# Electronic Supplementary Material (ESI) for ChemComm.
# 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_zn-bmp-bdc-dmf
_database_code_depnum_ccdc_archive 'CCDC 1460747'
_audit_update_record             
;
2016-03-08 deposited with the CCDC.
2016-07-19 downloaded from the CCDC.
;
_audit_creation_date             2016-03-08
_audit_creation_method           
;
Olex2 1.2
(compiled 2016.02.16 svn.r3265 for OlexSys, GUI svn.r5155)
;
_chemical_name_common            ?
_chemical_name_systematic        Zn(BMP-bdc)(DMF)
_chemical_formula_moiety         'C19 H27 N O9 Zn'
_chemical_formula_sum            'C19 H27 N O9 Zn'
_chemical_formula_weight         478.78
_chemical_melting_point          ?
_chemical_oxdiff_formula         'C12 H10 S O2'
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'

_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.
;
_space_group_crystal_system      triclinic
_space_group_IT_number           2
_space_group_name_H-M_alt        'P -1'
_space_group_name_Hall           '-P 1'
loop_
_space_group_symop_operation_xyz
'x, y, z'
'-x, -y, -z'

_cell_length_a                   10.4273(6)
_cell_length_b                   10.8211(5)
_cell_length_c                   10.8805(3)
_cell_angle_alpha                85.208(3)
_cell_angle_beta                 74.992(3)
_cell_angle_gamma                67.508(5)
_cell_volume                     1095.45(9)
_cell_formula_units_Z            2
_cell_measurement_reflns_used    4861
_cell_measurement_temperature    108(2)
_cell_measurement_theta_max      28.7906
_cell_measurement_theta_min      3.2489
_shelx_estimated_absorpt_T_max   ?
_shelx_estimated_absorpt_T_min   ?
_exptl_absorpt_coefficient_mu    1.170
_exptl_absorpt_correction_T_max  1.00000
_exptl_absorpt_correction_T_min  0.99140
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   
;
CrysAlisPro, Oxford Diffraction Ltd.,
Version 1.171.33.48 (release 15-09-2009 CrysAlis171 .NET)
(compiled Sep 15 2009,11:49:04)
Empirical absorption correction using spherical harmonics,
 implemented in SCALE3 ABSPACK scaling algorithm.
;
_exptl_absorpt_special_details   ?
_exptl_crystal_colour            colourless
_exptl_crystal_colour_primary    colourless
_exptl_crystal_density_diffrn    1.452
_exptl_crystal_density_meas      ?
_exptl_crystal_density_method    ?
_exptl_crystal_description       prism
_exptl_crystal_F_000             500
_exptl_crystal_size_max          0.25
_exptl_crystal_size_mid          0.2
_exptl_crystal_size_min          0.15
_exptl_transmission_factor_max   ?
_exptl_transmission_factor_min   ?
_diffrn_reflns_av_R_equivalents  0.0167
_diffrn_reflns_av_unetI/netI     0.0423
_diffrn_reflns_Laue_measured_fraction_full 0.998
_diffrn_reflns_Laue_measured_fraction_max 0.844
_diffrn_reflns_limit_h_max       13
_diffrn_reflns_limit_h_min       -12
_diffrn_reflns_limit_k_max       13
_diffrn_reflns_limit_k_min       -11
_diffrn_reflns_limit_l_max       14
_diffrn_reflns_limit_l_min       -8
_diffrn_reflns_number            7710
_diffrn_reflns_point_group_measured_fraction_full 0.998
_diffrn_reflns_point_group_measured_fraction_max 0.844
_diffrn_reflns_theta_full        26.000
_diffrn_reflns_theta_max         28.854
_diffrn_reflns_theta_min         3.257
_diffrn_ambient_temperature      108(2)
_diffrn_detector_area_resol_mean 8.4171
_diffrn_measured_fraction_theta_full 0.998
_diffrn_measured_fraction_theta_max 0.844
_diffrn_measurement_details      
;
#__ type_ start__ end____ width___ exp.time_
  1 omega  -73.00  111.00   1.0000   25.0800
omega____ theta____ kappa____ phi______ frames
    -       20.6944    6.0000   97.0000 184

#__ type_ start__ end____ width___ exp.time_
  2 omega   62.00  120.00   1.0000   25.0800
omega____ theta____ kappa____ phi______ frames
    -       20.6944  179.0000  120.0000 58

#__ type_ start__ end____ width___ exp.time_
  3 omega   59.00   95.00   1.0000   25.0800
omega____ theta____ kappa____ phi______ frames
    -       20.6944  179.0000 -150.0000 36

#__ type_ start__ end____ width___ exp.time_
  4 omega -100.00  -56.00   1.0000   25.0800
omega____ theta____ kappa____ phi______ frames
    -      -24.4444  179.0000 -180.0000 44

#__ type_ start__ end____ width___ exp.time_
  5 omega -121.00  -54.00   1.0000   25.0800
omega____ theta____ kappa____ phi______ frames
    -      -24.4444  179.0000   90.0000 67
;
_diffrn_measurement_device_type  'Xcalibur, Sapphire2, large Be window'
_diffrn_measurement_method       'ω scans'
_diffrn_orient_matrix_UB_11      -0.0617112092
_diffrn_orient_matrix_UB_12      -0.0151606386
_diffrn_orient_matrix_UB_13      0.0057639801
_diffrn_orient_matrix_UB_21      0.0423792643
_diffrn_orient_matrix_UB_22      -0.0693019569
_diffrn_orient_matrix_UB_23      -0.0009521555
_diffrn_orient_matrix_UB_31      -0.0128323164
_diffrn_orient_matrix_UB_32      0.0015086088
_diffrn_orient_matrix_UB_33      0.0672358759
_diffrn_radiation_monochromator  graphite
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_source                   'Enhance (Mo) X-ray Source'
_reflns_Friedel_coverage         0.000
_reflns_Friedel_fraction_full    .
_reflns_Friedel_fraction_max     .
_reflns_number_gt                3981
_reflns_number_total             4844
_reflns_odcompleteness_completeness 99.64
_reflns_odcompleteness_iscentric 1
_reflns_odcompleteness_theta     26.32
_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.
;
_reflns_threshold_expression     'I > 2σ(I)'
_computing_cell_refinement       
;
CrysAlisPro, Oxford Diffraction Ltd.,
Version 1.171.33.48 (release 15-09-2009 CrysAlis171 .NET)
(compiled Sep 15 2009,11:49:04)
;
_computing_data_collection       
;
CrysAlisPro, Oxford Diffraction Ltd.,
Version 1.171.33.48 (release 15-09-2009 CrysAlis171 .NET)
(compiled Sep 15 2009,11:49:04)
;
_computing_data_reduction        
;
CrysAlisPro, Oxford Diffraction Ltd.,
Version 1.171.33.48 (release 15-09-2009 CrysAlis171 .NET)
(compiled Sep 15 2009,11:49:04)
;
_computing_molecular_graphics    'Olex2 (Dolomanov et al., 2009)'
_computing_publication_material  'Olex2 (Dolomanov et al., 2009)'
_computing_structure_refinement  'ShelXL (Sheldrick, 2015)'
_computing_structure_solution    'ShelXS (Sheldrick, 2008)'
_refine_diff_density_max         0.428
_refine_diff_density_min         -0.255
_refine_diff_density_rms         0.064
_refine_ls_extinction_coef       .
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   0.962
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     275
_refine_ls_number_reflns         4844
_refine_ls_number_restraints     0
_refine_ls_R_factor_all          0.0331
_refine_ls_R_factor_gt           0.0256
_refine_ls_restrained_S_all      0.962
_refine_ls_shift/su_max          0.001
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details     
'w=1/[σ²(Fo²)+(0.0284P)²] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0550
_refine_ls_wR_factor_ref         0.0558
_refine_special_details          ?
_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
2.a Secondary CH2 refined with riding coordinates:
 C5(H5A,H5B), C6(H6A,H6B), C7(H7A,H7B), C13(H13A,H13B), C14(H14A,H14B),
 C15(H15A,H15B)
2.b Aromatic/amide H refined with riding coordinates:
 C2(H2), C10(H10), C17(H17)
2.c Idealised Me refined as rotating group:
 C8(H8A,H8B,H8C), C16(H16A,H16B,H16C), C18(H18A,H18B,H18C), C19(H19A,H19B,H19C)
;
_atom_sites_solution_hydrogens   geom
_atom_sites_solution_primary     direct
_atom_sites_solution_secondary   ?
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
Zn1 Zn 0.15760(2) 0.44555(2) 0.96375(2) 0.00992(6) Uani 1 1 d . . . . .
O1 O 0.10284(13) 0.64693(11) 0.95659(11) 0.0216(3) Uani 1 1 d . . . . .
O2 O -0.13677(13) 0.73509(12) 1.00593(11) 0.0217(3) Uani 1 1 d . . . . .
O3 O 0.03350(12) 0.88521(11) 0.77035(10) 0.0169(3) Uani 1 1 d . . . . .
O4 O 0.37561(15) 0.68915(14) 0.59966(13) 0.0371(4) Uani 1 1 d . . . . .
O5 O 0.10760(13) 0.44907(12) 0.79702(10) 0.0234(3) Uani 1 1 d . . . . .
O6 O -0.13158(13) 0.53980(13) 0.84501(10) 0.0251(3) Uani 1 1 d . . . . .
O7 O 0.16213(12) 0.26467(12) 0.60015(10) 0.0186(3) Uani 1 1 d . . . . .
O8 O 0.57430(14) -0.00148(14) 0.74914(12) 0.0337(3) Uani 1 1 d . . . . .
O9 O 0.36984(12) 0.38115(12) 0.91820(10) 0.0162(2) Uani 1 1 d . . . . .
N1 N 0.57085(15) 0.26252(16) 0.98371(13) 0.0236(3) Uani 1 1 d . . . . .
C1 C -0.01612(18) 0.74229(16) 0.98346(14) 0.0133(3) Uani 1 1 d . . . . .
C2 C -0.03107(17) 0.93127(16) 1.11106(14) 0.0145(3) Uani 1 1 d . . . . .
H2 H -0.0525 0.8842 1.1863 0.017 Uiso 1 1 calc R . . . .
C3 C -0.01092(17) 0.87776(16) 0.99193(14) 0.0131(3) Uani 1 1 d . . . . .
C4 C 0.01953(17) 0.94670(16) 0.88138(14) 0.0137(3) Uani 1 1 d . . . . .
C5 C 0.1099(2) 0.92318(18) 0.65359(15) 0.0213(4) Uani 1 1 d . . . . .
H5A H 0.1974 0.9315 0.6651 0.026 Uiso 1 1 calc R . . . .
H5B H 0.0490 1.0101 0.6251 0.026 Uiso 1 1 calc R . . . .
C6 C 0.1486(2) 0.81346(19) 0.55705(16) 0.0256(4) Uani 1 1 d . . . . .
H6A H 0.0598 0.8059 0.5480 0.031 Uiso 1 1 calc R . . . .
H6B H 0.1972 0.8379 0.4733 0.031 Uiso 1 1 calc R . . . .
C7 C 0.2452(2) 0.6799(2) 0.59499(18) 0.0332(5) Uani 1 1 d . . . . .
H7A H 0.1985 0.6552 0.6794 0.040 Uiso 1 1 calc R . . . .
H7B H 0.2639 0.6100 0.5323 0.040 Uiso 1 1 calc R . . . .
C8 C 0.4577(3) 0.5791(2) 0.6633(2) 0.0504(7) Uani 1 1 d . . . . .
H8A H 0.4811 0.4958 0.6179 0.076 Uiso 1 1 calc GR . . . .
H8B H 0.4023 0.5761 0.7505 0.076 Uiso 1 1 calc GR . . . .
H8C H 0.5464 0.5895 0.6654 0.076 Uiso 1 1 calc GR . . . .
C9 C -0.01073(19) 0.49252(16) 0.76896(14) 0.0160(4) Uani 1 1 d . . . . .
C10 C -0.09279(18) 0.60729(17) 0.57931(14) 0.0164(4) Uani 1 1 d . . . . .
H10 H -0.1571 0.6807 0.6342 0.020 Uiso 1 1 calc R . . . .
C11 C -0.00724(17) 0.49252(17) 0.62991(14) 0.0146(3) Uani 1 1 d . . . . .
C12 C 0.08585(18) 0.38363(17) 0.54969(14) 0.0149(3) Uani 1 1 d . . . . .
C13 C 0.31043(18) 0.24224(18) 0.58411(16) 0.0219(4) Uani 1 1 d . . . . .
H13A H 0.3201 0.3248 0.6057 0.026 Uiso 1 1 calc R . . . .
H13B H 0.3636 0.2168 0.4946 0.026 Uiso 1 1 calc R . . . .
C14 C 0.37017(19) 0.13034(18) 0.67198(16) 0.0219(4) Uani 1 1 d . . . . .
H14A H 0.3134 0.1554 0.7607 0.026 Uiso 1 1 calc R . . . .
H14B H 0.3612 0.0481 0.6485 0.026 Uiso 1 1 calc R . . . .
C15 C 0.52513(19) 0.10265(19) 0.66409(16) 0.0236(4) Uani 1 1 d . . . . .
H15A H 0.5831 0.0756 0.5761 0.028 Uiso 1 1 calc R . . . .
H15B H 0.5352 0.1845 0.6872 0.028 Uiso 1 1 calc R . . . .
C16 C 0.7196(2) -0.0335(2) 0.74504(19) 0.0322(5) Uani 1 1 d . . . . .
H16A H 0.7778 -0.0631 0.6587 0.048 Uiso 1 1 calc GR . . . .
H16B H 0.7497 -0.1054 0.8047 0.048 Uiso 1 1 calc GR . . . .
H16C H 0.7322 0.0457 0.7689 0.048 Uiso 1 1 calc GR . . . .
C17 C 0.43582(18) 0.29365(18) 0.98639(16) 0.0216(4) Uani 1 1 d . . . . .
H17 H 0.3849 0.2471 1.0434 0.026 Uiso 1 1 calc R . . . .
C18 C 0.6554(2) 0.3297(2) 0.89892(19) 0.0323(5) Uani 1 1 d . . . . .
H18A H 0.7319 0.2651 0.8363 0.048 Uiso 1 1 calc GR . . . .
H18B H 0.6977 0.3682 0.9486 0.048 Uiso 1 1 calc GR . . . .
H18C H 0.5937 0.4012 0.8547 0.048 Uiso 1 1 calc GR . . . .
C19 C 0.6413(2) 0.1600(2) 1.06713(19) 0.0395(6) Uani 1 1 d . . . . .
H19A H 0.5732 0.1221 1.1181 0.059 Uiso 1 1 calc GR . . . .
H19B H 0.6744 0.2005 1.1238 0.059 Uiso 1 1 calc GR . . . .
H19C H 0.7234 0.0890 1.0153 0.059 Uiso 1 1 calc GR . . . .


_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 Zn1 2.9433(4) 2_567 ?
Zn1 O1 2.0306(12) . ?
Zn1 O2 2.0389(12) 2_567 ?
Zn1 O5 2.0068(10) . ?
Zn1 O6 2.0392(11) 2_567 ?
Zn1 O9 1.9846(11) . ?
O1 C1 1.2538(19) . ?
O2 Zn1 2.0389(12) 2_567 ?
O2 C1 1.249(2) . ?
O3 C4 1.3757(18) . ?
O3 C5 1.4339(19) . ?
O4 C7 1.415(3) . ?
O4 C8 1.421(2) . ?
O5 C9 1.251(2) . ?
O6 Zn1 2.0392(11) 2_567 ?
O6 C9 1.254(2) . ?
O7 C12 1.3842(19) . ?
O7 C13 1.436(2) . ?
O8 C15 1.421(2) . ?
O8 C16 1.408(2) . ?
O9 C17 1.2526(19) . ?
N1 C17 1.309(2) . ?
N1 C18 1.454(2) . ?
N1 C19 1.465(2) . ?
C1 C3 1.499(2) . ?
C2 H2 0.9500 . ?
C2 C3 1.397(2) . ?
C2 C4 1.382(2) 2_577 ?
C3 C4 1.392(2) . ?
C4 C2 1.382(2) 2_577 ?
C5 H5A 0.9900 . ?
C5 H5B 0.9900 . ?
C5 C6 1.516(2) . ?
C6 H6A 0.9900 . ?
C6 H6B 0.9900 . ?
C6 C7 1.508(3) . ?
C7 H7A 0.9900 . ?
C7 H7B 0.9900 . ?
C8 H8A 0.9800 . ?
C8 H8B 0.9800 . ?
C8 H8C 0.9800 . ?
C9 C11 1.504(2) . ?
C10 H10 0.9500 . ?
C10 C11 1.391(2) . ?
C10 C12 1.384(2) 2_566 ?
C11 C12 1.397(2) . ?
C12 C10 1.384(2) 2_566 ?
C13 H13A 0.9900 . ?
C13 H13B 0.9900 . ?
C13 C14 1.519(2) . ?
C14 H14A 0.9900 . ?
C14 H14B 0.9900 . ?
C14 C15 1.507(2) . ?
C15 H15A 0.9900 . ?
C15 H15B 0.9900 . ?
C16 H16A 0.9800 . ?
C16 H16B 0.9800 . ?
C16 H16C 0.9800 . ?
C17 H17 0.9500 . ?
C18 H18A 0.9800 . ?
C18 H18B 0.9800 . ?
C18 H18C 0.9800 . ?
C19 H19A 0.9800 . ?
C19 H19B 0.9800 . ?
C19 H19C 0.9800 . ?

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 Zn1 Zn1 75.74(4) . 2_567 ?
O1 Zn1 O2 159.86(5) . 2_567 ?
O1 Zn1 O6 87.88(5) . 2_567 ?
O2 Zn1 Zn1 84.18(4) 2_567 2_567 ?
O2 Zn1 O6 87.94(5) 2_567 2_567 ?
O5 Zn1 Zn1 77.23(4) . 2_567 ?
O5 Zn1 O1 89.61(5) . . ?
O5 Zn1 O2 87.46(5) . 2_567 ?
O5 Zn1 O6 159.52(5) . 2_567 ?
O6 Zn1 Zn1 82.46(4) 2_567 2_567 ?
O9 Zn1 Zn1 176.95(4) . 2_567 ?
O9 Zn1 O1 101.50(5) . . ?
O9 Zn1 O2 98.53(5) . 2_567 ?
O9 Zn1 O5 104.23(5) . . ?
O9 Zn1 O6 96.19(5) . 2_567 ?
C1 O1 Zn1 131.98(11) . . ?
C1 O2 Zn1 120.43(11) . 2_567 ?
C4 O3 C5 118.11(13) . . ?
C7 O4 C8 111.89(18) . . ?
C9 O5 Zn1 131.17(11) . . ?
C9 O6 Zn1 122.62(11) . 2_567 ?
C12 O7 C13 113.83(13) . . ?
C16 O8 C15 111.70(14) . . ?
C17 O9 Zn1 117.88(11) . . ?
C17 N1 C18 121.08(15) . . ?
C17 N1 C19 121.14(16) . . ?
C18 N1 C19 117.77(15) . . ?
O1 C1 C3 115.75(14) . . ?
O2 C1 O1 126.75(16) . . ?
O2 C1 C3 117.48(14) . . ?
C3 C2 H2 120.3 . . ?
C4 C2 H2 120.3 2_577 . ?
C4 C2 C3 119.46(15) 2_577 . ?
C2 C3 C1 119.39(14) . . ?
C4 C3 C1 119.99(14) . . ?
C4 C3 C2 120.57(15) . . ?
O3 C4 C2 124.98(14) . 2_577 ?
O3 C4 C3 115.04(15) . . ?
C2 C4 C3 119.97(14) 2_577 . ?
O3 C5 H5A 110.5 . . ?
O3 C5 H5B 110.5 . . ?
O3 C5 C6 106.31(14) . . ?
H5A C5 H5B 108.7 . . ?
C6 C5 H5A 110.5 . . ?
C6 C5 H5B 110.5 . . ?
C5 C6 H6A 109.2 . . ?
C5 C6 H6B 109.2 . . ?
H6A C6 H6B 107.9 . . ?
C7 C6 C5 112.18(15) . . ?
C7 C6 H6A 109.2 . . ?
C7 C6 H6B 109.2 . . ?
O4 C7 C6 108.84(17) . . ?
O4 C7 H7A 109.9 . . ?
O4 C7 H7B 109.9 . . ?
C6 C7 H7A 109.9 . . ?
C6 C7 H7B 109.9 . . ?
H7A C7 H7B 108.3 . . ?
O4 C8 H8A 109.5 . . ?
O4 C8 H8B 109.5 . . ?
O4 C8 H8C 109.5 . . ?
H8A C8 H8B 109.5 . . ?
H8A C8 H8C 109.5 . . ?
H8B C8 H8C 109.5 . . ?
O5 C9 O6 126.35(14) . . ?
O5 C9 C11 116.68(15) . . ?
O6 C9 C11 116.93(15) . . ?
C11 C10 H10 119.4 . . ?
C12 C10 H10 119.4 2_566 . ?
C12 C10 C11 121.13(15) 2_566 . ?
C10 C11 C9 118.73(14) . . ?
C10 C11 C12 119.57(14) . . ?
C12 C11 C9 121.58(14) . . ?
O7 C12 C11 120.16(14) . . ?
C10 C12 O7 120.37(14) 2_566 . ?
C10 C12 C11 119.29(15) 2_566 . ?
O7 C13 H13A 110.1 . . ?
O7 C13 H13B 110.1 . . ?
O7 C13 C14 107.87(14) . . ?
H13A C13 H13B 108.4 . . ?
C14 C13 H13A 110.1 . . ?
C14 C13 H13B 110.1 . . ?
C13 C14 H14A 109.3 . . ?
C13 C14 H14B 109.3 . . ?
H14A C14 H14B 108.0 . . ?
C15 C14 C13 111.49(15) . . ?
C15 C14 H14A 109.3 . . ?
C15 C14 H14B 109.3 . . ?
O8 C15 C14 108.87(15) . . ?
O8 C15 H15A 109.9 . . ?
O8 C15 H15B 109.9 . . ?
C14 C15 H15A 109.9 . . ?
C14 C15 H15B 109.9 . . ?
H15A C15 H15B 108.3 . . ?
O8 C16 H16A 109.5 . . ?
O8 C16 H16B 109.5 . . ?
O8 C16 H16C 109.5 . . ?
H16A C16 H16B 109.5 . . ?
H16A C16 H16C 109.5 . . ?
H16B C16 H16C 109.5 . . ?
O9 C17 N1 123.87(17) . . ?
O9 C17 H17 118.1 . . ?
N1 C17 H17 118.1 . . ?
N1 C18 H18A 109.5 . . ?
N1 C18 H18B 109.5 . . ?
N1 C18 H18C 109.5 . . ?
H18A C18 H18B 109.5 . . ?
H18A C18 H18C 109.5 . . ?
H18B C18 H18C 109.5 . . ?
N1 C19 H19A 109.5 . . ?
N1 C19 H19B 109.5 . . ?
N1 C19 H19C 109.5 . . ?
H19A C19 H19B 109.5 . . ?
H19A C19 H19C 109.5 . . ?
H19B C19 H19C 109.5 . . ?

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
Zn1 O1 C1 O2 -11.0(2) . . . . ?
Zn1 O1 C1 C3 167.50(10) . . . . ?
Zn1 O2 C1 O1 12.3(2) 2_567 . . . ?
Zn1 O2 C1 C3 -166.21(10) 2_567 . . . ?
Zn1 O5 C9 O6 -4.3(3) . . . . ?
Zn1 O5 C9 C11 173.33(11) . . . . ?
Zn1 O6 C9 O5 -0.1(3) 2_567 . . . ?
Zn1 O6 C9 C11 -177.76(11) 2_567 . . . ?
Zn1 O9 C17 N1 -165.43(14) . . . . ?
O1 C1 C3 C2 -98.35(17) . . . . ?
O1 C1 C3 C4 79.06(18) . . . . ?
O2 C1 C3 C2 80.32(19) . . . . ?
O2 C1 C3 C4 -102.27(18) . . . . ?
O3 C5 C6 C7 -61.88(19) . . . . ?
O5 C9 C11 C10 -132.69(17) . . . . ?
O5 C9 C11 C12 43.3(2) . . . . ?
O6 C9 C11 C10 45.2(2) . . . . ?
O6 C9 C11 C12 -138.82(17) . . . . ?
O7 C13 C14 C15 -178.37(13) . . . . ?
C1 C3 C4 O3 4.2(2) . . . . ?
C1 C3 C4 C2 -176.91(14) . . . 2_577 ?
C2 C3 C4 O3 -178.45(13) . . . . ?
C2 C3 C4 C2 0.5(3) . . . 2_577 ?
C4 O3 C5 C6 162.67(14) . . . . ?
C4 C2 C3 C1 176.92(14) 2_577 . . . ?
C4 C2 C3 C4 -0.5(3) 2_577 . . . ?
C5 O3 C4 C2 21.7(2) . . . 2_577 ?
C5 O3 C4 C3 -159.45(14) . . . . ?
C5 C6 C7 O4 -62.63(19) . . . . ?
C8 O4 C7 C6 165.96(15) . . . . ?
C9 C11 C12 O7 9.8(3) . . . . ?
C9 C11 C12 C10 -175.02(15) . . . 2_566 ?
C10 C11 C12 O7 -174.24(15) . . . . ?
C10 C11 C12 C10 1.0(3) . . . 2_566 ?
C12 O7 C13 C14 165.33(13) . . . . ?
C12 C10 C11 C9 175.12(15) 2_566 . . . ?
C12 C10 C11 C12 -1.0(3) 2_566 . . . ?
C13 O7 C12 C10 80.75(19) . . . 2_566 ?
C13 O7 C12 C11 -104.11(18) . . . . ?
C13 C14 C15 O8 179.34(15) . . . . ?
C16 O8 C15 C14 179.21(15) . . . . ?
C18 N1 C17 O9 0.1(3) . . . . ?
C19 N1 C17 O9 179.31(17) . . . . ?

_shelx_SHELXL_version_number     2014/7
_olex2_submission_special_instructions 'No special instructions were received'
_exptl_crystal_recrystallization_method 'Solvothermal Synthesis'
