# Electronic Supplementary Material (ESI) for New Journal of Chemistry.
# This journal is © The Royal Society of Chemistry and the Centre National de la Recherche Scientifique 2018

####################################################################### 
# 
# 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_779ext_0m_a
_audit_block_doi                 10.5517/ccdc.csd.cc1yx2yw
_database_code_depnum_ccdc_archive 'CCDC 1814459'
_audit_update_record             
;
2018-04-20 deposited with the CCDC.
2018-05-16 downloaded from the CCDC.
;
_audit_creation_date             2018-04-18
_audit_creation_method           
;
Olex2 1.2
(compiled 2018.04.03 svn.r3497 for OlexSys, GUI svn.r5486)
;
_shelx_SHELXL_version_number     2018/3
_chemical_name_common            ?
_chemical_name_systematic        ?
_chemical_formula_moiety         'C30 H26 Cd N2 O6'
_chemical_formula_sum            'C30 H26 Cd N2 O6'
_chemical_formula_weight         622.93
_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'
Cd Cd -0.8075 1.2024 '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'

_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      monoclinic
_space_group_IT_number           15
_space_group_name_H-M_alt        'C 1 2/c 1'
_space_group_name_Hall           '-C 2yc'
loop_
_space_group_symop_operation_xyz
'x, y, z'
'-x, y, -z+1/2'
'x+1/2, y+1/2, z'
'-x+1/2, y+1/2, -z+1/2'
'-x, -y, -z'
'x, -y, z-1/2'
'-x+1/2, -y+1/2, -z'
'x+1/2, -y+1/2, z-1/2'

_cell_length_a                   10.0651(3)
_cell_length_b                   33.3266(12)
_cell_length_c                   9.1584(3)
_cell_angle_alpha                90
_cell_angle_beta                 115.5290(10)
_cell_angle_gamma                90
_cell_volume                     2772.12(16)
_cell_formula_units_Z            4
_cell_measurement_reflns_used    9962
_cell_measurement_temperature    293(2)
_cell_measurement_theta_max      27.19
_cell_measurement_theta_min      2.59
_shelx_estimated_absorpt_T_max   ?
_shelx_estimated_absorpt_T_min   ?
_exptl_absorpt_coefficient_mu    0.833
_exptl_absorpt_correction_T_max  ?
_exptl_absorpt_correction_T_min  ?
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   ?
_exptl_absorpt_special_details   ?
_exptl_crystal_colour            colourless
_exptl_crystal_colour_primary    colourless
_exptl_crystal_density_diffrn    1.493
_exptl_crystal_density_meas      ?
_exptl_crystal_density_method    ?
_exptl_crystal_description       prism
_exptl_crystal_F_000             1264
_exptl_crystal_size_max          0.365
_exptl_crystal_size_mid          0.264
_exptl_crystal_size_min          0.156
_exptl_transmission_factor_max   0.862
_exptl_transmission_factor_min   0.762
_diffrn_reflns_av_R_equivalents  0.0349
_diffrn_reflns_av_unetI/netI     0.0220
_diffrn_reflns_Laue_measured_fraction_full 0.995
_diffrn_reflns_Laue_measured_fraction_max 0.995
_diffrn_reflns_limit_h_max       12
_diffrn_reflns_limit_h_min       -12
_diffrn_reflns_limit_k_max       42
_diffrn_reflns_limit_k_min       -42
_diffrn_reflns_limit_l_max       11
_diffrn_reflns_limit_l_min       -11
_diffrn_reflns_number            21249
_diffrn_reflns_point_group_measured_fraction_full 0.995
_diffrn_reflns_point_group_measured_fraction_max 0.995
_diffrn_reflns_theta_full        25.242
_diffrn_reflns_theta_max         27.195
_diffrn_reflns_theta_min         2.751
_diffrn_ambient_temperature      293(2)
_diffrn_detector_area_resol_mean ?
_diffrn_measured_fraction_theta_full 0.995
_diffrn_measured_fraction_theta_max 0.995
_diffrn_measurement_device_type  'Bruker APEX-II CCD'
_diffrn_measurement_method       'φ and ω scans'
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_source                   ?
_reflns_Friedel_coverage         0.000
_reflns_Friedel_fraction_full    .
_reflns_Friedel_fraction_max     .
_reflns_number_gt                2754
_reflns_number_total             3083
_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       'Bruker SAINT'
_computing_data_collection       'Bruker APEX2'
_computing_data_reduction        'Bruker SAINT'
_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    'SHELXT 2014/4 (Sheldrick, 2014)'
_refine_diff_density_max         0.814
_refine_diff_density_min         -0.444
_refine_diff_density_rms         0.056
_refine_ls_extinction_coef       .
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.077
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     256
_refine_ls_number_reflns         3083
_refine_ls_number_restraints     0
_refine_ls_R_factor_all          0.0334
_refine_ls_R_factor_gt           0.0276
_refine_ls_restrained_S_all      1.077
_refine_ls_shift/su_max          0.004
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details     
'w=1/[σ²(Fo²)+(0.0256P)²+3.5615P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0633
_refine_ls_wR_factor_ref         0.0668
_refine_special_details          ?
_olex2_refinement_description    
;
1. Fixed Uiso
 At 1.2 times of:
  All C(H) groups
 At 1.5 times of:
  All O(H,H) groups
2. Others
 Fixed Sof: N1(0.5) C5(0.5) H5(0.5) C4(0.5) H4(0.5) C3(0.5) C2(0.5) H2(0.5)
 C1(0.5) H1(0.5) N2(0.5) C18(0.5) H18(0.5) C17(0.5) H17(0.5) C16(0.5) C15(0.5)
 H15(0.5) C14(0.5) H14(0.5) C6(0.5) H6(0.5) C7(0.5) H7(0.5) C8(0.5) C13(0.5)
 H13(0.5) C12(0.5) H12(0.5) C11(0.5) H11(0.5) C10(0.5) H10(0.5) C9(0.5) H9(0.5)
 C19(0.5) H19(0.5) C20(0.5) H20(0.5) C21(0.5) C26(0.5) H26(0.5) C25(0.5)
 H25(0.5) C24(0.5) H24(0.5) C23(0.5) H23(0.5) C22(0.5) H22(0.5)
3.a Rotating group:
 O1(H1A,H1B)
3.b Aromatic/amide H refined with riding coordinates:
 C5(H5), C4(H4), C2(H2), C1(H1), C18(H18), C17(H17), C15(H15), C14(H14),
 C6(H6), C7(H7), C13(H13), C12(H12), C11(H11), C10(H10), C9(H9), C19(H19),
 C20(H20), C26(H26), C25(H25), C24(H24), C23(H23), C22(H22)
3.c Fitted hexagon refined as free rotating group:
 N1(C5,C4,C3,C2,C1), N2(C18,C17,C16,C15,C14), C8(C13,C12,C11,C10,C9), C21(C26,
 C25,C24,C23,C22)
;
_atom_sites_solution_hydrogens   mixed
_atom_sites_solution_primary     ?
_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
Cd1 Cd 0.500000 0.72599(2) 0.750000 0.03705(8) Uani 1 2 d S T P . .
O1 O 0.41230(18) 0.71885(5) 0.47446(19) 0.0487(4) Uani 1 1 d . . . . .
H1A H 0.484940 0.715708 0.445810 0.073 Uiso 1 1 d GR . . . .
H1B H 0.369781 0.741158 0.424110 0.073 Uiso 1 1 d GR . . . .
O3 O 0.30507(18) 0.69746(6) 0.9707(2) 0.0674(6) Uani 1 1 d . . . . .
C27 C 0.2261(2) 0.71029(7) 0.8358(3) 0.0425(5) Uani 1 1 d . . . . .
C28 C 0.0649(2) 0.70779(7) 0.7758(3) 0.0438(5) Uani 1 1 d . . . . .
O2 O 0.26702(16) 0.72662(5) 0.7370(2) 0.0486(4) Uani 1 1 d . . . A -1
N1 N 0.4953(10) 0.65611(6) 0.7363(11) 0.0481(14) Uani 0.5 1 d . . . A -1
C5 C 0.5882(7) 0.63198(12) 0.8630(8) 0.0471(14) Uani 0.5 1 d G . . A -1
H5 H 0.657799 0.643620 0.957205 0.057 Uiso 0.5 1 calc R . . A -1
C4 C 0.5769(4) 0.59045(11) 0.8489(3) 0.0531(16) Uani 0.5 1 d G . . A -1
H4 H 0.639024 0.574310 0.933717 0.064 Uiso 0.5 1 calc R . . A -1
C3 C 0.4728(4) 0.57306(7) 0.7081(3) 0.0437(14) Uani 0.5 1 d G . . A -1
C2 C 0.3800(5) 0.59719(15) 0.5814(4) 0.0571(16) Uani 0.5 1 d G . . A -1
H2 H 0.310349 0.585547 0.487190 0.069 Uiso 0.5 1 calc R . . A -1
C1 C 0.3912(8) 0.63871(14) 0.5955(9) 0.074(3) Uani 0.5 1 d G . . A -1
H1 H 0.329122 0.654857 0.510674 0.089 Uiso 0.5 1 calc R . . A -1
N2 N 0.5018(13) 0.79545(6) 0.7613(17) 0.0443(13) Uani 0.5 1 d . . . A -1
C18 C 0.4239(11) 0.81304(16) 0.8382(14) 0.066(2) Uani 0.5 1 d G . . A -1
H18 H 0.379095 0.797016 0.887300 0.079 Uiso 0.5 1 calc R . . A -1
C17 C 0.4129(7) 0.85457(17) 0.8419(8) 0.0523(16) Uani 0.5 1 d G . . A -1
H17 H 0.360792 0.866333 0.893378 0.063 Uiso 0.5 1 calc R . . A -1
C16 C 0.4799(6) 0.87851(7) 0.7685(7) 0.0431(14) Uani 0.5 1 d G . . A -1
C15 C 0.5578(5) 0.86093(13) 0.6916(6) 0.0536(16) Uani 0.5 1 d G . . A -1
H15 H 0.602583 0.876947 0.642492 0.064 Uiso 0.5 1 calc R . . A -1
C14 C 0.5688(9) 0.81940(14) 0.6879(12) 0.0418(15) Uani 0.5 1 d G . . A -1
H14 H 0.620888 0.807630 0.636412 0.050 Uiso 0.5 1 calc R . . A -1
C6 C 0.4605(6) 0.52855(17) 0.6855(7) 0.0559(13) Uani 0.5 1 d . . . A -1
H6 H 0.398119 0.519192 0.582944 0.067 Uiso 0.5 1 calc R . . A -1
C7 C 0.5290(8) 0.50156(16) 0.7958(6) 0.0564(15) Uani 0.5 1 d . . . A -1
H7 H 0.590950 0.511470 0.897513 0.068 Uiso 0.5 1 calc R . . A -1
C8 C 0.5212(13) 0.45720(10) 0.7807(9) 0.045(2) Uani 0.5 1 d . . . A -1
C13 C 0.6130(13) 0.4329(3) 0.9075(10) 0.064(2) Uani 0.5 1 d G . . A -1
H13 H 0.683791 0.444417 1.001204 0.077 Uiso 0.5 1 calc R . . A -1
C12 C 0.599(2) 0.3914(3) 0.894(2) 0.077(4) Uani 0.5 1 d G . . A -1
H12 H 0.660280 0.375167 0.978933 0.093 Uiso 0.5 1 calc R . . A -1
C11 C 0.493(3) 0.37422(9) 0.754(3) 0.076(3) Uani 0.5 1 d G . . A -1
H11 H 0.483604 0.346456 0.745066 0.091 Uiso 0.5 1 calc R . . A -1
C10 C 0.401(2) 0.3985(3) 0.627(2) 0.075(3) Uani 0.5 1 d G . . A -1
H10 H 0.330438 0.386995 0.533468 0.090 Uiso 0.5 1 calc R . . A -1
C9 C 0.4153(11) 0.4400(2) 0.6406(8) 0.056(2) Uani 0.5 1 d G . . A -1
H9 H 0.353946 0.456246 0.555735 0.068 Uiso 0.5 1 calc R . . A -1
C19 C 0.4651(7) 0.92328(18) 0.7776(7) 0.0585(13) Uani 0.5 1 d . . . A -1
H19 H 0.402980 0.932159 0.822242 0.070 Uiso 0.5 1 calc R . . A -1
C20 C 0.5290(7) 0.95108(18) 0.7304(8) 0.0577(15) Uani 0.5 1 d . . . A -1
H20 H 0.590866 0.942758 0.684598 0.069 Uiso 0.5 1 calc R . . A -1
C21 C 0.511(3) 0.99518(10) 0.744(4) 0.060(3) Uani 0.5 1 d . . . A -1
C26 C 0.409(3) 1.0107(2) 0.794(4) 0.080(3) Uani 0.5 1 d G . . A -1
H26 H 0.352219 0.993488 0.823299 0.096 Uiso 0.5 1 calc R . . A -1
C25 C 0.3931(16) 1.0520(3) 0.801(2) 0.078(3) Uani 0.5 1 d G . . A -1
H25 H 0.325136 1.062400 0.834268 0.094 Uiso 0.5 1 calc R . . A -1
C24 C 0.4785(16) 1.07776(11) 0.757(2) 0.058(3) Uani 0.5 1 d G . . A -1
H24 H 0.467649 1.105385 0.761305 0.069 Uiso 0.5 1 calc R . . A -1
C23 C 0.5801(14) 1.0622(2) 0.7066(19) 0.064(2) Uani 0.5 1 d G . . A -1
H23 H 0.637247 1.079457 0.677374 0.076 Uiso 0.5 1 calc R . . A -1
C22 C 0.596(3) 1.0209(2) 0.700(3) 0.067(3) Uani 0.5 1 d G . . A -1
H22 H 0.664331 1.010545 0.666404 0.081 Uiso 0.5 1 calc R . . A -1


_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
Cd1 O1 2.2987(16) . ?
Cd1 O1 2.2987(16) 2_656 ?
Cd1 O2 2.2961(14) . ?
Cd1 N1 2.331(2) . ?
Cd1 N2 2.317(2) . ?
O1 H1A 0.8830 . ?
O1 H1B 0.8823 . ?
O3 C27 1.223(3) . ?
C27 C28 1.474(3) . ?
C27 O2 1.267(3) . ?
C28 C28 1.182(4) 2_556 ?
N1 C5 1.3900 . ?
N1 C1 1.3900 . ?
C5 H5 0.9300 . ?
C5 C4 1.3900 . ?
C4 H4 0.9300 . ?
C4 C3 1.3900 . ?
C3 C2 1.3900 . ?
C3 C6 1.496(6) . ?
C2 H2 0.9300 . ?
C2 C1 1.3900 . ?
C1 H1 0.9300 . ?
N2 C18 1.3900 . ?
N2 C14 1.3900 . ?
C18 H18 0.9300 . ?
C18 C17 1.3900 . ?
C17 H17 0.9300 . ?
C17 C16 1.3900 . ?
C16 C15 1.3900 . ?
C16 C19 1.505(6) . ?
C15 H15 0.9300 . ?
C15 C14 1.3900 . ?
C14 H14 0.9300 . ?
C6 H6 0.9300 . ?
C6 C7 1.306(6) . ?
C7 H7 0.9300 . ?
C7 C8 1.484(6) . ?
C8 C13 1.3900 . ?
C8 C9 1.3900 . ?
C13 H13 0.9300 . ?
C13 C12 1.3900 . ?
C12 H12 0.9300 . ?
C12 C11 1.3900 . ?
C11 H11 0.9300 . ?
C11 C10 1.3900 . ?
C10 H10 0.9300 . ?
C10 C9 1.3900 . ?
C9 H9 0.9300 . ?
C19 H19 0.9300 . ?
C19 C20 1.304(7) . ?
C20 H20 0.9300 . ?
C20 C21 1.493(7) . ?
C21 C26 1.3900 . ?
C21 C22 1.3900 . ?
C26 H26 0.9300 . ?
C26 C25 1.3900 . ?
C25 H25 0.9300 . ?
C25 C24 1.3900 . ?
C24 H24 0.9300 . ?
C24 C23 1.3900 . ?
C23 H23 0.9300 . ?
C23 C22 1.3900 . ?
C22 H22 0.9300 . ?

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 Cd1 O1 168.12(8) . 2_656 ?
O1 Cd1 N1 81.3(2) . . ?
O1 Cd1 N1 86.9(2) 2_656 . ?
O1 Cd1 N2 98.3(3) . . ?
O1 Cd1 N2 93.6(3) 2_656 . ?
O2 Cd1 O1 87.62(6) . 2_656 ?
O2 Cd1 O1 92.49(6) . . ?
O2 Cd1 N1 90.6(2) . . ?
O2 Cd1 N2 88.9(2) . . ?
N2 Cd1 N1 179.3(4) . . ?
Cd1 O1 H1A 111.3 . . ?
Cd1 O1 H1B 110.9 . . ?
H1A O1 H1B 102.8 . . ?
O3 C27 C28 119.2(2) . . ?
O3 C27 O2 127.0(2) . . ?
O2 C27 C28 113.73(19) . . ?
C28 C28 C27 176.45(18) 2_556 . ?
C27 O2 Cd1 126.70(14) . . ?
C5 N1 Cd1 122.8(4) . . ?
C5 N1 C1 120.0 . . ?
C1 N1 Cd1 117.1(4) . . ?
N1 C5 H5 120.0 . . ?
C4 C5 N1 120.0 . . ?
C4 C5 H5 120.0 . . ?
C5 C4 H4 120.0 . . ?
C3 C4 C5 120.0 . . ?
C3 C4 H4 120.0 . . ?
C4 C3 C2 120.0 . . ?
C4 C3 C6 121.8(3) . . ?
C2 C3 C6 118.2(3) . . ?
C3 C2 H2 120.0 . . ?
C1 C2 C3 120.0 . . ?
C1 C2 H2 120.0 . . ?
N1 C1 H1 120.0 . . ?
C2 C1 N1 120.0 . . ?
C2 C1 H1 120.0 . . ?
C18 N2 Cd1 116.6(4) . . ?
C18 N2 C14 120.0 . . ?
C14 N2 Cd1 123.2(4) . . ?
N2 C18 H18 120.0 . . ?
N2 C18 C17 120.0 . . ?
C17 C18 H18 120.0 . . ?
C18 C17 H17 120.0 . . ?
C16 C17 C18 120.0 . . ?
C16 C17 H17 120.0 . . ?
C17 C16 C19 117.5(4) . . ?
C15 C16 C17 120.0 . . ?
C15 C16 C19 122.5(4) . . ?
C16 C15 H15 120.0 . . ?
C16 C15 C14 120.0 . . ?
C14 C15 H15 120.0 . . ?
N2 C14 H14 120.0 . . ?
C15 C14 N2 120.0 . . ?
C15 C14 H14 120.0 . . ?
C3 C6 H6 116.9 . . ?
C7 C6 C3 126.2(4) . . ?
C7 C6 H6 116.9 . . ?
C6 C7 H7 115.7 . . ?
C6 C7 C8 128.7(5) . . ?
C8 C7 H7 115.7 . . ?
C13 C8 C7 120.9(5) . . ?
C13 C8 C9 120.0 . . ?
C9 C8 C7 119.1(5) . . ?
C8 C13 H13 120.0 . . ?
C12 C13 C8 120.0 . . ?
C12 C13 H13 120.0 . . ?
C13 C12 H12 120.0 . . ?
C13 C12 C11 120.0 . . ?
C11 C12 H12 120.0 . . ?
C12 C11 H11 120.0 . . ?
C12 C11 C10 120.0 . . ?
C10 C11 H11 120.0 . . ?
C11 C10 H10 120.0 . . ?
C9 C10 C11 120.0 . . ?
C9 C10 H10 120.0 . . ?
C8 C9 H9 120.0 . . ?
C10 C9 C8 120.0 . . ?
C10 C9 H9 120.0 . . ?
C16 C19 H19 116.2 . . ?
C20 C19 C16 127.7(5) . . ?
C20 C19 H19 116.2 . . ?
C19 C20 H20 117.4 . . ?
C19 C20 C21 125.3(9) . . ?
C21 C20 H20 117.4 . . ?
C26 C21 C20 121.8(11) . . ?
C26 C21 C22 120.0 . . ?
C22 C21 C20 118.2(11) . . ?
C21 C26 H26 120.0 . . ?
C25 C26 C21 120.0 . . ?
C25 C26 H26 120.0 . . ?
C26 C25 H25 120.0 . . ?
C26 C25 C24 120.0 . . ?
C24 C25 H25 120.0 . . ?
C25 C24 H24 120.0 . . ?
C23 C24 C25 120.0 . . ?
C23 C24 H24 120.0 . . ?
C24 C23 H23 120.0 . . ?
C22 C23 C24 120.0 . . ?
C22 C23 H23 120.0 . . ?
C21 C22 H22 120.0 . . ?
C23 C22 C21 120.0 . . ?
C23 C22 H22 120.0 . . ?

_olex2_submission_special_instructions 'No special instructions were received'
####################################################################### 
# 
# 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_708ext_0m_a
_database_code_depnum_ccdc_archive 'CCDC 1814460'
_audit_update_record             
;
2018-04-20 deposited with the CCDC.
2018-05-16 downloaded from the CCDC.
;
_audit_creation_date             2018-04-18
_audit_creation_method           
;
Olex2 1.2
(compiled 2018.04.03 svn.r3497 for OlexSys, GUI svn.r5486)
;
_shelx_SHELXL_version_number     2018/3
_chemical_name_common            ?
_chemical_name_systematic        ?
_chemical_formula_moiety         'C30 H26 N2 O6 Zn'
_chemical_formula_sum            'C30 H26 N2 O6 Zn'
_chemical_formula_weight         575.90
_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'
Zn Zn 0.2839 1.4301 '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'

_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      monoclinic
_space_group_IT_number           15
_space_group_name_H-M_alt        'C 1 2/c 1'
_space_group_name_Hall           '-C 2yc'
loop_
_space_group_symop_operation_xyz
'x, y, z'
'-x, y, -z+1/2'
'x+1/2, y+1/2, z'
'-x+1/2, y+1/2, -z+1/2'
'-x, -y, -z'
'x, -y, z-1/2'
'-x+1/2, -y+1/2, -z'
'x+1/2, -y+1/2, z-1/2'

_cell_length_a                   9.8300(5)
_cell_length_b                   32.8664(17)
_cell_length_c                   9.1401(5)
_cell_angle_alpha                90
_cell_angle_beta                 115.385(2)
_cell_angle_gamma                90
_cell_volume                     2667.8(2)
_cell_formula_units_Z            4
_cell_measurement_reflns_used    9852
_cell_measurement_temperature    294(2)
_cell_measurement_theta_max      26.36
_cell_measurement_theta_min      2.62
_shelx_estimated_absorpt_T_max   ?
_shelx_estimated_absorpt_T_min   ?
_exptl_absorpt_coefficient_mu    0.968
_exptl_absorpt_correction_T_max  ?
_exptl_absorpt_correction_T_min  ?
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   ?
_exptl_absorpt_special_details   ?
_exptl_crystal_colour            colourless
_exptl_crystal_colour_primary    colourless
_exptl_crystal_density_diffrn    1.434
_exptl_crystal_density_meas      ?
_exptl_crystal_density_method    ?
_exptl_crystal_description       prism
_exptl_crystal_F_000             1192
_exptl_crystal_size_max          0.427
_exptl_crystal_size_mid          0.085
_exptl_crystal_size_min          0.045
_exptl_transmission_factor_max   0.741
_exptl_transmission_factor_min   0.654
_diffrn_reflns_av_R_equivalents  0.0339
_diffrn_reflns_av_unetI/netI     0.0204
_diffrn_reflns_Laue_measured_fraction_full 0.986
_diffrn_reflns_Laue_measured_fraction_max 0.987
_diffrn_reflns_limit_h_max       12
_diffrn_reflns_limit_h_min       -12
_diffrn_reflns_limit_k_max       40
_diffrn_reflns_limit_k_min       -40
_diffrn_reflns_limit_l_max       11
_diffrn_reflns_limit_l_min       -11
_diffrn_reflns_number            18532
_diffrn_reflns_point_group_measured_fraction_full 0.986
_diffrn_reflns_point_group_measured_fraction_max 0.987
_diffrn_reflns_theta_full        25.242
_diffrn_reflns_theta_max         26.383
_diffrn_reflns_theta_min         3.857
_diffrn_ambient_temperature      294.62
_diffrn_detector_area_resol_mean ?
_diffrn_measured_fraction_theta_full 0.986
_diffrn_measured_fraction_theta_max 0.987
_diffrn_measurement_device_type  'Bruker APEX-II CCD'
_diffrn_measurement_method       'φ and ω scans'
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_source                   ?
_reflns_Friedel_coverage         0.000
_reflns_Friedel_fraction_full    .
_reflns_Friedel_fraction_max     .
_reflns_number_gt                2500
_reflns_number_total             2710
_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       'Bruker SAINT'
_computing_data_collection       'Bruker APEX2'
_computing_data_reduction        'Bruker SAINT'
_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-97 (Sheldrick 2008)'
_refine_diff_density_max         0.341
_refine_diff_density_min         -0.410
_refine_diff_density_rms         0.050
_refine_ls_extinction_coef       .
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.112
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     256
_refine_ls_number_reflns         2710
_refine_ls_number_restraints     36
_refine_ls_R_factor_all          0.0377
_refine_ls_R_factor_gt           0.0337
_refine_ls_restrained_S_all      1.110
_refine_ls_shift/su_max          0.003
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details     
'w=1/[σ²(Fo²)+(0.0281P)²+4.2628P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0791
_refine_ls_wR_factor_ref         0.0831
_refine_special_details          ?
_olex2_refinement_description    
;
1. Fixed Uiso
 At 1.2 times of:
  All C(H) groups
 At 1.5 times of:
  All O(H,H) groups
2. Rigid body (RIGU) restrains
 N2, C14, C15, C16, C17, C18
 with sigma for 1-2 distances of 0.004 and sigma for 1-3 distances of 0.004
3. Others
 Fixed Sof: N1(0.5) C5(0.5) H5(0.5) C4(0.5) H4(0.5) C3(0.5) C2(0.5) H2(0.5)
 C1(0.5) H1(0.5) N2(0.5) C18(0.5) H18(0.5) C17(0.5) H17(0.5) C16(0.5) C15(0.5)
 H15(0.5) C14(0.5) H14(0.5) C6(0.5) H6(0.5) C7(0.5) H7(0.5) C8(0.5) C13(0.5)
 H13(0.5) C12(0.5) H12(0.5) C11(0.5) H11(0.5) C10(0.5) H10(0.5) C9(0.5) H9(0.5)
 C19(0.5) H19(0.5) C20(0.5) H20(0.5) C21(0.5) C26(0.5) H26(0.5) C25(0.5)
 H25(0.5) C24(0.5) H24(0.5) C23(0.5) H23(0.5) C22(0.5) H22(0.5)
4.a Rotating group:
 O1(H1A,H1B)
4.b Aromatic/amide H refined with riding coordinates:
 C5(H5), C4(H4), C2(H2), C1(H1), C18(H18), C17(H17), C15(H15), C14(H14),
 C6(H6), C7(H7), C13(H13), C12(H12), C11(H11), C10(H10), C9(H9), C19(H19),
 C20(H20), C26(H26), C25(H25), C24(H24), C23(H23), C22(H22)
4.c Fitted hexagon refined as free rotating group:
 N1(C5,C4,C3,C2,C1), N2(C18,C17,C16,C15,C14), C8(C13,C12,C11,C10,C9), C21(C26,
 C25,C24,C23,C22)
;
_atom_sites_solution_hydrogens   mixed
_atom_sites_solution_primary     ?
_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 0.500000 0.72611(2) 0.750000 0.02737(11) Uani 1 2 d S T P . .
O1 O 0.41314(15) 0.72286(4) 0.49659(17) 0.0354(3) Uani 1 1 d . . . . .
H1A H 0.485912 0.719577 0.467879 0.053 Uiso 1 1 d GR . . . .
H1B H 0.370898 0.745246 0.445959 0.053 Uiso 1 1 d GR . . . .
O3 O 0.31023(16) 0.69925(6) 0.9710(2) 0.0520(4) Uani 1 1 d . . . . .
C27 C 0.23181(19) 0.71109(6) 0.8330(2) 0.0299(4) Uani 1 1 d . . . . .
C28 C 0.0666(2) 0.70929(6) 0.7738(2) 0.0328(4) Uani 1 1 d . . . . .
O2 O 0.27618(14) 0.72555(4) 0.73225(17) 0.0328(3) Uani 1 1 d . . . A -1
N1 N 0.4935(10) 0.66087(5) 0.7344(9) 0.0326(10) Uani 0.5 1 d . . . A -1
C5 C 0.5925(7) 0.63691(11) 0.8604(6) 0.0294(10) Uani 0.5 1 d G . . A -1
H5 H 0.665076 0.649093 0.952670 0.035 Uiso 0.5 1 calc R . . A -1
C4 C 0.5830(3) 0.59475(10) 0.8484(3) 0.0394(12) Uani 0.5 1 d G . . A -1
H4 H 0.649159 0.578722 0.932747 0.047 Uiso 0.5 1 calc R . . A -1
C3 C 0.4745(4) 0.57655(6) 0.7105(3) 0.0352(12) Uani 0.5 1 d G . . A -1
C2 C 0.3755(5) 0.60050(14) 0.5845(4) 0.0469(15) Uani 0.5 1 d G . . A -1
H2 H 0.302950 0.588324 0.492176 0.056 Uiso 0.5 1 calc R . . A -1
C1 C 0.3851(8) 0.64267(13) 0.5964(8) 0.058(2) Uani 0.5 1 d G . . A -1
H1 H 0.318864 0.658695 0.512097 0.070 Uiso 0.5 1 calc R . . A -1
N2 N 0.4994(11) 0.79116(5) 0.7590(14) 0.0339(10) Uani 0.5 1 d . U . A -1
C18 C 0.4234(9) 0.80916(14) 0.8401(11) 0.0538(19) Uani 0.5 1 d G U . A -1
H18 H 0.379189 0.793010 0.891403 0.065 Uiso 0.5 1 calc R . . A -1
C17 C 0.4135(6) 0.85129(14) 0.8446(7) 0.0433(14) Uani 0.5 1 d G U . A -1
H17 H 0.362699 0.863333 0.898874 0.052 Uiso 0.5 1 calc R . . A -1
C16 C 0.4796(6) 0.87542(6) 0.7680(7) 0.0360(13) Uani 0.5 1 d G U . A -1
C15 C 0.5556(5) 0.85742(11) 0.6868(5) 0.0415(13) Uani 0.5 1 d G U . A -1
H15 H 0.599808 0.873570 0.635568 0.050 Uiso 0.5 1 calc R . . A -1
C14 C 0.5655(8) 0.81529(12) 0.6824(10) 0.0307(11) Uani 0.5 1 d G U . A -1
H14 H 0.616300 0.803247 0.628095 0.037 Uiso 0.5 1 calc R . . A -1
C6 C 0.4623(6) 0.53130(15) 0.6870(6) 0.0470(10) Uani 0.5 1 d . . . A -1
H6 H 0.399654 0.521852 0.584020 0.056 Uiso 0.5 1 calc R . . A -1
C7 C 0.5325(6) 0.50357(15) 0.7993(6) 0.0467(12) Uani 0.5 1 d . . . A -1
H7 H 0.595760 0.513379 0.901475 0.056 Uiso 0.5 1 calc R . . A -1
C8 C 0.5222(11) 0.45876(8) 0.7811(9) 0.038(2) Uani 0.5 1 d . . . A -1
C13 C 0.6135(12) 0.4338(3) 0.9080(11) 0.0538(19) Uani 0.5 1 d G . . A -1
H13 H 0.681956 0.445195 1.004652 0.065 Uiso 0.5 1 calc R . . A -1
C12 C 0.602(3) 0.3917(2) 0.890(2) 0.066(3) Uani 0.5 1 d G . . A -1
H12 H 0.663479 0.375023 0.975253 0.079 Uiso 0.5 1 calc R . . A -1
C11 C 0.500(3) 0.37467(9) 0.746(3) 0.0685(18) Uani 0.5 1 d G . . A -1
H11 H 0.492607 0.346542 0.734070 0.082 Uiso 0.5 1 calc R . . A -1
C10 C 0.409(2) 0.3996(3) 0.6190(19) 0.066(3) Uani 0.5 1 d G . . A -1
H10 H 0.340211 0.388232 0.522286 0.079 Uiso 0.5 1 calc R . . A -1
C9 C 0.4198(10) 0.4417(2) 0.6366(9) 0.0506(19) Uani 0.5 1 d G . . A -1
H9 H 0.358686 0.458404 0.551682 0.061 Uiso 0.5 1 calc R . . A -1
C19 C 0.4634(6) 0.92074(16) 0.7761(6) 0.0503(11) Uani 0.5 1 d . . . A -1
H19 H 0.399004 0.929709 0.819877 0.060 Uiso 0.5 1 calc R . . A -1
C20 C 0.5300(6) 0.94928(16) 0.7286(7) 0.0491(12) Uani 0.5 1 d . . . A -1
H20 H 0.595487 0.940698 0.685652 0.059 Uiso 0.5 1 calc R . . A -1
C21 C 0.510(3) 0.99377(9) 0.737(3) 0.047(3) Uani 0.5 1 d . . . A -1
C26 C 0.408(2) 1.00928(18) 0.792(2) 0.068(3) Uani 0.5 1 d G . . A -1
H26 H 0.350367 0.991673 0.821517 0.082 Uiso 0.5 1 calc R . . A -1
C25 C 0.3931(15) 1.0511(2) 0.802(2) 0.073(3) Uani 0.5 1 d G . . A -1
H25 H 0.325103 1.061486 0.838259 0.088 Uiso 0.5 1 calc R . . A -1
C24 C 0.4795(15) 1.07743(10) 0.757(2) 0.050(3) Uani 0.5 1 d G . . A -1
H24 H 0.469384 1.105413 0.763982 0.060 Uiso 0.5 1 calc R . . A -1
C23 C 0.5811(12) 1.06192(17) 0.7027(18) 0.059(2) Uani 0.5 1 d G . . A -1
H23 H 0.638930 1.079528 0.672962 0.071 Uiso 0.5 1 calc R . . A -1
C22 C 0.5962(19) 1.02009(19) 0.693(2) 0.059(2) Uani 0.5 1 d G . . A -1
H22 H 0.664196 1.009715 0.656220 0.071 Uiso 0.5 1 calc R . . A -1


_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 O1 2.0999(14) 2_656 ?
Zn1 O1 2.0999(14) . ?
Zn1 O2 2.1357(12) . ?
Zn1 N1 2.1480(19) . ?
Zn1 N2 2.1396(18) . ?
O1 H1A 0.8678 . ?
O1 H1B 0.8737 . ?
O3 C27 1.226(2) . ?
C27 C28 1.477(2) . ?
C27 O2 1.268(2) . ?
C28 C28 1.189(4) 2_556 ?
N1 C5 1.3900 . ?
N1 C1 1.3900 . ?
C5 H5 0.9300 . ?
C5 C4 1.3900 . ?
C4 H4 0.9300 . ?
C4 C3 1.3900 . ?
C3 C2 1.3900 . ?
C3 C6 1.500(5) . ?
C2 H2 0.9300 . ?
C2 C1 1.3900 . ?
C1 H1 0.9300 . ?
N2 C18 1.3900 . ?
N2 C14 1.3900 . ?
C18 H18 0.9300 . ?
C18 C17 1.3900 . ?
C17 H17 0.9300 . ?
C17 C16 1.3900 . ?
C16 C15 1.3900 . ?
C16 C19 1.503(5) . ?
C15 H15 0.9300 . ?
C15 C14 1.3900 . ?
C14 H14 0.9300 . ?
C6 H6 0.9300 . ?
C6 C7 1.324(6) . ?
C7 H7 0.9300 . ?
C7 C8 1.481(5) . ?
C8 C13 1.3900 . ?
C8 C9 1.3900 . ?
C13 H13 0.9300 . ?
C13 C12 1.3900 . ?
C12 H12 0.9300 . ?
C12 C11 1.3900 . ?
C11 H11 0.9300 . ?
C11 C10 1.3900 . ?
C10 H10 0.9300 . ?
C10 C9 1.3900 . ?
C9 H9 0.9300 . ?
C19 H19 0.9300 . ?
C19 C20 1.319(6) . ?
C20 H20 0.9300 . ?
C20 C21 1.482(6) . ?
C21 C26 1.3900 . ?
C21 C22 1.3900 . ?
C26 H26 0.9300 . ?
C26 C25 1.3900 . ?
C25 H25 0.9300 . ?
C25 C24 1.3900 . ?
C24 H24 0.9300 . ?
C24 C23 1.3900 . ?
C23 H23 0.9300 . ?
C23 C22 1.3900 . ?
C22 H22 0.9300 . ?

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 O1 174.17(8) 2_656 . ?
O1 Zn1 O2 90.11(5) 2_656 . ?
O1 Zn1 O2 89.84(5) . . ?
O1 Zn1 N1 83.6(2) . . ?
O1 Zn1 N1 90.5(2) 2_656 . ?
O1 Zn1 N2 95.0(3) . . ?
O1 Zn1 N2 90.9(3) 2_656 . ?
O2 Zn1 N1 89.2(3) . . ?
O2 Zn1 N2 89.5(2) . . ?
N2 Zn1 N1 178.1(4) . . ?
Zn1 O1 H1A 110.0 . . ?
Zn1 O1 H1B 114.7 . . ?
H1A O1 H1B 102.2 . . ?
O3 C27 C28 118.18(17) . . ?
O3 C27 O2 127.27(17) . . ?
O2 C27 C28 114.54(16) . . ?
C28 C28 C27 177.70(11) 2_556 . ?
C27 O2 Zn1 127.72(12) . . ?
C5 N1 Zn1 121.3(4) . . ?
C5 N1 C1 120.0 . . ?
C1 N1 Zn1 118.6(4) . . ?
N1 C5 H5 120.0 . . ?
C4 C5 N1 120.0 . . ?
C4 C5 H5 120.0 . . ?
C5 C4 H4 120.0 . . ?
C5 C4 C3 120.0 . . ?
C3 C4 H4 120.0 . . ?
C4 C3 C2 120.0 . . ?
C4 C3 C6 122.7(3) . . ?
C2 C3 C6 117.3(3) . . ?
C3 C2 H2 120.0 . . ?
C1 C2 C3 120.0 . . ?
C1 C2 H2 120.0 . . ?
N1 C1 H1 120.0 . . ?
C2 C1 N1 120.0 . . ?
C2 C1 H1 120.0 . . ?
C18 N2 Zn1 117.2(4) . . ?
C18 N2 C14 120.0 . . ?
C14 N2 Zn1 122.8(4) . . ?
N2 C18 H18 120.0 . . ?
N2 C18 C17 120.0 . . ?
C17 C18 H18 120.0 . . ?
C18 C17 H17 120.0 . . ?
C16 C17 C18 120.0 . . ?
C16 C17 H17 120.0 . . ?
C17 C16 C19 117.3(3) . . ?
C15 C16 C17 120.0 . . ?
C15 C16 C19 122.7(3) . . ?
C16 C15 H15 120.0 . . ?
C16 C15 C14 120.0 . . ?
C14 C15 H15 120.0 . . ?
N2 C14 H14 120.0 . . ?
C15 C14 N2 120.0 . . ?
C15 C14 H14 120.0 . . ?
C3 C6 H6 117.0 . . ?
C7 C6 C3 126.1(4) . . ?
C7 C6 H6 117.0 . . ?
C6 C7 H7 116.2 . . ?
C6 C7 C8 127.6(4) . . ?
C8 C7 H7 116.2 . . ?
C13 C8 C7 120.3(5) . . ?
C13 C8 C9 120.0 . . ?
C9 C8 C7 119.7(5) . . ?
C8 C13 H13 120.0 . . ?
C12 C13 C8 120.0 . . ?
C12 C13 H13 120.0 . . ?
C13 C12 H12 120.0 . . ?
C13 C12 C11 120.0 . . ?
C11 C12 H12 120.0 . . ?
C12 C11 H11 120.0 . . ?
C10 C11 C12 120.0 . . ?
C10 C11 H11 120.0 . . ?
C11 C10 H10 120.0 . . ?
C11 C10 C9 120.0 . . ?
C9 C10 H10 120.0 . . ?
C8 C9 H9 120.0 . . ?
C10 C9 C8 120.0 . . ?
C10 C9 H9 120.0 . . ?
C16 C19 H19 116.2 . . ?
C20 C19 C16 127.6(4) . . ?
C20 C19 H19 116.2 . . ?
C19 C20 H20 117.0 . . ?
C19 C20 C21 126.0(7) . . ?
C21 C20 H20 117.0 . . ?
C26 C21 C20 120.9(8) . . ?
C26 C21 C22 120.0 . . ?
C22 C21 C20 119.1(8) . . ?
C21 C26 H26 120.0 . . ?
C21 C26 C25 120.0 . . ?
C25 C26 H26 120.0 . . ?
C26 C25 H25 120.0 . . ?
C24 C25 C26 120.0 . . ?
C24 C25 H25 120.0 . . ?
C25 C24 H24 120.0 . . ?
C25 C24 C23 120.0 . . ?
C23 C24 H24 120.0 . . ?
C24 C23 H23 120.0 . . ?
C24 C23 C22 120.0 . . ?
C22 C23 H23 120.0 . . ?
C21 C22 H22 120.0 . . ?
C23 C22 C21 120.0 . . ?
C23 C22 H22 120.0 . . ?

_olex2_submission_special_instructions 'No special instructions were received'
