# Electronic Supplementary Material (ESI) for CrystEngComm.
# This journal is © The Royal Society of Chemistry 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_zn
_audit_block_doi                 10.5517/ccdc.csd.cc20009c
_database_code_depnum_ccdc_archive 'CCDC 1847051'
_audit_update_record             
;
2018-06-19 deposited with the CCDC.
2018-06-22 downloaded from the CCDC.
;
_audit_creation_date             2018-06-19
_audit_creation_method           
;
Olex2 1.2
(compiled 2017.03.28 svn.r3405 for OlexSys, GUI svn.r5337)
;
_shelx_SHELXL_version_number     2014/7
_chemical_name_common            ?
_chemical_name_systematic        ?
_chemical_formula_moiety         'C23 H13 N3 O4 Zn, 3.82(O1.09)'
_chemical_formula_sum            'C23 H13 N3 O8.18 Zn'
_chemical_formula_weight         527.61
_chemical_melting_point          ?
_chemical_oxdiff_formula         SY-Zn
_chemical_oxdiff_usercomment     'C N O Zn'
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                   10.1188(7)
_cell_length_b                   10.9420(11)
_cell_length_c                   11.7024(10)
_cell_angle_alpha                63.853(9)
_cell_angle_beta                 82.358(6)
_cell_angle_gamma                72.588(7)
_cell_volume                     1109.81(18)
_cell_formula_units_Z            2
_cell_measurement_reflns_used    2598
_cell_measurement_temperature    120.00(10)
_cell_measurement_theta_max      27.3870
_cell_measurement_theta_min      3.3910
_shelx_estimated_absorpt_T_max   ?
_shelx_estimated_absorpt_T_min   ?
_exptl_absorpt_coefficient_mu    1.164
_exptl_absorpt_correction_T_max  1.00000
_exptl_absorpt_correction_T_min  0.42446
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   
;
CrysAlisPro 1.171.38.43f (Rigaku Oxford Diffraction, 2015)
Empirical absorption correction using spherical harmonics,
 implemented in SCALE3 ABSPACK scaling algorithm.
;
_exptl_absorpt_special_details   ?
_exptl_crystal_colour            ?
_exptl_crystal_density_diffrn    1.579
_exptl_crystal_density_meas      ?
_exptl_crystal_density_method    ?
_exptl_crystal_description       block
_exptl_crystal_F_000             535
_exptl_crystal_size_max          ?
_exptl_crystal_size_mid          ?
_exptl_crystal_size_min          ?
_exptl_transmission_factor_max   ?
_exptl_transmission_factor_min   ?
_diffrn_reflns_av_R_equivalents  0.0469
_diffrn_reflns_av_unetI/netI     0.0784
_diffrn_reflns_Laue_measured_fraction_full 0.998
_diffrn_reflns_Laue_measured_fraction_max 0.998
_diffrn_reflns_limit_h_max       12
_diffrn_reflns_limit_h_min       -11
_diffrn_reflns_limit_k_max       13
_diffrn_reflns_limit_k_min       -12
_diffrn_reflns_limit_l_max       13
_diffrn_reflns_limit_l_min       -7
_diffrn_reflns_number            7567
_diffrn_reflns_point_group_measured_fraction_full 0.998
_diffrn_reflns_point_group_measured_fraction_max 0.998
_diffrn_reflns_theta_full        25.008
_diffrn_reflns_theta_max         25.008
_diffrn_reflns_theta_min         2.864
_diffrn_ambient_environment      N~2~
_diffrn_ambient_temperature      120.00(10)
_diffrn_detector                 'CCD plate'
_diffrn_detector_area_resol_mean 16.2116
_diffrn_detector_type            Eos
_diffrn_measured_fraction_theta_full 0.998
_diffrn_measured_fraction_theta_max 0.998
_diffrn_measurement_details      
;
List of Runs (angles in degrees, time in seconds):

  # Type    Start    End  Width  tₑₓₚ   ω     θ     κ     φ   Frames
#--------------------------------------------------------------------------
  1  ω    -38.00  44.00   1.00   37.50    --  -19.25  57.00 -60.00   82
  2  ω    -10.00  31.00   1.00   37.50    --   18.94  77.00-120.00   41
  3  ω      1.00  61.00   1.00   37.50    --   18.94 -99.00  30.00   60
  4  ω    -87.00  10.00   1.00   37.50    --  -19.25 -77.00  90.00   97
  5  ω    -92.00  24.00   1.00   37.50    --  -19.25 -19.00 120.00  116
;
_diffrn_measurement_device       'four-circle diffractometer'
_diffrn_measurement_device_type  'SuperNova, Single source at offset, Eos'
_diffrn_measurement_method       'ω scans'
_diffrn_orient_matrix_type       
'CrysAlisPro convention (1999,Acta A55,543-557)'
_diffrn_orient_matrix_UB_11      0.0329734000
_diffrn_orient_matrix_UB_12      -0.0365896000
_diffrn_orient_matrix_UB_13      0.0602903000
_diffrn_orient_matrix_UB_21      0.0341164000
_diffrn_orient_matrix_UB_22      -0.0580690000
_diffrn_orient_matrix_UB_23      -0.0148418000
_diffrn_orient_matrix_UB_31      0.0560866000
_diffrn_orient_matrix_UB_32      0.0302588000
_diffrn_orient_matrix_UB_33      -0.0265311000
_diffrn_radiation_monochromator  mirror
_diffrn_radiation_probe          x-ray
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_source                   'micro-focus sealed X-ray tube'
_diffrn_source_type              'SuperNova (Mo) X-ray Source'
_reflns_Friedel_coverage         0.000
_reflns_Friedel_fraction_full    .
_reflns_Friedel_fraction_max     .
_reflns_number_gt                2955
_reflns_number_total             3894
_reflns_odcompleteness_completeness 99.85
_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 1.171.38.43f (Rigaku OD, 2015)'
_computing_data_collection       'CrysAlisPro 1.171.38.43f (Rigaku OD, 2015)'
_computing_data_reduction        'CrysAlisPro 1.171.38.43f (Rigaku OD, 2015)'
_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    'SIR2004 (Burla et al., 2007)'
_refine_diff_density_max         0.596
_refine_diff_density_min         -0.572
_refine_diff_density_rms         0.093
_refine_ls_extinction_coef       .
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   0.941
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     360
_refine_ls_number_reflns         3894
_refine_ls_number_restraints     42
_refine_ls_R_factor_all          0.0761
_refine_ls_R_factor_gt           0.0544
_refine_ls_restrained_S_all      0.944
_refine_ls_shift/su_max          0.000
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details     
'w=1/[σ²(Fo²)+(0.0880P)²+0.3340P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1313
_refine_ls_wR_factor_ref         0.1459
_refine_special_details          ?
_olex2_refinement_description    
;
1. Fixed Uiso
 At 1.2 times of:
  All C(H) groups
2. Uiso/Uaniso restraints and constraints
Uanis(O6W) \\sim Ueq: with sigma of 0.001 and sigma for terminal atoms of 0.001
Uanis(O2W) \\sim Ueq: with sigma of 0.005 and sigma for terminal atoms of 0.005
Uanis(O3W) \\sim Ueq: with sigma of 0.005 and sigma for terminal atoms of 0.005
Uanis(O1W) \\sim Ueq: with sigma of 0.005 and sigma for terminal atoms of 0.005
Uanis(O7W) \\sim Ueq: with sigma of 0.001 and sigma for terminal atoms of 0.001
Uanis(O8W) \\sim Ueq: with sigma of 0.005 and sigma for terminal atoms of 0.005
Uanis(O4W) \\sim Ueq: with sigma of 0.005 and sigma for terminal atoms of 0.005
3.a Aromatic/amide H refined with riding coordinates:
 C13(H13), C7(H7), C14(H14), C5(H5), C10(H10), C15(H15), C19(H19), C3(H3),
 C23(H23), C17(H17), C16(H16), C21(H21), C22(H22)
;
_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 0.87980(4) 0.75173(5) 0.33167(5) 0.0258(2) Uani 1 1 d . . . . .
O4 O 1.7378(3) 0.6858(3) 0.4582(3) 0.0309(8) Uani 1 1 d . . . . .
O2 O 1.1350(3) 0.8149(4) 0.2638(3) 0.0392(9) Uani 1 1 d . . . . .
O1 O 1.0299(3) 0.7099(3) 0.4445(3) 0.0312(8) Uani 1 1 d . . . . .
O3 O 1.6457(3) 0.7391(4) 0.2763(3) 0.0400(9) Uani 1 1 d . . . . .
N2 N 1.3777(3) 0.3764(3) 1.0657(3) 0.0230(8) Uani 1 1 d . . . . .
C2 C 1.1349(4) 0.7461(5) 0.3810(4) 0.0273(10) Uani 1 1 d . . . . .
C1 C 1.6386(4) 0.7026(5) 0.3926(4) 0.0284(10) Uani 1 1 d . . . . .
N3 N 1.7885(4) -0.0391(4) 1.2296(4) 0.0329(9) Uani 1 1 d . . . . .
C18 C 1.1573(4) 0.5293(4) 1.0791(4) 0.0238(9) Uani 1 1 d . . . . .
C13 C 1.4934(4) 0.4016(4) 0.8682(4) 0.0243(10) Uani 1 1 d . . . . .
H13 H 1.5727 0.3733 0.8261 0.029 Uiso 1 1 calc R . . . .
N1 N 0.9688(3) 0.6376(4) 1.2313(4) 0.0286(9) Uani 1 1 d . . . . .
C11 C 1.2695(4) 0.4819(4) 0.9999(4) 0.0249(10) Uani 1 1 d . . . . .
C20 C 1.5985(4) 0.2118(4) 1.0781(4) 0.0242(9) Uani 1 1 d . . . . .
C12 C 1.4867(4) 0.3367(4) 0.9987(4) 0.0236(9) Uani 1 1 d . . . . .
C7 C 1.5038(4) 0.6095(4) 0.5936(4) 0.0258(10) Uani 1 1 d . . . . .
H7 H 1.5845 0.5805 0.6393 0.031 Uiso 1 1 calc R . . . .
C14 C 1.0387(4) 0.6394(5) 1.0275(4) 0.0281(10) Uani 1 1 d . . . . .
H14 H 1.0207 0.6793 0.9408 0.034 Uiso 1 1 calc R . . . .
C5 C 1.2632(4) 0.6279(4) 0.5886(4) 0.0236(10) Uani 1 1 d . . . . .
H5 H 1.1814 0.6106 0.6306 0.028 Uiso 1 1 calc R . . . .
C10 C 1.2669(4) 0.5496(5) 0.8684(4) 0.0252(10) Uani 1 1 d . . . . .
H10 H 1.1893 0.6211 0.8265 0.030 Uiso 1 1 calc R . . . .
C15 C 0.9478(4) 0.6886(5) 1.1070(4) 0.0303(11) Uani 1 1 d . . . . .
H15 H 0.8681 0.7610 1.0717 0.036 Uiso 1 1 calc R . . . .
C9 C 1.3811(4) 0.5101(4) 0.7990(4) 0.0245(10) Uani 1 1 d . . . . .
C19 C 1.7210(4) 0.1584(5) 1.0293(4) 0.0303(11) Uani 1 1 d . . . . .
H19 H 1.7427 0.2049 0.9440 0.036 Uiso 1 1 calc R . . . .
C6 C 1.3820(4) 0.5835(4) 0.6584(4) 0.0223(9) Uani 1 1 d . . . . .
C3 C 1.3867(4) 0.7233(4) 0.3937(4) 0.0251(10) Uani 1 1 d . . . . .
H3 H 1.3880 0.7708 0.3055 0.030 Uiso 1 1 calc R . . . .
C23 C 1.8124(4) 0.0341(5) 1.1083(5) 0.0314(11) Uani 1 1 d . . . . .
H23 H 1.8957 0.0006 1.0736 0.038 Uiso 1 1 calc R . . . .
C4 C 1.2642(4) 0.6982(4) 0.4561(4) 0.0246(10) Uani 1 1 d . . . . .
C17 C 1.1715(4) 0.4699(5) 1.2108(4) 0.0298(11) Uani 1 1 d . . . . .
H17 H 1.2449 0.3912 1.2503 0.036 Uiso 1 1 calc R . . . .
C8 C 1.5059(4) 0.6780(4) 0.4621(4) 0.0246(10) Uani 1 1 d . . . . .
C16 C 1.0788(5) 0.5260(5) 1.2825(5) 0.0349(11) Uani 1 1 d . . . . .
H16 H 1.0921 0.4855 1.3701 0.042 Uiso 1 1 calc R . . . .
C21 C 1.5768(5) 0.1419(5) 1.2067(5) 0.0444(14) Uani 1 1 d . . . . .
H21 H 1.4986 0.1790 1.2449 0.053 Uiso 1 1 calc R . . . .
C22 C 1.6704(5) 0.0176(6) 1.2788(5) 0.0524(16) Uani 1 1 d . . . . .
H22 H 1.6518 -0.0295 1.3649 0.063 Uiso 1 1 calc R . . . .
O6W O 1.1870(15) 0.0930(17) 1.1973(18) 0.084(6) Uani 0.44(3) 1 d . U . . .
O3W O 1.3862(11) 0.1091(10) 0.9848(9) 0.082(4) Uani 0.556(17) 1 d . U . . .
O5W O 1.2241(15) 0.0552(12) 1.1377(15) 0.127(6) Uani 0.65(3) 1 d . . . . .
O2W O 0.9923(16) 0.8396(19) 0.706(2) 0.166(10) Uani 0.56(3) 1 d . U . . .
O1W O 1.039(2) 0.925(2) 0.605(2) 0.127(11) Uani 0.42(3) 1 d . U . . .
O7W O 1.090(2) 0.0372(18) 1.4625(19) 0.199(12) Uani 0.57(3) 1 d . U . . .
O4W O 1.502(3) -0.047(2) 1.057(2) 0.103(11) Uani 0.272(17) 1 d . U . . .
O8W O 1.250(2) 0.091(2) 1.406(2) 0.320(19) Uani 0.70(4) 1 d . U . . .


_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 O4 1.972(3) 1_455 ?
Zn1 O1 1.961(3) . ?
Zn1 C1 2.596(4) 1_455 ?
Zn1 N3 2.034(4) 1_464 ?
Zn1 N1 2.022(4) 1_554 ?
O4 Zn1 1.972(3) 1_655 ?
O4 C1 1.265(5) . ?
O2 C2 1.240(5) . ?
O1 C2 1.274(5) . ?
O3 C1 1.237(6) . ?
N2 C11 1.345(5) . ?
N2 C12 1.343(5) . ?
C2 C4 1.499(6) . ?
C1 Zn1 2.596(4) 1_655 ?
C1 C8 1.506(6) . ?
N3 Zn1 2.034(4) 1_646 ?
N3 C23 1.318(6) . ?
N3 C22 1.354(6) . ?
C18 C11 1.485(6) . ?
C18 C14 1.394(6) . ?
C18 C17 1.392(6) . ?
C13 C12 1.373(6) . ?
C13 C9 1.395(5) . ?
N1 Zn1 2.022(4) 1_556 ?
N1 C15 1.329(6) . ?
N1 C16 1.345(5) . ?
C11 C10 1.383(6) . ?
C20 C12 1.499(5) . ?
C20 C19 1.369(6) . ?
C20 C21 1.378(7) . ?
C7 C6 1.396(6) . ?
C7 C8 1.384(6) . ?
C14 C15 1.385(6) . ?
C5 C6 1.382(5) . ?
C5 C4 1.395(6) . ?
C10 C9 1.394(6) . ?
C9 C6 1.479(6) . ?
C19 C23 1.388(6) . ?
C3 C4 1.389(6) . ?
C3 C8 1.375(6) . ?
C17 C16 1.364(7) . ?
C21 C22 1.374(6) . ?
O6W O5W 0.943(15) . ?
O3W O4W 1.29(3) 2_857 ?
O3W O4W 1.67(3) . ?
O2W O1W 1.28(2) . ?
O1W O7W 1.71(3) 1_564 ?
O1W O7W 1.47(2) 2_767 ?
O7W O1W 1.71(3) 1_546 ?
O7W O1W 1.47(2) 2_767 ?
O4W O3W 1.29(3) 2_857 ?
O4W O4W 1.27(4) 2_857 ?

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
O4 Zn1 C1 28.16(14) 1_455 1_455 ?
O4 Zn1 N3 103.80(14) 1_455 1_464 ?
O4 Zn1 N1 117.31(14) 1_455 1_554 ?
O1 Zn1 O4 100.40(12) . 1_455 ?
O1 Zn1 C1 128.51(14) . 1_455 ?
O1 Zn1 N3 115.14(15) . 1_464 ?
O1 Zn1 N1 102.70(14) . 1_554 ?
N3 Zn1 C1 90.50(14) 1_464 1_455 ?
N1 Zn1 C1 103.72(15) 1_554 1_455 ?
N1 Zn1 N3 116.73(16) 1_554 1_464 ?
C1 O4 Zn1 104.5(3) . 1_655 ?
C2 O1 Zn1 111.2(3) . . ?
C12 N2 C11 117.4(4) . . ?
O2 C2 O1 123.8(4) . . ?
O2 C2 C4 120.2(4) . . ?
O1 C2 C4 116.0(4) . . ?
O4 C1 Zn1 47.36(19) . 1_655 ?
O4 C1 C8 117.1(4) . . ?
O3 C1 Zn1 76.2(2) . 1_655 ?
O3 C1 O4 123.3(4) . . ?
O3 C1 C8 119.7(4) . . ?
C8 C1 Zn1 163.3(3) . 1_655 ?
C23 N3 Zn1 124.9(3) . 1_646 ?
C23 N3 C22 116.3(4) . . ?
C22 N3 Zn1 116.3(3) . 1_646 ?
C14 C18 C11 123.1(4) . . ?
C17 C18 C11 120.3(4) . . ?
C17 C18 C14 116.5(4) . . ?
C12 C13 C9 120.0(4) . . ?
C15 N1 Zn1 121.9(3) . 1_556 ?
C15 N1 C16 117.6(4) . . ?
C16 N1 Zn1 118.0(3) . 1_556 ?
N2 C11 C18 114.9(4) . . ?
N2 C11 C10 122.9(4) . . ?
C10 C11 C18 122.0(4) . . ?
C19 C20 C12 123.7(4) . . ?
C19 C20 C21 117.1(4) . . ?
C21 C20 C12 119.1(4) . . ?
N2 C12 C13 123.1(4) . . ?
N2 C12 C20 114.3(4) . . ?
C13 C12 C20 122.6(4) . . ?
C8 C7 C6 120.7(4) . . ?
C15 C14 C18 119.2(4) . . ?
C6 C5 C4 120.9(4) . . ?
C11 C10 C9 119.7(4) . . ?
N1 C15 C14 123.2(4) . . ?
C13 C9 C6 122.5(4) . . ?
C10 C9 C13 117.0(4) . . ?
C10 C9 C6 120.6(4) . . ?
C20 C19 C23 119.4(4) . . ?
C7 C6 C9 120.2(4) . . ?
C5 C6 C7 118.7(4) . . ?
C5 C6 C9 121.1(4) . . ?
C8 C3 C4 120.2(4) . . ?
N3 C23 C19 124.0(4) . . ?
C5 C4 C2 120.6(4) . . ?
C3 C4 C2 120.0(4) . . ?
C3 C4 C5 119.4(4) . . ?
C16 C17 C18 120.7(4) . . ?
C7 C8 C1 120.4(4) . . ?
C3 C8 C1 119.5(4) . . ?
C3 C8 C7 120.1(4) . . ?
N1 C16 C17 122.4(5) . . ?
C22 C21 C20 120.2(4) . . ?
N3 C22 C21 122.6(5) . . ?
O4W O3W O4W 48.9(16) 2_857 . ?
O2W O1W O7W 90.7(17) . 2_767 ?
O2W O1W O7W 174(2) . 1_564 ?
O7W O1W O7W 84.2(18) 2_767 1_564 ?
O1W O7W O1W 95.8(18) 2_767 1_546 ?
O3W O4W O3W 131.1(16) 2_857 . ?
O4W O4W O3W 50.0(19) 2_857 . ?
O4W O4W O3W 81(3) 2_857 2_857 ?

_olex2_submission_special_instructions 'No special instructions were received'
_oxdiff_exptl_absorpt_empirical_details 
;
Empirical correction (ABSPACK) includes:
- Absorption correction using spherical harmonics
- Frame scaling
;
_oxdiff_exptl_absorpt_empirical_full_max 2.041
_oxdiff_exptl_absorpt_empirical_full_min 0.490
