy1 O11 2.306(2) . ?
Dy1 O12 2.345(2) . ?
Dy1 O14 2.614(2) . ?
Dy1 O6 2.636(2) . ?
Dy1 Zn2 3.4575(5) . ?
Zn2 O8 2.041(2) . ?
Zn2 O5 2.058(2) . ?
Zn2 O7 2.074(2) . ?
Zn2 O13 2.120(2) . ?
Zn2 N4 2.185(3) . ?
Zn2 N3 2.217(3) . ?
O5 C20 1.342(4) . ?
O14 C4 1.379(4) . ?
O14 C5 1.431(4) . ?
O10 C58 1.269(4) . ?
O11 C45 1.273(4) . ?
O7 C28 1.262(4) . ?
O6 C19 1.384(4) . ?
O6 C21 1.426(4) . ?
O13 C6 1.338(3) . ?
O8 C30 1.253(4) . ?
O9 C60 1.272(4) . ?
O12 C43 1.259(4) . ?
C4 C3 1.388(4) . ?
C4 C6 1.405(4) . ?
N3 C12 1.477(4) . ?
N3 C13 1.477(4) . ?
N3 C67 1.480(4) . ?
C14 C20 1.401(4) . ?
C14 C15 1.407(4) . ?
C14 C13 1.510(4) . ?
C6 C7 1.400(4) . ?
C20 C19 1.414(4) . ?
C16 C15 1.386(5) . ?
C16 C18 1.408(5) . ?
C16 C17 1.513(5) . ?
N4 C11 1.481(4) . ?
N4 C10 1.486(4) . ?
N4 C9 1.487(4) . ?
C19 C18 1.383(4) . ?
C28 C29 1.403(5) . ?
C28 C27 1.507(5) . ?
C61 C62 1.394(5) . ?
C61 C66 1.395(5) . ?
C61 C60 1.490(4) . ?
C30 C29 1.408(5) . ?
C30 C31 1.513(5) . ?
C8 C2 1.389(5) . ?
C8 C7 1.402(4) . ?
C46 C47 1.390(5) . ?
C46 C51 1.398(5) . ?
C46 C45 1.499(4) . ?
C60 C59 1.404(4) . ?
C43 C44 1.411(4) . ?
C43 C42 1.500(4) . ?
C12 C11 1.521(5) . ?
C27 C22 1.388(5) . ?
C27 C26 1.391(5) . ?
C3 C2 1.393(5) . ?
C44 C45 1.398(4) . ?
C7 C9 1.512(4) . ?
C42 C37 1.387(5) . ?
C42 C41 1.391(5) . ?
C51 C50 1.390(5) . ?
C58 C59 1.405(4) . ?
C58 C57 1.497(4) . ?
C36 C35 1.389(5) . ?
C36 C31 1.390(5) . ?
C2 C1 1.515(5) . ?
C31 C32 1.389(5) . ?
C57 C56 1.386(5) . ?
C57 C52 1.393(5) . ?
C41 C40 1.396(5) . ?
C34 C35 1.371(6) . ?
C34 C33 1.384(6) . ?
C62 C63 1.390(5) . ?
C25 C24 1.377(6) . ?
C25 C26 1.392(5) . ?
C22 C23 1.387(5) . ?
C63 C64 1.380(6) . ?
C37 C38 1.397(5) . ?
C24 C23 1.381(6) . ?
C52 C53 1.386(5) . ?
C50 C49 1.381(6) . ?
C33 C32 1.387(6) . ?
C65 C64 1.385(6) . ?
C65 C66 1.391(5) . ?
C49 C48 1.387(6) . ?
C56 C55 1.397(5) . ?
C38 C39 1.379(7) . ?
C47 C48 1.383(5) . ?
C54 C55 1.374(6) . ?
C54 C53 1.375(7) . ?
C40 C39 1.380(7) . ?

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
O9 Dy1 O5 84.91(8) . . ?
O9 Dy1 O13 110.10(8) . . ?
O5 Dy1 O13 69.14(7) . . ?
O9 Dy1 O10 73.63(8) . . ?
O5 Dy1 O10 142.45(8) . . ?
O13 Dy1 O10 89.48(8) . . ?
O9 Dy1 O11 94.83(8) . . ?
O5 Dy1 O11 136.23(8) . . ?
O13 Dy1 O11 147.23(8) . . ?
O10 Dy1 O11 77.17(8) . . ?
O9 Dy1 O12 144.64(8) . . ?
O5 Dy1 O12 81.08(8) . . ?
O13 Dy1 O12 94.93(8) . . ?
O10 Dy1 O12 132.94(8) . . ?
O11 Dy1 O12 74.19(8) . . ?
O9 Dy1 O14 143.79(8) . . ?
O5 Dy1 O14 120.26(7) . . ?
O13 Dy1 O14 63.17(7) . . ?
O10 Dy1 O14 70.86(8) . . ?
O11 Dy1 O14 84.12(7) . . ?
O12 Dy1 O14 69.76(8) . . ?
O9 Dy1 O6 72.48(8) . . ?
O5 Dy1 O6 62.52(7) . . ?
O13 Dy1 O6 131.24(7) . . ?
O10 Dy1 O6 133.98(8) . . ?
O11 Dy1 O6 75.65(8) . . ?
O12 Dy1 O6 72.25(8) . . ?
O14 Dy1 O6 140.54(7) . . ?
O9 Dy1 Zn2 89.17(6) . . ?
O5 Dy1 Zn2 35.04(5) . . ?
O13 Dy1 Zn2 36.68(5) . . ?
O10 Dy1 Zn2 112.72(6) . . ?
O11 Dy1 Zn2 170.06(6) . . ?
O12 Dy1 Zn2 97.36(5) . . ?
O14 Dy1 Zn2 98.00(5) . . ?
O6 Dy1 Zn2 96.99(5) . . ?
O8 Zn2 O5 99.95(10) . . ?
O8 Zn2 O7 86.04(9) . . ?
O5 Zn2 O7 100.76(9) . . ?
O8 Zn2 O13 82.89(9) . . ?
O5 Zn2 O13 76.88(8) . . ?
O7 Zn2 O13 168.06(9) . . ?
O8 Zn2 N4 97.03(11) . . ?
O5 Zn2 N4 156.83(9) . . ?
O7 Zn2 N4 96.02(10) . . ?
O13 Zn2 N4 89.77(9) . . ?
O8 Zn2 N3 173.99(10) . . ?
O5 Zn2 N3 82.86(9) . . ?
O7 Zn2 N3 88.22(10) . . ?
O13 Zn2 N3 102.97(9) . . ?
N4 Zn2 N3 81.80(10) . . ?
O8 Zn2 Dy1 80.45(7) . . ?
O5 Zn2 Dy1 39.61(6) . . ?
O7 Zn2 Dy1 133.08(7) . . ?
O13 Zn2 Dy1 40.25(6) . . ?
N4 Zn2 Dy1 130.01(7) . . ?
N3 Zn2 Dy1 104.84(7) . . ?
C20 O5 Zn2 128.41(19) . . ?
C20 O5 Dy1 122.69(18) . . ?
Zn2 O5 Dy1 105.35(9) . . ?
C4 O14 C5 116.8(2) . . ?
C4 O14 Dy1 116.88(17) . . ?
C5 O14 Dy1 124.41(19) . . ?
C58 O10 Dy1 136.2(2) . . ?
C45 O11 Dy1 136.6(2) . . ?
C28 O7 Zn2 128.6(2) . . ?
C19 O6 C21 116.9(3) . . ?
C19 O6 Dy1 112.58(18) . . ?
C21 O6 Dy1 125.6(2) . . ?
C6 O13 Zn2 126.85(19) . . ?
C6 O13 Dy1 128.19(18) . . ?
Zn2 O13 Dy1 103.07(9) . . ?
C30 O8 Zn2 130.2(2) . . ?
C60 O9 Dy1 137.2(2) . . ?
C43 O12 Dy1 132.9(2) . . ?
O14 C4 C3 124.8(3) . . ?
O14 C4 C6 113.6(3) . . ?
C3 C4 C6 121.6(3) . . ?
C12 N3 C13 110.3(3) . . ?
C12 N3 C67 111.1(3) . . ?
C13 N3 C67 110.0(3) . . ?
C12 N3 Zn2 103.3(2) . . ?
C13 N3 Zn2 108.43(19) . . ?
C67 N3 Zn2 113.53(19) . . ?
C20 C14 C15 118.8(3) . . ?
C20 C14 C13 123.3(3) . . ?
C15 C14 C13 117.8(3) . . ?
O13 C6 C7 123.6(3) . . ?
O13 C6 C4 117.9(3) . . ?
C7 C6 C4 118.4(3) . . ?
O5 C20 C14 124.6(3) . . ?
O5 C20 C19 117.3(3) . . ?
C14 C20 C19 118.0(3) . . ?
C15 C16 C18 118.4(3) . . ?
C15 C16 C17 121.4(3) . . ?
C18 C16 C17 120.2(3) . . ?
C11 N4 C10 110.1(3) . . ?
C11 N4 C9 111.9(3) . . ?
C10 N4 C9 106.8(3) . . ?
C11 N4 Zn2 108.0(2) . . ?
C10 N4 Zn2 108.4(2) . . ?
C9 N4 Zn2 111.56(19) . . ?
C16 C15 C14 122.7(3) . . ?
C18 C19 O6 124.7(3) . . ?
C18 C19 C20 122.4(3) . . ?
O6 C19 C20 112.9(3) . . ?
O7 C28 C29 125.1(3) . . ?
O7 C28 C27 115.7(3) . . ?
C29 C28 C27 119.2(3) . . ?
C62 C61 C66 118.7(3) . . ?
C62 C61 C60 122.8(3) . . ?
C66 C61 C60 118.5(3) . . ?
O8 C30 C29 125.1(3) . . ?
O8 C30 C31 115.2(3) . . ?
C29 C30 C31 119.7(3) . . ?
C2 C8 C7 121.8(3) . . ?
C47 C46 C51 118.8(3) . . ?
C47 C46 C45 122.1(3) . . ?
C51 C46 C45 119.0(3) . . ?
O9 C60 C59 124.2(3) . . ?
O9 C60 C61 116.2(3) . . ?
C59 C60 C61 119.4(3) . . ?
C19 C18 C16 119.3(3) . . ?
O12 C43 C44 126.0(3) . . ?
O12 C43 C42 116.3(3) . . ?
C44 C43 C42 117.7(3) . . ?
N3 C12 C11 110.6(3) . . ?
C22 C27 C26 117.8(3) . . ?
C22 C27 C28 119.2(3) . . ?
C26 C27 C28 123.0(3) . . ?
N3 C13 C14 115.2(3) . . ?
C4 C3 C2 120.0(3) . . ?
C45 C44 C43 123.9(3) . . ?
C6 C7 C8 119.3(3) . . ?
C6 C7 C9 120.9(3) . . ?
C8 C7 C9 119.4(3) . . ?
C37 C42 C41 119.6(3) . . ?
C37 C42 C43 119.9(3) . . ?
C41 C42 C43 120.5(3) . . ?
C50 C51 C46 120.7(3) . . ?
O11 C45 C44 123.9(3) . . ?
O11 C45 C46 116.6(3) . . ?
C44 C45 C46 119.4(3) . . ?
O10 C58 C59 123.9(3) . . ?
O10 C58 C57 115.9(3) . . ?
C59 C58 C57 120.3(3) . . ?
C35 C36 C31 120.5(4) . . ?
C60 C59 C58 123.3(3) . . ?
C8 C2 C3 118.8(3) . . ?
C8 C2 C1 121.0(3) . . ?
C3 C2 C1 120.1(3) . . ?
C32 C31 C36 118.6(3) . . ?
C32 C31 C30 123.5(3) . . ?
C36 C31 C30 117.9(3) . . ?
C56 C57 C52 118.2(3) . . ?
C56 C57 C58 123.6(3) . . ?
C52 C57 C58 118.2(3) . . ?
C28 C29 C30 124.4(3) . . ?
C42 C41 C40 120.4(4) . . ?
N4 C11 C12 109.8(3) . . ?
N4 C9 C7 116.4(3) . . ?
C35 C34 C33 119.6(4) . . ?
C63 C62 C61 120.2(4) . . ?
C24 C25 C26 120.2(4) . . ?
C23 C22 C27 121.3(4) . . ?
C64 C63 C62 120.6(4) . . ?
C42 C37 C38 119.9(4) . . ?
C25 C24 C23 119.5(4) . . ?
C27 C26 C25 121.0(4) . . ?
C53 C52 C57 121.1(4) . . ?
C49 C50 C51 119.6(3) . . ?
C34 C33 C32 120.3(4) . . ?
C64 C65 C66 119.8(4) . . ?
C50 C49 C48 120.3(3) . . ?
C57 C56 C55 120.5(4) . . ?
C34 C35 C36 120.5(4) . . ?
C24 C23 C22 120.1(4) . . ?
C39 C38 C37 120.0(4) . . ?
C48 C47 C46 120.5(3) . . ?
C55 C54 C53 120.0(4) . . ?
C39 C40 C41 119.4(4) . . ?
C65 C66 C61 120.8(4) . . ?
C63 C64 C65 119.8(3) . . ?
C38 C39 C40 120.7(4) . . ?
C33 C32 C31 120.6(4) . . ?
C54 C55 C56 120.2(4) . . ?
C47 C48 C49 120.1(4) . . ?
C54 C53 C52 119.9(4) . . ?

_diffrn_measured_fraction_theta_max 0.981
_diffrn_reflns_theta_full        31.50
_diffrn_measured_fraction_theta_full 0.981
_refine_diff_density_max         1.444
_refine_diff_density_min         -2.477
_refine_diff_density_rms         0.122
_database_code_depnum_ccdc_archive 'CCDC 990984'
#######################################################################
#
#                 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_2

_audit_creation_method           SHELXL-97
_chemical_name_systematic        
; 
 ? 
;
_chemical_name_common            ?
_chemical_melting_point          ?
_chemical_formula_moiety         ?
_chemical_formula_sum            'C67 H63 Co N2 O10 Y'
_chemical_formula_weight         1204.03

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'
Y Y -2.7962 3.5667 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'

_space_group_crystal_system      triclinic
_space_group_IT_number           2
_space_group_name_H-M_alt        'P -1'
_space_group_name_Hall           '-P 1'

_shelx_space_group_comment       
;
The symmetry employed for this shelxl refinement is uniquely defined
by the following loop, which should always be used as a source of
symmetry information in preference to the above space-group names.
They are only intended as comments.
;

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

_cell_length_a                   11.2773(13)
_cell_length_b                   11.4817(11)
_cell_length_c                   23.930(3)
_cell_angle_alpha                102.194(6)
_cell_angle_beta                 92.759(5)
_cell_angle_gamma                107.234(5)
_cell_volume                     2872.3(5)
_cell_formula_units_Z            2
_cell_measurement_temperature    153(2)
_cell_measurement_reflns_used    10643
_cell_measurement_theta_min      1.9051
_cell_measurement_theta_max      29.1270

_exptl_crystal_description       Prism
_exptl_crystal_colour            Red
_exptl_crystal_size_max          0.3400
_exptl_crystal_size_mid          0.1400
_exptl_crystal_size_min          0.0800
_exptl_crystal_density_meas      ?
_exptl_crystal_density_diffrn    1.392
_exptl_crystal_density_method    'not measured'
_exptl_crystal_F_000             1250
_exptl_absorpt_coefficient_mu    1.357
_exptl_absorpt_correction_type   Multi-scan
_exptl_absorpt_correction_T_min  0.8469
_exptl_absorpt_correction_T_max  1.0000
_exptl_absorpt_process_details   ?

_exptl_special_details           
; 
 Higashi, T. (1995). Program for Absorption Correction.
 Rigaku Corporation, Tokyo, Japan  
;

_diffrn_ambient_temperature      153(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       dtprofit.ref
_diffrn_detector_area_resol_mean 28.5714
_diffrn_standards_decay_%        ?
_diffrn_reflns_number            34209
_diffrn_reflns_av_R_equivalents  0.0343
_diffrn_reflns_av_sigmaI/netI    0.0595
_diffrn_reflns_limit_h_min       -15
_diffrn_reflns_limit_h_max       15
_diffrn_reflns_limit_k_min       -15
_diffrn_reflns_limit_k_max       15
_diffrn_reflns_limit_l_min       -32
_diffrn_reflns_limit_l_max       32
_diffrn_reflns_theta_min         1.91
_diffrn_reflns_theta_max         29.13
_reflns_number_total             15123
_reflns_number_gt                12961
_reflns_threshold_expression     >2sigma(I)

_computing_data_collection       'CrystalClear (Rigaku Inc., 2008)'
_computing_cell_refinement       'CrystalClear (Rigaku Inc., 2008)'
_computing_data_reduction        'CrystalClear (Rigaku Inc., 2008)'
_computing_structure_solution    'SHELXS-97 (Sheldrick, 1990)'
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 1997)'
_computing_molecular_graphics    ?
_computing_publication_material  ?

_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. 
;

_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)+(0.0650P)²+0.6531P] where P=(Fo²+2Fc²)/3'
_atom_sites_solution_primary     direct
_atom_sites_solution_secondary   difmap
_atom_sites_solution_hydrogens   geom
_refine_ls_hydrogen_treatment    constr
_refine_ls_extinction_method     none
_refine_ls_extinction_coef       ?
_refine_ls_number_reflns         15123
_refine_ls_number_parameters     733
_refine_ls_number_restraints     0
_refine_ls_R_factor_all          0.0630
_refine_ls_R_factor_gt           0.0512
_refine_ls_wR_factor_ref         0.1350
_refine_ls_wR_factor_gt          0.1215
_refine_ls_goodness_of_fit_ref   1.067
_refine_ls_restrained_S_all      1.067
_refine_ls_shift/su_max          0.001
_refine_ls_shift/su_mean         0.000

loop_
_atom_site_label
_atom_site_type_symbol
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_U_iso_or_equiv
_atom_site_adp_type
_atom_site_occupancy
_atom_site_symmetry_multiplicity
_atom_site_calc_flag
_atom_site_refinement_flags
_atom_site_disorder_assembly
_atom_site_disorder_group
Y1 Y 0.32480(2) 0.73533(2) 0.281868(10) 0.01978(7) Uani 1 1 d . . .
Co2 Co 0.10030(3) 0.83034(3) 0.219056(13) 0.01917(8) Uani 1 1 d . . .
O5 O 0.25994(15) 0.90233(15) 0.27568(7) 0.0201(3) Uani 1 1 d . . .
O14 O 0.17977(16) 0.54440(16) 0.31358(8) 0.0254(4) Uani 1 1 d . . .
O10 O 0.34471(17) 0.55431(16) 0.22743(8) 0.0273(4) Uani 1 1 d . . .
O11 O 0.47826(16) 0.70205(17) 0.33641(8) 0.0255(4) Uani 1 1 d . . .
O7 O 0.10427(17) 0.97875(16) 0.18339(7) 0.0252(4) Uani 1 1 d . . .
O6 O 0.48207(16) 0.96024(17) 0.32651(8) 0.0265(4) Uani 1 1 d . . .
O13 O 0.12021(15) 0.67058(15) 0.24553(7) 0.0215(4) Uani 1 1 d . . .
O8 O 0.16569(18) 0.75584(17) 0.14743(8) 0.0271(4) Uani 1 1 d . . .
O9 O 0.44846(17) 0.79332(17) 0.21417(8) 0.0269(4) Uani 1 1 d . . .
O12 O 0.28858(16) 0.79584(17) 0.37684(8) 0.0255(4) Uani 1 1 d . . .
C4 C 0.0568(2) 0.4992(2) 0.28862(11) 0.0219(5) Uani 1 1 d . . .
N3 N 0.02037(19) 0.91982(19) 0.29173(9) 0.0216(4) Uani 1 1 d . . .
C14 C 0.2247(2) 1.0882(2) 0.33240(10) 0.0225(5) Uani 1 1 d . . .
C6 C 0.0290(2) 0.5704(2) 0.25142(10) 0.0212(5) Uani 1 1 d . . .
C20 C 0.2988(2) 1.0119(2) 0.31540(10) 0.0210(5) Uani 1 1 d . . .
C16 C 0.4041(3) 1.2452(2) 0.39529(11) 0.0299(6) Uani 1 1 d . . .
N4 N -0.09686(19) 0.7265(2) 0.19046(9) 0.0236(4) Uani 1 1 d . . .
C15 C 0.2796(3) 1.2036(2) 0.37247(11) 0.0275(6) Uani 1 1 d . . .
H15A H 0.2290 1.2552 0.3844 0.033 Uiso 1 1 calc R . .
C19 C 0.4226(2) 1.0501(2) 0.34292(11) 0.0237(5) Uani 1 1 d . . .
C28 C 0.1291(2) 0.9912(2) 0.13328(11) 0.0241(5) Uani 1 1 d . . .
C61 C 0.5697(2) 0.8216(3) 0.13812(12) 0.0266(5) Uani 1 1 d . . .
C30 C 0.1898(2) 0.7971(2) 0.10282(11) 0.0237(5) Uani 1 1 d . . .
C8 C -0.1810(2) 0.4241(2) 0.23129(12) 0.0287(6) Uani 1 1 d . . .
H8A H -0.2631 0.3984 0.2116 0.034 Uiso 1 1 calc R . .
C46 C 0.6322(2) 0.6957(2) 0.40510(12) 0.0254(5) Uani 1 1 d . . .
C60 C 0.4920(2) 0.7386(2) 0.17215(11) 0.0250(5) Uani 1 1 d . . .
C18 C 0.4751(3) 1.1647(2) 0.38098(11) 0.0287(6) Uani 1 1 d . . .
H18A H 0.5596 1.1890 0.3975 0.034 Uiso 1 1 calc R . .
C43 C 0.3291(2) 0.7783(2) 0.42371(11) 0.0255(5) Uani 1 1 d . . .
C12 C -0.1095(2) 0.8997(3) 0.26775(12) 0.0290(6) Uani 1 1 d . . .
H12A H -0.1091 0.9538 0.2405 0.035 Uiso 1 1 calc R . .
H12B H -0.1578 0.9233 0.2993 0.035 Uiso 1 1 calc R . .
C27 C 0.1040(2) 1.1010(2) 0.11586(11) 0.0249(5) Uani 1 1 d . . .
C13 C 0.0897(2) 1.0557(2) 0.30789(11) 0.0248(5) Uani 1 1 d . . .
H13A H 0.0461 1.0977 0.3367 0.030 Uiso 1 1 calc R . .
H13B H 0.0872 1.0900 0.2734 0.030 Uiso 1 1 calc R . .
C3 C -0.0320(2) 0.3942(2) 0.29731(12) 0.0268(5) Uani 1 1 d . . .
H3A H -0.0106 0.3481 0.3226 0.032 Uiso 1 1 calc R . .
C44 C 0.4394(2) 0.7476(3) 0.43332(11) 0.0293(6) Uani 1 1 d . . .
H44A H 0.4666 0.7478 0.4715 0.035 Uiso 1 1 calc R . .
C7 C -0.0911(2) 0.5298(2) 0.22166(11) 0.0238(5) Uani 1 1 d . . .
C42 C 0.2538(2) 0.7938(3) 0.47286(12) 0.0305(6) Uani 1 1 d . . .
C51 C 0.6799(2) 0.6233(3) 0.36368(12) 0.0290(6) Uani 1 1 d . . .
H51A H 0.6364 0.5894 0.3260 0.035 Uiso 1 1 calc R . .
C45 C 0.5108(2) 0.7171(2) 0.38984(11) 0.0249(5) Uani 1 1 d . . .
C58 C 0.4126(2) 0.5261(2) 0.18953(11) 0.0242(5) Uani 1 1 d . . .
C36 C 0.2364(3) 0.5989(3) 0.06450(13) 0.0332(6) Uani 1 1 d . . .
H36A H 0.2129 0.5753 0.0991 0.040 Uiso 1 1 calc R . .
C59 C 0.4815(2) 0.6101(2) 0.15947(12) 0.0275(5) Uani 1 1 d . . .
H59A H 0.5232 0.5790 0.1290 0.033 Uiso 1 1 calc R . .
C2 C -0.1534(3) 0.3558(2) 0.26892(12) 0.0293(6) Uani 1 1 d . . .
C31 C 0.2327(2) 0.7139(3) 0.05617(11) 0.0265(5) Uani 1 1 d . . .
C57 C 0.4212(2) 0.3958(3) 0.17983(12) 0.0288(6) Uani 1 1 d . . .
C29 C 0.1744(3) 0.9098(2) 0.09420(11) 0.0279(5) Uani 1 1 d . . .
H29A H 0.1965 0.9324 0.0592 0.033 Uiso 1 1 calc R . .
C5 C 0.2213(3) 0.4636(3) 0.34170(14) 0.0358(7) Uani 1 1 d . . .
H5A H 0.1787 0.4557 0.3761 0.054 Uiso 1 1 calc R . .
H5B H 0.3118 0.4989 0.3529 0.054 Uiso 1 1 calc R . .
H5C H 0.2021 0.3807 0.3154 0.054 Uiso 1 1 calc R . .
C10 C -0.1325(3) 0.7626(3) 0.13764(12) 0.0298(6) Uani 1 1 d . . .
H10A H -0.2209 0.7174 0.1239 0.045 Uiso 1 1 calc R . .
H10B H -0.0809 0.7411 0.1078 0.045 Uiso 1 1 calc R . .
H10C H -0.1192 0.8532 0.1464 0.045 Uiso 1 1 calc R . .
C41 C 0.2287(3) 0.7070(3) 0.50698(12) 0.0386(7) Uani 1 1 d . . .
H41A H 0.2623 0.6393 0.4999 0.046 Uiso 1 1 calc R . .
C11 C -0.1715(2) 0.7631(3) 0.23672(12) 0.0284(6) Uani 1 1 d . . .
H11A H -0.1772 0.7092 0.2644 0.034 Uiso 1 1 calc R . .
H11B H -0.2573 0.7513 0.2198 0.034 Uiso 1 1 calc R . .
C9 C -0.1208(2) 0.5889(2) 0.17456(11) 0.0267(5) Uani 1 1 d . . .
H9A H -0.0714 0.5698 0.1428 0.032 Uiso 1 1 calc R . .
H9B H -0.2102 0.5482 0.1595 0.032 Uiso 1 1 calc R . .
C34 C 0.3068(3) 0.5500(3) -0.02759(14) 0.0428(8) Uani 1 1 d . . .
H34A H 0.3334 0.4946 -0.0559 0.051 Uiso 1 1 calc R . .
C21 C 0.6056(2) 0.9875(3) 0.35393(14) 0.0330(6) Uani 1 1 d . . .
H21A H 0.6599 1.0648 0.3460 0.049 Uiso 1 1 calc R . .
H21B H 0.6378 0.9179 0.3391 0.049 Uiso 1 1 calc R . .
H21C H 0.6038 0.9984 0.3956 0.049 Uiso 1 1 calc R . .
C62 C 0.5801(3) 0.7792(3) 0.07989(13) 0.0341(6) Uani 1 1 d . . .
H62A H 0.5334 0.6961 0.0600 0.041 Uiso 1 1 calc R . .
C25 C 0.0643(3) 1.2096(3) 0.04416(13) 0.0398(7) Uani 1 1 d . . .
H25A H 0.0584 1.2141 0.0050 0.048 Uiso 1 1 calc R . .
C22 C 0.0811(3) 1.1938(3) 0.15740(13) 0.0406(7) Uani 1 1 d . . .
H22A H 0.0862 1.1892 0.1966 0.049 Uiso 1 1 calc R . .
C63 C 0.6584(3) 0.8582(3) 0.05111(14) 0.0436(8) Uani 1 1 d . . .
H63A H 0.6643 0.8293 0.0114 0.052 Uiso 1 1 calc R . .
C37 C 0.2054(3) 0.8937(3) 0.48389(13) 0.0403(7) Uani 1 1 d . . .
H37A H 0.2209 0.9526 0.4604 0.048 Uiso 1 1 calc R . .
C24 C 0.0409(3) 1.3002(3) 0.08601(14) 0.0389(7) Uani 1 1 d . . .
H24A H 0.0183 1.3671 0.0759 0.047 Uiso 1 1 calc R . .
C26 C 0.0965(3) 1.1113(3) 0.05941(13) 0.0347(6) Uani 1 1 d . . .
H26A H 0.1137 1.0501 0.0303 0.042 Uiso 1 1 calc R . .
C17 C 0.4632(3) 1.3759(3) 0.43335(13) 0.0398(7) Uani 1 1 d . . .
H17A H 0.3996 1.4185 0.4392 0.060 Uiso 1 1 calc R . .
H17B H 0.5302 1.4237 0.4148 0.060 Uiso 1 1 calc R . .
H17C H 0.4978 1.3700 0.4706 0.060 Uiso 1 1 calc R . .
C52 C 0.4093(3) 0.3387(3) 0.22573(15) 0.0389(7) Uani 1 1 d . . .
H52A H 0.3957 0.3825 0.2620 0.047 Uiso 1 1 calc R . .
C50 C 0.7906(3) 0.6004(3) 0.37708(14) 0.0355(6) Uani 1 1 d . . .
H50A H 0.8217 0.5498 0.3486 0.043 Uiso 1 1 calc R . .
C33 C 0.3011(4) 0.6623(4) -0.03715(14) 0.0492(9) Uani 1 1 d . . .
H33A H 0.3220 0.6837 -0.0725 0.059 Uiso 1 1 calc R . .
C65 C 0.7175(3) 1.0230(3) 0.13764(16) 0.0436(8) Uani 1 1 d . . .
H65A H 0.7651 1.1059 0.1576 0.052 Uiso 1 1 calc R . .
C49 C 0.8564(3) 0.6508(3) 0.43177(15) 0.0424(8) Uani 1 1 d . . .
H49A H 0.9323 0.6351 0.4409 0.051 Uiso 1 1 calc R . .
C56 C 0.4419(3) 0.3313(3) 0.12748(14) 0.0396(7) Uani 1 1 d . . .
H56A H 0.4516 0.3697 0.0958 0.047 Uiso 1 1 calc R . .
C35 C 0.2742(3) 0.5183(3) 0.02275(14) 0.0407(7) Uani 1 1 d . . .
H35A H 0.2774 0.4403 0.0292 0.049 Uiso 1 1 calc R . .
C23 C 0.0509(4) 1.2925(3) 0.14286(15) 0.0468(8) Uani 1 1 d . . .
H23A H 0.0369 1.3556 0.1721 0.056 Uiso 1 1 calc R . .
C38 C 0.1340(3) 0.9069(4) 0.52959(15) 0.0537(10) Uani 1 1 d . . .
H38A H 0.1026 0.9762 0.5379 0.064 Uiso 1 1 calc R . .
C47 C 0.6989(3) 0.7468(3) 0.45992(13) 0.0352(7) Uani 1 1 d . . .
H47A H 0.6680 0.7973 0.4886 0.042 Uiso 1 1 calc R . .
C54 C 0.4367(3) 0.1534(3) 0.16694(18) 0.0474(9) Uani 1 1 d . . .
H54A H 0.4419 0.0710 0.1626 0.057 Uiso 1 1 calc R . .
C40 C 0.1547(3) 0.7188(4) 0.55147(14) 0.0517(10) Uani 1 1 d . . .
H40A H 0.1359 0.6580 0.5739 0.062 Uiso 1 1 calc R . .
C66 C 0.6366(3) 0.9446(3) 0.16631(14) 0.0351(6) Uani 1 1 d . . .
H66A H 0.6271 0.9755 0.2054 0.042 Uiso 1 1 calc R . .
C64 C 0.7285(3) 0.9802(3) 0.08034(15) 0.0445(8) Uani 1 1 d . . .
H64A H 0.7835 1.0335 0.0608 0.053 Uiso 1 1 calc R . .
C1 C -0.2522(3) 0.2448(3) 0.28076(15) 0.0432(8) Uani 1 1 d . . .
H1A H -0.2841 0.2711 0.3171 0.065 Uiso 1 1 calc R . .
H1B H -0.2154 0.1785 0.2835 0.065 Uiso 1 1 calc R . .
H1C H -0.3209 0.2128 0.2493 0.065 Uiso 1 1 calc R . .
C39 C 0.1091(3) 0.8188(4) 0.56268(15) 0.0618(12) Uani 1 1 d . . .
H39A H 0.0598 0.8277 0.5935 0.074 Uiso 1 1 calc R . .
C32 C 0.2648(3) 0.7442(3) 0.00451(13) 0.0408(7) Uani 1 1 d . . .
H32A H 0.2619 0.8219 -0.0023 0.049 Uiso 1 1 calc R . .
C55 C 0.4486(3) 0.2095(3) 0.12101(17) 0.0485(9) Uani 1 1 d . . .
H55A H 0.4614 0.1651 0.0848 0.058 Uiso 1 1 calc R . .
C48 C 0.8099(3) 0.7242(4) 0.47270(14) 0.0469(8) Uani 1 1 d . . .
H48A H 0.8546 0.7596 0.5101 0.056 Uiso 1 1 calc R . .
C53 C 0.4169(3) 0.2189(3) 0.21948(17) 0.0472(8) Uani 1 1 d . . .
H53A H 0.4086 0.1810 0.2514 0.057 Uiso 1 1 calc R . .
C67 C 0.0202(2) 0.8652(3) 0.34218(11) 0.0265(5) Uani 1 1 d . . .
H67A H -0.0165 0.9094 0.3727 0.040 Uiso 1 1 calc R . .
H67B H 0.1063 0.8739 0.3561 0.040 Uiso 1 1 calc R . .
H67C H -0.0292 0.7762 0.3313 0.040 Uiso 1 1 calc R . .


_geom_special_details            
; 
 All esds (except the esd in the dihedral angle between two l.s. planes) 
 are estimated using the full covariance matrix.  The cell esds are taken 
 into account individually in the estimation of esds in distances, angles 
 and torsion angles; correlations between esds in cell parameters are only 
 used when they are defined by crystal symmetry.  An approximate (isotropic) 
 treatment of cell esds is used for estimating esds involving l.s. planes. 
;

loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_site_symmetry_2
_geom_bond_publ_flag
Y1 O9 2.2662(18) . ?
Y1 O13 2.2693(17) . ?
Y1 O5 2.2747(17) . ?
Y1 O10 2.2865(18) . ?
Y1 O11 2.2868(18) . ?
Y1 O12 2.3249(18) . ?
Y1 O14 2.5989(18) . ?
Y1 O6 2.6256(18) . ?
Y1 Co2 3.4383(5) . ?
Co2 O8 2.0223(18) . ?
Co2 O5 2.0422(17) . ?
Co2 O7 2.0511(18) . ?
Co2 O13 2.1303(17) . ?
Co2 N4 2.184(2) . ?
Co2 N3 2.199(2) . ?
O5 C20 1.344(3) . ?
O14 C4 1.383(3) . ?
O14 C5 1.422(3) . ?
O10 C58 1.266(3) . ?
O11 C45 1.274(3) . ?
O7 C28 1.272(3) . ?
O6 C19 1.390(3) . ?
O6 C21 1.427(3) . ?
O13 C6 1.335(3) . ?
O8 C30 1.266(3) . ?
O9 C60 1.269(3) . ?
O12 C43 1.268(3) . ?
C4 C3 1.382(3) . ?
C4 C6 1.411(3) . ?
N3 C67 1.473(3) . ?
N3 C13 1.479(3) . ?
N3 C12 1.480(3) . ?
C14 C20 1.396(3) . ?
C14 C15 1.407(3) . ?
C14 C13 1.512(3) . ?
C6 C7 1.397(3) . ?
C20 C19 1.414(3) . ?
C16 C15 1.384(4) . ?
C16 C18 1.394(4) . ?
C16 C17 1.516(4) . ?
N4 C9 1.483(3) . ?
N4 C10 1.484(3) . ?
N4 C11 1.487(3) . ?
C19 C18 1.376(4) . ?
C28 C29 1.403(4) . ?
C28 C27 1.505(4) . ?
C61 C66 1.392(4) . ?
C61 C62 1.399(4) . ?
C61 C60 1.497(4) . ?
C30 C29 1.411(4) . ?
C30 C31 1.506(3) . ?
C8 C2 1.393(4) . ?
C8 C7 1.403(4) . ?
C46 C51 1.390(4) . ?
C46 C47 1.396(4) . ?
C46 C45 1.502(3) . ?
C60 C59 1.409(4) . ?
C43 C44 1.411(4) . ?
C43 C42 1.494(4) . ?
C12 C11 1.519(4) . ?
C27 C26 1.382(4) . ?
C27 C22 1.390(4) . ?
C3 C2 1.398(4) . ?
C44 C45 1.396(4) . ?
C7 C9 1.505(3) . ?
C42 C37 1.392(4) . ?
C42 C41 1.393(4) . ?
C51 C50 1.386(4) . ?
C58 C59 1.398(4) . ?
C58 C57 1.497(4) . ?
C36 C35 1.386(4) . ?
C36 C31 1.389(4) . ?
C2 C1 1.512(4) . ?
C31 C32 1.389(4) . ?
C57 C56 1.383(4) . ?
C57 C52 1.386(4) . ?
C41 C40 1.393(4) . ?
C34 C35 1.367(5) . ?
C34 C33 1.375(5) . ?
C62 C63 1.387(4) . ?
C25 C24 1.380(4) . ?
C25 C26 1.393(4) . ?
C22 C23 1.380(4) . ?
C63 C64 1.398(5) . ?
C37 C38 1.398(4) . ?
C24 C23 1.383(4) . ?
C52 C53 1.381(4) . ?
C50 C49 1.390(4) . ?
C33 C32 1.384(4) . ?
C65 C64 1.380(5) . ?
C65 C66 1.396(4) . ?
C49 C48 1.381(5) . ?
C56 C55 1.399(4) . ?
C38 C39 1.386(6) . ?
C47 C48 1.385(4) . ?
C54 C55 1.379(5) . ?
C54 C53 1.386(5) . ?
C40 C39 1.374(6) . ?

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
O9 Y1 O13 110.43(7) . . ?
O9 Y1 O5 84.67(6) . . ?
O13 Y1 O5 69.33(6) . . ?
O9 Y1 O10 73.96(6) . . ?
O13 Y1 O10 89.26(6) . . ?
O5 Y1 O10 142.32(6) . . ?
O9 Y1 O11 94.49(7) . . ?
O13 Y1 O11 147.39(6) . . ?
O5 Y1 O11 135.97(6) . . ?
O10 Y1 O11 77.46(7) . . ?
O9 Y1 O12 143.99(7) . . ?
O13 Y1 O12 94.84(6) . . ?
O5 Y1 O12 80.69(6) . . ?
O10 Y1 O12 133.45(7) . . ?
O11 Y1 O12 74.51(6) . . ?
O9 Y1 O14 144.20(6) . . ?
O13 Y1 O14 63.65(6) . . ?
O5 Y1 O14 120.79(6) . . ?
O10 Y1 O14 70.76(6) . . ?
O11 Y1 O14 83.80(6) . . ?
O12 Y1 O14 69.90(6) . . ?
O9 Y1 O6 71.94(6) . . ?
O13 Y1 O6 131.53(6) . . ?
O5 Y1 O6 62.62(6) . . ?
O10 Y1 O6 133.88(6) . . ?
O11 Y1 O6 75.26(6) . . ?
O12 Y1 O6 72.10(6) . . ?
O14 Y1 O6 140.27(6) . . ?
O9 Y1 Co2 88.77(5) . . ?
O13 Y1 Co2 37.18(4) . . ?
O5 Y1 Co2 34.92(4) . . ?
O10 Y1 Co2 112.52(5) . . ?
O11 Y1 Co2 170.02(5) . . ?
O12 Y1 Co2 97.38(4) . . ?
O14 Y1 Co2 99.04(4) . . ?
O6 Y1 Co2 96.89(4) . . ?
O8 Co2 O5 100.91(7) . . ?
O8 Co2 O7 87.60(7) . . ?
O5 Co2 O7 101.77(7) . . ?
O8 Co2 O13 82.63(7) . . ?
O5 Co2 O13 76.51(6) . . ?
O7 Co2 O13 169.52(7) . . ?
O8 Co2 N4 96.04(8) . . ?
O5 Co2 N4 155.84(8) . . ?
O7 Co2 N4 95.98(8) . . ?
O13 Co2 N4 88.84(7) . . ?
O8 Co2 N3 174.50(8) . . ?
O5 Co2 N3 82.76(7) . . ?
O7 Co2 N3 87.63(7) . . ?
O13 Co2 N3 102.30(7) . . ?
N4 Co2 N3 81.73(8) . . ?
O8 Co2 Y1 80.60(5) . . ?
O5 Co2 Y1 39.62(5) . . ?
O7 Co2 Y1 134.34(5) . . ?
O13 Co2 Y1 40.07(4) . . ?
N4 Co2 Y1 128.91(6) . . ?
N3 Co2 Y1 104.73(5) . . ?
C20 O5 Co2 128.34(15) . . ?
C20 O5 Y1 122.99(14) . . ?
Co2 O5 Y1 105.46(7) . . ?
C4 O14 C5 116.1(2) . . ?
C4 O14 Y1 116.63(14) . . ?
C5 O14 Y1 125.14(15) . . ?
C58 O10 Y1 136.23(17) . . ?
C45 O11 Y1 136.58(17) . . ?
C28 O7 Co2 128.02(17) . . ?
C19 O6 C21 116.7(2) . . ?
C19 O6 Y1 112.87(14) . . ?
C21 O6 Y1 125.82(15) . . ?
C6 O13 Co2 127.32(15) . . ?
C6 O13 Y1 128.27(15) . . ?
Co2 O13 Y1 102.75(7) . . ?
C30 O8 Co2 129.52(17) . . ?
C60 O9 Y1 136.61(17) . . ?
C43 O12 Y1 132.95(17) . . ?
C3 C4 O14 125.0(2) . . ?
C3 C4 C6 121.8(2) . . ?
O14 C4 C6 113.1(2) . . ?
C67 N3 C13 110.36(19) . . ?
C67 N3 C12 110.1(2) . . ?
C13 N3 C12 109.76(19) . . ?
C67 N3 Co2 113.88(15) . . ?
C13 N3 Co2 108.72(15) . . ?
C12 N3 Co2 103.79(15) . . ?
C20 C14 C15 118.4(2) . . ?
C20 C14 C13 123.3(2) . . ?
C15 C14 C13 118.2(2) . . ?
O13 C6 C7 123.9(2) . . ?
O13 C6 C4 118.0(2) . . ?
C7 C6 C4 118.1(2) . . ?
O5 C20 C14 124.6(2) . . ?
O5 C20 C19 117.3(2) . . ?
C14 C20 C19 118.1(2) . . ?
C15 C16 C18 118.1(2) . . ?
C15 C16 C17 121.2(3) . . ?
C18 C16 C17 120.6(3) . . ?
C9 N4 C10 106.71(19) . . ?
C9 N4 C11 111.7(2) . . ?
C10 N4 C11 109.8(2) . . ?
C9 N4 Co2 112.39(15) . . ?
C10 N4 Co2 107.77(16) . . ?
C11 N4 Co2 108.35(15) . . ?
C16 C15 C14 122.9(3) . . ?
C18 C19 O6 125.5(2) . . ?
C18 C19 C20 122.1(2) . . ?
O6 C19 C20 112.4(2) . . ?
O7 C28 C29 124.9(2) . . ?
O7 C28 C27 115.7(2) . . ?
C29 C28 C27 119.4(2) . . ?
C66 C61 C62 119.1(3) . . ?
C66 C61 C60 118.3(2) . . ?
C62 C61 C60 122.6(3) . . ?
O8 C30 C29 124.5(2) . . ?
O8 C30 C31 115.3(2) . . ?
C29 C30 C31 120.1(2) . . ?
C2 C8 C7 121.8(2) . . ?
C51 C46 C47 118.9(2) . . ?
C51 C46 C45 119.4(2) . . ?
C47 C46 C45 121.8(2) . . ?
O9 C60 C59 124.5(2) . . ?
O9 C60 C61 115.9(2) . . ?
C59 C60 C61 119.3(2) . . ?
C19 C18 C16 119.9(3) . . ?
O12 C43 C44 125.5(2) . . ?
O12 C43 C42 116.6(2) . . ?
C44 C43 C42 117.8(2) . . ?
N3 C12 C11 110.5(2) . . ?
C26 C27 C22 117.7(3) . . ?
C26 C27 C28 122.9(2) . . ?
C22 C27 C28 119.4(2) . . ?
N3 C13 C14 114.7(2) . . ?
C4 C3 C2 120.1(2) . . ?
C45 C44 C43 123.7(2) . . ?
C6 C7 C8 119.6(2) . . ?
C6 C7 C9 120.7(2) . . ?
C8 C7 C9 119.3(2) . . ?
C37 C42 C41 119.5(3) . . ?
C37 C42 C43 120.0(3) . . ?
C41 C42 C43 120.4(3) . . ?
C50 C51 C46 120.4(3) . . ?
O11 C45 C44 124.1(2) . . ?
O11 C45 C46 116.2(2) . . ?
C44 C45 C46 119.6(2) . . ?
O10 C58 C59 123.8(2) . . ?
O10 C58 C57 115.9(2) . . ?
C59 C58 C57 120.2(2) . . ?
C35 C36 C31 120.5(3) . . ?
C58 C59 C60 123.2(2) . . ?
C8 C2 C3 118.5(2) . . ?
C8 C2 C1 121.5(3) . . ?
C3 C2 C1 120.0(3) . . ?
C36 C31 C32 118.2(3) . . ?
C36 C31 C30 118.1(2) . . ?
C32 C31 C30 123.6(3) . . ?
C56 C57 C52 118.9(3) . . ?
C56 C57 C58 122.9(3) . . ?
C52 C57 C58 118.2(3) . . ?
C28 C29 C30 125.0(2) . . ?
C42 C41 C40 120.5(3) . . ?
N4 C11 C12 109.6(2) . . ?
N4 C9 C7 116.6(2) . . ?
C35 C34 C33 119.8(3) . . ?
C63 C62 C61 120.3(3) . . ?
C24 C25 C26 119.9(3) . . ?
C23 C22 C27 121.3(3) . . ?
C62 C63 C64 120.2(3) . . ?
C42 C37 C38 119.8(4) . . ?
C25 C24 C23 119.2(3) . . ?
C27 C26 C25 121.4(3) . . ?
C53 C52 C57 120.8(3) . . ?
C51 C50 C49 120.6(3) . . ?
C34 C33 C32 120.2(3) . . ?
C64 C65 C66 120.1(3) . . ?
C48 C49 C50 119.0(3) . . ?
C57 C56 C55 120.2(3) . . ?
C34 C35 C36 120.5(3) . . ?
C22 C23 C24 120.4(3) . . ?
C39 C38 C37 119.8(4) . . ?
C48 C47 C46 120.3(3) . . ?
C55 C54 C53 119.2(3) . . ?
C39 C40 C41 119.6(4) . . ?
C61 C66 C65 120.5(3) . . ?
C65 C64 C63 119.8(3) . . ?
C40 C39 C38 120.8(3) . . ?
C33 C32 C31 120.7(3) . . ?
C54 C55 C56 120.4(3) . . ?
C49 C48 C47 120.9(3) . . ?
C52 C53 C54 120.4(3) . . ?

_diffrn_measured_fraction_theta_max 0.977
_diffrn_reflns_theta_full        29.13
_diffrn_measured_fraction_theta_full 0.977
_refine_diff_density_max         0.508
_refine_diff_density_min         -1.115
_refine_diff_density_rms         0.140
_database_code_depnum_ccdc_archive 'CCDC 990985'
#######################################################################
#
#                 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_3

_audit_creation_method           SHELXL-2013
_chemical_name_systematic        
;
 ?
;
_chemical_name_common            ?
_chemical_melting_point          ?
_chemical_formula_moiety         ?
_chemical_formula_sum            'C74 H73.50 Co Dy N5.50 O10'
_chemical_formula_weight         1421.31

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'

_space_group_crystal_system      triclinic
_space_group_IT_number           2
_space_group_name_H-M_alt        'P -1'
_space_group_name_Hall           '-P 1'

_shelx_space_group_comment       
;
The symmetry employed for this shelxl refinement is uniquely defined
by the following loop, which should always be used as a source of
symmetry information in preference to the above space-group names.
They are only intended as comments.
;

loop_
_space_group_symop_operation_xyz
'x, y, z'
'-x, -y, -z'

_cell_length_a                   13.2896(14)
_cell_length_b                   15.4553(18)
_cell_length_c                   17.974(2)
_cell_angle_alpha                88.507(5)
_cell_angle_beta                 73.305(3)
_cell_angle_gamma                69.809(3)
_cell_volume                     3307.9(7)
_cell_formula_units_Z            2
_cell_measurement_temperature    143(2)
_cell_measurement_reflns_used    13025
_cell_measurement_theta_min      2.3529
_cell_measurement_theta_max      31.5022

_exptl_crystal_description       Block
_exptl_crystal_colour            Red
_exptl_crystal_density_meas      ?
_exptl_crystal_density_method    ?
_exptl_crystal_density_diffrn    1.427
_exptl_crystal_F_000             1458
_exptl_transmission_factor_min   ?
_exptl_transmission_factor_max   ?
_exptl_crystal_size_max          0.500
_exptl_crystal_size_mid          0.350
_exptl_crystal_size_min          0.350
_exptl_absorpt_coefficient_mu    1.434
_shelx_estimated_absorpt_T_min   0.534
_shelx_estimated_absorpt_T_max   0.634
_exptl_absorpt_correction_type   Multi-scan
_exptl_absorpt_correction_T_min  0.8682
_exptl_absorpt_correction_T_max  1.0000
_exptl_absorpt_process_details   ?

_exptl_special_details           
;
 Higashi, T. (1995). Program for Absorption Correction.
 Rigaku Corporation, Tokyo, Japan 
;

_diffrn_ambient_temperature      143(2)
_diffrn_radiation_wavelength     0.71075
_diffrn_radiation_type           MoK\a
_diffrn_source                   'Rotating Anode'
_diffrn_measurement_device_type  'Saturn724+ (2x2 bin mode)'
_diffrn_measurement_method       dtprofit.ref
_diffrn_detector_area_resol_mean 28.5714
_diffrn_reflns_number            36399
_diffrn_reflns_av_unetI/netI     0.0397
_diffrn_reflns_av_R_equivalents  0.0306
_diffrn_reflns_limit_h_min       -16
_diffrn_reflns_limit_h_max       16
_diffrn_reflns_limit_k_min       -19
_diffrn_reflns_limit_k_max       18
_diffrn_reflns_limit_l_min       -22
_diffrn_reflns_limit_l_max       22
_diffrn_reflns_theta_min         2.353
_diffrn_reflns_theta_max         27.000
_diffrn_reflns_theta_full        25.000
_diffrn_measured_fraction_theta_max 0.995
_diffrn_measured_fraction_theta_full 0.996
_diffrn_reflns_Laue_measured_fraction_max 0.995
_diffrn_reflns_Laue_measured_fraction_full 0.996
_diffrn_reflns_point_group_measured_fraction_max 0.995
_diffrn_reflns_point_group_measured_fraction_full 0.996
_reflns_number_total             14360
_reflns_number_gt                13858
_reflns_threshold_expression     'I > 2σ(I)'
_reflns_Friedel_coverage         0.000
_reflns_Friedel_fraction_max     .
_reflns_Friedel_fraction_full    .

_reflns_special_details          
;
 Reflections were merged by SHELXL according to the crystal
 class for the calculation of statistics and refinement.
 
 _reflns_Friedel_fraction is defined as the number of unique
 Friedel pairs measured divided by the number that would be
 possible theoretically, ignoring centric projections and
 systematic absences.
;

_computing_data_collection       'CrystalClear (Rigaku Inc., 2008)'
_computing_cell_refinement       'CrystalClear (Rigaku Inc., 2008)'
_computing_data_reduction        'CrystalClear (Rigaku Inc., 2008)'
_computing_structure_refinement  'SHELXL-2013 (Sheldrick, 2013)'
_computing_molecular_graphics    ?
_computing_publication_material  ?

_refine_special_details          
;
 ?
;
_refine_ls_structure_factor_coef Fsqd
_refine_ls_matrix_type           full
_refine_ls_weighting_scheme      calc
_refine_ls_weighting_details     
;
 w=1/[σ²(Fo²)+(0.0302P)²+2.6548P]
 where P=(Fo²+2Fc²)/3
;
_atom_sites_solution_primary     ?
_atom_sites_solution_secondary   ?
_atom_sites_solution_hydrogens   geom
_refine_ls_hydrogen_treatment    constr
_refine_ls_extinction_method     none
_refine_ls_extinction_coef       .
_refine_ls_number_reflns         14360
_refine_ls_number_parameters     864
_refine_ls_number_restraints     18
_refine_ls_R_factor_all          0.0356
_refine_ls_R_factor_gt           0.0340
_refine_ls_wR_factor_ref         0.0796
_refine_ls_wR_factor_gt          0.0785
_refine_ls_goodness_of_fit_ref   1.098
_refine_ls_restrained_S_all      1.107
_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_site_symmetry_order
_atom_site_calc_flag
_atom_site_refinement_flags_posn
_atom_site_refinement_flags_adp
_atom_site_refinement_flags_occupancy
_atom_site_disorder_assembly
_atom_site_disorder_group
Dy1 Dy 0.14976(2) 0.09713(2) 0.22560(2) 0.02162(4) Uani 1 1 d . . . . .
Co2 Co 0.11029(3) 0.20979(2) 0.39983(2) 0.02250(8) Uani 1 1 d . . . . .
O5 O 0.23686(15) 0.12185(12) 0.31219(10) 0.0219(4) Uani 1 1 d . . . . .
O6 O 0.37369(16) 0.03753(13) 0.18349(11) 0.0278(4) Uani 1 1 d . . . . .
O7 O 0.19895(17) 0.27106(13) 0.44191(11) 0.0274(4) Uani 1 1 d . . . . .
O8 O 0.07115(17) 0.32160(13) 0.33528(11) 0.0276(4) Uani 1 1 d . . . . .
O9 O 0.21639(16) 0.18530(14) 0.13388(11) 0.0294(4) Uani 1 1 d . . . . .
O10 O -0.00286(16) 0.20086(14) 0.19748(12) 0.0317(4) Uani 1 1 d . . . . .
O11 O 0.18702(16) 0.00944(13) 0.11288(11) 0.0282(4) Uani 1 1 d . . . . .
O12 O 0.21519(16) -0.05438(12) 0.25467(10) 0.0249(4) Uani 1 1 d . . . . .
O13 O 0.02549(15) 0.15226(13) 0.34638(10) 0.0241(4) Uani 1 1 d . . . . .
O14 O -0.01965(16) 0.03826(13) 0.27028(11) 0.0272(4) Uani 1 1 d . . . . .
N3 N 0.1578(2) 0.09609(15) 0.47240(13) 0.0261(5) Uani 1 1 d . . . . .
N4 N -0.0423(2) 0.26078(16) 0.49693(13) 0.0287(5) Uani 1 1 d . . . . .
N5 N 0.3823(4) 0.4081(3) 0.1868(3) 0.0939(15) Uani 1 1 d . . . . .
C15 C -0.0419(3) -0.0241(2) 0.22527(18) 0.0362(7) Uani 1 1 d . . . . .
H15A H -0.0909 0.0112 0.1950 0.043 Uiso 1 1 calc R U . . .
H15B H -0.0791 -0.0610 0.2602 0.043 Uiso 1 1 calc R U . . .
H15C H 0.0289 -0.0653 0.1898 0.043 Uiso 1 1 calc R U . . .
C16 C -0.1106(2) 0.09683(18) 0.32790(15) 0.0245(5) Uani 1 1 d . . . . .
C17 C -0.2193(2) 0.09910(19) 0.34434(16) 0.0276(6) Uani 1 1 d . . . . .
H17 H -0.2363 0.0577 0.3160 0.033 Uiso 1 1 calc R U . . .
C18 C -0.3052(2) 0.1628(2) 0.40328(16) 0.0301(6) Uani 1 1 d . . . . .
C19 C -0.2760(2) 0.2199(2) 0.44422(16) 0.0311(6) Uani 1 1 d . . . . .
H19 H -0.3332 0.2621 0.4849 0.037 Uiso 1 1 calc R U . . .
C20 C -0.1660(2) 0.21834(19) 0.42850(16) 0.0271(6) Uani 1 1 d . . . . .
C21 C -0.0810(2) 0.15699(18) 0.36837(15) 0.0246(5) Uani 1 1 d . . . . .
C22 C -0.4256(3) 0.1688(3) 0.4191(2) 0.0430(8) Uani 1 1 d . . . . .
H22A H -0.4710 0.2306 0.4095 0.052 Uiso 1 1 calc R U . . .
H22B H -0.4550 0.1573 0.4736 0.052 Uiso 1 1 calc R U . . .
H22C H -0.4287 0.1223 0.3847 0.052 Uiso 1 1 calc R U . . .
C23 C -0.1451(2) 0.2907(2) 0.47070(17) 0.0325(6) Uani 1 1 d . . . . .
H23A H -0.1417 0.3411 0.4360 0.039 Uiso 1 1 calc R U . . .
H23B H -0.2109 0.3173 0.5171 0.039 Uiso 1 1 calc R U . . .
C24 C -0.0454(3) 0.3435(2) 0.53908(18) 0.0376(7) Uani 1 1 d . . . . .
H24A H -0.1149 0.3660 0.5825 0.056 Uiso 1 1 calc R U . . .
H24B H -0.0428 0.3921 0.5033 0.056 Uiso 1 1 calc R U . . .
H24C H 0.0192 0.3269 0.5593 0.056 Uiso 1 1 calc R U . . .
C25 C -0.0371(3) 0.1846(2) 0.54917(16) 0.0330(6) Uani 1 1 d . . . . .
H25A H -0.0647 0.1401 0.5304 0.040 Uiso 1 1 calc R U . . .
H25B H -0.0864 0.2100 0.6024 0.040 Uiso 1 1 calc R U . . .
C26 C 0.0824(3) 0.1350(2) 0.55163(16) 0.0330(6) Uani 1 1 d . . . . .
H26A H 0.1090 0.1789 0.5724 0.040 Uiso 1 1 calc R U . . .
H26B H 0.0840 0.0845 0.5868 0.040 Uiso 1 1 calc R U . . .
C27 C 0.1413(3) 0.01066(19) 0.45122(16) 0.0295(6) Uani 1 1 d . . . . .
H27A H 0.1648 -0.0367 0.4862 0.044 Uiso 1 1 calc R U . . .
H27B H 0.1866 -0.0121 0.3973 0.044 Uiso 1 1 calc R U . . .
H27C H 0.0619 0.0245 0.4562 0.044 Uiso 1 1 calc R U . . .
C28 C 0.2771(2) 0.0736(2) 0.46819(16) 0.0282(6) Uani 1 1 d . . . . .
H28A H 0.2957 0.0279 0.5063 0.034 Uiso 1 1 calc R U . . .
H28B H 0.2872 0.1303 0.4837 0.034 Uiso 1 1 calc R U . . .
C29 C 0.3586(2) 0.03502(18) 0.38821(16) 0.0255(5) Uani 1 1 d . . . . .
C30 C 0.4651(3) -0.0295(2) 0.38397(18) 0.0315(6) Uani 1 1 d . . . . .
H30 H 0.4827 -0.0459 0.4312 0.038 Uiso 1 1 calc R U . . .
C31 C 0.5458(2) -0.0706(2) 0.31418(18) 0.0328(6) Uani 1 1 d . . . . .
C32 C 0.6606(3) -0.1385(3) 0.3120(2) 0.0500(9) Uani 1 1 d . . . . .
H32A H 0.7185 -0.1147 0.2824 0.060 Uiso 1 1 calc R U . . .
H32B H 0.6722 -0.1982 0.2870 0.060 Uiso 1 1 calc R U . . .
H32C H 0.6653 -0.1466 0.3653 0.060 Uiso 1 1 calc R U . . .
C33 C 0.5173(2) -0.04953(19) 0.24473(17) 0.0302(6) Uani 1 1 d . . . . .
H33 H 0.5694 -0.0787 0.1962 0.036 Uiso 1 1 calc R U . . .
C34 C 0.4138(2) 0.01336(18) 0.24741(15) 0.0246(5) Uani 1 1 d . . . . .
C35 C 0.3338(2) 0.06002(17) 0.31799(15) 0.0234(5) Uani 1 1 d . . . . .
C36 C 0.4484(3) -0.0004(2) 0.10802(17) 0.0364(7) Uani 1 1 d . . . . .
H36A H 0.4707 -0.0679 0.1051 0.044 Uiso 1 1 calc R U . . .
H36B H 0.5152 0.0167 0.0986 0.044 Uiso 1 1 calc R U . . .
H36C H 0.4106 0.0240 0.0685 0.044 Uiso 1 1 calc R U . . .
C37 C 0.4082(3) -0.2861(2) 0.34392(16) 0.0320(6) Uani 1 1 d . . . . .
H37 H 0.4500 -0.2819 0.3777 0.038 Uiso 1 1 calc R U . . .
C38 C 0.3569(2) -0.20854(19) 0.30994(15) 0.0266(6) Uani 1 1 d . . . . .
H38 H 0.3611 -0.1506 0.3218 0.032 Uiso 1 1 calc R U . . .
C39 C 0.3987(3) -0.3704(2) 0.32868(18) 0.0354(7) Uani 1 1 d . . . . .
H39 H 0.4334 -0.4233 0.3526 0.043 Uiso 1 1 calc R U . . .
C40 C 0.3392(3) -0.3775(2) 0.27885(18) 0.0342(7) Uani 1 1 d . . . . .
H40 H 0.3320 -0.4349 0.2692 0.041 Uiso 1 1 calc R U . . .
C41 C 0.2900(2) -0.30034(19) 0.24305(16) 0.0277(6) Uani 1 1 d . . . . .
H41 H 0.2502 -0.3053 0.2081 0.033 Uiso 1 1 calc R U . . .
C42 C 0.2987(2) -0.21557(18) 0.25812(14) 0.0233(5) Uani 1 1 d . . . . .
C43 C 0.2621(2) -0.14708(19) 0.13744(15) 0.0270(6) Uani 1 1 d . . . . .
H43A H 0.2885 -0.2091 0.1157 0.032 Uiso 1 1 calc R U . . .
C44 C 0.2533(2) -0.13241(18) 0.21667(15) 0.0238(5) Uani 1 1 d . . . . .
C45 C 0.2345(2) -0.07599(19) 0.08922(15) 0.0253(5) Uani 1 1 d . . . . .
C46 C 0.2635(2) -0.0988(2) 0.00300(15) 0.0276(6) Uani 1 1 d . . . . .
C47 C 0.2585(2) -0.0273(2) -0.04627(16) 0.0328(6) Uani 1 1 d . . . . .
H47 H 0.2388 0.0342 -0.0253 0.039 Uiso 1 1 calc R U . . .
C48 C 0.2823(3) -0.0457(3) -0.12615(18) 0.0415(8) Uani 1 1 d . . . . .
H48 H 0.2782 0.0033 -0.1595 0.050 Uiso 1 1 calc R U . . .
C49 C 0.3119(3) -0.1348(3) -0.15710(18) 0.0453(9) Uani 1 1 d . . . . .
H49 H 0.3279 -0.1469 -0.2116 0.054 Uiso 1 1 calc R U . . .
C50 C 0.3183(3) -0.2058(3) -0.10930(18) 0.0453(8) Uani 1 1 d . . . . .
H50 H 0.3392 -0.2671 -0.1309 0.054 Uiso 1 1 calc R U . . .
C51 C 0.2943(3) -0.1885(2) -0.02950(17) 0.0364(7) Uani 1 1 d . . . . .
H51 H 0.2990 -0.2382 0.0032 0.044 Uiso 1 1 calc R U . . .
C52 C 0.3671(3) 0.2460(2) 0.02390(18) 0.0370(7) Uani 1 1 d . . . . .
H52 H 0.3857 0.2244 0.0699 0.044 Uiso 1 1 calc R U . . .
C53 C 0.4452(3) 0.2661(3) -0.0361(2) 0.0465(8) Uani 1 1 d . . . . .
H53 H 0.5160 0.2604 -0.0303 0.056 Uiso 1 1 calc R U . . .
C54 C 0.4213(3) 0.2949(2) -0.1051(2) 0.0461(8) Uani 1 1 d . . . . .
H54 H 0.4750 0.3093 -0.1462 0.055 Uiso 1 1 calc R U . . .
C55 C 0.3191(3) 0.3022(3) -0.1130(2) 0.0501(9) Uani 1 1 d . . . . .
H55 H 0.3028 0.3199 -0.1604 0.060 Uiso 1 1 calc R U . . .
C56 C 0.2393(3) 0.2839(3) -0.0521(2) 0.0436(8) Uani 1 1 d . . . . .
H56 H 0.1685 0.2898 -0.0581 0.052 Uiso 1 1 calc R U . . .
C57 C 0.2618(2) 0.2568(2) 0.01783(17) 0.0307(6) Uani 1 1 d . . . . .
C58 C 0.1773(2) 0.2382(2) 0.08573(17) 0.0294(6) Uani 1 1 d . . . . .
C59 C 0.0632(2) 0.2823(2) 0.09396(18) 0.0352(7) Uani 1 1 d . . . . .
H59A H 0.0419 0.3259 0.0580 0.042 Uiso 1 1 calc R U . . .
C60 C -0.0215(2) 0.2650(2) 0.15305(17) 0.0308(6) Uani 1 1 d . . . . .
C61 C -0.1432(2) 0.3253(2) 0.16744(19) 0.0340(6) Uani 1 1 d . . . . .
C62 C -0.2203(3) 0.3224(2) 0.23794(19) 0.0364(7) Uani 1 1 d . . . . .
H62 H -0.1963 0.2813 0.2747 0.044 Uiso 1 1 calc R U . . .
C63 C -0.3317(3) 0.3794(3) 0.2546(2) 0.0471(9) Uani 1 1 d . . . . .
H63 H -0.3837 0.3781 0.3032 0.057 Uiso 1 1 calc R U . . .
C64 C -0.3676(3) 0.4379(3) 0.2008(2) 0.0531(10) Uani 1 1 d . . . . .
H64 H -0.4443 0.4763 0.2122 0.064 Uiso 1 1 calc R U . . .
C65 C -0.2924(3) 0.4406(3) 0.1305(3) 0.0611(11) Uani 1 1 d . . . . .
H65 H -0.3173 0.4814 0.0938 0.073 Uiso 1 1 calc R U . . .
C66 C -0.1798(3) 0.3840(3) 0.1129(2) 0.0513(9) Uani 1 1 d . . . . .
H66 H -0.1283 0.3854 0.0641 0.062 Uiso 1 1 calc R U . . .
C67 C 0.2644(2) 0.38242(18) 0.47754(17) 0.0265(6) Uani 1 1 d . . . . .
C68 C 0.2653(3) 0.3485(2) 0.54965(18) 0.0367(7) Uani 1 1 d . . . . .
H68 H 0.2316 0.3036 0.5670 0.044 Uiso 1 1 calc R U . . .
C69 C 0.3143(3) 0.3790(3) 0.5967(2) 0.0455(8) Uani 1 1 d . . . . .
H69 H 0.3129 0.3558 0.6463 0.055 Uiso 1 1 calc R U . . .
C70 C 0.3650(3) 0.4427(2) 0.5718(2) 0.0499(9) Uani 1 1 d . . . . .
H70 H 0.3988 0.4636 0.6040 0.060 Uiso 1 1 calc R U . . .
C71 C 0.3665(4) 0.4756(3) 0.5007(3) 0.0598(12) Uani 1 1 d . . . . .
H71 H 0.4013 0.5199 0.4835 0.072 Uiso 1 1 calc R U . . .
C72 C 0.3175(3) 0.4451(3) 0.4529(2) 0.0483(9) Uani 1 1 d . . . . .
H72 H 0.3207 0.4677 0.4029 0.058 Uiso 1 1 calc R U . . .
C73 C 0.2045(2) 0.35138(18) 0.43043(15) 0.0236(5) Uani 1 1 d . . . . .
C74 C 0.1558(2) 0.41236(19) 0.38137(16) 0.0271(6) Uani 1 1 d . . . . .
H74A H 0.1676 0.4697 0.3771 0.032 Uiso 1 1 calc R U . . .
C75 C 0.0906(2) 0.39613(18) 0.33761(15) 0.0248(5) Uani 1 1 d . . . . .
C76 C 0.0354(3) 0.47173(19) 0.29330(17) 0.0304(6) Uani 1 1 d . . . . .
C77 C 0.0601(3) 0.5526(2) 0.28120(19) 0.0405(7) Uani 1 1 d . . . . .
H77 H 0.1171 0.5599 0.2998 0.049 Uiso 1 1 calc R U . . .
C78 C 0.0032(3) 0.6228(2) 0.2425(2) 0.0498(9) Uani 1 1 d . . . . .
H78 H 0.0208 0.6775 0.2350 0.060 Uiso 1 1 calc R U . . .
C79 C -0.0492(3) 0.4642(2) 0.2664(2) 0.0388(7) Uani 1 1 d . . . . .
H79 H -0.0696 0.4108 0.2754 0.047 Uiso 1 1 calc R U . . .
C80 C -0.1046(3) 0.5334(3) 0.2265(2) 0.0501(9) Uani 1 1 d . . . . .
H80 H -0.1606 0.5259 0.2070 0.060 Uiso 1 1 calc R U . . .
C81 C -0.0797(3) 0.6123(3) 0.2149(2) 0.0530(10) Uani 1 1 d . . . . .
H81 H -0.1188 0.6598 0.1881 0.064 Uiso 1 1 calc R U . . .
C82 C 0.3813(3) 0.2504(3) 0.2383(2) 0.0546(10) Uani 1 1 d . . . . .
H82A H 0.3166 0.2389 0.2309 0.066 Uiso 1 1 calc R U . . .
H82B H 0.3760 0.2508 0.2938 0.066 Uiso 1 1 calc R U . . .
H82C H 0.4506 0.2014 0.2089 0.066 Uiso 1 1 calc R U . . .
C83 C 0.3822(3) 0.3386(3) 0.2106(3) 0.0580(11) Uani 1 1 d . . . . .
N6 N -0.0660(8) -0.1861(4) 0.1186(5) 0.170(4) Uani 1 1 d . . . . .
C85 C -0.0271(6) -0.1599(4) 0.0607(5) 0.098(2) Uani 1 1 d . U . . .
C86 C 0.0164(5) -0.1235(5) -0.0116(4) 0.117(3) Uani 1 1 d . . . . .
H86A H -0.0402 -0.1049 -0.0396 0.175 Uiso 1 1 calc R U . . .
H86B H 0.0845 -0.1712 -0.0438 0.175 Uiso 1 1 calc R U . . .
H86C H 0.0341 -0.0696 -0.0003 0.175 Uiso 1 1 calc R U . . .
N7 N 0.2186(10) 0.6412(6) 0.0786(4) 0.087(3) Uani 0.5 1 d D . P . .
C87 C 0.1966(10) 0.4826(7) 0.0778(6) 0.044(2) Uani 0.5 1 d D . P . .
C88 C 0.2048(8) 0.5720(5) 0.0786(4) 0.055(2) Uani 0.5 1 d D . P . .
N8 N 0.3635(18) 0.5945(13) 0.0666(8) 0.148(8) Uani 0.5 1 d . . P . .
C91 C 0.426(3) 0.5462(15) 0.0339(18) 0.159(16) Uani 0.5 1 d . . P . .
C92 C 0.517(2) 0.466(3) 0.000(3) 0.212(19) Uani 0.5 1 d . . P . .
N9 N 0.1616(11) 0.4867(11) 0.0696(10) 0.108(5) Uani 0.5 1 d D . P . .
C89 C 0.0836(8) 0.4999(7) 0.0408(6) 0.074(3) Uani 0.5 1 d D . P . .
C90 C 0.0000 0.5000 0.0000 0.101(3) Uani 1 2 d DS U P . .


_geom_special_details            
;
 All esds (except the esd in the dihedral angle between two l.s. planes)
 are estimated using the full covariance matrix.  The cell esds are taken
 into account individually in the estimation of esds in distances, angles
 and torsion angles; correlations between esds in cell parameters are only
 used when they are defined by crystal symmetry.  An approximate (isotropic)
 treatment of cell esds is used for estimating esds involving l.s. planes.
;

loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_site_symmetry_2
_geom_bond_publ_flag
Dy1 O13 2.2872(17) . ?
Dy1 O9 2.2882(19) . ?
Dy1 O10 2.2895(19) . ?
Dy1 O5 2.2976(17) . ?
Dy1 O11 2.3001(19) . ?
Dy1 O12 2.3031(18) . ?
Dy1 O14 2.6228(19) . ?
Dy1 O6 2.6697(19) . ?
Dy1 Co2 3.4385(5) . ?
Co2 O5 2.0418(18) . ?
Co2 O7 2.0437(19) . ?
Co2 O8 2.0553(19) . ?
Co2 O13 2.0837(18) . ?
Co2 N4 2.171(2) . ?
Co2 N3 2.185(2) . ?
O5 C35 1.344(3) . ?
O6 C34 1.391(3) . ?
O6 C36 1.427(3) . ?
O7 C73 1.277(3) . ?
O8 C75 1.269(3) . ?
O9 C58 1.271(3) . ?
O10 C60 1.259(3) . ?
O11 C45 1.274(3) . ?
O12 C44 1.265(3) . ?
O13 C21 1.332(3) . ?
O14 C16 1.388(3) . ?
O14 C15 1.431(3) . ?
N3 C28 1.480(4) . ?
N3 C26 1.484(3) . ?
N3 C27 1.487(3) . ?
N4 C25 1.481(4) . ?
N4 C24 1.485(3) . ?
N4 C23 1.492(4) . ?
N5 C83 1.146(6) . ?
C15 H15A 0.9800 . ?
C15 H15B 0.9800 . ?
C15 H15C 0.9800 . ?
C16 C17 1.377(4) . ?
C16 C21 1.414(4) . ?
C17 C18 1.407(4) . ?
C17 H17 0.9500 . ?
C18 C19 1.379(4) . ?
C18 C22 1.513(4) . ?
C19 C20 1.399(4) . ?
C19 H19 0.9500 . ?
C20 C21 1.398(4) . ?
C20 C23 1.511(4) . ?
C22 H22A 0.9800 . ?
C22 H22B 0.9800 . ?
C22 H22C 0.9800 . ?
C23 H23A 0.9900 . ?
C23 H23B 0.9900 . ?
C24 H24A 0.9800 . ?
C24 H24B 0.9800 . ?
C24 H24C 0.9800 . ?
C25 C26 1.519(4) . ?
C25 H25A 0.9900 . ?
C25 H25B 0.9900 . ?
C26 H26A 0.9900 . ?
C26 H26B 0.9900 . ?
C27 H27A 0.9800 . ?
C27 H27B 0.9800 . ?
C27 H27C 0.9800 . ?
C28 C29 1.517(4) . ?
C28 H28A 0.9900 . ?
C28 H28B 0.9900 . ?
C29 C30 1.403(4) . ?
C29 C35 1.406(4) . ?
C30 C31 1.388(4) . ?
C30 H30 0.9500 . ?
C31 C33 1.405(4) . ?
C31 C32 1.514(4) . ?
C32 H32A 0.9800 . ?
C32 H32B 0.9800 . ?
C32 H32C 0.9800 . ?
C33 C34 1.372(4) . ?
C33 H33 0.9500 . ?
C34 C35 1.415(4) . ?
C36 H36A 0.9800 . ?
C36 H36B 0.9800 . ?
C36 H36C 0.9800 . ?
C37 C38 1.383(4) . ?
C37 C39 1.393(4) . ?
C37 H37 0.9500 . ?
C38 C42 1.398(4) . ?
C38 H38 0.9500 . ?
C39 C40 1.383(4) . ?
C39 H39 0.9500 . ?
C40 C41 1.388(4) . ?
C40 H40 0.9500 . ?
C41 C42 1.394(4) . ?
C41 H41 0.9500 . ?
C42 C44 1.498(4) . ?
C43 C45 1.396(4) . ?
C43 C44 1.413(4) . ?
C43 H43A 0.9500 . ?
C45 C46 1.505(3) . ?
C46 C47 1.394(4) . ?
C46 C51 1.395(4) . ?
C47 C48 1.393(4) . ?
C47 H47 0.9500 . ?
C48 C49 1.378(5) . ?
C48 H48 0.9500 . ?
C49 C50 1.371(5) . ?
C49 H49 0.9500 . ?
C50 C51 1.389(4) . ?
C50 H50 0.9500 . ?
C51 H51 0.9500 . ?
C52 C53 1.378(4) . ?
C52 C57 1.387(4) . ?
C52 H52 0.9500 . ?
C53 C54 1.392(5) . ?
C53 H53 0.9500 . ?
C54 C55 1.372(5) . ?
C54 H54 0.9500 . ?
C55 C56 1.388(5) . ?
C55 H55 0.9500 . ?
C56 C57 1.396(4) . ?
C56 H56 0.9500 . ?
C57 C58 1.500(4) . ?
C58 C59 1.397(4) . ?
C59 C60 1.404(4) . ?
C59 H59A 0.9500 . ?
C60 C61 1.511(4) . ?
C61 C62 1.393(4) . ?
C61 C66 1.394(5) . ?
C62 C63 1.385(4) . ?
C62 H62 0.9500 . ?
C63 C64 1.379(5) . ?
C63 H63 0.9500 . ?
C64 C65 1.378(6) . ?
C64 H64 0.9500 . ?
C65 C66 1.394(5) . ?
C65 H65 0.9500 . ?
C66 H66 0.9500 . ?
C67 C72 1.380(4) . ?
C67 C68 1.387(4) . ?
C67 C73 1.501(4) . ?
C68 C69 1.382(4) . ?
C68 H68 0.9500 . ?
C69 C70 1.373(5) . ?
C69 H69 0.9500 . ?
C70 C71 1.361(5) . ?
C70 H70 0.9500 . ?
C71 C72 1.392(5) . ?
C71 H71 0.9500 . ?
C72 H72 0.9500 . ?
C73 C74 1.396(4) . ?
C74 C75 1.408(4) . ?
C74 H74A 0.9500 . ?
C75 C76 1.494(4) . ?
C76 C79 1.385(4) . ?
C76 C77 1.396(4) . ?
C77 C78 1.388(5) . ?
C77 H77 0.9500 . ?
C78 C81 1.387(5) . ?
C78 H78 0.9500 . ?
C79 C80 1.385(4) . ?
C79 H79 0.9500 . ?
C80 C81 1.367(5) . ?
C80 H80 0.9500 . ?
C81 H81 0.9500 . ?
C82 C83 1.443(5) . ?
C82 H82A 0.9800 . ?
C82 H82B 0.9800 . ?
C82 H82C 0.9800 . ?
N6 C85 1.152(10) . ?
C85 C86 1.447(10) . ?
C86 H86A 0.9800 . ?
C86 H86B 0.9800 . ?
C86 H86C 0.9800 . ?
N7 C88 1.146(7) . ?
N7 N8 1.76(2) . ?
C87 N9 0.511(14) . ?
C87 C88 1.424(10) . ?
C87 C89 1.748(13) . ?
C88 N9 1.637(16) . ?
N8 C91 0.95(4) . ?
N8 C92 1.66(3) 2_665 ?
C91 C92 0.79(5) 2_665 ?
C91 C92 1.40(4) . ?
C92 C91 0.79(5) 2_665 ?
C92 C92 1.00(9) 2_665 ?
C92 N8 1.66(3) 2_665 ?
N9 C89 1.241(8) . ?
C89 C90 1.496(9) . ?
C90 C89 1.496(9) 2_565 ?

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
O13 Dy1 O9 125.27(7) . . ?
O13 Dy1 O10 77.17(7) . . ?
O9 Dy1 O10 73.33(7) . . ?
O13 Dy1 O5 68.16(6) . . ?
O9 Dy1 O5 95.16(7) . . ?
O10 Dy1 O5 126.97(7) . . ?
O13 Dy1 O11 144.90(7) . . ?
O9 Dy1 O11 79.19(7) . . ?
O10 Dy1 O11 88.79(7) . . ?
O5 Dy1 O11 140.90(7) . . ?
O13 Dy1 O12 95.80(7) . . ?
O9 Dy1 O12 135.35(7) . . ?
O10 Dy1 O12 140.00(7) . . ?
O5 Dy1 O12 83.74(6) . . ?
O11 Dy1 O12 74.54(6) . . ?
O13 Dy1 O14 62.99(6) . . ?
O9 Dy1 O14 139.39(6) . . ?
O10 Dy1 O14 70.57(7) . . ?
O5 Dy1 O14 121.32(6) . . ?
O11 Dy1 O14 82.06(6) . . ?
O12 Dy1 O14 71.26(6) . . ?
O13 Dy1 O6 128.44(6) . . ?
O9 Dy1 O6 69.33(6) . . ?
O10 Dy1 O6 142.50(6) . . ?
O5 Dy1 O6 61.01(6) . . ?
O11 Dy1 O6 81.18(6) . . ?
O12 Dy1 O6 71.42(6) . . ?
O14 Dy1 O6 141.94(6) . . ?
O13 Dy1 Co2 36.08(4) . . ?
O9 Dy1 Co2 103.88(5) . . ?
O10 Dy1 Co2 96.40(5) . . ?
O5 Dy1 Co2 35.06(4) . . ?
O11 Dy1 Co2 174.54(5) . . ?
O12 Dy1 Co2 100.29(4) . . ?
O14 Dy1 Co2 98.04(4) . . ?
O6 Dy1 Co2 95.61(4) . . ?
O5 Co2 O7 100.12(8) . . ?
O5 Co2 O8 96.90(7) . . ?
O7 Co2 O8 87.57(7) . . ?
O5 Co2 O13 77.03(7) . . ?
O7 Co2 O13 174.34(7) . . ?
O8 Co2 O13 87.93(7) . . ?
O5 Co2 N4 159.62(8) . . ?
O7 Co2 N4 95.90(8) . . ?
O8 Co2 N4 96.30(9) . . ?
O13 Co2 N4 88.00(8) . . ?
O5 Co2 N3 84.22(8) . . ?
O7 Co2 N3 88.27(8) . . ?
O8 Co2 N3 175.82(8) . . ?
O13 Co2 N3 96.25(8) . . ?
N4 Co2 N3 83.75(9) . . ?
O5 Co2 Dy1 40.27(5) . . ?
O7 Co2 Dy1 135.29(6) . . ?
O8 Co2 Dy1 80.38(5) . . ?
O13 Co2 Dy1 40.27(5) . . ?
N4 Co2 Dy1 128.01(6) . . ?
N3 Co2 Dy1 102.91(6) . . ?
C35 O5 Co2 126.84(16) . . ?
C35 O5 Dy1 122.28(15) . . ?
Co2 O5 Dy1 104.67(8) . . ?
C34 O6 C36 118.0(2) . . ?
C34 O6 Dy1 111.36(15) . . ?
C36 O6 Dy1 126.62(17) . . ?
C73 O7 Co2 127.85(17) . . ?
C75 O8 Co2 128.67(17) . . ?
C58 O9 Dy1 134.75(18) . . ?
C60 O10 Dy1 137.34(19) . . ?
C45 O11 Dy1 135.79(17) . . ?
C44 O12 Dy1 135.20(17) . . ?
C21 O13 Co2 130.66(16) . . ?
C21 O13 Dy1 124.90(16) . . ?
Co2 O13 Dy1 103.65(7) . . ?
C16 O14 C15 116.8(2) . . ?
C16 O14 Dy1 113.48(15) . . ?
C15 O14 Dy1 125.71(16) . . ?
C28 N3 C26 111.4(2) . . ?
C28 N3 C27 109.0(2) . . ?
C26 N3 C27 109.6(2) . . ?
C28 N3 Co2 108.90(16) . . ?
C26 N3 Co2 103.27(17) . . ?
C27 N3 Co2 114.59(17) . . ?
C25 N4 C24 109.6(2) . . ?
C25 N4 C23 113.1(2) . . ?
C24 N4 C23 106.2(2) . . ?
C25 N4 Co2 105.64(17) . . ?
C24 N4 Co2 110.34(18) . . ?
C23 N4 Co2 112.07(17) . . ?
O14 C15 H15A 109.5 . . ?
O14 C15 H15B 109.5 . . ?
H15A C15 H15B 109.5 . . ?
O14 C15 H15C 109.5 . . ?
H15A C15 H15C 109.5 . . ?
H15B C15 H15C 109.5 . . ?
C17 C16 O14 124.9(2) . . ?
C17 C16 C21 122.3(2) . . ?
O14 C16 C21 112.8(2) . . ?
C16 C17 C18 119.8(3) . . ?
C16 C17 H17 120.1 . . ?
C18 C17 H17 120.1 . . ?
C19 C18 C17 118.0(3) . . ?
C19 C18 C22 121.9(3) . . ?
C17 C18 C22 120.1(3) . . ?
C18 C19 C20 123.0(3) . . ?
C18 C19 H19 118.5 . . ?
C20 C19 H19 118.5 . . ?
C21 C20 C19 119.1(3) . . ?
C21 C20 C23 121.7(2) . . ?
C19 C20 C23 118.7(2) . . ?
O13 C21 C20 124.2(2) . . ?
O13 C21 C16 118.0(2) . . ?
C20 C21 C16 117.7(2) . . ?
C18 C22 H22A 109.5 . . ?
C18 C22 H22B 109.5 . . ?
H22A C22 H22B 109.5 . . ?
C18 C22 H22C 109.5 . . ?
H22A C22 H22C 109.5 . . ?
H22B C22 H22C 109.5 . . ?
N4 C23 C20 117.6(2) . . ?
N4 C23 H23A 107.9 . . ?
C20 C23 H23A 107.9 . . ?
N4 C23 H23B 107.9 . . ?
C20 C23 H23B 107.9 . . ?
H23A C23 H23B 107.2 . . ?
N4 C24 H24A 109.5 . . ?
N4 C24 H24B 109.5 . . ?
H24A C24 H24B 109.5 . . ?
N4 C24 H24C 109.5 . . ?
H24A C24 H24C 109.5 . . ?
H24B C24 H24C 109.5 . . ?
N4 C25 C26 110.8(2) . . ?
N4 C25 H25A 109.5 . . ?
C26 C25 H25A 109.5 . . ?
N4 C25 H25B 109.5 . . ?
C26 C25 H25B 109.5 . . ?
H25A C25 H25B 108.1 . . ?
N3 C26 C25 110.4(2) . . ?
N3 C26 H26A 109.6 . . ?
C25 C26 H26A 109.6 . . ?
N3 C26 H26B 109.6 . . ?
C25 C26 H26B 109.6 . . ?
H26A C26 H26B 108.1 . . ?
N3 C27 H27A 109.5 . . ?
N3 C27 H27B 109.5 . . ?
H27A C27 H27B 109.5 . . ?
N3 C27 H27C 109.5 . . ?
H27A C27 H27C 109.5 . . ?
H27B C27 H27C 109.5 . . ?
N3 C28 C29 114.0(2) . . ?
N3 C28 H28A 108.7 . . ?
C29 C28 H28A 108.7 . . ?
N3 C28 H28B 108.7 . . ?
C29 C28 H28B 108.7 . . ?
H28A C28 H28B 107.6 . . ?
C30 C29 C35 118.0(3) . . ?
C30 C29 C28 118.1(2) . . ?
C35 C29 C28 123.8(2) . . ?
C31 C30 C29 123.3(3) . . ?
C31 C30 H30 118.4 . . ?
C29 C30 H30 118.4 . . ?
C30 C31 C33 118.1(3) . . ?
C30 C31 C32 121.6(3) . . ?
C33 C31 C32 120.3(3) . . ?
C31 C32 H32A 109.5 . . ?
C31 C32 H32B 109.5 . . ?
H32A C32 H32B 109.5 . . ?
C31 C32 H32C 109.5 . . ?
H32A C32 H32C 109.5 . . ?
H32B C32 H32C 109.5 . . ?
C34 C33 C31 119.6(3) . . ?
C34 C33 H33 120.2 . . ?
C31 C33 H33 120.2 . . ?
C33 C34 O6 125.3(2) . . ?
C33 C34 C35 122.5(3) . . ?
O6 C34 C35 112.2(2) . . ?
O5 C35 C29 125.2(2) . . ?
O5 C35 C34 116.4(2) . . ?
C29 C35 C34 118.2(2) . . ?
O6 C36 H36A 109.5 . . ?
O6 C36 H36B 109.5 . . ?
H36A C36 H36B 109.5 . . ?
O6 C36 H36C 109.5 . . ?
H36A C36 H36C 109.5 . . ?
H36B C36 H36C 109.5 . . ?
C38 C37 C39 120.1(3) . . ?
C38 C37 H37 120.0 . . ?
C39 C37 H37 120.0 . . ?
C37 C38 C42 119.9(3) . . ?
C37 C38 H38 120.1 . . ?
C42 C38 H38 120.1 . . ?
C40 C39 C37 120.4(3) . . ?
C40 C39 H39 119.8 . . ?
C37 C39 H39 119.8 . . ?
C39 C40 C41 119.7(3) . . ?
C39 C40 H40 120.2 . . ?
C41 C40 H40 120.2 . . ?
C40 C41 C42 120.4(3) . . ?
C40 C41 H41 119.8 . . ?
C42 C41 H41 119.8 . . ?
C41 C42 C38 119.6(2) . . ?
C41 C42 C44 121.9(2) . . ?
C38 C42 C44 118.5(2) . . ?
C45 C43 C44 123.9(3) . . ?
C45 C43 H43A 118.0 . . ?
C44 C43 H43A 118.0 . . ?
O12 C44 C43 125.4(2) . . ?
O12 C44 C42 117.0(2) . . ?
C43 C44 C42 117.5(2) . . ?
O11 C45 C43 124.3(2) . . ?
O11 C45 C46 116.1(2) . . ?
C43 C45 C46 119.6(2) . . ?
C47 C46 C51 118.7(3) . . ?
C47 C46 C45 118.7(3) . . ?
C51 C46 C45 122.6(3) . . ?
C48 C47 C46 120.1(3) . . ?
C48 C47 H47 119.9 . . ?
C46 C47 H47 119.9 . . ?
C49 C48 C47 120.3(3) . . ?
C49 C48 H48 119.8 . . ?
C47 C48 H48 119.8 . . ?
C50 C49 C48 120.0(3) . . ?
C50 C49 H49 120.0 . . ?
C48 C49 H49 120.0 . . ?
C49 C50 C51 120.4(3) . . ?
C49 C50 H50 119.8 . . ?
C51 C50 H50 119.8 . . ?
C50 C51 C46 120.4(3) . . ?
C50 C51 H51 119.8 . . ?
C46 C51 H51 119.8 . . ?
C53 C52 C57 120.8(3) . . ?
C53 C52 H52 119.6 . . ?
C57 C52 H52 119.6 . . ?
C52 C53 C54 120.6(3) . . ?
C52 C53 H53 119.7 . . ?
C54 C53 H53 119.7 . . ?
C55 C54 C53 119.1(3) . . ?
C55 C54 H54 120.5 . . ?
C53 C54 H54 120.5 . . ?
C54 C55 C56 120.5(3) . . ?
C54 C55 H55 119.8 . . ?
C56 C55 H55 119.8 . . ?
C55 C56 C57 120.7(3) . . ?
C55 C56 H56 119.6 . . ?
C57 C56 H56 119.6 . . ?
C52 C57 C56 118.2(3) . . ?
C52 C57 C58 119.2(3) . . ?
C56 C57 C58 122.6(3) . . ?
O9 C58 C59 124.6(3) . . ?
O9 C58 C57 116.3(2) . . ?
C59 C58 C57 119.0(3) . . ?
C58 C59 C60 122.9(3) . . ?
C58 C59 H59A 118.6 . . ?
C60 C59 H59A 118.6 . . ?
O10 C60 C59 123.7(3) . . ?
O10 C60 C61 115.7(3) . . ?
C59 C60 C61 120.6(3) . . ?
C62 C61 C66 119.5(3) . . ?
C62 C61 C60 118.5(3) . . ?
C66 C61 C60 122.0(3) . . ?
C63 C62 C61 120.2(3) . . ?
C63 C62 H62 119.9 . . ?
C61 C62 H62 119.9 . . ?
C64 C63 C62 120.2(4) . . ?
C64 C63 H63 119.9 . . ?
C62 C63 H63 119.9 . . ?
C65 C64 C63 120.1(3) . . ?
C65 C64 H64 120.0 . . ?
C63 C64 H64 120.0 . . ?
C64 C65 C66 120.4(4) . . ?
C64 C65 H65 119.8 . . ?
C66 C65 H65 119.8 . . ?
C61 C66 C65 119.5(4) . . ?
C61 C66 H66 120.2 . . ?
C65 C66 H66 120.2 . . ?
C72 C67 C68 118.0(3) . . ?
C72 C67 C73 122.8(3) . . ?
C68 C67 C73 119.2(3) . . ?
C69 C68 C67 121.1(3) . . ?
C69 C68 H68 119.4 . . ?
C67 C68 H68 119.4 . . ?
C70 C69 C68 120.0(3) . . ?
C70 C69 H69 120.0 . . ?
C68 C69 H69 120.0 . . ?
C71 C70 C69 119.6(3) . . ?
C71 C70 H70 120.2 . . ?
C69 C70 H70 120.2 . . ?
C70 C71 C72 120.6(3) . . ?
C70 C71 H71 119.7 . . ?
C72 C71 H71 119.7 . . ?
C67 C72 C71 120.5(3) . . ?
C67 C72 H72 119.7 . . ?
C71 C72 H72 119.7 . . ?
O7 C73 C74 125.6(2) . . ?
O7 C73 C67 115.6(2) . . ?
C74 C73 C67 118.8(2) . . ?
C73 C74 C75 125.6(3) . . ?
C73 C74 H74A 117.2 . . ?
C75 C74 H74A 117.2 . . ?
O8 C75 C74 124.2(2) . . ?
O8 C75 C76 116.5(2) . . ?
C74 C75 C76 119.2(2) . . ?
C79 C76 C77 117.7(3) . . ?
C79 C76 C75 118.8(3) . . ?
C77 C76 C75 123.4(3) . . ?
C78 C77 C76 121.3(3) . . ?
C78 C77 H77 119.3 . . ?
C76 C77 H77 119.3 . . ?
C81 C78 C77 119.6(3) . . ?
C81 C78 H78 120.2 . . ?
C77 C78 H78 120.2 . . ?
C80 C79 C76 121.0(3) . . ?
C80 C79 H79 119.5 . . ?
C76 C79 H79 119.5 . . ?
C81 C80 C79 120.8(3) . . ?
C81 C80 H80 119.6 . . ?
C79 C80 H80 119.6 . . ?
C80 C81 C78 119.6(3) . . ?
C80 C81 H81 120.2 . . ?
C78 C81 H81 120.2 . . ?
C83 C82 H82A 109.5 . . ?
C83 C82 H82B 109.5 . . ?
H82A C82 H82B 109.5 . . ?
C83 C82 H82C 109.5 . . ?
H82A C82 H82C 109.5 . . ?
H82B C82 H82C 109.5 . . ?
N5 C83 C82 178.1(5) . . ?
N6 C85 C86 177.2(8) . . ?
C85 C86 H86A 109.5 . . ?
C85 C86 H86B 109.5 . . ?
H86A C86 H86B 109.5 . . ?
C85 C86 H86C 109.5 . . ?
H86A C86 H86C 109.5 . . ?
H86B C86 H86C 109.5 . . ?
C88 N7 N8 96.6(9) . . ?
N9 C87 C88 106(3) . . ?
N9 C87 C89 6(3) . . ?
C88 C87 C89 103.0(8) . . ?
N7 C88 C87 175.6(11) . . ?
N7 C88 N9 166.4(10) . . ?
C87 C88 N9 17.5(7) . . ?
C91 N8 C92 16(3) . 2_665 ?
C91 N8 N7 136(2) . . ?
C92 N8 N7 140(2) 2_665 . ?
C92 C91 N8 145(5) 2_665 . ?
C92 C91 C92 44(7) 2_665 . ?
N8 C91 C92 168(4) . . ?
C91 C92 C92 102(9) 2_665 2_665 ?
C91 C92 C91 136(7) 2_665 . ?
C92 C92 C91 34(3) 2_665 . ?
C91 C92 N8 19(3) 2_665 2_665 ?
C92 C92 N8 121(7) 2_665 2_665 ?
C91 C92 N8 154(5) . 2_665 ?
C87 N9 C89 172(4) . . ?
C87 N9 C88 57(2) . . ?
C89 N9 C88 119.3(12) . . ?
N9 C89 C90 170.6(11) . . ?
N9 C89 C87 2.3(11) . . ?
C90 C89 C87 170.1(8) . . ?
C89 C90 C89 180.0 . 2_565 ?

loop_
_geom_torsion_atom_site_label_1
_geom_torsion_atom_site_label_2
_geom_torsion_atom_site_label_3
_geom_torsion_atom_site_label_4
_geom_torsion
_geom_torsion_site_symmetry_1
_geom_torsion_site_symmetry_2
_geom_torsion_site_symmetry_3
_geom_torsion_site_symmetry_4
_geom_torsion_publ_flag
C15 O14 C16 C17 -0.2(4) . . . . ?
Dy1 O14 C16 C17 158.7(2) . . . . ?
C15 O14 C16 C21 -179.0(2) . . . . ?
Dy1 O14 C16 C21 -20.2(3) . . . . ?
O14 C16 C17 C18 -178.8(2) . . . . ?
C21 C16 C17 C18 -0.1(4) . . . . ?
C16 C17 C18 C19 -1.6(4) . . . . ?
C16 C17 C18 C22 177.2(3) . . . . ?
C17 C18 C19 C20 1.5(4) . . . . ?
C22 C18 C19 C20 -177.3(3) . . . . ?
C18 C19 C20 C21 0.4(4) . . . . ?
C18 C19 C20 C23 173.4(3) . . . . ?
Co2 O13 C21 C20 12.3(4) . . . . ?
Dy1 O13 C21 C20 -155.8(2) . . . . ?
Co2 O13 C21 C16 -168.35(18) . . . . ?
Dy1 O13 C21 C16 23.6(3) . . . . ?
C19 C20 C21 O13 177.2(3) . . . . ?
C23 C20 C21 O13 4.5(4) . . . . ?
C19 C20 C21 C16 -2.1(4) . . . . ?
C23 C20 C21 C16 -174.8(3) . . . . ?
C17 C16 C21 O13 -177.4(2) . . . . ?
O14 C16 C21 O13 1.4(3) . . . . ?
C17 C16 C21 C20 2.0(4) . . . . ?
O14 C16 C21 C20 -179.2(2) . . . . ?
C25 N4 C23 C20 -57.4(3) . . . . ?
C24 N4 C23 C20 -177.6(2) . . . . ?
Co2 N4 C23 C20 61.9(3) . . . . ?
C21 C20 C23 N4 -46.5(4) . . . . ?
C19 C20 C23 N4 140.8(3) . . . . ?
C24 N4 C25 C26 -81.4(3) . . . . ?
C23 N4 C25 C26 160.4(2) . . . . ?
Co2 N4 C25 C26 37.5(2) . . . . ?
C28 N3 C26 C25 162.3(2) . . . . ?
C27 N3 C26 C25 -76.9(3) . . . . ?
Co2 N3 C26 C25 45.6(2) . . . . ?
N4 C25 C26 N3 -59.3(3) . . . . ?
C26 N3 C28 C29 -179.0(2) . . . . ?
C27 N3 C28 C29 59.9(3) . . . . ?
Co2 N3 C28 C29 -65.8(2) . . . . ?
N3 C28 C29 C30 -147.9(2) . . . . ?
N3 C28 C29 C35 32.0(4) . . . . ?
C35 C29 C30 C31 -1.0(4) . . . . ?
C28 C29 C30 C31 178.9(3) . . . . ?
C29 C30 C31 C33 -3.1(4) . . . . ?
C29 C30 C31 C32 178.8(3) . . . . ?
C30 C31 C33 C34 3.0(4) . . . . ?
C32 C31 C33 C34 -178.9(3) . . . . ?
C31 C33 C34 O6 -177.4(3) . . . . ?
C31 C33 C34 C35 1.1(4) . . . . ?
C36 O6 C34 C33 -5.0(4) . . . . ?
Dy1 O6 C34 C33 153.9(2) . . . . ?
C36 O6 C34 C35 176.3(2) . . . . ?
Dy1 O6 C34 C35 -24.8(3) . . . . ?
Co2 O5 C35 C29 10.0(4) . . . . ?
Dy1 O5 C35 C29 -138.0(2) . . . . ?
Co2 O5 C35 C34 -173.66(17) . . . . ?
Dy1 O5 C35 C34 38.4(3) . . . . ?
C30 C29 C35 O5 -178.7(2) . . . . ?
C28 C29 C35 O5 1.4(4) . . . . ?
C30 C29 C35 C34 5.0(4) . . . . ?
C28 C29 C35 C34 -174.9(2) . . . . ?
C33 C34 C35 O5 178.1(2) . . . . ?
O6 C34 C35 O5 -3.1(3) . . . . ?
C33 C34 C35 C29 -5.2(4) . . . . ?
O6 C34 C35 C29 173.5(2) . . . . ?
C39 C37 C38 C42 -2.2(4) . . . . ?
C38 C37 C39 C40 0.8(4) . . . . ?
C37 C39 C40 C41 0.9(5) . . . . ?
C39 C40 C41 C42 -1.1(4) . . . . ?
C40 C41 C42 C38 -0.3(4) . . . . ?
C40 C41 C42 C44 175.9(3) . . . . ?
C37 C38 C42 C41 2.0(4) . . . . ?
C37 C38 C42 C44 -174.4(2) . . . . ?
Dy1 O12 C44 C43 -2.8(4) . . . . ?
Dy1 O12 C44 C42 173.54(17) . . . . ?
C45 C43 C44 O12 3.3(5) . . . . ?
C45 C43 C44 C42 -173.1(3) . . . . ?
C41 C42 C44 O12 146.9(3) . . . . ?
C38 C42 C44 O12 -36.8(4) . . . . ?
C41 C42 C44 C43 -36.5(4) . . . . ?
C38 C42 C44 C43 139.8(3) . . . . ?
Dy1 O11 C45 C43 12.7(4) . . . . ?
Dy1 O11 C45 C46 -166.04(18) . . . . ?
C44 C43 C45 O11 -8.0(5) . . . . ?
C44 C43 C45 C46 170.7(3) . . . . ?
O11 C45 C46 C47 12.8(4) . . . . ?
C43 C45 C46 C47 -165.9(3) . . . . ?
O11 C45 C46 C51 -166.7(3) . . . . ?
C43 C45 C46 C51 14.5(4) . . . . ?
C51 C46 C47 C48 1.0(4) . . . . ?
C45 C46 C47 C48 -178.6(3) . . . . ?
C46 C47 C48 C49 -0.6(5) . . . . ?
C47 C48 C49 C50 -0.2(5) . . . . ?
C48 C49 C50 C51 0.4(5) . . . . ?
C49 C50 C51 C46 0.0(5) . . . . ?
C47 C46 C51 C50 -0.8(5) . . . . ?
C45 C46 C51 C50 178.8(3) . . . . ?
C57 C52 C53 C54 -2.1(5) . . . . ?
C52 C53 C54 C55 -0.6(6) . . . . ?
C53 C54 C55 C56 2.0(6) . . . . ?
C54 C55 C56 C57 -0.7(6) . . . . ?
C53 C52 C57 C56 3.4(5) . . . . ?
C53 C52 C57 C58 -177.3(3) . . . . ?
C55 C56 C57 C52 -2.0(5) . . . . ?
C55 C56 C57 C58 178.7(3) . . . . ?
Dy1 O9 C58 C59 23.6(5) . . . . ?
Dy1 O9 C58 C57 -159.39(19) . . . . ?
C52 C57 C58 O9 -22.9(4) . . . . ?
C56 C57 C58 O9 156.5(3) . . . . ?
C52 C57 C58 C59 154.3(3) . . . . ?
C56 C57 C58 C59 -26.3(5) . . . . ?
O9 C58 C59 C60 -6.9(5) . . . . ?
C57 C58 C59 C60 176.2(3) . . . . ?
Dy1 O10 C60 C59 9.9(5) . . . . ?
Dy1 O10 C60 C61 -169.3(2) . . . . ?
C58 C59 C60 O10 -9.2(5) . . . . ?
C58 C59 C60 C61 170.0(3) . . . . ?
O10 C60 C61 C62 16.3(4) . . . . ?
C59 C60 C61 C62 -163.0(3) . . . . ?
O10 C60 C61 C66 -164.6(3) . . . . ?
C59 C60 C61 C66 16.2(5) . . . . ?
C66 C61 C62 C63 -1.8(5) . . . . ?
C60 C61 C62 C63 177.4(3) . . . . ?
C61 C62 C63 C64 1.4(5) . . . . ?
C62 C63 C64 C65 -0.7(6) . . . . ?
C63 C64 C65 C66 0.5(6) . . . . ?
C62 C61 C66 C65 1.6(6) . . . . ?
C60 C61 C66 C65 -177.6(4) . . . . ?
C64 C65 C66 C61 -0.9(7) . . . . ?
C72 C67 C68 C69 2.3(5) . . . . ?
C73 C67 C68 C69 -176.6(3) . . . . ?
C67 C68 C69 C70 -1.1(6) . . . . ?
C68 C69 C70 C71 0.1(6) . . . . ?
C69 C70 C71 C72 -0.2(7) . . . . ?
C68 C67 C72 C71 -2.4(6) . . . . ?
C73 C67 C72 C71 176.4(3) . . . . ?
C70 C71 C72 C67 1.4(7) . . . . ?
Co2 O7 C73 C74 -4.6(4) . . . . ?
Co2 O7 C73 C67 172.25(17) . . . . ?
C72 C67 C73 O7 153.0(3) . . . . ?
C68 C67 C73 O7 -28.2(4) . . . . ?
C72 C67 C73 C74 -29.8(4) . . . . ?
C68 C67 C73 C74 148.9(3) . . . . ?
O7 C73 C74 C75 1.3(5) . . . . ?
C67 C73 C74 C75 -175.5(3) . . . . ?
Co2 O8 C75 C74 7.1(4) . . . . ?
Co2 O8 C75 C76 -170.05(18) . . . . ?
C73 C74 C75 O8 -2.6(5) . . . . ?
C73 C74 C75 C76 174.5(3) . . . . ?
O8 C75 C76 C79 12.8(4) . . . . ?
C74 C75 C76 C79 -164.5(3) . . . . ?
O8 C75 C76 C77 -170.9(3) . . . . ?
C74 C75 C76 C77 11.8(4) . . . . ?
C79 C76 C77 C78 -0.9(5) . . . . ?
C75 C76 C77 C78 -177.2(3) . . . . ?
C76 C77 C78 C81 -0.3(6) . . . . ?
C77 C76 C79 C80 2.1(5) . . . . ?
C75 C76 C79 C80 178.6(3) . . . . ?
C76 C79 C80 C81 -2.1(6) . . . . ?
C79 C80 C81 C78 0.8(6) . . . . ?
C77 C78 C81 C80 0.4(6) . . . . ?
N8 N7 C88 N9 -149(4) . . . . ?
C89 C87 C88 N9 5(3) . . . . ?
C88 N7 N8 C91 46(3) . . . . ?
C88 N7 N8 C92 69(4) . . . 2_665 ?
N7 N8 C91 C92 114(8) . . . 2_665 ?
C92 N8 C91 C92 135(17) 2_665 . . . ?
N7 N8 C91 C92 -111(14) . . . . ?
C92 C91 C92 C91 0.00(2) 2_665 . . 2_665 ?
N8 C91 C92 C91 -145(14) . . . 2_665 ?
N8 C91 C92 C92 -145(14) . . . 2_665 ?
C92 C91 C92 N8 -9(3) 2_665 . . 2_665 ?
N8 C91 C92 N8 -154(12) . . . 2_665 ?
C89 C87 N9 C88 -63(26) . . . . ?
N7 C88 N9 C87 172(4) . . . . ?
N7 C88 N9 C89 0(5) . . . . ?
C87 C88 N9 C89 -172(4) . . . . ?
C88 N9 C89 C87 59(25) . . . . ?
C88 C87 C89 N9 -118(25) . . . . ?

_refine_diff_density_max         0.708
_refine_diff_density_min         -0.829
_refine_diff_density_rms         0.076

_shelxl_version_number           2013-2

_database_code_depnum_ccdc_archive 'CCDC 990986'
#######################################################################
#
#                 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_4

_audit_creation_method           SHELXL-2013
_chemical_name_systematic        
;
 ?
;
_chemical_name_common            ?
_chemical_melting_point          ?
_chemical_formula_moiety         ?
_chemical_formula_sum            'C74 H73.50 Co Gd N5.50 O10'
_chemical_formula_weight         1416.06

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'

_space_group_crystal_system      triclinic
_space_group_IT_number           2
_space_group_name_H-M_alt        'P -1'
_space_group_name_Hall           '-P 1'

_shelx_space_group_comment       
;
The symmetry employed for this shelxl refinement is uniquely defined
by the following loop, which should always be used as a source of
symmetry information in preference to the above space-group names.
They are only intended as comments.
;

loop_
_space_group_symop_operation_xyz
'x, y, z'
'-x, -y, -z'

_cell_length_a                   13.2821(17)
_cell_length_b                   15.488(2)
_cell_length_c                   17.966(3)
_cell_angle_alpha                88.395(5)
_cell_angle_beta                 73.291(5)
_cell_angle_gamma                69.967(4)
_cell_volume                     3315.4(9)
_cell_formula_units_Z            2
_cell_measurement_temperature    143(2)
_cell_measurement_reflns_used    13457
_cell_measurement_theta_min      2.5628
_cell_measurement_theta_max      31.5074

_exptl_crystal_description       Block
_exptl_crystal_colour            Red
_exptl_crystal_density_meas      ?
_exptl_crystal_density_method    ?
_exptl_crystal_density_diffrn    1.419
_exptl_crystal_F_000             1454
_exptl_transmission_factor_min   ?
_exptl_transmission_factor_max   ?
_exptl_crystal_size_max          0.540
_exptl_crystal_size_mid          0.400
_exptl_crystal_size_min          0.320
_exptl_absorpt_coefficient_mu    1.305
_shelx_estimated_absorpt_T_min   0.539
_shelx_estimated_absorpt_T_max   0.680
_exptl_absorpt_correction_type   Multi-scan
_exptl_absorpt_correction_T_min  0.8836
_exptl_absorpt_correction_T_max  1.0000
_exptl_absorpt_process_details   ?

_exptl_special_details           
;
 Higashi, T. (1995). Program for Absorption Correction.
 Rigaku Corporation, Tokyo, Japan 
;

_diffrn_ambient_temperature      143(2)
_diffrn_radiation_wavelength     0.71073
_diffrn_radiation_type           MoK\a
_diffrn_source                   'Rotating Anode'
_diffrn_measurement_device_type  'Saturn724+ (2x2 bin mode)'
_diffrn_measurement_method       dtprofit.ref
_diffrn_detector_area_resol_mean 28.5714
_diffrn_reflns_number            36414
_diffrn_reflns_av_unetI/netI     0.0404
_diffrn_reflns_av_R_equivalents  0.0308
_diffrn_reflns_limit_h_min       -16
_diffrn_reflns_limit_h_max       16
_diffrn_reflns_limit_k_min       -19
_diffrn_reflns_limit_k_max       19
_diffrn_reflns_limit_l_min       -22
_diffrn_reflns_limit_l_max       22
_diffrn_reflns_theta_min         2.481
_diffrn_reflns_theta_max         27.000
_diffrn_reflns_theta_full        25.000
_diffrn_measured_fraction_theta_max 0.995
_diffrn_measured_fraction_theta_full 0.995
_diffrn_reflns_Laue_measured_fraction_max 0.995
_diffrn_reflns_Laue_measured_fraction_full 0.995
_diffrn_reflns_point_group_measured_fraction_max 0.995
_diffrn_reflns_point_group_measured_fraction_full 0.995
_reflns_number_total             14380
_reflns_number_gt                13747
_reflns_threshold_expression     'I > 2σ(I)'
_reflns_Friedel_coverage         0.000
_reflns_Friedel_fraction_max     .
_reflns_Friedel_fraction_full    .

_reflns_special_details          
;
 Reflections were merged by SHELXL according to the crystal
 class for the calculation of statistics and refinement.
 
 _reflns_Friedel_fraction is defined as the number of unique
 Friedel pairs measured divided by the number that would be
 possible theoretically, ignoring centric projections and
 systematic absences.
;

_computing_data_collection       'CrystalClear (Rigaku Inc., 2008)'
_computing_cell_refinement       'CrystalClear (Rigaku Inc., 2008)'
_computing_data_reduction        'CrystalClear (Rigaku Inc., 2008)'
_computing_structure_solution    'SHELXS-97 (Sheldrick, 1990)'
_computing_structure_refinement  'SHELXL-2013 (Sheldrick, 2013)'
_computing_molecular_graphics    ?
_computing_publication_material  ?

_refine_special_details          
;
 ?
;
_refine_ls_structure_factor_coef Fsqd
_refine_ls_matrix_type           full
_refine_ls_weighting_scheme      calc
_refine_ls_weighting_details     
;
 w=1/[σ²(Fo²)+(0.0328P)²+2.4964P]
 where P=(Fo²+2Fc²)/3
;
_atom_sites_solution_primary     ?
_atom_sites_solution_secondary   ?
_atom_sites_solution_hydrogens   geom
_refine_ls_hydrogen_treatment    constr
_refine_ls_extinction_method     none
_refine_ls_extinction_coef       .
_refine_ls_number_reflns         14380
_refine_ls_number_parameters     864
_refine_ls_number_restraints     24
_refine_ls_R_factor_all          0.0370
_refine_ls_R_factor_gt           0.0348
_refine_ls_wR_factor_ref         0.0831
_refine_ls_wR_factor_gt          0.0816
_refine_ls_goodness_of_fit_ref   1.090
_refine_ls_restrained_S_all      1.099
_refine_ls_shift/su_max          0.003
_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_site_symmetry_order
_atom_site_calc_flag
_atom_site_refinement_flags_posn
_atom_site_refinement_flags_adp
_atom_site_refinement_flags_occupancy
_atom_site_disorder_assembly
_atom_site_disorder_group
Gd1 Gd 0.15084(2) 0.09739(2) 0.22526(2) 0.02291(4) Uani 1 1 d . . . . .
Co2 Co 0.11060(3) 0.20980(2) 0.40070(2) 0.02371(8) Uani 1 1 d . . . . .
O5 O 0.23796(15) 0.12272(12) 0.31340(10) 0.0246(4) Uani 1 1 d . . . . .
O6 O 0.37453(15) 0.03878(13) 0.18473(11) 0.0292(4) Uani 1 1 d . . . . .
O7 O 0.19903(16) 0.27160(13) 0.44288(11) 0.0289(4) Uani 1 1 d . . . . .
O8 O 0.07218(16) 0.32078(13) 0.33549(11) 0.0291(4) Uani 1 1 d . . . . .
O9 O 0.21784(16) 0.18586(13) 0.13142(11) 0.0307(4) Uani 1 1 d . . . . .
O10 O -0.00312(16) 0.20235(14) 0.19660(12) 0.0340(4) Uani 1 1 d . . . . .
O11 O 0.18798(16) 0.00752(13) 0.11232(11) 0.0304(4) Uani 1 1 d . . . . .
O12 O 0.21659(16) -0.05647(12) 0.25408(10) 0.0271(4) Uani 1 1 d . . . . .
O13 O 0.02510(15) 0.15298(12) 0.34757(10) 0.0260(4) Uani 1 1 d . . . . .
O14 O -0.02030(15) 0.03954(13) 0.27093(11) 0.0289(4) Uani 1 1 d . . . . .
N3 N 0.1581(2) 0.09597(15) 0.47280(13) 0.0272(5) Uani 1 1 d . . . . .
N4 N -0.0419(2) 0.26037(16) 0.49783(13) 0.0303(5) Uani 1 1 d . . . . .
N5 N 0.3836(4) 0.4085(3) 0.1864(3) 0.1019(17) Uani 1 1 d . . . . .
C15 C -0.0428(3) -0.0231(2) 0.22597(18) 0.0368(7) Uani 1 1 d . . . . .
H15A H -0.0917 0.0119 0.1956 0.044 Uiso 1 1 calc R U . . .
H15B H -0.0800 -0.0599 0.2611 0.044 Uiso 1 1 calc R U . . .
H15C H 0.0279 -0.0641 0.1906 0.044 Uiso 1 1 calc R U . . .
C16 C -0.1113(2) 0.09797(18) 0.32863(15) 0.0263(5) Uani 1 1 d . . . . .
C17 C -0.2203(2) 0.10057(19) 0.34486(16) 0.0292(6) Uani 1 1 d . . . . .
H17 H -0.2376 0.0596 0.3164 0.035 Uiso 1 1 calc R U . . .
C18 C -0.3055(2) 0.1639(2) 0.40347(17) 0.0328(6) Uani 1 1 d . . . . .
C19 C -0.2764(2) 0.2208(2) 0.44473(17) 0.0332(6) Uani 1 1 d . . . . .
H19 H -0.3335 0.2629 0.4853 0.040 Uiso 1 1 calc R U . . .
C20 C -0.1659(2) 0.21907(18) 0.42912(16) 0.0282(6) Uani 1 1 d . . . . .
C21 C -0.0813(2) 0.15762(18) 0.36904(15) 0.0258(5) Uani 1 1 d . . . . .
C22 C -0.4264(3) 0.1706(3) 0.4193(2) 0.0445(8) Uani 1 1 d . . . . .
H22A H -0.4712 0.2324 0.4095 0.053 Uiso 1 1 calc R U . . .
H22B H -0.4562 0.1591 0.4737 0.053 Uiso 1 1 calc R U . . .
H22C H -0.4302 0.1246 0.3848 0.053 Uiso 1 1 calc R U . . .
C23 C -0.1446(2) 0.2904(2) 0.47154(17) 0.0345(6) Uani 1 1 d . . . . .
H23A H -0.1411 0.3410 0.4371 0.041 Uiso 1 1 calc R U . . .
H23B H -0.2103 0.3166 0.5180 0.041 Uiso 1 1 calc R U . . .
C24 C -0.0450(3) 0.3427(2) 0.54033(18) 0.0395(7) Uani 1 1 d . . . . .
H24A H -0.1146 0.3649 0.5836 0.059 Uiso 1 1 calc R U . . .
H24B H -0.0421 0.3914 0.5046 0.059 Uiso 1 1 calc R U . . .
H24C H 0.0195 0.3261 0.5608 0.059 Uiso 1 1 calc R U . . .
C25 C -0.0374(3) 0.1841(2) 0.54980(16) 0.0355(7) Uani 1 1 d . . . . .
H25A H -0.0653 0.1400 0.5308 0.043 Uiso 1 1 calc R U . . .
H25B H -0.0866 0.2090 0.6031 0.043 Uiso 1 1 calc R U . . .
C26 C 0.0824(3) 0.1344(2) 0.55200(16) 0.0346(6) Uani 1 1 d . . . . .
H26A H 0.1092 0.1780 0.5730 0.042 Uiso 1 1 calc R U . . .
H26B H 0.0840 0.0839 0.5871 0.042 Uiso 1 1 calc R U . . .
C27 C 0.1412(3) 0.01116(19) 0.45133(16) 0.0311(6) Uani 1 1 d . . . . .
H27A H 0.1646 -0.0364 0.4862 0.047 Uiso 1 1 calc R U . . .
H27B H 0.1863 -0.0111 0.3974 0.047 Uiso 1 1 calc R U . . .
H27C H 0.0618 0.0250 0.4563 0.047 Uiso 1 1 calc R U . . .
C28 C 0.2771(2) 0.07360(19) 0.46899(16) 0.0293(6) Uani 1 1 d . . . . .
H28A H 0.2953 0.0279 0.5072 0.035 Uiso 1 1 calc R U . . .
H28B H 0.2873 0.1301 0.4846 0.035 Uiso 1 1 calc R U . . .
C29 C 0.3590(2) 0.03544(19) 0.38937(16) 0.0283(6) Uani 1 1 d . . . . .
C30 C 0.4651(2) -0.0294(2) 0.38508(18) 0.0330(6) Uani 1 1 d . . . . .
H30 H 0.4826 -0.0461 0.4324 0.040 Uiso 1 1 calc R U . . .
C31 C 0.5453(2) -0.0701(2) 0.31574(19) 0.0354(6) Uani 1 1 d . . . . .
C32 C 0.6601(3) -0.1385(3) 0.3133(2) 0.0535(9) Uani 1 1 d . . . . .
H32A H 0.7183 -0.1148 0.2837 0.064 Uiso 1 1 calc R U . . .
H32B H 0.6712 -0.1977 0.2881 0.064 Uiso 1 1 calc R U . . .
H32C H 0.6651 -0.1471 0.3666 0.064 Uiso 1 1 calc R U . . .
C33 C 0.5176(2) -0.04921(19) 0.24617(17) 0.0309(6) Uani 1 1 d . . . . .
H33 H 0.5697 -0.0785 0.1977 0.037 Uiso 1 1 calc R U . . .
C34 C 0.4142(2) 0.01414(18) 0.24873(16) 0.0264(5) Uani 1 1 d . . . . .
C35 C 0.3348(2) 0.06044(17) 0.31877(16) 0.0247(5) Uani 1 1 d . . . . .
C36 C 0.4488(2) -0.0004(2) 0.10918(17) 0.0385(7) Uani 1 1 d . . . . .
H36A H 0.4703 -0.0676 0.1072 0.046 Uiso 1 1 calc R U . . .
H36B H 0.5162 0.0163 0.0990 0.046 Uiso 1 1 calc R U . . .
H36C H 0.4110 0.0235 0.0696 0.046 Uiso 1 1 calc R U . . .
C37 C 0.4084(2) -0.2867(2) 0.34381(17) 0.0341(6) Uani 1 1 d . . . . .
H37 H 0.4501 -0.2823 0.3776 0.041 Uiso 1 1 calc R U . . .
C38 C 0.3572(2) -0.20941(19) 0.30960(15) 0.0284(6) Uani 1 1 d . . . . .
H38 H 0.3616 -0.1516 0.3211 0.034 Uiso 1 1 calc R U . . .
C39 C 0.3989(3) -0.3705(2) 0.32892(18) 0.0372(7) Uani 1 1 d . . . . .
H39 H 0.4337 -0.4232 0.3530 0.045 Uiso 1 1 calc R U . . .
C40 C 0.3392(3) -0.3781(2) 0.27950(18) 0.0361(7) Uani 1 1 d . . . . .
H40 H 0.3318 -0.4354 0.2703 0.043 Uiso 1 1 calc R U . . .
C41 C 0.2900(2) -0.30139(19) 0.24315(16) 0.0300(6) Uani 1 1 d . . . . .
H41 H 0.2503 -0.3066 0.2082 0.036 Uiso 1 1 calc R U . . .
C42 C 0.2989(2) -0.21690(18) 0.25802(15) 0.0252(5) Uani 1 1 d . . . . .
C43 C 0.2614(2) -0.14875(19) 0.13740(15) 0.0289(6) Uani 1 1 d . . . . .
H43A H 0.2867 -0.2105 0.1159 0.035 Uiso 1 1 calc R U . . .
C44 C 0.2535(2) -0.13453(18) 0.21630(15) 0.0258(5) Uani 1 1 d . . . . .
C45 C 0.2346(2) -0.07802(19) 0.08856(15) 0.0260(5) Uani 1 1 d . . . . .
C46 C 0.2640(2) -0.1012(2) 0.00274(16) 0.0291(6) Uani 1 1 d . . . . .
C47 C 0.2593(2) -0.0300(2) -0.04702(16) 0.0334(6) Uani 1 1 d . . . . .
H47 H 0.2397 0.0313 -0.0262 0.040 Uiso 1 1 calc R U . . .
C48 C 0.2831(3) -0.0479(3) -0.12681(18) 0.0426(8) Uani 1 1 d . . . . .
H48 H 0.2795 0.0010 -0.1602 0.051 Uiso 1 1 calc R U . . .
C49 C 0.3120(3) -0.1367(3) -0.15765(18) 0.0455(8) Uani 1 1 d . . . . .
H49 H 0.3272 -0.1487 -0.2121 0.055 Uiso 1 1 calc R U . . .
C50 C 0.3187(3) -0.2079(3) -0.10972(19) 0.0452(8) Uani 1 1 d . . . . .
H50 H 0.3399 -0.2691 -0.1313 0.054 Uiso 1 1 calc R U . . .
C51 C 0.2948(3) -0.1908(2) -0.02985(17) 0.0368(7) Uani 1 1 d . . . . .
H51 H 0.2993 -0.2404 0.0029 0.044 Uiso 1 1 calc R U . . .
C52 C 0.3675(2) 0.2472(2) 0.02119(19) 0.0397(7) Uani 1 1 d . . . . .
H52 H 0.3860 0.2262 0.0674 0.048 Uiso 1 1 calc R U . . .
C53 C 0.4459(3) 0.2668(3) -0.0392(2) 0.0496(9) Uani 1 1 d . . . . .
H53 H 0.5172 0.2604 -0.0340 0.059 Uiso 1 1 calc R U . . .
C54 C 0.4209(3) 0.2958(3) -0.1076(2) 0.0497(9) Uani 1 1 d . . . . .
H54 H 0.4743 0.3104 -0.1489 0.060 Uiso 1 1 calc R U . . .
C55 C 0.3187(3) 0.3032(3) -0.1149(2) 0.0544(10) Uani 1 1 d . . . . .
H55 H 0.3022 0.3211 -0.1623 0.065 Uiso 1 1 calc R U . . .
C56 C 0.2386(3) 0.2849(3) -0.0539(2) 0.0482(8) Uani 1 1 d . . . . .
H56 H 0.1677 0.2908 -0.0596 0.058 Uiso 1 1 calc R U . . .
C57 C 0.2623(2) 0.2578(2) 0.01556(17) 0.0330(6) Uani 1 1 d . . . . .
C58 C 0.1780(2) 0.23941(19) 0.08359(17) 0.0308(6) Uani 1 1 d . . . . .
C59 C 0.0633(2) 0.2836(2) 0.09303(19) 0.0380(7) Uani 1 1 d . . . . .
H59A H 0.0416 0.3278 0.0576 0.046 Uiso 1 1 calc R U . . .
C60 C -0.0214(2) 0.2662(2) 0.15225(17) 0.0323(6) Uani 1 1 d . . . . .
C61 C -0.1428(2) 0.3266(2) 0.16618(19) 0.0366(7) Uani 1 1 d . . . . .
C62 C -0.2194(2) 0.3240(2) 0.23733(19) 0.0392(7) Uani 1 1 d . . . . .
H62 H -0.1952 0.2835 0.2744 0.047 Uiso 1 1 calc R U . . .
C63 C -0.3306(3) 0.3807(3) 0.2537(2) 0.0514(9) Uani 1 1 d . . . . .
H63 H -0.3825 0.3791 0.3023 0.062 Uiso 1 1 calc R U . . .
C64 C -0.3666(3) 0.4396(3) 0.1999(3) 0.0582(10) Uani 1 1 d . . . . .
H64 H -0.4431 0.4782 0.2114 0.070 Uiso 1 1 calc R U . . .
C65 C -0.2918(3) 0.4422(3) 0.1298(3) 0.0635(11) Uani 1 1 d . . . . .
H65 H -0.3169 0.4827 0.0930 0.076 Uiso 1 1 calc R U . . .
C66 C -0.1792(3) 0.3857(3) 0.1120(2) 0.0545(9) Uani 1 1 d . . . . .
H66 H -0.1277 0.3876 0.0633 0.065 Uiso 1 1 calc R U . . .
C67 C 0.2644(2) 0.38288(18) 0.47852(16) 0.0267(5) Uani 1 1 d . . . . .
C68 C 0.2650(3) 0.3490(2) 0.55061(18) 0.0387(7) Uani 1 1 d . . . . .
H68 H 0.2312 0.3042 0.5680 0.046 Uiso 1 1 calc R U . . .
C69 C 0.3141(3) 0.3794(3) 0.5977(2) 0.0467(8) Uani 1 1 d . . . . .
H69 H 0.3133 0.3558 0.6472 0.056 Uiso 1 1 calc R U . . .
C70 C 0.3639(3) 0.4436(2) 0.5731(2) 0.0506(9) Uani 1 1 d . . . . .
H70 H 0.3972 0.4650 0.6055 0.061 Uiso 1 1 calc R U . . .
C71 C 0.3654(4) 0.4765(3) 0.5018(3) 0.0630(12) Uani 1 1 d . . . . .
H71 H 0.4004 0.5207 0.4845 0.076 Uiso 1 1 calc R U . . .
C72 C 0.3166(3) 0.4464(3) 0.4540(2) 0.0494(9) Uani 1 1 d . . . . .
H72 H 0.3191 0.4695 0.4042 0.059 Uiso 1 1 calc R U . . .
C73 C 0.2048(2) 0.35143(18) 0.43116(15) 0.0255(5) Uani 1 1 d . . . . .
C74 C 0.1564(2) 0.41208(18) 0.38163(16) 0.0286(6) Uani 1 1 d . . . . .
H74A H 0.1681 0.4694 0.3773 0.034 Uiso 1 1 calc R U . . .
C75 C 0.0920(2) 0.39530(18) 0.33776(16) 0.0272(5) Uani 1 1 d . . . . .
C76 C 0.0370(2) 0.47056(19) 0.29307(17) 0.0317(6) Uani 1 1 d . . . . .
C77 C 0.0623(3) 0.5510(2) 0.2809(2) 0.0460(8) Uani 1 1 d . . . . .
H77 H 0.1200 0.5579 0.2988 0.055 Uiso 1 1 calc R U . . .
C78 C 0.0039(4) 0.6213(3) 0.2427(2) 0.0550(10) Uani 1 1 d . . . . .
H78 H 0.0202 0.6767 0.2363 0.066 Uiso 1 1 calc R U . . .
C79 C -0.0481(3) 0.4637(2) 0.2667(2) 0.0399(7) Uani 1 1 d . . . . .
H79 H -0.0693 0.4108 0.2763 0.048 Uiso 1 1 calc R U . . .
C80 C -0.1033(3) 0.5325(2) 0.2264(2) 0.0523(9) Uani 1 1 d . . . . .
H80 H -0.1596 0.5250 0.2071 0.063 Uiso 1 1 calc R U . . .
C81 C -0.0775(4) 0.6106(3) 0.2143(2) 0.0585(10) Uani 1 1 d . . . . .
H81 H -0.1153 0.6574 0.1865 0.070 Uiso 1 1 calc R U . . .
C82 C 0.3810(3) 0.2511(3) 0.2374(2) 0.0572(10) Uani 1 1 d . . . . .
H82A H 0.3160 0.2402 0.2298 0.069 Uiso 1 1 calc R U . . .
H82B H 0.3757 0.2509 0.2929 0.069 Uiso 1 1 calc R U . . .
H82C H 0.4500 0.2023 0.2079 0.069 Uiso 1 1 calc R U . . .
C83 C 0.3828(3) 0.3393(3) 0.2101(3) 0.0627(11) Uani 1 1 d . . . . .
N6 N 0.0674(8) 0.1845(4) -0.1192(5) 0.151(3) Uani 1 1 d . U . . .
C85 C 0.0267(7) 0.1593(4) -0.0610(5) 0.101(2) Uani 1 1 d . U . . .
C86 C -0.0149(4) 0.1230(5) 0.0107(4) 0.118(3) Uani 1 1 d . . . . .
H86A H 0.0443 0.1004 0.0362 0.177 Uiso 1 1 calc R U . . .
H86B H -0.0381 0.0722 0.0001 0.177 Uiso 1 1 calc R U . . .
H86C H -0.0793 0.1717 0.0449 0.177 Uiso 1 1 calc R U . . .
N7 N 0.2191(10) 0.6398(6) 0.0779(5) 0.094(3) Uani 0.5 1 d D . P . .
C87 C 0.1888(8) 0.4842(5) 0.0775(4) 0.0425(17) Uani 0.5 1 d D . P . .
C88 C 0.2050(8) 0.5705(5) 0.0785(5) 0.062(2) Uani 0.5 1 d D . P . .
N8 N 0.3614(18) 0.5962(12) 0.0664(8) 0.147(7) Uani 0.5 1 d . . P . .
C91 C 0.420(3) 0.5461(12) 0.0402(16) 0.148(14) Uani 0.5 1 d . . P . .
C92 C 0.517(3) 0.471(5) 0.001(4) 0.22(3) Uani 0.5 1 d . . P . .
N9 N 0.1598(18) 0.4838(15) 0.0706(15) 0.245(13) Uani 0.5 1 d D . P . .
C89 C 0.0840(9) 0.4982(8) 0.0414(7) 0.090(3) Uani 0.5 1 d D . P . .
C90 C 0.0000 0.5000 0.0000 0.117(3) Uani 1 2 d DS U P . .


_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
Gd1 O9 2.3141(19) . ?
Gd1 O13 2.3173(18) . ?
Gd1 O10 2.3174(19) . ?
Gd1 O5 2.3238(18) . ?
Gd1 O11 2.3259(19) . ?
Gd1 O12 2.3398(18) . ?
Gd1 O14 2.6314(18) . ?
Gd1 O6 2.6697(19) . ?
Gd1 Co2 3.4574(6) . ?
Co2 O5 2.0422(18) . ?
Co2 O7 2.0475(19) . ?
Co2 O8 2.0536(19) . ?
Co2 O13 2.0811(18) . ?
Co2 N4 2.172(2) . ?
Co2 N3 2.183(2) . ?
O5 C35 1.345(3) . ?
O6 C34 1.390(3) . ?
O6 C36 1.432(3) . ?
O7 C73 1.273(3) . ?
O8 C75 1.273(3) . ?
O9 C58 1.276(3) . ?
O10 C60 1.254(3) . ?
O11 C45 1.280(3) . ?
O12 C44 1.269(3) . ?
O13 C21 1.330(3) . ?
O14 C16 1.392(3) . ?
O14 C15 1.437(3) . ?
N3 C28 1.479(4) . ?
N3 C27 1.484(3) . ?
N3 C26 1.485(3) . ?
N4 C25 1.481(4) . ?
N4 C24 1.486(3) . ?
N4 C23 1.492(4) . ?
N5 C83 1.144(6) . ?
C15 H15A 0.9800 . ?
C15 H15B 0.9800 . ?
C15 H15C 0.9800 . ?
C16 C17 1.379(4) . ?
C16 C21 1.413(4) . ?
C17 C18 1.401(4) . ?
C17 H17 0.9500 . ?
C18 C19 1.383(4) . ?
C18 C22 1.516(4) . ?
C19 C20 1.403(4) . ?
C19 H19 0.9500 . ?
C20 C21 1.400(4) . ?
C20 C23 1.505(4) . ?
C22 H22A 0.9800 . ?
C22 H22B 0.9800 . ?
C22 H22C 0.9800 . ?
C23 H23A 0.9900 . ?
C23 H23B 0.9900 . ?
C24 H24A 0.9800 . ?
C24 H24B 0.9800 . ?
C24 H24C 0.9800 . ?
C25 C26 1.524(4) . ?
C25 H25A 0.9900 . ?
C25 H25B 0.9900 . ?
C26 H26A 0.9900 . ?
C26 H26B 0.9900 . ?
C27 H27A 0.9800 . ?
C27 H27B 0.9800 . ?
C27 H27C 0.9800 . ?
C28 C29 1.514(4) . ?
C28 H28A 0.9900 . ?
C28 H28B 0.9900 . ?
C29 C30 1.404(4) . ?
C29 C35 1.409(4) . ?
C30 C31 1.380(4) . ?
C30 H30 0.9500 . ?
C31 C33 1.401(4) . ?
C31 C32 1.520(4) . ?
C32 H32A 0.9800 . ?
C32 H32B 0.9800 . ?
C32 H32C 0.9800 . ?
C33 C34 1.376(4) . ?
C33 H33 0.9500 . ?
C34 C35 1.407(4) . ?
C36 H36A 0.9800 . ?
C36 H36B 0.9800 . ?
C36 H36C 0.9800 . ?
C37 C38 1.383(4) . ?
C37 C39 1.388(4) . ?
C37 H37 0.9500 . ?
C38 C42 1.397(4) . ?
C38 H38 0.9500 . ?
C39 C40 1.380(4) . ?
C39 H39 0.9500 . ?
C40 C41 1.391(4) . ?
C40 H40 0.9500 . ?
C41 C42 1.394(4) . ?
C41 H41 0.9500 . ?
C42 C44 1.494(4) . ?
C43 C45 1.398(4) . ?
C43 C44 1.409(4) . ?
C43 H43A 0.9500 . ?
C45 C46 1.499(4) . ?
C46 C47 1.396(4) . ?
C46 C51 1.399(4) . ?
C47 C48 1.390(4) . ?
C47 H47 0.9500 . ?
C48 C49 1.380(5) . ?
C48 H48 0.9500 . ?
C49 C50 1.374(5) . ?
C49 H49 0.9500 . ?
C50 C51 1.390(4) . ?
C50 H50 0.9500 . ?
C51 H51 0.9500 . ?
C52 C53 1.380(4) . ?
C52 C57 1.383(4) . ?
C52 H52 0.9500 . ?
C53 C54 1.386(5) . ?
C53 H53 0.9500 . ?
C54 C55 1.367(5) . ?
C54 H54 0.9500 . ?
C55 C56 1.390(5) . ?
C55 H55 0.9500 . ?
C56 C57 1.392(4) . ?
C56 H56 0.9500 . ?
C57 C58 1.497(4) . ?
C58 C59 1.400(4) . ?
C59 C60 1.406(4) . ?
C59 H59A 0.9500 . ?
C60 C61 1.511(4) . ?
C61 C66 1.391(5) . ?
C61 C62 1.395(4) . ?
C62 C63 1.383(4) . ?
C62 H62 0.9500 . ?
C63 C64 1.384(6) . ?
C63 H63 0.9500 . ?
C64 C65 1.370(6) . ?
C64 H64 0.9500 . ?
C65 C66 1.396(5) . ?
C65 H65 0.9500 . ?
C66 H66 0.9500 . ?
C67 C72 1.382(4) . ?
C67 C68 1.385(4) . ?
C67 C73 1.504(4) . ?
C68 C69 1.383(4) . ?
C68 H68 0.9500 . ?
C69 C70 1.371(5) . ?
C69 H69 0.9500 . ?
C70 C71 1.363(5) . ?
C70 H70 0.9500 . ?
C71 C72 1.387(5) . ?
C71 H71 0.9500 . ?
C72 H72 0.9500 . ?
C73 C74 1.398(4) . ?
C74 C75 1.405(4) . ?
C74 H74A 0.9500 . ?
C75 C76 1.496(4) . ?
C76 C79 1.381(4) . ?
C76 C77 1.393(4) . ?
C77 C78 1.395(5) . ?
C77 H77 0.9500 . ?
C78 C81 1.379(5) . ?
C78 H78 0.9500 . ?
C79 C80 1.385(4) . ?
C79 H79 0.9500 . ?
C80 C81 1.362(5) . ?
C80 H80 0.9500 . ?
C81 H81 0.9500 . ?
C82 C83 1.444(6) . ?
C82 H82A 0.9800 . ?
C82 H82B 0.9800 . ?
C82 H82C 0.9800 . ?
N6 C85 1.156(10) . ?
C85 C86 1.429(10) . ?
C86 H86A 0.9800 . ?
C86 H86B 0.9800 . ?
C86 H86C 0.9800 . ?
N7 C88 1.151(7) . ?
N7 N8 1.73(2) . ?
C87 C88 1.426(9) . ?
C87 C89 1.646(15) . ?
C88 N9 1.67(2) . ?
N8 C91 0.91(3) . ?
N8 C92 1.71(3) 2_665 ?
C91 C92 0.90(6) 2_665 ?
C91 C92 1.41(4) . ?
C92 C92 0.85(13) 2_665 ?
C92 C91 0.90(6) 2_665 ?
C92 N8 1.71(3) 2_665 ?
N9 C89 1.216(9) . ?
C89 C90 1.502(11) . ?
C90 C89 1.502(11) 2_565 ?

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
O9 Gd1 O13 125.54(7) . . ?
O9 Gd1 O10 72.93(7) . . ?
O13 Gd1 O10 77.16(7) . . ?
O9 Gd1 O5 95.91(7) . . ?
O13 Gd1 O5 67.80(6) . . ?
O10 Gd1 O5 126.59(7) . . ?
O9 Gd1 O11 79.41(7) . . ?
O13 Gd1 O11 144.50(7) . . ?
O10 Gd1 O11 89.25(7) . . ?
O5 Gd1 O11 141.13(7) . . ?
O9 Gd1 O12 135.11(7) . . ?
O13 Gd1 O12 96.17(6) . . ?
O10 Gd1 O12 139.88(7) . . ?
O5 Gd1 O12 84.32(6) . . ?
O11 Gd1 O12 73.37(6) . . ?
O9 Gd1 O14 138.89(6) . . ?
O13 Gd1 O14 62.62(6) . . ?
O10 Gd1 O14 70.50(7) . . ?
O5 Gd1 O14 120.85(6) . . ?
O11 Gd1 O14 81.97(6) . . ?
O12 Gd1 O14 71.42(6) . . ?
O9 Gd1 O6 69.79(6) . . ?
O13 Gd1 O6 127.83(6) . . ?
O10 Gd1 O6 142.65(6) . . ?
O5 Gd1 O6 60.75(6) . . ?
O11 Gd1 O6 81.86(6) . . ?
O12 Gd1 O6 71.53(6) . . ?
O14 Gd1 O6 142.44(6) . . ?
O9 Gd1 Co2 104.62(5) . . ?
O13 Gd1 Co2 35.82(4) . . ?
O10 Gd1 Co2 96.25(5) . . ?
O5 Gd1 Co2 34.87(4) . . ?
O11 Gd1 Co2 173.93(5) . . ?
O12 Gd1 Co2 100.68(5) . . ?
O14 Gd1 Co2 97.42(4) . . ?
O6 Gd1 Co2 95.20(4) . . ?
O5 Co2 O7 99.81(8) . . ?
O5 Co2 O8 96.61(8) . . ?
O7 Co2 O8 87.54(7) . . ?
O5 Co2 O13 77.77(7) . . ?
O7 Co2 O13 174.32(7) . . ?
O8 Co2 O13 87.64(7) . . ?
O5 Co2 N4 160.00(8) . . ?
O7 Co2 N4 95.73(8) . . ?
O8 Co2 N4 96.56(9) . . ?
O13 Co2 N4 87.82(8) . . ?
O5 Co2 N3 83.89(8) . . ?
O7 Co2 N3 88.66(8) . . ?
O8 Co2 N3 176.20(8) . . ?
O13 Co2 N3 96.15(8) . . ?
N4 Co2 N3 83.96(9) . . ?
O5 Co2 Gd1 40.59(5) . . ?
O7 Co2 Gd1 135.18(6) . . ?
O8 Co2 Gd1 79.99(5) . . ?
O13 Co2 Gd1 40.67(5) . . ?
N4 Co2 Gd1 128.22(6) . . ?
N3 Co2 Gd1 102.67(6) . . ?
C35 O5 Co2 127.64(16) . . ?
C35 O5 Gd1 121.40(15) . . ?
Co2 O5 Gd1 104.54(7) . . ?
C34 O6 C36 117.9(2) . . ?
C34 O6 Gd1 111.73(15) . . ?
C36 O6 Gd1 125.65(16) . . ?
C73 O7 Co2 127.94(17) . . ?
C75 O8 Co2 128.44(18) . . ?
C58 O9 Gd1 134.88(18) . . ?
C60 O10 Gd1 137.42(18) . . ?
C45 O11 Gd1 136.71(17) . . ?
C44 O12 Gd1 135.72(17) . . ?
C21 O13 Co2 131.15(16) . . ?
C21 O13 Gd1 124.54(16) . . ?
Co2 O13 Gd1 103.51(7) . . ?
C16 O14 C15 116.8(2) . . ?
C16 O14 Gd1 113.93(15) . . ?
C15 O14 Gd1 125.37(16) . . ?
C28 N3 C27 109.2(2) . . ?
C28 N3 C26 111.3(2) . . ?
C27 N3 C26 109.6(2) . . ?
C28 N3 Co2 109.12(16) . . ?
C27 N3 Co2 114.52(17) . . ?
C26 N3 Co2 103.03(17) . . ?
C25 N4 C24 109.7(2) . . ?
C25 N4 C23 112.8(2) . . ?
C24 N4 C23 106.1(2) . . ?
C25 N4 Co2 105.66(17) . . ?
C24 N4 Co2 110.57(17) . . ?
C23 N4 Co2 112.07(17) . . ?
O14 C15 H15A 109.5 . . ?
O14 C15 H15B 109.5 . . ?
H15A C15 H15B 109.5 . . ?
O14 C15 H15C 109.5 . . ?
H15A C15 H15C 109.5 . . ?
H15B C15 H15C 109.5 . . ?
C17 C16 O14 124.9(2) . . ?
C17 C16 C21 122.3(2) . . ?
O14 C16 C21 112.7(2) . . ?
C16 C17 C18 119.8(3) . . ?
C16 C17 H17 120.1 . . ?
C18 C17 H17 120.1 . . ?
C19 C18 C17 118.3(3) . . ?
C19 C18 C22 121.4(3) . . ?
C17 C18 C22 120.3(3) . . ?
C18 C19 C20 122.8(3) . . ?
C18 C19 H19 118.6 . . ?
C20 C19 H19 118.6 . . ?
C21 C20 C19 118.9(3) . . ?
C21 C20 C23 122.1(2) . . ?
C19 C20 C23 118.7(2) . . ?
O13 C21 C20 123.7(2) . . ?
O13 C21 C16 118.4(2) . . ?
C20 C21 C16 117.9(2) . . ?
C18 C22 H22A 109.5 . . ?
C18 C22 H22B 109.5 . . ?
H22A C22 H22B 109.5 . . ?
C18 C22 H22C 109.5 . . ?
H22A C22 H22C 109.5 . . ?
H22B C22 H22C 109.5 . . ?
N4 C23 C20 117.7(2) . . ?
N4 C23 H23A 107.9 . . ?
C20 C23 H23A 107.9 . . ?
N4 C23 H23B 107.9 . . ?
C20 C23 H23B 107.9 . . ?
H23A C23 H23B 107.2 . . ?
N4 C24 H24A 109.5 . . ?
N4 C24 H24B 109.5 . . ?
H24A C24 H24B 109.5 . . ?
N4 C24 H24C 109.5 . . ?
H24A C24 H24C 109.5 . . ?
H24B C24 H24C 109.5 . . ?
N4 C25 C26 110.4(2) . . ?
N4 C25 H25A 109.6 . . ?
C26 C25 H25A 109.6 . . ?
N4 C25 H25B 109.6 . . ?
C26 C25 H25B 109.6 . . ?
H25A C25 H25B 108.1 . . ?
N3 C26 C25 110.8(2) . . ?
N3 C26 H26A 109.5 . . ?
C25 C26 H26A 109.5 . . ?
N3 C26 H26B 109.5 . . ?
C25 C26 H26B 109.5 . . ?
H26A C26 H26B 108.1 . . ?
N3 C27 H27A 109.5 . . ?
N3 C27 H27B 109.5 . . ?
H27A C27 H27B 109.5 . . ?
N3 C27 H27C 109.5 . . ?
H27A C27 H27C 109.5 . . ?
H27B C27 H27C 109.5 . . ?
N3 C28 C29 114.1(2) . . ?
N3 C28 H28A 108.7 . . ?
C29 C28 H28A 108.7 . . ?
N3 C28 H28B 108.7 . . ?
C29 C28 H28B 108.7 . . ?
H28A C28 H28B 107.6 . . ?
C30 C29 C35 117.7(3) . . ?
C30 C29 C28 118.5(2) . . ?
C35 C29 C28 123.8(2) . . ?
C31 C30 C29 123.4(3) . . ?
C31 C30 H30 118.3 . . ?
C29 C30 H30 118.3 . . ?
C30 C31 C33 118.4(3) . . ?
C30 C31 C32 121.9(3) . . ?
C33 C31 C32 119.7(3) . . ?
C31 C32 H32A 109.5 . . ?
C31 C32 H32B 109.5 . . ?
H32A C32 H32B 109.5 . . ?
C31 C32 H32C 109.5 . . ?
H32A C32 H32C 109.5 . . ?
H32B C32 H32C 109.5 . . ?
C34 C33 C31 119.3(3) . . ?
C34 C33 H33 120.3 . . ?
C31 C33 H33 120.3 . . ?
C33 C34 O6 125.3(3) . . ?
C33 C34 C35 122.6(3) . . ?
O6 C34 C35 112.1(2) . . ?
O5 C35 C34 117.0(2) . . ?
O5 C35 C29 124.6(2) . . ?
C34 C35 C29 118.4(2) . . ?
O6 C36 H36A 109.5 . . ?
O6 C36 H36B 109.5 . . ?
H36A C36 H36B 109.5 . . ?
O6 C36 H36C 109.5 . . ?
H36A C36 H36C 109.5 . . ?
H36B C36 H36C 109.5 . . ?
C38 C37 C39 120.2(3) . . ?
C38 C37 H37 119.9 . . ?
C39 C37 H37 119.9 . . ?
C37 C38 C42 119.6(3) . . ?
C37 C38 H38 120.2 . . ?
C42 C38 H38 120.2 . . ?
C40 C39 C37 120.6(3) . . ?
C40 C39 H39 119.7 . . ?
C37 C39 H39 119.7 . . ?
C39 C40 C41 119.7(3) . . ?
C39 C40 H40 120.2 . . ?
C41 C40 H40 120.2 . . ?
C40 C41 C42 120.0(3) . . ?
C40 C41 H41 120.0 . . ?
C42 C41 H41 120.0 . . ?
C41 C42 C38 119.8(2) . . ?
C41 C42 C44 121.6(2) . . ?
C38 C42 C44 118.5(2) . . ?
C45 C43 C44 124.4(3) . . ?
C45 C43 H43A 117.8 . . ?
C44 C43 H43A 117.8 . . ?
O12 C44 C43 125.2(2) . . ?
O12 C44 C42 116.7(2) . . ?
C43 C44 C42 118.0(2) . . ?
O11 C45 C43 123.8(2) . . ?
O11 C45 C46 116.7(2) . . ?
C43 C45 C46 119.5(2) . . ?
C47 C46 C51 118.3(3) . . ?
C47 C46 C45 118.6(3) . . ?
C51 C46 C45 123.0(3) . . ?
C48 C47 C46 120.6(3) . . ?
C48 C47 H47 119.7 . . ?
C46 C47 H47 119.7 . . ?
C49 C48 C47 120.1(3) . . ?
C49 C48 H48 119.9 . . ?
C47 C48 H48 119.9 . . ?
C50 C49 C48 120.1(3) . . ?
C50 C49 H49 120.0 . . ?
C48 C49 H49 120.0 . . ?
C49 C50 C51 120.3(3) . . ?
C49 C50 H50 119.8 . . ?
C51 C50 H50 119.8 . . ?
C50 C51 C46 120.5(3) . . ?
C50 C51 H51 119.7 . . ?
C46 C51 H51 119.7 . . ?
C53 C52 C57 121.0(3) . . ?
C53 C52 H52 119.5 . . ?
C57 C52 H52 119.5 . . ?
C52 C53 C54 120.2(3) . . ?
C52 C53 H53 119.9 . . ?
C54 C53 H53 119.9 . . ?
C55 C54 C53 119.3(3) . . ?
C55 C54 H54 120.3 . . ?
C53 C54 H54 120.3 . . ?
C54 C55 C56 120.9(3) . . ?
C54 C55 H55 119.6 . . ?
C56 C55 H55 119.6 . . ?
C55 C56 C57 120.0(3) . . ?
C55 C56 H56 120.0 . . ?
C57 C56 H56 120.0 . . ?
C52 C57 C56 118.5(3) . . ?
C52 C57 C58 119.4(3) . . ?
C56 C57 C58 122.1(3) . . ?
O9 C58 C59 124.4(3) . . ?
O9 C58 C57 115.9(2) . . ?
C59 C58 C57 119.6(3) . . ?
C58 C59 C60 123.4(3) . . ?
C58 C59 H59A 118.3 . . ?
C60 C59 H59A 118.3 . . ?
O10 C60 C59 123.8(3) . . ?
O10 C60 C61 116.0(3) . . ?
C59 C60 C61 120.2(3) . . ?
C66 C61 C62 119.6(3) . . ?
C66 C61 C60 122.5(3) . . ?
C62 C61 C60 117.9(3) . . ?
C63 C62 C61 119.8(3) . . ?
C63 C62 H62 120.1 . . ?
C61 C62 H62 120.1 . . ?
C62 C63 C64 120.5(4) . . ?
C62 C63 H63 119.8 . . ?
C64 C63 H63 119.8 . . ?
C65 C64 C63 119.9(3) . . ?
C65 C64 H64 120.0 . . ?
C63 C64 H64 120.0 . . ?
C64 C65 C66 120.6(4) . . ?
C64 C65 H65 119.7 . . ?
C66 C65 H65 119.7 . . ?
C61 C66 C65 119.5(4) . . ?
C61 C66 H66 120.2 . . ?
C65 C66 H66 120.2 . . ?
C72 C67 C68 118.1(3) . . ?
C72 C67 C73 122.7(3) . . ?
C68 C67 C73 119.2(2) . . ?
C69 C68 C67 121.1(3) . . ?
C69 C68 H68 119.4 . . ?
C67 C68 H68 119.4 . . ?
C70 C69 C68 120.0(3) . . ?
C70 C69 H69 120.0 . . ?
C68 C69 H69 120.0 . . ?
C71 C70 C69 119.5(3) . . ?
C71 C70 H70 120.2 . . ?
C69 C70 H70 120.2 . . ?
C70 C71 C72 120.9(3) . . ?
C70 C71 H71 119.6 . . ?
C72 C71 H71 119.6 . . ?
C67 C72 C71 120.3(3) . . ?
C67 C72 H72 119.8 . . ?
C71 C72 H72 119.8 . . ?
O7 C73 C74 125.6(2) . . ?
O7 C73 C67 115.7(2) . . ?
C74 C73 C67 118.7(2) . . ?
C73 C74 C75 125.4(2) . . ?
C73 C74 H74A 117.3 . . ?
C75 C74 H74A 117.3 . . ?
O8 C75 C74 124.6(2) . . ?
O8 C75 C76 116.3(2) . . ?
C74 C75 C76 119.1(2) . . ?
C79 C76 C77 117.6(3) . . ?
C79 C76 C75 119.1(3) . . ?
C77 C76 C75 123.1(3) . . ?
C76 C77 C78 120.7(3) . . ?
C76 C77 H77 119.6 . . ?
C78 C77 H77 119.6 . . ?
C81 C78 C77 120.0(3) . . ?
C81 C78 H78 120.0 . . ?
C77 C78 H78 120.0 . . ?
C76 C79 C80 121.4(3) . . ?
C76 C79 H79 119.3 . . ?
C80 C79 H79 119.3 . . ?
C81 C80 C79 120.5(3) . . ?
C81 C80 H80 119.7 . . ?
C79 C80 H80 119.7 . . ?
C80 C81 C78 119.6(3) . . ?
C80 C81 H81 120.2 . . ?
C78 C81 H81 120.2 . . ?
C83 C82 H82A 109.5 . . ?
C83 C82 H82B 109.5 . . ?
H82A C82 H82B 109.5 . . ?
C83 C82 H82C 109.5 . . ?
H82A C82 H82C 109.5 . . ?
H82B C82 H82C 109.5 . . ?
N5 C83 C82 177.7(6) . . ?
N6 C85 C86 175.4(8) . . ?
C85 C86 H86A 109.5 . . ?
C85 C86 H86B 109.5 . . ?
H86A C86 H86B 109.5 . . ?
C85 C86 H86C 109.5 . . ?
H86A C86 H86C 109.5 . . ?
H86B C86 H86C 109.5 . . ?
C88 N7 N8 97.5(10) . . ?
C88 C87 C89 107.7(8) . . ?
N7 C88 C87 178.8(9) . . ?
N7 C88 N9 166.3(12) . . ?
C87 C88 N9 13.5(7) . . ?
C91 N8 C92 18(4) . 2_665 ?
C91 N8 N7 136(2) . . ?
C92 N8 N7 139(2) 2_665 . ?
C92 C91 N8 143(7) 2_665 . ?
C92 C91 C92 35(9) 2_665 . ?
N8 C91 C92 176(4) . . ?
C92 C92 C91 108(10) 2_665 2_665 ?
C92 C92 C91 37(6) 2_665 . ?
C91 C92 C91 145(9) 2_665 . ?
C92 C92 N8 127(10) 2_665 2_665 ?
C91 C92 N8 19(3) 2_665 2_665 ?
C91 C92 N8 164(7) . 2_665 ?
C89 N9 C88 117.7(17) . . ?
N9 C89 C90 170.6(16) . . ?
N9 C89 C87 3.9(13) . . ?
C90 C89 C87 171.8(9) . . ?
C89 C90 C89 180.0(6) 2_565 . ?

loop_
_geom_torsion_atom_site_label_1
_geom_torsion_atom_site_label_2
_geom_torsion_atom_site_label_3
_geom_torsion_atom_site_label_4
_geom_torsion
_geom_torsion_site_symmetry_1
_geom_torsion_site_symmetry_2
_geom_torsion_site_symmetry_3
_geom_torsion_site_symmetry_4
_geom_torsion_publ_flag
C15 O14 C16 C17 -0.7(4) . . . . ?
Gd1 O14 C16 C17 158.3(2) . . . . ?
C15 O14 C16 C21 -179.3(2) . . . . ?
Gd1 O14 C16 C21 -20.3(3) . . . . ?
O14 C16 C17 C18 -178.7(2) . . . . ?
C21 C16 C17 C18 -0.2(4) . . . . ?
C16 C17 C18 C19 -1.5(4) . . . . ?
C16 C17 C18 C22 177.1(3) . . . . ?
C17 C18 C19 C20 1.4(4) . . . . ?
C22 C18 C19 C20 -177.1(3) . . . . ?
C18 C19 C20 C21 0.4(4) . . . . ?
C18 C19 C20 C23 173.7(3) . . . . ?
Co2 O13 C21 C20 12.3(4) . . . . ?
Gd1 O13 C21 C20 -155.8(2) . . . . ?
Co2 O13 C21 C16 -168.40(18) . . . . ?
Gd1 O13 C21 C16 23.6(3) . . . . ?
C19 C20 C21 O13 177.3(3) . . . . ?
C23 C20 C21 O13 4.2(4) . . . . ?
C19 C20 C21 C16 -2.0(4) . . . . ?
C23 C20 C21 C16 -175.2(3) . . . . ?
C17 C16 C21 O13 -177.4(2) . . . . ?
O14 C16 C21 O13 1.3(3) . . . . ?
C17 C16 C21 C20 2.0(4) . . . . ?
O14 C16 C21 C20 -179.3(2) . . . . ?
C25 N4 C23 C20 -57.5(3) . . . . ?
C24 N4 C23 C20 -177.6(2) . . . . ?
Co2 N4 C23 C20 61.7(3) . . . . ?
C21 C20 C23 N4 -46.0(4) . . . . ?
C19 C20 C23 N4 140.9(3) . . . . ?
C24 N4 C25 C26 -81.7(3) . . . . ?
C23 N4 C25 C26 160.3(2) . . . . ?
Co2 N4 C25 C26 37.5(2) . . . . ?
C28 N3 C26 C25 162.4(2) . . . . ?
C27 N3 C26 C25 -76.7(3) . . . . ?
Co2 N3 C26 C25 45.6(2) . . . . ?
N4 C25 C26 N3 -59.4(3) . . . . ?
C27 N3 C28 C29 59.8(3) . . . . ?
C26 N3 C28 C29 -179.1(2) . . . . ?
Co2 N3 C28 C29 -66.0(2) . . . . ?
N3 C28 C29 C30 -147.5(2) . . . . ?
N3 C28 C29 C35 31.9(4) . . . . ?
C35 C29 C30 C31 -0.8(4) . . . . ?
C28 C29 C30 C31 178.6(3) . . . . ?
C29 C30 C31 C33 -3.2(4) . . . . ?
C29 C30 C31 C32 178.7(3) . . . . ?
C30 C31 C33 C34 3.1(4) . . . . ?
C32 C31 C33 C34 -178.7(3) . . . . ?
C31 C33 C34 O6 -177.6(2) . . . . ?
C31 C33 C34 C35 1.0(4) . . . . ?
C36 O6 C34 C33 -3.9(4) . . . . ?
Gd1 O6 C34 C33 153.2(2) . . . . ?
C36 O6 C34 C35 177.4(2) . . . . ?
Gd1 O6 C34 C35 -25.5(2) . . . . ?
Co2 O5 C35 C34 -174.34(17) . . . . ?
Gd1 O5 C35 C34 38.3(3) . . . . ?
Co2 O5 C35 C29 9.1(3) . . . . ?
Gd1 O5 C35 C29 -138.2(2) . . . . ?
C33 C34 C35 O5 178.2(2) . . . . ?
O6 C34 C35 O5 -3.1(3) . . . . ?
C33 C34 C35 C29 -5.1(4) . . . . ?
O6 C34 C35 C29 173.7(2) . . . . ?
C30 C29 C35 O5 -178.7(2) . . . . ?
C28 C29 C35 O5 2.0(4) . . . . ?
C30 C29 C35 C34 4.9(4) . . . . ?
C28 C29 C35 C34 -174.5(2) . . . . ?
C39 C37 C38 C42 -2.1(4) . . . . ?
C38 C37 C39 C40 0.5(4) . . . . ?
C37 C39 C40 C41 1.2(4) . . . . ?
C39 C40 C41 C42 -1.4(4) . . . . ?
C40 C41 C42 C38 -0.1(4) . . . . ?
C40 C41 C42 C44 176.0(2) . . . . ?
C37 C38 C42 C41 1.9(4) . . . . ?
C37 C38 C42 C44 -174.4(2) . . . . ?
Gd1 O12 C44 C43 -2.4(4) . . . . ?
Gd1 O12 C44 C42 173.36(16) . . . . ?
C45 C43 C44 O12 3.3(4) . . . . ?
C45 C43 C44 C42 -172.4(2) . . . . ?
C41 C42 C44 O12 147.7(3) . . . . ?
C38 C42 C44 O12 -36.1(3) . . . . ?
C41 C42 C44 C43 -36.2(4) . . . . ?
C38 C42 C44 C43 140.0(3) . . . . ?
Gd1 O11 C45 C43 12.6(4) . . . . ?
Gd1 O11 C45 C46 -165.50(18) . . . . ?
C44 C43 C45 O11 -8.1(4) . . . . ?
C44 C43 C45 C46 170.0(3) . . . . ?
O11 C45 C46 C47 12.0(4) . . . . ?
C43 C45 C46 C47 -166.2(3) . . . . ?
O11 C45 C46 C51 -167.3(3) . . . . ?
C43 C45 C46 C51 14.5(4) . . . . ?
C51 C46 C47 C48 1.0(4) . . . . ?
C45 C46 C47 C48 -178.3(3) . . . . ?
C46 C47 C48 C49 -0.2(5) . . . . ?
C47 C48 C49 C50 -0.9(5) . . . . ?
C48 C49 C50 C51 1.1(5) . . . . ?
C49 C50 C51 C46 -0.3(5) . . . . ?
C47 C46 C51 C50 -0.7(4) . . . . ?
C45 C46 C51 C50 178.5(3) . . . . ?
C57 C52 C53 C54 -1.3(6) . . . . ?
C52 C53 C54 C55 -1.1(6) . . . . ?
C53 C54 C55 C56 2.1(6) . . . . ?
C54 C55 C56 C57 -0.5(6) . . . . ?
C53 C52 C57 C56 2.8(5) . . . . ?
C53 C52 C57 C58 -177.6(3) . . . . ?
C55 C56 C57 C52 -1.9(5) . . . . ?
C55 C56 C57 C58 178.6(3) . . . . ?
Gd1 O9 C58 C59 22.9(5) . . . . ?
Gd1 O9 C58 C57 -160.12(19) . . . . ?
C52 C57 C58 O9 -23.5(4) . . . . ?
C56 C57 C58 O9 156.1(3) . . . . ?
C52 C57 C58 C59 153.7(3) . . . . ?
C56 C57 C58 C59 -26.7(5) . . . . ?
O9 C58 C59 C60 -7.2(5) . . . . ?
C57 C58 C59 C60 175.9(3) . . . . ?
Gd1 O10 C60 C59 9.8(5) . . . . ?
Gd1 O10 C60 C61 -169.4(2) . . . . ?
C58 C59 C60 O10 -8.5(5) . . . . ?
C58 C59 C60 C61 170.7(3) . . . . ?
O10 C60 C61 C66 -165.0(3) . . . . ?
C59 C60 C61 C66 15.7(5) . . . . ?
O10 C60 C61 C62 16.9(4) . . . . ?
C59 C60 C61 C62 -162.3(3) . . . . ?
C66 C61 C62 C63 -0.5(5) . . . . ?
C60 C61 C62 C63 177.7(3) . . . . ?
C61 C62 C63 C64 0.4(5) . . . . ?
C62 C63 C64 C65 -0.2(6) . . . . ?
C63 C64 C65 C66 0.1(6) . . . . ?
C62 C61 C66 C65 0.4(6) . . . . ?
C60 C61 C66 C65 -177.6(3) . . . . ?
C64 C65 C66 C61 -0.2(6) . . . . ?
C72 C67 C68 C69 1.5(5) . . . . ?
C73 C67 C68 C69 -176.9(3) . . . . ?
C67 C68 C69 C70 -0.5(6) . . . . ?
C68 C69 C70 C71 -0.5(6) . . . . ?
C69 C70 C71 C72 0.4(7) . . . . ?
C68 C67 C72 C71 -1.6(5) . . . . ?
C73 C67 C72 C71 176.7(3) . . . . ?
C70 C71 C72 C67 0.7(7) . . . . ?
Co2 O7 C73 C74 -4.6(4) . . . . ?
Co2 O7 C73 C67 172.21(17) . . . . ?
C72 C67 C73 O7 153.8(3) . . . . ?
C68 C67 C73 O7 -27.9(4) . . . . ?
C72 C67 C73 C74 -29.1(4) . . . . ?
C68 C67 C73 C74 149.2(3) . . . . ?
O7 C73 C74 C75 1.2(5) . . . . ?
C67 C73 C74 C75 -175.6(3) . . . . ?
Co2 O8 C75 C74 7.0(4) . . . . ?
Co2 O8 C75 C76 -169.88(18) . . . . ?
C73 C74 C75 O8 -2.4(5) . . . . ?
C73 C74 C75 C76 174.4(3) . . . . ?
O8 C75 C76 C79 13.5(4) . . . . ?
C74 C75 C76 C79 -163.6(3) . . . . ?
O8 C75 C76 C77 -170.8(3) . . . . ?
C74 C75 C76 C77 12.1(4) . . . . ?
C79 C76 C77 C78 -0.5(5) . . . . ?
C75 C76 C77 C78 -176.2(3) . . . . ?
C76 C77 C78 C81 -2.1(6) . . . . ?
C77 C76 C79 C80 2.8(5) . . . . ?
C75 C76 C79 C80 178.6(3) . . . . ?
C76 C79 C80 C81 -2.4(6) . . . . ?
C79 C80 C81 C78 -0.3(7) . . . . ?
C77 C78 C81 C80 2.5(7) . . . . ?
N8 N7 C88 N9 -151(5) . . . . ?
C89 C87 C88 N9 6(5) . . . . ?
C88 N7 N8 C91 36(4) . . . . ?
C88 N7 N8 C92 63(5) . . . 2_665 ?
N7 N8 C91 C92 109(8) . . . 2_665 ?
C92 C91 C92 C91 0.00(3) 2_665 . . 2_665 ?
C92 C91 C92 N8 -7(8) 2_665 . . 2_665 ?
N7 C88 N9 C89 3(7) . . . . ?
C87 C88 N9 C89 -172(7) . . . . ?
C88 N9 C89 C87 26(19) . . . . ?
C88 C87 C89 N9 -151(21) . . . . ?

_refine_diff_density_max         0.870
_refine_diff_density_min         -1.006
_refine_diff_density_rms         0.073

_shelxl_version_number           2013-2

_database_code_depnum_ccdc_archive 'CCDC 990987'
