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

#######################################################################
#
#                 Cambridge Crystallographic Data Centre
#                                CCDC 
# 
#######################################################################
# 
#  This CIF contains data from an original supplementary publication
#  deposited with the CCDC, and may include chemical, crystal,
#  experimental, refinement, atomic coordinates,
#  anisotropic displacement parameters and molecular geometry data,
#  as required by the journal to which it was submitted.
#
#  This CIF is provided on the understanding that it is used for bona
#  fide research purposes only. It may contain copyright material
#  of the CCDC or of third parties, and may not be copied or further
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#  except for the purpose of generating routine backup copies
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#  from this site to visualise CIF-encoded structures and 
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data_a
_audit_creation_date             2014-03-04
_audit_creation_method           
;
Olex2 1.2
(compiled 2014.02.17 svn.r2891 for OlexSys, GUI svn.r4779)
;
_chemical_name_common            ?
_chemical_name_systematic        
;
 ? 
;
_chemical_formula_moiety         'C36 H34 N10 O11 Zn2, 2(H2 O)'
_chemical_formula_sum            'C36 H38 N10 O13 Zn2'
_chemical_formula_weight         949.50
_chemical_absolute_configuration ad
_chemical_melting_point          ?
loop_
_atom_type_symbol
_atom_type_description
_atom_type_scat_dispersion_real
_atom_type_scat_dispersion_imag
_atom_type_scat_source
C C 0.0033 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'

_space_group_crystal_system      monoclinic
_space_group_IT_number           9
_space_group_name_H-M_alt        'C 1 c 1'
_space_group_name_Hall           'C -2yc'
loop_
_space_group_symop_id
_space_group_symop_operation_xyz
1 'x, y, z'
2 'x, -y, z+1/2'
3 'x+1/2, y+1/2, z'
4 'x+1/2, -y+1/2, z+1/2'

_cell_length_a                   21.383(5)
_cell_length_b                   18.940(5)
_cell_length_c                   9.587(2)
_cell_angle_alpha                90.00
_cell_angle_beta                 94.379(8)
_cell_angle_gamma                90.00
_cell_volume                     3871.4(17)
_cell_formula_units_Z            4
_cell_measurement_reflns_used    1260
_cell_measurement_temperature    298(2)
_cell_measurement_theta_max      21.849
_cell_measurement_theta_min      2.425
_exptl_absorpt_coefficient_mu    1.320
_exptl_absorpt_correction_T_max  1
_exptl_absorpt_correction_T_min  0.057304
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   
;
? was used for absorption correction.
R(int) was 0.0446 before and 0.0261 after correction.
The Ratio of minimum to maximum transmission is 0.0573.
The λ/2 correction factor is 0.0015.
;
_exptl_crystal_colour            yellow
_exptl_crystal_colour_primary    yellow
_exptl_crystal_density_diffrn    1.629
_exptl_crystal_density_meas      .
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       block
_exptl_crystal_F_000             1952
_exptl_crystal_size_max          0.25
_exptl_crystal_size_mid          0.2
_exptl_crystal_size_min          0.15
_exptl_special_details           
;
 ? 
;
_diffrn_reflns_av_R_equivalents  0.0341
_diffrn_reflns_av_unetI/netI     0.0728
_diffrn_reflns_limit_h_max       25
_diffrn_reflns_limit_h_min       -25
_diffrn_reflns_limit_k_max       11
_diffrn_reflns_limit_k_min       -22
_diffrn_reflns_limit_l_max       11
_diffrn_reflns_limit_l_min       -10
_diffrn_reflns_number            7974
_diffrn_reflns_theta_full        25.00
_diffrn_reflns_theta_max         25.00
_diffrn_reflns_theta_min         1.44
_diffrn_ambient_temperature      298.15
_diffrn_detector_area_resol_mean ?
_diffrn_measured_fraction_theta_full 0.980
_diffrn_measured_fraction_theta_max 0.980
_diffrn_measurement_device_type  'CCD area detector'
_diffrn_measurement_method       'phi and omega scans'
_diffrn_radiation_monochromator  graphite
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_source                   'fine-focus sealed tube'
_diffrn_standards_decay_%        ?
_diffrn_standards_interval_count ?
_diffrn_standards_interval_time  ?
_diffrn_standards_number         ?
_reflns_number_gt                4439
_reflns_number_total             5886
_reflns_threshold_expression     >2sigma(I)
_computing_cell_refinement       ?
_computing_data_collection       ?
_computing_data_reduction        ?
_computing_molecular_graphics    'Olex2 (Dolomanov et al., 2009)'
_computing_publication_material  'Olex2 (Dolomanov et al., 2009)'
_computing_structure_refinement  'XL (Sheldrick, 2008)'
_computing_structure_solution    'SHELXS-97 (Sheldrick, 1990)'
_refine_diff_density_max         0.638
_refine_diff_density_min         -0.611
_refine_diff_density_rms         0.082
_refine_ls_abs_structure_details 'Flack H D (1983), Acta Cryst. A39, 876-881'
_refine_ls_abs_structure_Flack   0.007(15)
_refine_ls_extinction_coef       ?
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   0.970
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     558
_refine_ls_number_reflns         5886
_refine_ls_number_restraints     5
_refine_ls_R_factor_all          0.0634
_refine_ls_R_factor_gt           0.0475
_refine_ls_restrained_S_all      0.976
_refine_ls_shift/su_max          0.004
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details     
'calc w=1/[σ²(Fo²)+(0.0596P)²+0.0000P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1081
_refine_ls_wR_factor_ref         0.1121
_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. 
;
_olex2_refinement_description    
;
1. Fixed Uiso
 At 1.2 times of:
  All C(H) groups, All C(H,H) groups, All N(H) groups
 At 1.5 times of:
  All C(H,H,H) groups, All O(H,H) groups
2. Restrained distances
 N1-C7
 1.47 with sigma of 0.02
 C7-C8
 1.5 with sigma of 0.02
 N1-C8
 2.455 with sigma of 0.04
3.a Free rotating group:
 O11(H11c,H11d), O12(H12c,H12d)
3.b Rotating group:
 O1W(H1Wa,H1Wb)
3.c Ternary CH refined with riding coordinates:
 N6(H6), N5(H5)
3.d Secondary CH2 refined with riding coordinates:
 C16(H16a,H16b), C17(H17a,H17b), C15(H15a,H15b), C18(H18a,H18b), C27(H27a,
 H27b), C12(H12a,H12b), C14(H14a,H14b), C11(H11a,H11b), C13(H13a,H13b)
3.e Aromatic/amide H refined with riding coordinates:
 C22(H22), C31(H31), C26(H26), C9(H9), C6(H6a), C34(H34), C36(H36), C35(H35),
 C7(H7)
3.f Idealised Me refined as rotating group:
 C28(H28a,H28b,H28c)
;
_atom_sites_solution_hydrogens   geom
_atom_sites_solution_primary     direct
_atom_sites_solution_secondary   difmap
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_calc_flag
_atom_site_disorder_assembly
_atom_site_disorder_group
_atom_site_refinement_flags_posn
Zn2 Zn 0.53555(3) 0.39544(4) 1.60423(6) 0.0387(2) Uani 1 d . . .
Zn1 Zn 0.54305(3) 0.10365(4) 0.78341(6) 0.0373(2) Uani 1 d . . .
O3 O 0.6339(2) 0.1028(2) 0.7420(5) 0.0413(11) Uani 1 d . . .
C20 C 0.2337(3) 0.0007(3) 0.3969(7) 0.0325(15) Uani 1 d . . .
C2 C 0.6438(3) -0.0217(3) 0.7356(6) 0.0334(14) Uani 1 d . . .
O1 O 0.5548(2) 0.0054(3) 0.8593(5) 0.0477(13) Uani 1 d . . .
C5 C 0.7449(3) -0.0012(3) 0.5708(7) 0.0409(16) Uani 1 d . . .
N8 N 0.2829(3) 0.1319(2) 0.4466(8) 0.0426(13) Uani 1 d . . .
C22 C 0.2312(3) 0.1237(3) 0.3634(7) 0.0404(17) Uani 1 d . . .
H22 H 0.2111 0.1640 0.3272 0.048 Uiso 1 calc . . R
O4 O 0.4762(2) 0.1340(2) 0.9019(4) 0.0465(12) Uani 1 d . . .
C16 C 0.3969(3) 0.0232(3) 0.6542(7) 0.0417(17) Uani 1 d . . .
H16A H 0.3727 -0.0200 0.6452 0.050 Uiso 1 calc . . R
H16B H 0.4057 0.0330 0.7531 0.050 Uiso 1 calc . . R
C4 C 0.7149(3) 0.0554(3) 0.6237(6) 0.0321(15) Uani 1 d . . .
N7 N 0.3608(3) 0.0808(3) 0.5893(6) 0.0387(15) Uani 1 d . . .
N3 N 0.7883(3) 0.1300(3) 0.5202(6) 0.0460(15) Uani 1 d . . .
C32 C 0.4520(4) 0.2789(3) 1.2946(7) 0.0395(17) Uani 1 d . . .
C24 C 0.1312(3) -0.0196(3) 0.2011(6) 0.0362(15) Uani 1 d . . .
N2 N 0.7952(3) 0.0040(3) 0.4972(6) 0.0455(15) Uani 1 d . . .
C3 C 0.6610(3) 0.0481(3) 0.7043(6) 0.0334(15) Uani 1 d . . .
C31 C 0.4898(3) 0.2441(3) 1.2077(6) 0.0352(16) Uani 1 d . . .
H31 H 0.5327 0.2525 1.2144 0.042 Uiso 1 calc . . R
C17 C 0.3965(3) 0.1469(3) 0.5964(7) 0.0392(17) Uani 1 d . . .
H17A H 0.4063 0.1601 0.6933 0.047 Uiso 1 calc . . R
H17B H 0.3717 0.1843 0.5508 0.047 Uiso 1 calc . . R
O5 O 0.5619(2) 0.1630(3) 1.0291(6) 0.0599(15) Uani 1 d . . .
C10 C 0.8158(3) 0.0699(3) 0.4788(6) 0.0350(15) Uani 1 d . . .
C26 C 0.1599(3) -0.0729(3) 0.2731(7) 0.0411(16) Uani 1 d . . .
H26 H 0.1451 -0.1184 0.2542 0.049 Uiso 1 calc . . R
N6 N 0.4941(2) 0.0796(3) 0.5926(5) 0.0377(13) Uani 1 d . . .
H6 H 0.5245 0.0721 0.5328 0.045 Uiso 1 calc . . R
C21 C 0.2049(3) 0.0578(3) 0.3267(7) 0.0317(16) Uani 1 d . . .
C15 C 0.4573(3) 0.0137(3) 0.5873(8) 0.0449(18) Uani 1 d . . .
H15A H 0.4816 -0.0235 0.6354 0.054 Uiso 1 calc . . R
H15B H 0.4485 -0.0006 0.4907 0.054 Uiso 1 calc . . R
N10 N 0.2086(2) -0.0657(3) 0.3712(6) 0.0402(14) Uani 1 d . . .
N9 N 0.2858(2) 0.0061(2) 0.4845(5) 0.0343(14) Uani 1 d . . .
C19 C 0.3081(3) 0.0714(3) 0.5054(6) 0.0335(15) Uani 1 d . . .
C18 C 0.4550(3) 0.1373(3) 0.5264(7) 0.0409(16) Uani 1 d . . .
H18A H 0.4787 0.1810 0.5313 0.049 Uiso 1 calc . . R
H18B H 0.4448 0.1263 0.4285 0.049 Uiso 1 calc . . R
C27 C 0.2346(3) -0.1295(3) 0.4415(7) 0.0468(18) Uani 1 d . . .
H27A H 0.2008 -0.1559 0.4792 0.056 Uiso 1 calc . . R
H27B H 0.2638 -0.1158 0.5190 0.056 Uiso 1 calc . . R
C9 C 0.7394(3) 0.1216(3) 0.5914(7) 0.0421(17) Uani 1 d . . .
H9 H 0.7195 0.1617 0.6225 0.050 Uiso 1 calc . . R
N1 N 0.7218(3) -0.0685(3) 0.5930(7) 0.0635(19) Uani 1 d . . D
C6 C 0.6747(4) -0.0755(4) 0.6774(8) 0.055(2) Uani 1 d . . .
H6A H 0.6623 -0.1212 0.6976 0.066 Uiso 1 calc . . R
C1 C 0.5943(3) -0.0400(3) 0.8317(6) 0.0343(15) Uani 1 d . . .
O2 O 0.5942(2) -0.1008(2) 0.8814(6) 0.0597(14) Uani 1 d . . .
N4 N 0.8678(2) 0.0774(3) 0.4088(5) 0.0364(13) Uani 1 d . . .
O7 O 0.4438(3) 0.3616(3) 1.4769(5) 0.082(2) Uani 1 d . . .
C34 C 0.3869(4) 0.2684(3) 1.2836(7) 0.0459(18) Uani 1 d . . .
H34 H 0.3612 0.2932 1.3404 0.055 Uiso 1 calc . . R
C29 C 0.5040(3) 0.1621(3) 1.0086(7) 0.0360(16) Uani 1 d . . .
O6 O 0.5374(3) 0.3311(3) 1.4321(7) 0.077(2) Uani 1 d . . .
C30 C 0.4638(3) 0.1965(3) 1.1100(6) 0.0312(14) Uani 1 d . . .
C36 C 0.4004(3) 0.1863(3) 1.1002(7) 0.0429(17) Uani 1 d . . .
H36 H 0.3826 0.1553 1.0331 0.051 Uiso 1 calc . . R
C35 C 0.3622(3) 0.2208(4) 1.1873(7) 0.0481(18) Uani 1 d . . .
H35 H 0.3193 0.2116 1.1807 0.058 Uiso 1 calc . . R
C33 C 0.4802(5) 0.3269(4) 1.4082(7) 0.058(2) Uani 1 d . . .
C23 C 0.1499(3) 0.0518(3) 0.2313(6) 0.0312(15) Uani 1 d . . .
C12 C 0.9467(3) 0.1544(3) 0.3118(7) 0.0426(17) Uani 1 d . . .
H12A H 0.9746 0.1937 0.3353 0.051 Uiso 1 calc . . R
H12B H 0.9194 0.1678 0.2306 0.051 Uiso 1 calc . . R
C14 C 0.9026(3) 0.0147(3) 0.3710(7) 0.0444(17) Uani 1 d . . .
H14A H 0.8734 -0.0232 0.3455 0.053 Uiso 1 calc . . R
H14B H 0.9298 -0.0007 0.4508 0.053 Uiso 1 calc . . R
C11 C 0.9076(3) 0.1401(4) 0.4323(7) 0.0479(18) Uani 1 d . . .
H11A H 0.9350 0.1334 0.5167 0.057 Uiso 1 calc . . R
H11B H 0.8812 0.1808 0.4466 0.057 Uiso 1 calc . . R
C13 C 0.9414(3) 0.0305(4) 0.2501(7) 0.0451(17) Uani 1 d . . .
H13A H 0.9657 -0.0112 0.2304 0.054 Uiso 1 calc . . R
H13B H 0.9136 0.0404 0.1679 0.054 Uiso 1 calc . . R
C28 C 0.2673(4) -0.1758(5) 0.3449(9) 0.077(3) Uani 1 d . . .
H28A H 0.2398 -0.1858 0.2635 0.116 Uiso 1 calc . . GR
H28B H 0.2792 -0.2191 0.3915 0.116 Uiso 1 calc . . GR
H28C H 0.3042 -0.1522 0.3173 0.116 Uiso 1 calc . . GR
N5 N 0.9850(2) 0.0910(3) 0.2757(5) 0.0355(13) Uani 1 d . . .
H5 H 1.0121 0.0806 0.3507 0.043 Uiso 1 calc . . R
O10 O 0.1244(2) 0.1074(2) 0.1812(5) 0.0401(11) Uani 1 d . . .
O9 O 0.0768(3) -0.1016(3) 0.0500(6) 0.0712(18) Uani 1 d . . .
C25 C 0.0803(3) -0.0398(4) 0.0864(7) 0.0443(18) Uani 1 d . . .
O8 O 0.0454(2) 0.0085(3) 0.0317(5) 0.0439(12) Uani 1 d . . .
C7 C 0.7430(5) -0.1340(5) 0.5095(11) 0.086(3) Uani 1 d . . D
H7 H 0.7326 -0.1468 0.4170 0.103 Uiso 1 calc . . R
C8 C 0.7813(6) -0.1676(7) 0.6113(12) 0.126(5) Uani 1 d . . D
O11 O 0.6285(3) 0.2304(3) 0.4824(7) 0.0792(19) Uani 1 d . . .
H11C H 0.6678 0.2339 0.4759 0.119 Uiso 1 d . . G
H11D H 0.6072 0.2580 0.4273 0.119 Uiso 1 d . . G
O1W O 0.5605(3) 0.2230(3) 0.7250(6) 0.0827(19) Uani 1 d . . .
H1WA H 0.5808 0.2452 0.7951 0.124 Uiso 1 d . . GR
H1WB H 0.5248 0.2450 0.7051 0.124 Uiso 1 d . . GR
O12 O 0.6296(4) 0.7237(4) 0.4699(9) 0.110(3) Uani 1 d . . .
H12C H 0.6397 0.7469 0.5441 0.164 Uiso 1 d . . G
H12D H 0.6107 0.6856 0.4866 0.164 Uiso 1 d . . G


_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
Zn2 O7 2.320(7) . ?
Zn2 O6 2.054(6) . ?
Zn2 C33 2.506(7) . ?
Zn2 N5 2.052(5) 4_456 ?
Zn2 O10 1.986(4) 4_556 ?
Zn2 O8 1.965(5) 4_556 ?
Zn1 O3 2.011(4) . ?
Zn1 O1 2.006(5) . ?
Zn1 O4 1.978(5) . ?
Zn1 N6 2.087(5) . ?
Zn1 O1W 2.366(6) . ?
O3 C3 1.254(7) . ?
C20 C21 1.392(8) . ?
C20 N10 1.383(8) . ?
C20 N9 1.346(7) . ?
C2 C3 1.411(8) . ?
C2 C6 1.358(9) . ?
C2 C1 1.496(9) . ?
O1 C1 1.247(8) . ?
C5 C4 1.367(9) . ?
C5 N2 1.334(8) . ?
C5 N1 1.388(8) . ?
N8 C22 1.322(9) . ?
N8 C19 1.367(8) . ?
C22 C21 1.403(9) . ?
O4 C29 1.260(7) . ?
C16 N7 1.449(8) . ?
C16 C15 1.496(9) . ?
C4 C3 1.442(9) . ?
C4 C9 1.403(8) . ?
N7 C17 1.466(8) . ?
N7 C19 1.346(8) . ?
N3 C10 1.354(8) . ?
N3 C9 1.302(8) . ?
C32 C31 1.371(9) . ?
C32 C34 1.402(10) . ?
C32 C33 1.509(9) . ?
C24 C26 1.345(8) . ?
C24 C23 1.433(8) . ?
C24 C25 1.536(9) . ?
N2 C10 1.341(8) . ?
C31 C30 1.386(8) . ?
C17 C18 1.475(9) . ?
O5 C29 1.240(8) . ?
C10 N4 1.350(8) . ?
C26 N10 1.356(8) . ?
N6 C15 1.475(8) . ?
N6 C18 1.489(8) . ?
C21 C23 1.438(8) . ?
N10 C27 1.472(8) . ?
N9 C19 1.336(7) . ?
C27 C28 1.488(11) . ?
N1 C6 1.346(9) . ?
N1 C7 1.562(10) . ?
C1 O2 1.246(7) . ?
N4 C14 1.461(8) . ?
N4 C11 1.467(8) . ?
O7 C33 1.244(10) . ?
C34 C35 1.368(9) . ?
C29 C30 1.495(9) . ?
O6 C33 1.231(11) . ?
C30 C36 1.365(9) . ?
C36 C35 1.378(9) . ?
C23 O10 1.263(7) . ?
C12 C11 1.502(9) . ?
C12 N5 1.508(8) . ?
C14 C13 1.507(9) . ?
C13 N5 1.485(8) . ?
N5 Zn2 2.052(5) 4_553 ?
O10 Zn2 1.986(4) 4_453 ?
O9 C25 1.221(8) . ?
C25 O8 1.269(8) . ?
O8 Zn2 1.965(5) 4_453 ?
C7 C8 1.382(11) . ?

loop_
_geom_angle_atom_site_label_1
_geom_angle_atom_site_label_2
_geom_angle_atom_site_label_3
_geom_angle
_geom_angle_site_symmetry_1
_geom_angle_site_symmetry_3
_geom_angle_publ_flag
O7 Zn2 C33 29.6(3) . . ?
O6 Zn2 O7 58.7(2) . . ?
O6 Zn2 C33 29.2(3) . . ?
N5 Zn2 O7 88.8(2) 4_456 . ?
N5 Zn2 O6 139.6(2) 4_456 . ?
N5 Zn2 C33 114.7(3) 4_456 . ?
O10 Zn2 O7 159.2(2) 4_556 . ?
O10 Zn2 O6 101.9(2) 4_556 . ?
O10 Zn2 C33 130.5(3) 4_556 . ?
O10 Zn2 N5 104.70(19) 4_556 4_456 ?
O8 Zn2 O7 100.3(2) 4_556 . ?
O8 Zn2 O6 104.8(2) 4_556 . ?
O8 Zn2 C33 105.7(2) 4_556 . ?
O8 Zn2 N5 104.2(2) 4_556 4_456 ?
O8 Zn2 O10 91.74(19) 4_556 4_556 ?
O3 Zn1 N6 104.6(2) . . ?
O3 Zn1 O1W 77.78(19) . . ?
O1 Zn1 O3 88.16(18) . . ?
O1 Zn1 N6 99.0(2) . . ?
O1 Zn1 O1W 162.6(2) . . ?
O4 Zn1 O3 150.04(19) . . ?
O4 Zn1 O1 97.91(19) . . ?
O4 Zn1 N6 103.4(2) . . ?
O4 Zn1 O1W 89.6(2) . . ?
N6 Zn1 O1W 94.5(2) . . ?
C3 O3 Zn1 122.6(4) . . ?
N10 C20 C21 118.0(5) . . ?
N9 C20 C21 123.8(5) . . ?
N9 C20 N10 118.1(5) . . ?
C3 C2 C1 123.8(6) . . ?
C6 C2 C3 118.2(6) . . ?
C6 C2 C1 118.0(6) . . ?
C1 O1 Zn1 129.1(4) . . ?
C4 C5 N1 118.7(7) . . ?
N2 C5 C4 124.0(6) . . ?
N2 C5 N1 117.3(6) . . ?
C22 N8 C19 115.8(5) . . ?
N8 C22 C21 123.8(6) . . ?
C29 O4 Zn1 105.8(4) . . ?
N7 C16 C15 110.9(6) . . ?
C5 C4 C3 122.7(6) . . ?
C5 C4 C9 115.2(6) . . ?
C9 C4 C3 122.0(6) . . ?
C16 N7 C17 111.4(5) . . ?
C19 N7 C16 123.6(5) . . ?
C19 N7 C17 123.3(5) . . ?
C9 N3 C10 115.8(6) . . ?
C31 C32 C34 120.9(6) . . ?
C31 C32 C33 120.5(7) . . ?
C34 C32 C33 118.6(7) . . ?
C26 C24 C23 119.7(6) . . ?
C26 C24 C25 116.8(6) . . ?
C23 C24 C25 123.5(5) . . ?
C5 N2 C10 115.1(5) . . ?
O3 C3 C2 125.4(6) . . ?
O3 C3 C4 118.8(6) . . ?
C2 C3 C4 115.8(5) . . ?
C32 C31 C30 119.9(6) . . ?
N7 C17 C18 109.3(5) . . ?
N2 C10 N3 126.2(6) . . ?
N2 C10 N4 117.1(6) . . ?
N4 C10 N3 116.7(6) . . ?
C24 C26 N10 125.2(6) . . ?
C15 N6 Zn1 116.4(4) . . ?
C15 N6 C18 109.0(5) . . ?
C18 N6 Zn1 116.2(4) . . ?
C20 C21 C22 114.6(5) . . ?
C20 C21 C23 123.8(5) . . ?
C22 C21 C23 121.5(5) . . ?
N6 C15 C16 111.1(5) . . ?
C20 N10 C27 122.6(5) . . ?
C26 N10 C20 118.8(5) . . ?
C26 N10 C27 118.5(5) . . ?
C19 N9 C20 115.6(5) . . ?
N7 C19 N8 114.9(6) . . ?
N9 C19 N8 126.1(6) . . ?
N9 C19 N7 119.0(6) . . ?
C17 C18 N6 111.4(5) . . ?
N10 C27 C28 112.2(6) . . ?
N3 C9 C4 123.6(6) . . ?
C5 N1 C7 122.0(6) . . ?
C6 N1 C5 118.3(6) . . ?
C6 N1 C7 119.2(6) . . ?
N1 C6 C2 125.6(6) . . ?
O1 C1 C2 119.6(6) . . ?
O2 C1 C2 118.1(6) . . ?
O2 C1 O1 122.4(6) . . ?
C10 N4 C14 119.4(5) . . ?
C10 N4 C11 119.9(5) . . ?
C14 N4 C11 113.3(5) . . ?
C33 O7 Zn2 83.5(5) . . ?
C35 C34 C32 118.4(6) . . ?
O4 C29 C30 117.0(6) . . ?
O5 C29 O4 122.5(6) . . ?
O5 C29 C30 120.5(6) . . ?
C33 O6 Zn2 96.2(5) . . ?
C31 C30 C29 120.2(6) . . ?
C36 C30 C31 118.9(6) . . ?
C36 C30 C29 120.7(6) . . ?
C30 C36 C35 121.5(6) . . ?
C34 C35 C36 120.3(6) . . ?
C32 C33 Zn2 173.4(5) . . ?
O7 C33 Zn2 66.9(4) . . ?
O7 C33 C32 118.1(8) . . ?
O6 C33 Zn2 54.6(4) . . ?
O6 C33 C32 120.6(8) . . ?
O6 C33 O7 121.3(7) . . ?
C24 C23 C21 113.9(5) . . ?
O10 C23 C24 127.1(5) . . ?
O10 C23 C21 118.9(5) . . ?
C11 C12 N5 112.1(5) . . ?
N4 C14 C13 110.5(5) . . ?
N4 C11 C12 112.2(5) . . ?
N5 C13 C14 113.6(6) . . ?
C12 N5 Zn2 114.4(4) . 4_553 ?
C13 N5 Zn2 109.0(4) . 4_553 ?
C13 N5 C12 107.9(5) . . ?
C23 O10 Zn2 119.5(4) . 4_453 ?
O9 C25 C24 117.9(6) . . ?
O9 C25 O8 123.5(6) . . ?
O8 C25 C24 118.6(6) . . ?
C25 O8 Zn2 126.7(4) . 4_453 ?
C8 C7 N1 100.5(9) . . ?

_database_code_depnum_ccdc_archive 'CCDC 1004090'
