# Electronic Supplementary Material (ESI) for RSC Advances.
# This journal is © The Royal Society of Chemistry 2016

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

data_em129-cr3
_database_code_depnum_ccdc_archive 'CCDC 1507037'
_audit_update_record             
;
2016-09-27 deposited with the CCDC.
2016-11-09 downloaded from the CCDC.
;
_audit_creation_date             2015-11-04
_audit_creation_method           
;
Olex2 1.2
(compiled 2015.09.30 svn.r3233 for OlexSys, GUI svn.r5103)
;
_chemical_formula_moiety         'C18 H20 N5 O14 Y Zn'
_chemical_formula_sum            'C18 H20 N5 O14 Y Zn'
_chemical_formula_weight         685.69
loop_
_atom_type_symbol
_atom_type_scat_dispersion_real
_atom_type_scat_dispersion_imag
_atom_type_scat_Cromer_Mann_a1
_atom_type_scat_Cromer_Mann_a2
_atom_type_scat_Cromer_Mann_a3
_atom_type_scat_Cromer_Mann_a4
_atom_type_scat_Cromer_Mann_b1
_atom_type_scat_Cromer_Mann_b2
_atom_type_scat_Cromer_Mann_b3
_atom_type_scat_Cromer_Mann_b4
_atom_type_scat_Cromer_Mann_c
_atom_type_scat_source
_atom_type_scat_dispersion_source
C 0.00347 0.00161 2.31000 1.02000 1.58860 0.86500 20.84390 10.20750 0.56870
51.65120 0.215599998832
'International Tables Volume C Table 6.1.1.4 (pp. 500-502)'
'Henke, Gullikson and Davis, At. Data and Nucl. Data Tables, 1993, 54, 2'
H 0.00000 0.00000 0.49300 0.32291 0.14019 0.04081 10.51090 26.12570 3.14236
57.79970 0.0030380000826
'International Tables Volume C Table 6.1.1.4 (pp. 500-502)'
'Henke, Gullikson and Davis, At. Data and Nucl. Data Tables, 1993, 54, 2'
Zn 0.31207 1.46666 14.07430 7.03180 5.16520 2.41000 3.26550 0.23330 10.31630
58.70970 1.30410003662
'International Tables Volume C Table 6.1.1.4 (pp. 500-502)'
'Henke, Gullikson and Davis, At. Data and Nucl. Data Tables, 1993, 54, 2'
O 0.01158 0.00611 3.04850 2.28680 1.54630 0.86700 13.27710 5.70110 0.32390
32.90890 0.250800013542
'International Tables Volume C Table 6.1.1.4 (pp. 500-502)'
'Henke, Gullikson and Davis, At. Data and Nucl. Data Tables, 1993, 54, 2'
N 0.00653 0.00323 12.21260 3.13220 2.01250 1.16630 0.00570 9.89330 28.99750
0.58260 -11.5290002823
'International Tables Volume C Table 6.1.1.4 (pp. 500-502)'
'Henke, Gullikson and Davis, At. Data and Nucl. Data Tables, 1993, 54, 2'
Y -2.99864 3.60419 17.77600 10.29460 5.72629 3.26588 1.40290 12.80060 0.12560
104.35400 1.91212999821
'International Tables Volume C Table 6.1.1.4 (pp. 500-502)'
'Henke, Gullikson and Davis, At. Data and Nucl. Data Tables, 1993, 54, 2'

_space_group_crystal_system      monoclinic
_space_group_IT_number           14
_space_group_name_H-M_alt        'P 1 21/n 1'
_space_group_name_Hall           '-P 2ybc (x-z,y,z)'
loop_
_space_group_symop_id
_space_group_symop_operation_xyz
1 x,y,z
2 -x+1/2,y+1/2,-z+1/2
3 -x,-y,-z
4 x-1/2,-y-1/2,z-1/2

_symmetry_Int_Tables_number      14
_cell_length_a                   7.8023(3)
_cell_length_b                   19.2183(8)
_cell_length_c                   16.1293(6)
_cell_angle_alpha                90
_cell_angle_beta                 91.994(4)
_cell_angle_gamma                90
_cell_volume                     2417.08(17)
_cell_formula_units_Z            4
_cell_measurement_reflns_used    7357
_cell_measurement_theta_max      28.9420
_cell_measurement_theta_min      3.2990
_exptl_absorpt_coefficient_mu    3.491
_exptl_absorpt_correction_T_max  1.00000
_exptl_absorpt_correction_T_min  0.75308
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   
;
CrysAlisPro, Agilent Technologies,
Version 1.171.37.35 (release 13-08-2014 CrysAlis171 .NET)
(compiled Aug 13 2014,18:06:01)
Empirical absorption correction using spherical harmonics,
 implemented in SCALE3 ABSPACK scaling algorithm.
;
_exptl_crystal_colour            yellow
_exptl_crystal_colour_primary    yellow
_exptl_crystal_density_diffrn    1.8814
_exptl_crystal_F_000             1366.0792
_exptl_crystal_size_max          0.4
_exptl_crystal_size_mid          0.35
_exptl_crystal_size_min          0.1
_diffrn_reflns_av_R_equivalents  0.0263
_diffrn_reflns_av_unetI/netI     0.0351
_diffrn_reflns_limit_h_max       7
_diffrn_reflns_limit_h_min       -10
_diffrn_reflns_limit_k_max       21
_diffrn_reflns_limit_k_min       -25
_diffrn_reflns_limit_l_max       21
_diffrn_reflns_limit_l_min       -20
_diffrn_reflns_number            14130
_diffrn_reflns_theta_full        29.3137
_diffrn_reflns_theta_max         29.31
_diffrn_reflns_theta_min         2.74
_diffrn_ambient_temperature      293
_diffrn_detector                 'CCD plate'
_diffrn_detector_area_resol_mean 8.2634
_diffrn_detector_type            Onyx
_diffrn_measured_fraction_theta_full 0.8594
_diffrn_measured_fraction_theta_max 0.8594
_diffrn_measurement_details      
;
#__ type_ start__ end____ width___ exp.time_
  1 omega  -61.00   35.00   1.0000   50.0000
omega____ theta____ kappa____ phi______ frames
    -        8.1858  -57.0000 -150.0000 96

#__ type_ start__ end____ width___ exp.time_
  2 omega  -74.00   19.00   1.0000   50.0000
omega____ theta____ kappa____ phi______ frames
    -       -9.7483  -77.0000  -30.0000 93
;
_diffrn_measurement_device       'four-circle diffractometer'
_diffrn_measurement_device_type  'Xcalibur, Onyx'
_diffrn_measurement_method       'ω scans'
_diffrn_orient_matrix_UB_11      0.0747398000
_diffrn_orient_matrix_UB_12      0.0105316000
_diffrn_orient_matrix_UB_13      -0.0206148000
_diffrn_orient_matrix_UB_21      -0.0312770000
_diffrn_orient_matrix_UB_22      0.0346170000
_diffrn_orient_matrix_UB_23      -0.0018352000
_diffrn_orient_matrix_UB_31      0.0416160000
_diffrn_orient_matrix_UB_32      0.0072449000
_diffrn_orient_matrix_UB_33      0.0387701000
_diffrn_radiation_monochromator  graphite
_diffrn_radiation_probe          x-ray
_diffrn_radiation_type           'Mo K\a'
_diffrn_radiation_wavelength     0.71073
_diffrn_source                   'Enhance (Mo) X-ray Source'
_reflns_Friedel_coverage         0.0
_reflns_limit_h_max              8
_reflns_limit_h_min              -10
_reflns_limit_k_max              25
_reflns_limit_k_min              0
_reflns_limit_l_max              21
_reflns_limit_l_min              -7
_reflns_number_gt                4875
_reflns_number_total             5697
_reflns_odcompleteness_completeness 99.82
_reflns_odcompleteness_iscentric 1
_reflns_odcompleteness_theta     26.32
_reflns_threshold_expression     I>=2u(I)
_computing_cell_refinement       
;
CrysAlisPro, Agilent Technologies,
Version 1.171.37.35 (release 13-08-2014 CrysAlis171 .NET)
(compiled Aug 13 2014,18:06:01)
;
_computing_data_collection       
;
CrysAlisPro, Agilent Technologies,
Version 1.171.37.35 (release 13-08-2014 CrysAlis171 .NET)
(compiled Aug 13 2014,18:06:01)
;
_computing_data_reduction        
;
CrysAlisPro, Agilent Technologies,
Version 1.171.37.35 (release 13-08-2014 CrysAlis171 .NET)
(compiled Aug 13 2014,18:06:01)
;
_computing_molecular_graphics    'Olex2 (Dolomanov et al., 2009)'
_computing_publication_material  'Olex2 (Dolomanov et al., 2009)'
_computing_structure_refinement  'olex2.refine (Bourhis et al., 2015)'
_computing_structure_solution    
;
Superflip (Palatinus & Chapuis, 2007;Palatinus & van der Lee, 2008;
Palatinus et al., 2012)
;
_refine_diff_density_max         0.8600
_refine_diff_density_min         -1.0290
_refine_diff_density_rms         0.1195
_refine_ls_d_res_high            0.7258
_refine_ls_d_res_low             7.4326
_refine_ls_goodness_of_fit_ref   1.0509
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_constraints    33
_refine_ls_number_parameters     299
_refine_ls_number_reflns         5697
_refine_ls_number_restraints     0
_refine_ls_R_factor_all          0.0474
_refine_ls_R_factor_gt           0.0368
_refine_ls_restrained_S_all      1.0509
_refine_ls_shift/su_max          0.0004
_refine_ls_shift/su_mean         0.0001
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details     
'w=1/[σ²(Fo²)+(0.0429P)²+2.7986P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0915
_refine_ls_wR_factor_ref         0.0982
_olex2_refinement_description    
;
1. Fixed Uiso
 At 1.2 times of:
  All C(H) groups, All C(H,H) groups
 At 1.5 times of:
  All C(H,H,H) groups, All O(H,H) groups
2.a Free rotating group:
 O1W(H1Wa,H1Wb,O3,O4,O5,O6,O7,O8,O9,O10,O11,O12,O13,N1,N2,N3,N4,N5,C1,C2,C3)
2.b Secondary CH2 refined with riding coordinates:
 C8(H8a,H8b), C9(H9a,H9b)
2.c Aromatic/amide H refined with riding coordinates:
 C3(H3), C4(H4), C5(H5), C7(H7), C10(H10), C12(H12), C13(H13), C14(H14)
2.d Idealised Me refined as rotating group:
 C18(H18a,H18b,H18c), C17(H17a,H17b,H17c)
;
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_refinement_flags_posn
_atom_site_disorder_group
Y Y 0.55484(4) 0.663097(14) 0.214216(17) 0.02306(9) Uani 1.000000 . .
Zn Zn 0.68229(5) 0.814805(19) 0.31082(2) 0.02966(11) Uani 1.000000 . .
O1 O 0.5929(3) 0.71877(12) 0.33883(13) 0.0361(5) Uani 1.000000 . .
O2 O 0.4541(3) 0.59780(11) 0.33625(14) 0.0358(5) Uani 1.000000 . .
O1W O 0.28141(8) 0.70981(5) 0.21876(6) 0.0484(7) Uani 1.000000 . .
H1Wa H 0.19836(9) 0.68329(5) 0.20447(7) 0.0726(10) Uiso 1.000000 G 2
H1Wb H 0.24346(9) 0.74501(5) 0.24424(7) 0.0726(10) Uiso 1.000000 G 2
O3 O 0.60181(10) 0.77836(3) 0.20002(5) 0.0324(5) Uani 1.000000 G .
O4 O 0.56535(13) 0.70924(5) 0.06738(4) 0.0404(6) Uani 1.000000 G .
O5 O 0.78465(10) 0.59501(4) 0.28681(5) 0.0454(6) Uani 1.000000 G .
O6 O 1.05319(10) 0.60824(5) 0.26654(7) 0.0585(8) Uani 1.000000 G .
O7 O 0.86127(9) 0.66319(4) 0.18973(5) 0.0455(6) Uani 1.000000 G .
O8 O 0.60618(12) 0.55645(4) 0.13749(6) 0.0489(6) Uani 1.000000 G .
O9 O 0.34530(11) 0.58814(5) 0.14514(6) 0.0532(7) Uani 1.000000 G .
O10 O 0.40346(16) 0.49351(5) 0.07983(7) 0.0616(8) Uani 1.000000 G .
O11 O 0.93911(10) 0.78929(4) 0.30281(6) 0.0516(7) Uani 1.000000 G .
O12 O 0.94947(14) 0.89889(4) 0.28122(7) 0.0840(12) Uani 1.000000 G .
O13 O 1.17979(11) 0.83870(6) 0.27738(8) 0.0688(9) Uani 1.000000 G .
N1 N 0.64098(14) 0.84561(5) 0.42887(6) 0.0356(6) Uani 1.000000 G .
N2 N 0.56334(14) 0.90665(4) 0.28455(7) 0.0366(6) Uani 1.000000 G .
N3 N 0.90320(9) 0.62179(4) 0.24868(6) 0.0369(6) Uani 1.000000 G .
N4 N 0.44915(13) 0.54352(4) 0.11923(6) 0.0410(7) Uani 1.000000 G .
N5 N 1.02489(11) 0.84254(5) 0.28666(7) 0.0426(7) Uani 1.000000 G .
C1 C 0.54128(12) 0.69710(5) 0.41092(4) 0.0296(7) Uani 1.000000 G .
C2 C 0.46931(13) 0.62903(5) 0.41334(5) 0.0312(7) Uani 1.000000 G .
C3 C 0.42056(17) 0.59929(7) 0.48641(6) 0.0407(8) Uani 1.000000 G .
H3 H 0.37754(17) 0.55417(7) 0.48693(6) 0.0488(10) Uiso 1.000000 R .
C4 C 0.4363(5) 0.6374(2) 0.5594(2) 0.0456(9) Uani 1.000000 . .
H4 H 0.4070(5) 0.6170(2) 0.6092(2) 0.0548(11) Uiso 1.000000 R .
C5 C 0.4943(5) 0.7043(2) 0.5590(2) 0.0420(8) Uani 1.000000 . .
H5 H 0.4993(5) 0.7297(2) 0.6082(2) 0.0504(10) Uiso 1.000000 R .
C6 C 0.5464(4) 0.73550(18) 0.4853(2) 0.0339(7) Uani 1.000000 . .
C7 C 0.5858(5) 0.80951(19) 0.4886(2) 0.0368(8) Uani 1.000000 . .
H7 H 0.5693(5) 0.83236(19) 0.5385(2) 0.0441(9) Uiso 1.000000 R .
C8 C 0.6460(5) 0.92165(19) 0.4315(2) 0.0445(9) Uani 1.000000 . .
H8a H 0.6027(5) 0.93825(19) 0.4836(2) 0.0534(11) Uiso 1.000000 R .
H8b H 0.7629(5) 0.93793(19) 0.4269(2) 0.0534(11) Uiso 1.000000 R .
C9 C 0.5340(6) 0.94892(19) 0.3588(2) 0.0472(9) Uani 1.000000 . .
H9a H 0.5622(6) 0.99715(19) 0.3480(2) 0.0566(11) Uiso 1.000000 R .
H9b H 0.4141(6) 0.94654(19) 0.3725(2) 0.0566(11) Uiso 1.000000 R .
C10 C 0.5107(4) 0.92759(18) 0.2130(2) 0.0375(8) Uani 1.000000 . .
H10 H 0.4682(4) 0.97272(18) 0.2091(2) 0.0450(9) Uiso 1.000000 R .
C11 C 0.5116(4) 0.88698(17) 0.1370(2) 0.0347(7) Uani 1.000000 . .
C12 C 0.4605(5) 0.9197(2) 0.0625(2) 0.0456(9) Uani 1.000000 . .
H12 H 0.4350(5) 0.9670(2) 0.0630(2) 0.0547(11) Uiso 1.000000 R .
C13 C 0.4472(5) 0.8843(2) -0.0107(2) 0.0502(10) Uani 1.000000 . .
H13 H 0.4148(5) 0.9076(2) -0.0592(2) 0.0602(12) Uiso 1.000000 R .
C14 C 0.4820(5) 0.8132(2) -0.0130(2) 0.0452(9) Uani 1.000000 . .
H14 H 0.4727(5) 0.7886(2) -0.0626(2) 0.0542(11) Uiso 1.000000 R .
C15 C 0.5304(4) 0.78038(18) 0.0596(2) 0.0343(7) Uani 1.000000 . .
C16 C 0.5503(4) 0.81601(17) 0.13449(19) 0.0311(7) Uani 1.000000 . .
C18 C 0.4279(8) 0.5244(2) 0.3348(3) 0.0712(15) Uani 1.000000 . .
H18a H 0.428(5) 0.5081(4) 0.2786(3) 0.107(2) Uiso 1.000000 GR .
H18b H 0.519(3) 0.5019(2) 0.3664(19) 0.107(2) Uiso 1.000000 GR .
H18c H 0.320(2) 0.5137(3) 0.359(2) 0.107(2) Uiso 1.000000 GR .
C17 C 0.6022(6) 0.6719(2) -0.0063(2) 0.0516(10) Uani 1.000000 . .
H17a H 0.660(3) 0.6292(7) 0.0081(2) 0.0773(15) Uiso 1.000000 GR .
H17b H 0.4971(6) 0.6617(14) -0.0366(9) 0.0773(15) Uiso 1.000000 GR .
H17c H 0.675(3) 0.6997(6) -0.0401(9) 0.0773(15) Uiso 1.000000 GR .


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
Y Zn 3.4365(5) . ?
Y O1 2.287(2) . ?
Y O2 2.485(2) . ?
Y O1W 2.3181(7) . ?
Y O3 2.2582(7) . ?
Y O4 2.5329(8) . ?
Y O5 2.4804(7) . ?
Y O7 2.4368(7) . ?
Y O8 2.4346(7) . ?
Y O9 2.4213(7) . ?
Y N3 2.8674(7) . ?
Y N4 2.8671(7) . ?
Zn O1 2.030(2) . ?
Zn O3 2.0001(8) . ?
Zn O11 2.0713(9) . ?
Zn N1 2.0304(8) . ?
Zn N2 2.0320(9) . ?
O1 C1 1.312(2) . ?
O2 C2 1.382(2) . ?
O2 C18 1.426(4) . ?
O3 C16 1.331(3) . ?
O4 C15 1.399(4) . ?
O4 C17 1.426(4) . ?
O5 N3 1.2403 . ?
O6 N3 1.2235 . ?
O7 N3 1.2738 . ?
O8 N4 1.2746 . ?
O9 N4 1.2610 . ?
O10 N4 1.1995 . ?
O11 N5 1.2551 . ?
O12 N5 1.2342 . ?
O13 N5 1.2252 . ?
N1 C7 1.274(4) . ?
N1 C8 1.462(4) . ?
N2 C9 1.472(4) . ?
N2 C10 1.277(4) . ?
C1 C2 1.4247 . ?
C1 C6 1.407(3) . ?
C2 C3 1.3753 . ?
C3 C4 1.389(4) . ?
C4 C5 1.363(6) . ?
C5 C6 1.405(5) . ?
C6 C7 1.456(5) . ?
C8 C9 1.531(5) . ?
C10 C11 1.453(5) . ?
C11 C12 1.402(5) . ?
C11 C16 1.398(5) . ?
C12 C13 1.364(6) . ?
C13 C14 1.392(6) . ?
C14 C15 1.372(5) . ?
C15 C16 1.392(5) . ?

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
O1 Y Zn 34.71(5) . . ?
O2 Y Zn 99.43(5) . . ?
O2 Y O1 64.85(8) . . ?
O1W Y Zn 84.79(2) . . ?
O1W Y O1 83.26(7) . . ?
O1W Y O2 81.59(6) . . ?
O3 Y Zn 33.73(2) . . ?
O3 Y O1 67.27(6) . . ?
O3 Y O2 129.24(6) . . ?
O3 Y O1W 77.06(2) . . ?
O4 Y Zn 96.24(2) . . ?
O4 Y O1 130.58(6) . . ?
O4 Y O2 159.87(6) . . ?
O4 Y O1W 87.35(2) . . ?
O4 Y O3 63.328(19) . . ?
O5 Y Zn 92.32(2) . . ?
O5 Y O1 76.25(6) . . ?
O5 Y O2 66.61(6) . . ?
O5 Y O1W 147.18(3) . . ?
O5 Y O3 116.63(3) . . ?
O5 Y O4 125.43(3) . . ?
O7 Y Zn 78.627(19) . . ?
O7 Y O1 92.52(6) . . ?
O7 Y O2 117.90(6) . . ?
O7 Y O1W 156.08(3) . . ?
O7 Y O3 79.59(2) . . ?
O7 Y O4 77.55(2) . . ?
O7 Y O5 51.659(15) . . ?
O8 Y Zn 153.46(3) . . ?
O8 Y O1 145.27(6) . . ?
O8 Y O2 92.27(6) . . ?
O8 Y O1W 120.66(3) . . ?
O8 Y O3 138.08(3) . . ?
O8 Y O4 78.94(2) . . ?
O8 Y O5 70.54(2) . . ?
O8 Y O7 74.84(2) . . ?
O9 Y Zn 153.32(3) . . ?
O9 Y O1 138.39(6) . . ?
O9 Y O2 80.62(6) . . ?
O9 Y O1W 68.749(19) . . ?
O9 Y O3 130.27(3) . . ?
O9 Y O4 79.71(2) . . ?
O9 Y O5 111.64(3) . . ?
O9 Y O7 125.20(3) . . ?
O9 Y O8 52.095(14) . . ?
N3 Y Zn 83.662(18) . . ?
N3 Y O1 82.29(6) . . ?
N3 Y O2 91.74(6) . . ?
N3 Y O1W 165.54(3) . . ?
N3 Y O3 97.77(2) . . ?
N3 Y O4 102.53(3) . . ?
N3 Y O5 25.527(7) . . ?
N3 Y O7 26.213(8) . . ?
N3 Y O8 72.172(19) . . ?
N3 Y O9 123.01(3) . . ?
N4 Y Zn 174.64(2) . . ?
N4 Y O1 150.53(6) . . ?
N4 Y O2 85.73(6) . . ?
N4 Y O1W 94.56(2) . . ?
N4 Y O3 140.96(3) . . ?
N4 Y O4 78.408(19) . . ?
N4 Y O5 91.10(2) . . ?
N4 Y O7 100.34(3) . . ?
N4 Y O8 26.229(7) . . ?
N4 Y O9 25.869(7) . . ?
N4 Y N3 97.74(2) . . ?
O1 Zn Y 39.93(6) . . ?
O3 Zn Y 38.82(2) . . ?
O3 Zn O1 77.34(7) . . ?
O11 Zn Y 92.07(2) . . ?
O11 Zn O1 98.00(7) . . ?
O11 Zn O3 97.80(4) . . ?
N1 Zn Y 128.30(3) . . ?
N1 Zn O1 89.39(7) . . ?
N1 Zn O3 152.24(5) . . ?
N1 Zn O11 108.24(4) . . ?
N2 Zn Y 121.30(3) . . ?
N2 Zn O1 132.72(8) . . ?
N2 Zn O3 89.48(4) . . ?
N2 Zn O11 128.93(4) . . ?
N2 Zn N1 81.72(3) . . ?
Zn O1 Y 105.36(9) . . ?
C1 O1 Y 126.59(14) . . ?
C1 O1 Zn 127.20(15) . . ?
C2 O2 Y 118.28(13) . . ?
C18 O2 Y 122.4(2) . . ?
C18 O2 C2 116.9(2) . . ?
Zn O3 Y 107.45(3) . . ?
C16 O3 Y 124.61(15) . . ?
C16 O3 Zn 126.57(15) . . ?
C15 O4 Y 114.41(14) . . ?
C17 O4 Y 128.13(18) . . ?
C17 O4 C15 117.5(2) . . ?
N3 O5 Y 94.953(17) . . ?
N3 O7 Y 96.115(18) . . ?
N4 O8 Y 96.185(17) . . ?
N4 O9 Y 97.222(18) . . ?
N5 O11 Zn 110.12(2) . . ?
C7 N1 Zn 128.26(16) . . ?
C8 N1 Zn 108.29(16) . . ?
C8 N1 C7 122.1(2) . . ?
C9 N2 Zn 113.12(16) . . ?
C10 N2 Zn 126.33(17) . . ?
C10 N2 C9 120.5(2) . . ?
O5 N3 Y 59.520(15) . . ?
O6 N3 Y 175.607(14) . . ?
O6 N3 O5 121.2 . . ?
O7 N3 Y 57.672(15) . . ?
O7 N3 O5 116.9 . . ?
O7 N3 O6 121.8 . . ?
O8 N4 Y 57.586(15) . . ?
O9 N4 Y 56.908(15) . . ?
O9 N4 O8 114.5 . . ?
O10 N4 Y 179.384(15) . . ?
O10 N4 O8 123.0 . . ?
O10 N4 O9 122.5 . . ?
O12 N5 O11 118.3 . . ?
O13 N5 O11 120.8 . . ?
O13 N5 O12 120.9 . . ?
C2 C1 O1 116.70(10) . . ?
C6 C1 O1 126.04(18) . . ?
C6 C1 C2 117.24(14) . . ?
C1 C2 O2 113.31(9) . . ?
C3 C2 O2 124.95(9) . . ?
C3 C2 C1 121.7 . . ?
C4 C3 C2 119.22(16) . . ?
C5 C4 C3 120.9(3) . . ?
C6 C5 C4 120.8(3) . . ?
C5 C6 C1 119.8(3) . . ?
C7 C6 C1 122.9(3) . . ?
C7 C6 C5 116.9(3) . . ?
C6 C7 N1 125.5(3) . . ?
C9 C8 N1 107.8(3) . . ?
C8 C9 N2 109.5(3) . . ?
C11 C10 N2 125.6(3) . . ?
C12 C11 C10 118.2(3) . . ?
C16 C11 C10 123.8(3) . . ?
C16 C11 C12 117.9(3) . . ?
C13 C12 C11 121.9(4) . . ?
C14 C13 C12 120.3(3) . . ?
C15 C14 C13 118.4(3) . . ?
C14 C15 O4 125.0(3) . . ?
C16 C15 O4 112.8(3) . . ?
C16 C15 C14 122.2(3) . . ?
C11 C16 O3 124.5(3) . . ?
C15 C16 O3 116.3(3) . . ?
C15 C16 C11 119.2(3) . . ?

_olex2_submission_special_instructions 'No special instructions were received'
