# Electronic Supplementary Material (ESI) for Inorganic Chemistry Frontiers.
# This journal is © the Partner Organisations 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_p151225b3_sq
_database_code_depnum_ccdc_archive 'CCDC 1842585'
_audit_update_record             
;
2018-05-11 deposited with the CCDC.
2018-11-29 downloaded from the CCDC.
;
_audit_creation_date             2018-04-17
_audit_creation_method           
;
Olex2 1.2
(compiled 2017.03.28 svn.r3405 for OlexSys, GUI svn.r5335)
;
_shelx_SHELXL_version_number     2014/7
_chemical_name_common            ?
_chemical_name_systematic        ?
_chemical_formula_moiety         '0.25(C224 H152 N32 O32 Zn8)'
_chemical_formula_sum            'C56 H38 N8 O8 Zn2'
_chemical_formula_weight         1081.68
_chemical_melting_point          ?
_chemical_oxdiff_formula         'C Zn'
_chemical_oxdiff_usercomment     KXM-K27
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      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                   15.4791(7)
_cell_length_b                   12.9401(7)
_cell_length_c                   24.5733(14)
_cell_angle_alpha                90
_cell_angle_beta                 97.226(5)
_cell_angle_gamma                90
_cell_volume                     4883.0(4)
_cell_formula_units_Z            4
_cell_measurement_reflns_used    1708
_cell_measurement_temperature    120.8(2)
_cell_measurement_theta_max      27.2370
_cell_measurement_theta_min      3.3570
_shelx_estimated_absorpt_T_max   ?
_shelx_estimated_absorpt_T_min   ?
_exptl_absorpt_coefficient_mu    1.049
_exptl_absorpt_correction_T_max  1.00000
_exptl_absorpt_correction_T_min  0.74232
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   
;
CrysAlisPro 1.171.38.41 (Rigaku Oxford Diffraction, 2015)
Empirical absorption correction using spherical harmonics,
 implemented in SCALE3 ABSPACK scaling algorithm.
;
_exptl_absorpt_special_details   ?
_exptl_crystal_colour            colourless
_exptl_crystal_density_diffrn    1.471
_exptl_crystal_density_meas      ?
_exptl_crystal_density_method    ?
_exptl_crystal_description       block
_exptl_crystal_F_000             2216
_exptl_crystal_size_max          0.16
_exptl_crystal_size_mid          0.13
_exptl_crystal_size_min          0.11
_exptl_transmission_factor_max   ?
_exptl_transmission_factor_min   ?
_diffrn_reflns_av_R_equivalents  0.0532
_diffrn_reflns_av_unetI/netI     0.0926
_diffrn_reflns_Laue_measured_fraction_full 0.998
_diffrn_reflns_Laue_measured_fraction_max 0.998
_diffrn_reflns_limit_h_max       18
_diffrn_reflns_limit_h_min       -15
_diffrn_reflns_limit_k_max       15
_diffrn_reflns_limit_k_min       -15
_diffrn_reflns_limit_l_max       29
_diffrn_reflns_limit_l_min       -29
_diffrn_reflns_number            9965
_diffrn_reflns_point_group_measured_fraction_full 0.998
_diffrn_reflns_point_group_measured_fraction_max 0.998
_diffrn_reflns_theta_full        25.010
_diffrn_reflns_theta_max         25.010
_diffrn_reflns_theta_min         2.952
_diffrn_ambient_environment      N~2~
_diffrn_ambient_temperature      120.8(2)
_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     20.00  86.00   1.00   35.00    --   18.94  77.00 -30.00   66
  2  ω     -1.00  88.00   1.00   35.00    --   18.94  57.00-150.00   89
  3  ω    -18.00   9.00   1.00   35.00    --  -19.25 -77.00-180.00   27
  4  ω     24.00  61.00   1.00   35.00    --   18.94 -99.00  60.00   37
  5  ω    -42.00 -10.00   1.00   35.00    --  -19.25  37.00 120.00   32
;
_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      0.0328892000
_diffrn_orient_matrix_UB_12      0.0379448000
_diffrn_orient_matrix_UB_13      -0.0008135000
_diffrn_orient_matrix_UB_21      0.0318284000
_diffrn_orient_matrix_UB_22      -0.0395537000
_diffrn_orient_matrix_UB_23      0.0004242000
_diffrn_orient_matrix_UB_31      -0.0062675000
_diffrn_orient_matrix_UB_32      -0.0015870000
_diffrn_orient_matrix_UB_33      -0.0290673000
_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                2879
_reflns_number_total             4299
_reflns_odcompleteness_completeness 99.79
_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.
 
 Structure factors included contributions from the .fab file.
 
 _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 1.171.38.41 (Rigaku OD, 2015)'
_computing_data_collection       'CrysAlisPro 1.171.38.41 (Rigaku OD, 2015)'
_computing_data_reduction        'CrysAlisPro 1.171.38.41 (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         0.408
_refine_diff_density_min         -0.455
_refine_diff_density_rms         0.082
_refine_ls_extinction_coef       .
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.067
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     334
_refine_ls_number_reflns         4299
_refine_ls_number_restraints     0
_refine_ls_R_factor_all          0.1011
_refine_ls_R_factor_gt           0.0600
_refine_ls_restrained_S_all      1.067
_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)+(0.0412P)²+2.5368P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1129
_refine_ls_wR_factor_ref         0.1302
_refine_special_details          ?
_olex2_refinement_description    
;
1. Fixed Uiso
 At 1.2 times of:
  All C(H) groups, All N(H) groups
2.a Aromatic/amide H refined with riding coordinates:
 C3(H3), C10(H10), C15(H15), C7(H7), C6(H6), C5(H5), C14(H14), N3(H3A), C9(H9),
  C20(H20), C13(H13), C23(H23), C12(H12), C25(H25), C26(H26), C28(H28),
 C18(H18), C17(H17), C27(H27)
;
_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 0.37339(3) 0.75337(4) 0.47974(2) 0.02596(18) Uani 1 1 d . . . . .
O1 O 0.32105(18) 0.6138(2) 0.45478(12) 0.0283(8) Uani 1 1 d . . . . .
O3 O 0.4776(2) 0.8614(2) 0.48171(14) 0.0382(9) Uani 1 1 d . . . . .
O4 O 0.49493(19) 0.7199(2) 0.43478(13) 0.0313(8) Uani 1 1 d . . . . .
N1 N 0.3024(2) 0.8294(3) 0.41146(15) 0.0288(10) Uani 1 1 d . . . . .
N2 N 0.4358(2) 0.6740(3) 0.55127(15) 0.0297(10) Uani 1 1 d . . . . .
C4 C 0.6124(3) 0.8408(3) 0.44557(16) 0.0193(10) Uani 1 1 d . . . . .
O2 O 0.68515(19) 1.1517(2) 0.46781(11) 0.0245(7) Uani 1 1 d . . . . .
C3 C 0.6350(3) 0.9448(3) 0.45410(15) 0.0183(10) Uani 1 1 d . . . . .
H3 H 0.5943 0.9917 0.4642 0.022 Uiso 1 1 calc R . . . .
C10 C 0.2509(3) 0.9866(4) 0.36726(19) 0.0414(14) Uani 1 1 d . . . . .
H10 H 0.2496 1.0584 0.3683 0.050 Uiso 1 1 calc R . . . .
C8 C 0.5222(3) 0.8052(4) 0.45412(18) 0.0248(11) Uani 1 1 d . . . . .
C15 C 0.4913(3) 0.5179(4) 0.5944(2) 0.0379(13) Uani 1 1 d . . . . .
H15 H 0.4984 0.4468 0.5916 0.045 Uiso 1 1 calc R . . . .
C2 C 0.7183(3) 0.9778(3) 0.44743(16) 0.0186(10) Uani 1 1 d . . . . .
C7 C 0.7793(3) 0.9069(3) 0.43400(17) 0.0252(11) Uani 1 1 d . . . . .
H7 H 0.8356 0.9287 0.4303 0.030 Uiso 1 1 calc R . . . .
C6 C 0.7569(3) 0.8037(4) 0.42599(17) 0.0270(11) Uani 1 1 d . . . . .
H6 H 0.7982 0.7564 0.4171 0.032 Uiso 1 1 calc R . . . .
C5 C 0.6733(3) 0.7713(3) 0.43122(17) 0.0265(11) Uani 1 1 d . . . . .
H5 H 0.6580 0.7025 0.4250 0.032 Uiso 1 1 calc R . . . .
C16 C 0.5228(3) 0.5680(4) 0.64226(19) 0.0301(12) Uani 1 1 d . . . . .
C14 C 0.4491(3) 0.5729(4) 0.5505(2) 0.0346(13) Uani 1 1 d . . . . .
H14 H 0.4290 0.5368 0.5187 0.042 Uiso 1 1 calc R . . . .
N3 N 0.6547(3) 0.4083(4) 0.77696(17) 0.0499(13) Uani 1 1 d . . . . .
H3A H 0.6823 0.3759 0.8044 0.060 Uiso 1 1 calc R . . . .
C9 C 0.2983(3) 0.9321(4) 0.40914(19) 0.0369(13) Uani 1 1 d . . . . .
H9 H 0.3293 0.9694 0.4375 0.044 Uiso 1 1 calc R . . . .
C19 C 0.5691(3) 0.5109(4) 0.6895(2) 0.0341(13) Uani 1 1 d . . . . .
C20 C 0.5696(3) 0.4049(4) 0.69097(19) 0.0321(12) Uani 1 1 d . . . . .
H20 H 0.5407 0.3680 0.6617 0.039 Uiso 1 1 calc R . . . .
C13 C 0.2583(3) 0.7788(4) 0.36899(19) 0.0369(13) Uani 1 1 d . . . . .
H13 H 0.2610 0.7071 0.3689 0.044 Uiso 1 1 calc R . . . .
C22 C 0.6552(3) 0.5126(5) 0.7768(2) 0.0392(14) Uani 1 1 d . . . . .
N4 N 0.6156(4) 0.0217(5) 0.7448(3) 0.0710(17) Uani 1 1 d . . . . .
C23 C 0.6121(3) 0.5628(4) 0.73315(18) 0.0318(12) Uani 1 1 d . . . . .
H23 H 0.6119 0.6347 0.7329 0.038 Uiso 1 1 calc R . . . .
C12 C 0.2097(3) 0.8265(4) 0.3261(2) 0.0414(14) Uani 1 1 d . . . . .
H12 H 0.1794 0.7871 0.2983 0.050 Uiso 1 1 calc R . . . .
C25 C 0.5676(3) 0.1786(5) 0.6972(2) 0.0429(14) Uani 1 1 d . . . . .
H25 H 0.5353 0.2092 0.6670 0.052 Uiso 1 1 calc R . . . .
C24 C 0.6127(3) 0.2392(5) 0.73769(19) 0.0406(14) Uani 1 1 d . . . . .
C26 C 0.5710(4) 0.0719(5) 0.7022(3) 0.0593(18) Uani 1 1 d . . . . .
H26 H 0.5406 0.0326 0.6744 0.071 Uiso 1 1 calc R . . . .
C21 C 0.6117(3) 0.3529(5) 0.73474(19) 0.0375(14) Uani 1 1 d . . . . .
C28 C 0.6596(4) 0.1880(6) 0.7815(2) 0.0580(18) Uani 1 1 d . . . . .
H28 H 0.6916 0.2254 0.8095 0.070 Uiso 1 1 calc R . . . .
C18 C 0.4668(4) 0.7222(4) 0.5976(2) 0.0496(16) Uani 1 1 d . . . . .
H18 H 0.4593 0.7934 0.5994 0.060 Uiso 1 1 calc R . . . .
C17 C 0.5090(4) 0.6732(4) 0.6427(2) 0.0531(16) Uani 1 1 d . . . . .
H17 H 0.5285 0.7112 0.6740 0.064 Uiso 1 1 calc R . . . .
C27 C 0.6585(4) 0.0838(7) 0.7833(3) 0.072(2) Uani 1 1 d . . . . .
H27 H 0.6898 0.0521 0.8136 0.086 Uiso 1 1 calc R . . . .
C11 C 0.2052(3) 0.9337(4) 0.32366(19) 0.0351(13) Uani 1 1 d . . . . .
C1 C 0.7423(3) 1.0897(3) 0.45753(16) 0.0194(10) Uani 1 1 d . . . . .


_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 2.042(3) . ?
Zn1 O3 2.130(3) . ?
Zn1 O4 2.339(3) . ?
Zn1 N1 2.128(4) . ?
Zn1 N2 2.157(4) . ?
Zn1 O2 2.070(3) 5_676 ?
Zn1 C8 2.553(4) . ?
O1 C1 1.269(5) 3_445 ?
O3 C8 1.258(5) . ?
O4 C8 1.255(5) . ?
N1 C9 1.331(6) . ?
N1 C13 1.343(5) . ?
N2 C14 1.324(6) . ?
N2 C18 1.334(6) . ?
C4 C3 1.400(6) . ?
C4 C8 1.509(6) . ?
C4 C5 1.380(6) . ?
O2 Zn1 2.070(3) 5_676 ?
O2 C1 1.243(5) . ?
C3 C2 1.388(5) . ?
C10 C9 1.380(6) . ?
C10 C11 1.388(7) . ?
C15 C16 1.377(6) . ?
C15 C14 1.385(7) . ?
C2 C7 1.385(6) . ?
C2 C1 1.507(6) . ?
C7 C6 1.388(6) . ?
C6 C5 1.382(6) . ?
C16 C19 1.484(7) . ?
C16 C17 1.377(7) . ?
N3 C22 1.350(7) . ?
N3 C21 1.364(6) . ?
C19 C20 1.373(7) . ?
C19 C23 1.366(6) . ?
C20 C21 1.364(6) . ?
C13 C12 1.364(6) . ?
C22 C23 1.356(7) . ?
C22 C11 1.478(7) 8_566 ?
N4 C26 1.347(8) . ?
N4 C27 1.351(8) . ?
C12 C11 1.390(7) . ?
C25 C24 1.385(7) . ?
C25 C26 1.386(8) . ?
C24 C21 1.473(7) . ?
C24 C28 1.389(7) . ?
C28 C27 1.350(9) . ?
C18 C17 1.369(7) . ?
C11 C22 1.478(7) 8_465 ?
C1 O1 1.269(5) 3 ?

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 O3 149.07(13) . . ?
O1 Zn1 O4 90.36(11) . . ?
O1 Zn1 N1 91.49(13) . . ?
O1 Zn1 N2 86.76(13) . . ?
O1 Zn1 O2 121.58(12) . 5_676 ?
O1 Zn1 C8 119.64(14) . . ?
O3 Zn1 O4 58.72(11) . . ?
O3 Zn1 N2 91.94(14) . . ?
O3 Zn1 C8 29.43(12) . . ?
O4 Zn1 C8 29.31(11) . . ?
N1 Zn1 O3 91.67(14) . . ?
N1 Zn1 O4 94.58(12) . . ?
N1 Zn1 N2 175.53(14) . . ?
N1 Zn1 C8 94.40(14) . . ?
N2 Zn1 O4 89.55(12) . . ?
N2 Zn1 C8 90.03(14) . . ?
O2 Zn1 O3 89.20(12) 5_676 . ?
O2 Zn1 O4 147.70(11) 5_676 . ?
O2 Zn1 N1 89.62(13) 5_676 . ?
O2 Zn1 N2 87.80(13) 5_676 . ?
O2 Zn1 C8 118.47(13) 5_676 . ?
C1 O1 Zn1 123.3(3) 3_445 . ?
C8 O3 Zn1 94.3(3) . . ?
C8 O4 Zn1 84.9(3) . . ?
C9 N1 Zn1 120.8(3) . . ?
C9 N1 C13 115.9(4) . . ?
C13 N1 Zn1 123.3(3) . . ?
C14 N2 Zn1 120.9(3) . . ?
C14 N2 C18 115.7(4) . . ?
C18 N2 Zn1 123.3(3) . . ?
C3 C4 C8 119.4(4) . . ?
C5 C4 C3 119.9(4) . . ?
C5 C4 C8 120.7(4) . . ?
C1 O2 Zn1 152.6(3) . 5_676 ?
C2 C3 C4 119.8(4) . . ?
C9 C10 C11 119.7(5) . . ?
O3 C8 Zn1 56.3(2) . . ?
O3 C8 C4 118.6(4) . . ?
O4 C8 Zn1 65.8(2) . . ?
O4 C8 O3 122.1(4) . . ?
O4 C8 C4 119.3(4) . . ?
C4 C8 Zn1 173.4(3) . . ?
C16 C15 C14 120.3(5) . . ?
C3 C2 C1 119.2(4) . . ?
C7 C2 C3 119.7(4) . . ?
C7 C2 C1 121.0(4) . . ?
C2 C7 C6 120.4(4) . . ?
C5 C6 C7 119.9(4) . . ?
C4 C5 C6 120.3(4) . . ?
C15 C16 C19 121.2(4) . . ?
C15 C16 C17 115.7(5) . . ?
C17 C16 C19 123.1(5) . . ?
N2 C14 C15 123.7(4) . . ?
C22 N3 C21 121.7(5) . . ?
N1 C9 C10 124.0(5) . . ?
C20 C19 C16 121.2(4) . . ?
C23 C19 C16 120.6(5) . . ?
C23 C19 C20 118.1(5) . . ?
C21 C20 C19 120.9(5) . . ?
N1 C13 C12 123.9(5) . . ?
N3 C22 C23 118.7(5) . . ?
N3 C22 C11 118.1(5) . 8_566 ?
C23 C22 C11 123.2(5) . 8_566 ?
C26 N4 C27 114.6(6) . . ?
C22 C23 C19 121.8(5) . . ?
C13 C12 C11 120.3(5) . . ?
C24 C25 C26 119.3(6) . . ?
C25 C24 C21 121.9(5) . . ?
C25 C24 C28 117.1(6) . . ?
C28 C24 C21 121.0(5) . . ?
N4 C26 C25 124.0(6) . . ?
N3 C21 C24 119.1(5) . . ?
C20 C21 N3 118.7(5) . . ?
C20 C21 C24 122.2(5) . . ?
C27 C28 C24 119.6(6) . . ?
N2 C18 C17 123.9(5) . . ?
C18 C17 C16 120.6(5) . . ?
C28 C27 N4 125.4(6) . . ?
C10 C11 C22 122.4(5) . 8_465 ?
C10 C11 C12 116.2(5) . . ?
C12 C11 C22 121.4(5) . 8_465 ?
O1 C1 C2 116.4(4) 3 . ?
O2 C1 O1 124.4(4) . 3 ?
O2 C1 C2 119.2(4) . . ?


_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 1.621
_oxdiff_exptl_absorpt_empirical_full_min 0.635
