
data_01

_audit_creation_method           SHELXL-97
_chemical_name_systematic        
; 
 ? 
;
_chemical_name_common            ?
_chemical_melting_point          ?
_chemical_formula_moiety         ?
_chemical_formula_sum            C48H45N7O13Zn2
_chemical_formula_weight         1058.68

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'

_symmetry_cell_setting           Monoclinic
_symmetry_space_group_name_H-M   P21/c

loop_
_symmetry_equiv_pos_as_xyz
'x, y, z'
'-x, y+1/2, -z+1/2'
'-x, -y, -z'
'x, -y-1/2, z-1/2'

_cell_length_a                   10.405(3)
_cell_length_b                   24.813(7)
_cell_length_c                   19.681(5)
_cell_angle_alpha                90.00
_cell_angle_beta                 106.200(13)
_cell_angle_gamma                90.00
_cell_volume                     4879(2)
_cell_formula_units_Z            4
_cell_measurement_temperature    296(2)
_cell_measurement_reflns_used    2637
_cell_measurement_theta_min      2.52
_cell_measurement_theta_max      20.3975

_exptl_crystal_description       block
_exptl_crystal_colour            colorless
_exptl_crystal_size_max          0.28
_exptl_crystal_size_mid          0.26
_exptl_crystal_size_min          0.18
_exptl_crystal_density_meas      ?
_exptl_crystal_density_diffrn    1.437
_exptl_crystal_density_method    'not measured'
_exptl_crystal_F_000             2172
_exptl_absorpt_coefficient_mu    1.054
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_correction_T_min  0.7568
_exptl_absorpt_correction_T_max  0.8329
_exptl_absorpt_process_details   sadabs

_exptl_special_details           
; 
 ? 
;

_diffrn_ambient_temperature      296(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  ?
_diffrn_measurement_method       ?
_diffrn_detector_area_resol_mean ?
_diffrn_standards_number         ?
_diffrn_standards_interval_count ?
_diffrn_standards_interval_time  ?
_diffrn_standards_decay_%        ?
_diffrn_reflns_number            31706
_diffrn_reflns_av_R_equivalents  0.0925
_diffrn_reflns_av_sigmaI/netI    0.0973
_diffrn_reflns_limit_h_min       -12
_diffrn_reflns_limit_h_max       12
_diffrn_reflns_limit_k_min       -29
_diffrn_reflns_limit_k_max       29
_diffrn_reflns_limit_l_min       -20
_diffrn_reflns_limit_l_max       23
_diffrn_reflns_theta_min         1.35
_diffrn_reflns_theta_max         25.10
_reflns_number_total             8678
_reflns_number_gt                5124
_reflns_threshold_expression     >2sigma(I)

_computing_data_collection       ?
_computing_cell_refinement       ?
_computing_data_reduction        ?
_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)+(0.0592P)²+3.2298P] 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         8678
_refine_ls_number_parameters     635
_refine_ls_number_restraints     0
_refine_ls_R_factor_all          0.1158
_refine_ls_R_factor_gt           0.0559
_refine_ls_wR_factor_ref         0.1501
_refine_ls_wR_factor_gt          0.1203
_refine_ls_goodness_of_fit_ref   1.011
_refine_ls_restrained_S_all      1.011
_refine_ls_shift/su_max          0.000
_refine_ls_shift/su_mean         0.000

loop_
_atom_site_label
_atom_site_type_symbol
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_U_iso_or_equiv
_atom_site_adp_type
_atom_site_occupancy
_atom_site_symmetry_multiplicity
_atom_site_calc_flag
_atom_site_refinement_flags
_atom_site_disorder_assembly
_atom_site_disorder_group
Zn1 Zn 0.11768(6) 0.60149(2) 0.72330(3) 0.02883(18) Uani 1 1 d . . .
Zn2 Zn 1.12092(6) 1.02802(2) 0.21078(3) 0.02932(18) Uani 1 1 d . . .
O1 O 0.1987(5) 0.65412(17) 0.6292(2) 0.0745(15) Uani 1 1 d . . .
O2 O 0.1978(4) 0.67215(14) 0.7389(2) 0.0470(10) Uani 1 1 d . . .
O3 O 1.0602(3) 0.91937(14) 0.30839(18) 0.0359(9) Uani 1 1 d . . .
O4 O 1.0477(4) 1.00844(14) 0.2908(2) 0.0415(9) Uani 1 1 d . . .
O5 O 0.2113(4) 1.40237(13) 0.7398(2) 0.0422(10) Uani 1 1 d . . .
O6 O 0.2305(4) 1.42116(14) 0.6341(2) 0.0449(10) Uani 1 1 d . . .
O7 O 0.1985(3) 0.53911(12) 0.6965(2) 0.0400(9) Uani 1 1 d . . .
H7A H 0.2807 0.5387 0.7197 0.048 Uiso 1 1 d R . .
O8 O 0.4247(4) 0.93777(14) 0.7563(2) 0.0469(10) Uani 1 1 d . . .
O9 O 0.3731(6) 1.13302(16) 0.7333(3) 0.0914(19) Uani 1 1 d . . .
O10 O 0.6640(4) 1.08067(14) 0.5037(2) 0.0467(11) Uani 1 1 d . . .
N1 N -0.0734(4) 0.60248(17) 0.6545(2) 0.0336(10) Uani 1 1 d . . .
N2 N -0.9398(4) 0.54417(16) 0.3632(2) 0.0321(10) Uani 1 1 d . . .
N3 N 0.4164(4) 0.89561(16) 0.6533(2) 0.0358(11) Uani 1 1 d . . .
H3' H 0.4329 0.9003 0.6132 0.043 Uiso 1 1 calc R . .
N4 N 0.4575(5) 1.18205(16) 0.6618(2) 0.0434(12) Uani 1 1 d . . .
H4' H 0.5090 1.1809 0.6345 0.052 Uiso 1 1 calc R . .
N5 N 0.7303(4) 0.99356(16) 0.5222(2) 0.0316(10) Uani 1 1 d . . .
H5 H 0.7256 0.9652 0.5465 0.038 Uiso 1 1 calc R . .
C1 C 0.2197(6) 0.6854(2) 0.6805(3) 0.0447(15) Uani 1 1 d . . .
C2 C 0.2717(6) 0.7410(2) 0.6745(3) 0.0418(15) Uani 1 1 d . . .
C3 C 0.3025(7) 0.7569(2) 0.6150(3) 0.0586(19) Uani 1 1 d . . .
H3 H 0.2941 0.7325 0.5782 0.070 Uiso 1 1 calc R . .
C4 C 0.3464(7) 0.8088(2) 0.6079(3) 0.0552(18) Uani 1 1 d . . .
H4 H 0.3624 0.8195 0.5657 0.066 Uiso 1 1 calc R . .
C5 C 0.3665(5) 0.8448(2) 0.6638(3) 0.0335(13) Uani 1 1 d . . .
C6 C 0.3372(5) 0.8283(2) 0.7245(3) 0.0397(14) Uani 1 1 d . . .
H6 H 0.3493 0.8520 0.7624 0.048 Uiso 1 1 calc R . .
C7 C 0.2904(6) 0.7772(2) 0.7295(3) 0.0446(15) Uani 1 1 d . . .
H7 H 0.2708 0.7668 0.7709 0.054 Uiso 1 1 calc R . .
C8 C 0.4420(5) 0.93813(19) 0.6977(3) 0.0286(12) Uani 1 1 d . . .
C9 C 0.4895(5) 0.98793(19) 0.6694(3) 0.0265(11) Uani 1 1 d . . .
C10 C 0.4542(5) 1.03657(18) 0.6926(3) 0.0299(12) Uani 1 1 d . . .
H10 H 0.4075 1.0371 0.7266 0.036 Uiso 1 1 calc R . .
C11 C 0.4876(5) 1.08521(19) 0.6658(3) 0.0303(12) Uani 1 1 d . . .
C12 C 0.5591(5) 1.08339(19) 0.6161(3) 0.0317(13) Uani 1 1 d . . .
H12 H 0.5817 1.1154 0.5977 0.038 Uiso 1 1 calc R . .
C13 C 0.5974(5) 1.03487(18) 0.5935(3) 0.0260(11) Uani 1 1 d . . .
C14 C 0.5638(5) 0.98687(19) 0.6205(3) 0.0286(12) Uani 1 1 d . . .
H14 H 0.5908 0.9541 0.6060 0.034 Uiso 1 1 calc R . .
C15 C 0.4361(6) 1.1359(2) 0.6905(3) 0.0389(14) Uani 1 1 d . . .
C16 C 1.0235(5) 0.9663(2) 0.3205(3) 0.0288(12) Uani 1 1 d . . .
C17 C 0.9457(5) 0.97308(19) 0.3732(2) 0.0262(11) Uani 1 1 d . . .
C18 C 0.9194(5) 1.02412(19) 0.3931(3) 0.0314(12) Uani 1 1 d . . .
H18 H 0.9494 1.0537 0.3728 0.038 Uiso 1 1 calc R . .
C19 C 0.8497(5) 1.0327(2) 0.4423(3) 0.0325(12) Uani 1 1 d . . .
H19 H 0.8352 1.0676 0.4558 0.039 Uiso 1 1 calc R . .
C20 C 0.8014(5) 0.9890(2) 0.4714(3) 0.0287(12) Uani 1 1 d . . .
C21 C 0.8263(5) 0.9371(2) 0.4504(3) 0.0350(13) Uani 1 1 d . . .
H21 H 0.7940 0.9075 0.4696 0.042 Uiso 1 1 calc R . .
C22 C 0.8976(5) 0.9289(2) 0.4021(3) 0.0340(13) Uani 1 1 d . . .
H22 H 0.9135 0.8941 0.3889 0.041 Uiso 1 1 calc R . .
C23 C 0.6683(5) 1.03848(19) 0.5365(3) 0.0285(11) Uani 1 1 d . . .
C24 C 0.2462(5) 1.3896(2) 0.6850(3) 0.0375(14) Uani 1 1 d . . .
C25 C 0.3053(5) 1.3358(2) 0.6820(3) 0.0360(13) Uani 1 1 d . . .
C26 C 0.3112(6) 1.2979(2) 0.7333(3) 0.0440(15) Uani 1 1 d . . .
H26 H 0.2819 1.3067 0.7724 0.053 Uiso 1 1 calc R . .
C27 C 0.3604(6) 1.2463(2) 0.7281(3) 0.0462(16) Uani 1 1 d . . .
H27 H 0.3631 1.2210 0.7633 0.055 Uiso 1 1 calc R . .
C28 C 0.4047(5) 1.2331(2) 0.6713(3) 0.0364(13) Uani 1 1 d . . .
C29 C 0.4009(6) 1.2711(2) 0.6192(3) 0.0540(18) Uani 1 1 d . . .
H29 H 0.4323 1.2624 0.5807 0.065 Uiso 1 1 calc R . .
C30 C 0.3510(6) 1.3215(2) 0.6244(3) 0.0515(17) Uani 1 1 d . . .
H30 H 0.3476 1.3466 0.5888 0.062 Uiso 1 1 calc R . .
C31 C -0.8268(5) 0.5496(2) 0.3440(3) 0.0418(15) Uani 1 1 d . . .
H31 H -0.8306 0.5450 0.2966 0.050 Uiso 1 1 calc R . .
C32 C -0.7055(5) 0.5617(2) 0.3910(3) 0.0464(15) Uani 1 1 d . . .
H32 H -0.6294 0.5644 0.3752 0.056 Uiso 1 1 calc R . .
C33 C -0.6960(5) 0.5700(2) 0.4616(3) 0.0383(14) Uani 1 1 d . . .
C34 C -0.8137(5) 0.5645(3) 0.4812(3) 0.0509(16) Uani 1 1 d . . .
H34 H -0.8126 0.5696 0.5282 0.061 Uiso 1 1 calc R . .
C35 C -0.9325(6) 0.5517(2) 0.4313(3) 0.0462(15) Uani 1 1 d . . .
H35 H -1.0100 0.5482 0.4457 0.055 Uiso 1 1 calc R . .
C36 C -0.5708(5) 0.5826(2) 0.5144(3) 0.0439(15) Uani 1 1 d . . .
H36 H -0.5762 0.5949 0.5582 0.053 Uiso 1 1 calc R . .
C37 C -0.1857(5) 0.6051(2) 0.6742(3) 0.0401(14) Uani 1 1 d . . .
H37 H -0.1794 0.6121 0.7214 0.048 Uiso 1 1 calc R . .
C38 C -0.3104(5) 0.5980(2) 0.6280(3) 0.0457(15) Uani 1 1 d . . .
H38 H -0.3861 0.6003 0.6442 0.055 Uiso 1 1 calc R . .
C39 C -0.3239(5) 0.5876(2) 0.5572(3) 0.0378(13) Uani 1 1 d . . .
C40 C -0.2069(5) 0.5863(2) 0.5368(3) 0.0452(15) Uani 1 1 d . . .
H40 H -0.2103 0.5804 0.4896 0.054 Uiso 1 1 calc R . .
C41 C -0.0857(6) 0.5937(2) 0.5864(3) 0.0450(15) Uani 1 1 d . . .
H41 H -0.0084 0.5925 0.5715 0.054 Uiso 1 1 calc R . .
C42 C -0.4512(5) 0.5781(2) 0.5054(3) 0.0434(14) Uani 1 1 d . . .
H42 H -0.4477 0.5677 0.4606 0.052 Uiso 1 1 calc R . .
O12 O 0.3574(6) 0.7891(2) 0.4269(3) 0.0844(16) Uani 1 1 d . . .
N6 N 0.1446(8) 0.7586(3) 0.3959(4) 0.097(2) Uani 1 1 d . . .
C46 C 0.1783(12) 0.7040(3) 0.4095(6) 0.150(5) Uani 1 1 d . . .
H46A H 0.2737 0.7006 0.4279 0.226 Uiso 1 1 calc R . .
H46B H 0.1484 0.6838 0.3663 0.226 Uiso 1 1 calc R . .
H46C H 0.1359 0.6904 0.4435 0.226 Uiso 1 1 calc R . .
C47 C 0.0007(12) 0.7735(6) 0.3614(9) 0.227(8) Uani 1 1 d . . .
H47A H -0.0035 0.8094 0.3427 0.341 Uiso 1 1 calc R . .
H47B H -0.0488 0.7719 0.3959 0.341 Uiso 1 1 calc R . .
H47C H -0.0372 0.7487 0.3238 0.341 Uiso 1 1 calc R . .
C48 C 0.2358(10) 0.7967(3) 0.4036(4) 0.078(2) Uani 1 1 d . . .
H48 H 0.2066 0.8316 0.3905 0.094 Uiso 1 1 calc R . .
O11 O 0.7089(9) 0.6185(2) 0.0733(5) 0.159(4) Uani 1 1 d . . .
N7 N 0.8040(15) 0.6971(5) 0.0984(6) 0.184(6) Uani 1 1 d . . .
C43 C 0.780(3) 0.7566(8) 0.0912(13) 0.41(2) Uani 1 1 d . . .
H43A H 0.6927 0.7633 0.0602 0.620 Uiso 1 1 calc R . .
H43B H 0.8463 0.7728 0.0719 0.620 Uiso 1 1 calc R . .
H43C H 0.7870 0.7718 0.1369 0.620 Uiso 1 1 calc R . .
C44 C 0.943(2) 0.6959(14) 0.1380(15) 0.51(3) Uani 1 1 d . . .
H44A H 0.9723 0.6591 0.1452 0.766 Uiso 1 1 calc R . .
H44B H 0.9533 0.7130 0.1830 0.766 Uiso 1 1 calc R . .
H44C H 0.9947 0.7147 0.1123 0.766 Uiso 1 1 calc R . .
C45 C 0.717(3) 0.6618(9) 0.0786(12) 0.43(2) Uani 1 1 d . . .
O1W O 0.4098(4) 0.99542(18) 0.1375(2) 0.0699(13) Uani 1 1 d . . .


_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
Zn1 O7 1.905(3) . ?
Zn1 O2 1.929(4) . ?
Zn1 O3 1.997(3) 4_476 ?
Zn1 N1 2.070(4) . ?
Zn2 O7 1.906(3) 4_675 ?
Zn2 O5 1.973(3) 4_685 ?
Zn2 O4 1.992(4) . ?
Zn2 N2 2.074(4) 2 ?
Zn2 O6 2.475(4) 4_685 ?
Zn2 C24 2.551(5) 4_685 ?
O1 C1 1.242(7) . ?
O2 C1 1.277(7) . ?
O3 C16 1.269(6) . ?
O3 Zn1 1.997(3) 4_675 ?
O4 C16 1.257(6) . ?
O5 C24 1.271(6) . ?
O5 Zn2 1.973(3) 4_486 ?
O6 C24 1.246(6) . ?
O6 Zn2 2.475(4) 4_486 ?
O7 Zn2 1.906(3) 4_476 ?
O7 H7A 0.8500 . ?
O8 C8 1.217(6) . ?
O9 C15 1.205(6) . ?
O10 C23 1.224(5) . ?
N1 C41 1.328(6) . ?
N1 C37 1.332(6) . ?
N2 C35 1.334(7) . ?
N2 C31 1.338(6) . ?
N2 Zn2 2.074(4) 2_545 ?
N3 C8 1.348(6) . ?
N3 C5 1.401(6) . ?
N3 H3' 0.8600 . ?
N4 C15 1.322(6) . ?
N4 C28 1.412(6) . ?
N4 H4' 0.8600 . ?
N5 C23 1.356(6) . ?
N5 C20 1.404(6) . ?
N5 H5 0.8600 . ?
C1 C2 1.498(7) . ?
C2 C3 1.355(8) . ?
C2 C7 1.380(7) . ?
C3 C4 1.387(7) . ?
C3 H3 0.9300 . ?
C4 C5 1.386(7) . ?
C4 H4 0.9300 . ?
C5 C6 1.375(7) . ?
C6 C7 1.371(7) . ?
C6 H6 0.9300 . ?
C7 H7 0.9300 . ?
C8 C9 1.495(6) . ?
C9 C10 1.376(6) . ?
C9 C14 1.392(7) . ?
C10 C11 1.399(6) . ?
C10 H10 0.9300 . ?
C11 C12 1.384(7) . ?
C11 C15 1.501(7) . ?
C12 C13 1.381(6) . ?
C12 H12 0.9300 . ?
C13 C14 1.389(6) . ?
C13 C23 1.507(6) . ?
C14 H14 0.9300 . ?
C16 C17 1.492(6) . ?
C17 C18 1.376(6) . ?
C17 C22 1.391(7) . ?
C18 C19 1.378(7) . ?
C18 H18 0.9300 . ?
C19 C20 1.384(7) . ?
C19 H19 0.9300 . ?
C20 C21 1.399(7) . ?
C21 C22 1.374(7) . ?
C21 H21 0.9300 . ?
C22 H22 0.9300 . ?
C24 C25 1.476(7) . ?
C24 Zn2 2.551(5) 4_486 ?
C25 C26 1.369(7) . ?
C25 C30 1.393(7) . ?
C26 C27 1.393(7) . ?
C26 H26 0.9300 . ?
C27 C28 1.363(7) . ?
C27 H27 0.9300 . ?
C28 C29 1.386(7) . ?
C29 C30 1.369(7) . ?
C29 H29 0.9300 . ?
C30 H30 0.9300 . ?
C31 C32 1.375(7) . ?
C31 H31 0.9300 . ?
C32 C33 1.380(7) . ?
C32 H32 0.9300 . ?
C33 C34 1.389(7) . ?
C33 C36 1.456(7) . ?
C34 C35 1.385(7) . ?
C34 H34 0.9300 . ?
C35 H35 0.9300 . ?
C36 C42 1.310(7) . ?
C36 H36 0.9300 . ?
C37 C38 1.372(7) . ?
C37 H37 0.9300 . ?
C38 C39 1.384(7) . ?
C38 H38 0.9300 . ?
C39 C40 1.385(7) . ?
C39 C42 1.448(7) . ?
C40 C41 1.376(7) . ?
C40 H40 0.9300 . ?
C41 H41 0.9300 . ?
C42 H42 0.9300 . ?
O12 C48 1.234(9) . ?
N6 C48 1.317(9) . ?
N6 C46 1.406(10) . ?
N6 C47 1.507(12) . ?
C46 H46A 0.9600 . ?
C46 H46B 0.9600 . ?
C46 H46C 0.9600 . ?
C47 H47A 0.9600 . ?
C47 H47B 0.9600 . ?
C47 H47C 0.9600 . ?
C48 H48 0.9300 . ?
O11 C45 1.08(2) . ?
N7 C45 1.243(16) . ?
N7 C44 1.44(2) . ?
N7 C43 1.50(2) . ?
C43 H43A 0.9600 . ?
C43 H43B 0.9600 . ?
C43 H43C 0.9600 . ?
C44 H44A 0.9600 . ?
C44 H44B 0.9600 . ?
C44 H44C 0.9600 . ?

loop_
_geom_angle_atom_site_label_1
_geom_angle_atom_site_label_2
_geom_angle_atom_site_label_3
_geom_angle
_geom_angle_site_symmetry_1
_geom_angle_site_symmetry_3
_geom_angle_publ_flag
O7 Zn1 O2 125.31(16) . . ?
O7 Zn1 O3 106.27(15) . 4_476 ?
O2 Zn1 O3 108.61(15) . 4_476 ?
O7 Zn1 N1 104.24(16) . . ?
O2 Zn1 N1 112.77(17) . . ?
O3 Zn1 N1 95.42(16) 4_476 . ?
O7 Zn2 O5 128.34(16) 4_675 4_685 ?
O7 Zn2 O4 100.07(15) 4_675 . ?
O5 Zn2 O4 103.95(15) 4_685 . ?
O7 Zn2 N2 113.88(16) 4_675 2 ?
O5 Zn2 N2 107.49(16) 4_685 2 ?
O4 Zn2 N2 97.40(16) . 2 ?
O7 Zn2 O6 93.97(13) 4_675 4_685 ?
O5 Zn2 O6 57.82(14) 4_685 4_685 ?
O4 Zn2 O6 161.67(14) . 4_685 ?
N2 Zn2 O6 87.51(15) 2 4_685 ?
O7 Zn2 C24 114.23(17) 4_675 4_685 ?
O5 Zn2 C24 29.22(16) 4_685 4_685 ?
O4 Zn2 C24 133.02(17) . 4_685 ?
N2 Zn2 C24 96.90(17) 2 4_685 ?
O6 Zn2 C24 28.67(14) 4_685 4_685 ?
C1 O2 Zn1 105.6(3) . . ?
C16 O3 Zn1 124.9(3) . 4_675 ?
C16 O4 Zn2 137.8(3) . . ?
C24 O5 Zn2 101.5(3) . 4_486 ?
C24 O6 Zn2 79.0(3) . 4_486 ?
Zn1 O7 Zn2 115.55(17) . 4_476 ?
Zn1 O7 H7A 108.4 . . ?
Zn2 O7 H7A 108.4 4_476 . ?
C41 N1 C37 117.2(5) . . ?
C41 N1 Zn1 117.6(4) . . ?
C37 N1 Zn1 124.8(4) . . ?
C35 N2 C31 117.5(5) . . ?
C35 N2 Zn2 121.2(4) . 2_545 ?
C31 N2 Zn2 121.3(4) . 2_545 ?
C8 N3 C5 128.5(4) . . ?
C8 N3 H3' 115.7 . . ?
C5 N3 H3' 115.7 . . ?
C15 N4 C28 127.0(5) . . ?
C15 N4 H4' 116.5 . . ?
C28 N4 H4' 116.5 . . ?
C23 N5 C20 126.1(4) . . ?
C23 N5 H5 117.0 . . ?
C20 N5 H5 117.0 . . ?
O1 C1 O2 122.4(5) . . ?
O1 C1 C2 119.8(6) . . ?
O2 C1 C2 117.8(5) . . ?
C3 C2 C7 118.2(5) . . ?
C3 C2 C1 121.0(5) . . ?
C7 C2 C1 120.9(5) . . ?
C2 C3 C4 121.5(6) . . ?
C2 C3 H3 119.3 . . ?
C4 C3 H3 119.3 . . ?
C5 C4 C3 119.9(5) . . ?
C5 C4 H4 120.0 . . ?
C3 C4 H4 120.0 . . ?
C6 C5 C4 118.5(5) . . ?
C6 C5 N3 125.2(5) . . ?
C4 C5 N3 116.3(5) . . ?
C7 C6 C5 120.5(5) . . ?
C7 C6 H6 119.8 . . ?
C5 C6 H6 119.8 . . ?
C6 C7 C2 121.4(5) . . ?
C6 C7 H7 119.3 . . ?
C2 C7 H7 119.3 . . ?
O8 C8 N3 123.7(4) . . ?
O8 C8 C9 120.8(5) . . ?
N3 C8 C9 115.6(4) . . ?
C10 C9 C14 119.8(4) . . ?
C10 C9 C8 117.1(4) . . ?
C14 C9 C8 123.1(4) . . ?
C9 C10 C11 120.9(5) . . ?
C9 C10 H10 119.5 . . ?
C11 C10 H10 119.5 . . ?
C12 C11 C10 118.5(4) . . ?
C12 C11 C15 124.6(4) . . ?
C10 C11 C15 116.9(4) . . ?
C13 C12 C11 121.1(4) . . ?
C13 C12 H12 119.4 . . ?
C11 C12 H12 119.4 . . ?
C12 C13 C14 119.8(4) . . ?
C12 C13 C23 115.7(4) . . ?
C14 C13 C23 124.4(4) . . ?
C13 C14 C9 119.8(4) . . ?
C13 C14 H14 120.1 . . ?
C9 C14 H14 120.1 . . ?
O9 C15 N4 122.6(5) . . ?
O9 C15 C11 119.3(5) . . ?
N4 C15 C11 118.0(5) . . ?
O4 C16 O3 124.5(5) . . ?
O4 C16 C17 116.6(4) . . ?
O3 C16 C17 118.9(4) . . ?
C18 C17 C22 119.0(4) . . ?
C18 C17 C16 119.4(4) . . ?
C22 C17 C16 121.5(4) . . ?
C17 C18 C19 121.9(5) . . ?
C17 C18 H18 119.0 . . ?
C19 C18 H18 119.0 . . ?
C18 C19 C20 119.5(5) . . ?
C18 C19 H19 120.3 . . ?
C20 C19 H19 120.3 . . ?
C19 C20 C21 118.7(5) . . ?
C19 C20 N5 123.8(4) . . ?
C21 C20 N5 117.5(4) . . ?
C22 C21 C20 121.4(5) . . ?
C22 C21 H21 119.3 . . ?
C20 C21 H21 119.3 . . ?
C21 C22 C17 119.5(5) . . ?
C21 C22 H22 120.3 . . ?
C17 C22 H22 120.3 . . ?
O10 C23 N5 122.9(5) . . ?
O10 C23 C13 119.3(4) . . ?
N5 C23 C13 117.7(4) . . ?
O6 C24 O5 121.4(5) . . ?
O6 C24 C25 119.9(5) . . ?
O5 C24 C25 118.7(5) . . ?
O6 C24 Zn2 72.3(3) . 4_486 ?
O5 C24 Zn2 49.3(2) . 4_486 ?
C25 C24 Zn2 166.8(4) . 4_486 ?
C26 C25 C30 118.0(5) . . ?
C26 C25 C24 121.7(5) . . ?
C30 C25 C24 120.3(5) . . ?
C25 C26 C27 121.3(5) . . ?
C25 C26 H26 119.4 . . ?
C27 C26 H26 119.4 . . ?
C28 C27 C26 119.8(5) . . ?
C28 C27 H27 120.1 . . ?
C26 C27 H27 120.1 . . ?
C27 C28 C29 119.7(5) . . ?
C27 C28 N4 123.9(5) . . ?
C29 C28 N4 116.4(5) . . ?
C30 C29 C28 120.0(5) . . ?
C30 C29 H29 120.0 . . ?
C28 C29 H29 120.0 . . ?
C29 C30 C25 121.1(5) . . ?
C29 C30 H30 119.4 . . ?
C25 C30 H30 119.4 . . ?
N2 C31 C32 123.1(5) . . ?
N2 C31 H31 118.4 . . ?
C32 C31 H31 118.4 . . ?
C31 C32 C33 120.3(5) . . ?
C31 C32 H32 119.9 . . ?
C33 C32 H32 119.9 . . ?
C32 C33 C34 116.4(5) . . ?
C32 C33 C36 123.2(5) . . ?
C34 C33 C36 120.3(5) . . ?
C35 C34 C33 120.4(5) . . ?
C35 C34 H34 119.8 . . ?
C33 C34 H34 119.8 . . ?
N2 C35 C34 122.3(5) . . ?
N2 C35 H35 118.8 . . ?
C34 C35 H35 118.8 . . ?
C42 C36 C33 125.4(6) . . ?
C42 C36 H36 117.3 . . ?
C33 C36 H36 117.3 . . ?
N1 C37 C38 123.0(5) . . ?
N1 C37 H37 118.5 . . ?
C38 C37 H37 118.5 . . ?
C37 C38 C39 120.1(5) . . ?
C37 C38 H38 119.9 . . ?
C39 C38 H38 119.9 . . ?
C38 C39 C40 116.5(5) . . ?
C38 C39 C42 123.7(5) . . ?
C40 C39 C42 119.8(5) . . ?
C41 C40 C39 119.7(5) . . ?
C41 C40 H40 120.1 . . ?
C39 C40 H40 120.1 . . ?
N1 C41 C40 123.4(5) . . ?
N1 C41 H41 118.3 . . ?
C40 C41 H41 118.3 . . ?
C36 C42 C39 127.4(6) . . ?
C36 C42 H42 116.3 . . ?
C39 C42 H42 116.3 . . ?
C48 N6 C46 122.4(9) . . ?
C48 N6 C47 118.0(8) . . ?
C46 N6 C47 119.0(8) . . ?
N6 C46 H46A 109.5 . . ?
N6 C46 H46B 109.5 . . ?
H46A C46 H46B 109.5 . . ?
N6 C46 H46C 109.5 . . ?
H46A C46 H46C 109.5 . . ?
H46B C46 H46C 109.5 . . ?
N6 C47 H47A 109.5 . . ?
N6 C47 H47B 109.5 . . ?
H47A C47 H47B 109.5 . . ?
N6 C47 H47C 109.5 . . ?
H47A C47 H47C 109.5 . . ?
H47B C47 H47C 109.5 . . ?
O12 C48 N6 124.3(8) . . ?
O12 C48 H48 117.8 . . ?
N6 C48 H48 117.8 . . ?
C45 N7 C44 134(3) . . ?
C45 N7 C43 125(3) . . ?
C44 N7 C43 100.7(15) . . ?
N7 C43 H43A 109.5 . . ?
N7 C43 H43B 109.5 . . ?
H43A C43 H43B 109.5 . . ?
N7 C43 H43C 109.5 . . ?
H43A C43 H43C 109.5 . . ?
H43B C43 H43C 109.5 . . ?
N7 C44 H44A 109.5 . . ?
N7 C44 H44B 109.5 . . ?
H44A C44 H44B 109.5 . . ?
N7 C44 H44C 109.5 . . ?
H44A C44 H44C 109.5 . . ?
H44B C44 H44C 109.5 . . ?
O11 C45 N7 139(3) . . ?

_diffrn_measured_fraction_theta_max 0.997
_diffrn_reflns_theta_full        25.10
_diffrn_measured_fraction_theta_full 0.997
_refine_diff_density_max         0.591
_refine_diff_density_min         -0.450
_refine_diff_density_rms         0.084
