# Supplementary Information (SI) for Materials Advances.
# This journal is © The Royal Society of Chemistry 2026

####################################################################### 
# 
# 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_AgTe4MeO
_database_code_depnum_ccdc_archive 'CCDC 2463202'
loop_
_audit_author_name
_audit_author_address
'Daniel Paley'
;Lawrence Berkeley National Laboratory
United States of America
;
_audit_update_record             
;
2025-06-09 deposited with the CCDC.	2026-04-09 downloaded from the CCDC.
;
_audit_creation_date             2025-03-28
_audit_creation_method           
;
Olex2 1.5
(compiled 2025.03.06 svn.red2d20d0 for OlexSys, GUI svn.r7188)
;
_shelx_SHELXL_version_number     2018/3
# start Validation Reply Form
_vrf_RINTA01_AgTe4MeO            
;
PROBLEM: The value of Rint is greater than 0.18
RESPONSE: The dataset was synthesized from 90 deg sweeps on 6 microcrystals.
Therefore the intensities were weak and scaling was challenging.
;
_vrf_PLAT051_AgTe4MeO            
;
PROBLEM: Mu(calc) and Mu(cif) Ratio Differs from 1.0 by . 188.06 %
RESPONSE: The measurement was right at the Ag K-edge and it appears Platon
and Olex2 are using two different scattering factor tables.
;
# end Validation Reply Form
_chemical_name_common            AgTe-4M
_chemical_name_systematic        'Silver 4-methoxybenzenetellurolate'
_chemical_formula_moiety         'C7 H7 Ag O Te'
_chemical_formula_sum            'C7 H7 Ag O Te'
_chemical_formula_weight         342.60
_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 0.0006 0.0007 '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'
Ag Ag -8.3441 3.6184 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
O O 0.0036 0.0026 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Te Te -1.3173 0.8499 '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      orthorhombic
_space_group_IT_number           64
_space_group_name_H-M_alt        'C m c e'
_space_group_name_Hall           '-C 2bc 2'
loop_
_space_group_symop_operation_xyz
'x, y, z'
'-x, -y+1/2, z+1/2'
'-x, y+1/2, -z+1/2'
'x, -y, -z'
'x+1/2, y+1/2, z'
'-x+1/2, -y+1, z+1/2'
'-x+1/2, y+1, -z+1/2'
'x+1/2, -y+1/2, -z'
'-x, -y, -z'
'x, y-1/2, -z-1/2'
'x, -y-1/2, z-1/2'
'-x, y, z'
'-x+1/2, -y+1/2, -z'
'x+1/2, y, -z-1/2'
'x+1/2, -y, z-1/2'
'-x+1/2, y+1/2, z'

_cell_length_a                   7.4688(3)
_cell_length_b                   5.9438(2)
_cell_length_c                   35.972(2)
_cell_angle_alpha                90.0
_cell_angle_beta                 90.00
_cell_angle_gamma                90.00
#_cell_angle_beta                 90.00000000000001
#_cell_angle_gamma                90.00000000000001
_cell_volume                     1596.90(10)
_cell_formula_units_Z            8
_cell_measurement_reflns_used    365
_cell_measurement_temperature    150.15
_cell_measurement_theta_max      14.289179946319207
_cell_measurement_theta_min      1.7679265180137977
_shelx_estimated_absorpt_T_max   ?
_shelx_estimated_absorpt_T_min   ?
_exptl_absorpt_coefficient_mu    2.202
_exptl_absorpt_correction_T_max  ?
_exptl_absorpt_correction_T_min  ?
_exptl_absorpt_correction_type   ?
_exptl_absorpt_process_details   ?
_exptl_absorpt_special_details   ?
_exptl_crystal_colour            Yellowish-brown
_exptl_crystal_density_diffrn    2.850
_exptl_crystal_density_meas      ?
_exptl_crystal_density_method    ?
_exptl_crystal_description       '6 microcrystals'
_exptl_crystal_F_000             1248
_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  0.2051
_diffrn_reflns_av_unetI/netI     0.1255
_diffrn_reflns_Laue_measured_fraction_full 0.982
_diffrn_reflns_Laue_measured_fraction_max 0.979
_diffrn_reflns_limit_h_max       9
_diffrn_reflns_limit_h_min       -9
_diffrn_reflns_limit_k_max       7
_diffrn_reflns_limit_k_min       -7
_diffrn_reflns_limit_l_max       42
_diffrn_reflns_limit_l_min       -44
_diffrn_reflns_number            4700
_diffrn_reflns_point_group_measured_fraction_full 0.982
_diffrn_reflns_point_group_measured_fraction_max 0.979
_diffrn_reflns_theta_full        16.950
_diffrn_reflns_theta_max         17.669
_diffrn_reflns_theta_min         1.548
_diffrn_ambient_temperature      150.15
_diffrn_detector_area_resol_mean ?
_diffrn_measured_fraction_theta_full 0.982
_diffrn_measured_fraction_theta_max 0.979
_diffrn_measurement_device_type  'Si wafer on kappa goniometer'
_diffrn_measurement_method       ?
_diffrn_radiation_type           synchrotron
_diffrn_radiation_wavelength     0.4859
_diffrn_source                   ?
_reflns_Friedel_coverage         0.000
_reflns_Friedel_fraction_full    .
_reflns_Friedel_fraction_max     .
_reflns_number_gt                508
_reflns_number_total             857
_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       ?
_computing_data_collection       ?
_computing_data_reduction        ?
_computing_molecular_graphics    'Olex2 1.5 (Dolomanov et al., 2009)'
_computing_publication_material  'Olex2 1.5 (Dolomanov et al., 2009)'
_computing_structure_refinement  'SHELXL 2018/3 (Sheldrick, 2015)'
_computing_structure_solution    'SHELXT 2018/2 (Sheldrick, 2018)'
_refine_diff_density_max         1.643
_refine_diff_density_min         -1.037
_refine_diff_density_rms         0.254
_refine_ls_extinction_coef       .
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   0.922
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     73
_refine_ls_number_reflns         857
_refine_ls_number_restraints     56
_refine_ls_R_factor_all          0.1022
_refine_ls_R_factor_gt           0.0548
_refine_ls_restrained_S_all      0.896
_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)+(0.0653P)²] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1189
_refine_ls_wR_factor_ref         0.1362
_refine_special_details          ?
_olex2_refinement_description    
;
1. Fixed Uiso
 At 1.2 times of:
  All C(H) groups
 At 1.5 times of:
  All C(H,H,H) groups
2. Restrained planarity
 Te1, C1, C6, C5, C4, C3, C2, O7
 with sigma of 0.1
3. Rigid body (RIGU) restrains
 C1, C6, C5, C4, C3, C2, C8, O7
 with sigma for 1-2 distances of 0.004 and sigma for 1-3 distances of 0.004
4. Others
 Fixed Sof: C1(0.5) C6(0.5) H6(0.5) C5(0.5) H5(0.5) C4(0.5) C3(0.5) H3(0.5)
 C2(0.5) H2(0.5) C8(0.5) H8A(0.5) H8B(0.5) H8C(0.5) O7(0.5)
5.a Aromatic/amide H refined with riding coordinates:
 C6(H6), C5(H5), C3(H3), C2(H2)
5.b Fitted hexagon refined as free rotating group:
 C1(C6,C5,C4,C3,C2)
5.c Idealised Me refined as rotating group:
 C8(H8A,H8B,H8C)
;
_atom_sites_solution_hydrogens   geom
_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
Te1 Te 0.500000 0.17410(17) 0.54103(3) 0.0357(4) Uani 1 2 d S T P . .
Ag1 Ag 0.6919(3) 0.500000 0.500000 0.0518(6) Uani 1 2 d S T P A .
C1 C 0.4983(16) 0.3084(16) 0.5957(2) 0.028(3) Uani 0.5 1 d G . P A -1
C6 C 0.5785(18) 0.5130(17) 0.6043(3) 0.038(5) Uani 0.5 1 d G . P A -1
H6 H 0.635601 0.598032 0.585322 0.046 Uiso 0.5 1 calc R U P A -1
C5 C 0.575(2) 0.5933(15) 0.6406(3) 0.030(4) Uani 0.5 1 d G . P A -1
H5 H 0.629935 0.733089 0.646414 0.037 Uiso 0.5 1 calc R U P A -1
C4 C 0.492(2) 0.4689(17) 0.6683(2) 0.036(4) Uani 0.5 1 d G . P A -1
C3 C 0.411(2) 0.2643(18) 0.6598(3) 0.042(5) Uani 0.5 1 d G . P A -1
H3 H 0.354219 0.179311 0.678738 0.051 Uiso 0.5 1 calc R U P A -1
C2 C 0.4147(19) 0.1841(14) 0.6235(3) 0.043(5) Uani 0.5 1 d G . P A -1
H2 H 0.359883 0.044250 0.617646 0.051 Uiso 0.5 1 calc R U P A -1
C8 C 0.586(4) 0.729(4) 0.7165(8) 0.073(10) Uani 0.5 1 d . . P A -1
H8A H 0.553252 0.860660 0.701678 0.109 Uiso 0.5 1 calc R U P A -1
H8B H 0.713811 0.695628 0.712827 0.109 Uiso 0.5 1 calc R U P A -1
H8C H 0.564120 0.759610 0.742852 0.109 Uiso 0.5 1 calc R U P A -1
O7 O 0.479(7) 0.534(2) 0.7047(4) 0.047(8) Uani 0.5 1 d . . P A -1

loop_
_atom_site_aniso_label
_atom_site_aniso_U_11
_atom_site_aniso_U_22
_atom_site_aniso_U_33
_atom_site_aniso_U_23
_atom_site_aniso_U_13
_atom_site_aniso_U_12
Te1 0.0263(6) 0.0422(5) 0.0384(6) -0.0111(5) 0.000 0.000
Ag1 0.0311(12) 0.0600(11) 0.0642(14) 0.0030(9) 0.000 0.000
C1 0.023(7) 0.033(6) 0.029(7) -0.001(5) -0.016(13) 0.005(12)
C6 0.050(14) 0.037(7) 0.028(8) 0.000(6) 0.004(8) -0.007(9)
C5 0.027(10) 0.035(8) 0.029(7) -0.005(5) -0.018(7) -0.005(7)
C4 0.033(10) 0.036(6) 0.037(6) -0.001(5) -0.010(11) -0.004(11)
C3 0.053(14) 0.036(7) 0.038(9) 0.009(6) -0.018(9) -0.011(9)
C2 0.053(13) 0.036(9) 0.039(9) 0.005(6) -0.010(9) -0.009(9)
C8 0.11(2) 0.051(11) 0.062(18) -0.015(11) -0.034(16) -0.019(13)
O7 0.05(2) 0.056(6) 0.039(6) -0.010(5) -0.008(11) -0.015(13)

_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
Te1 Ag1 2.8259(14) . ?
Te1 Ag1 2.9229(17) 5_445 ?
Te1 Ag1 2.8259(14) 9_666 ?
Te1 Ag1 2.9229(16) 13_656 ?
Te1 C1 2.124(8) . ?
Ag1 Ag1 3.0959(11) 13_656 ?
Ag1 Ag1 2.867(4) 9_666 ?
Ag1 Ag1 3.0959(11) 13_666 ?
C1 C6 1.3900 . ?
C1 C2 1.3900 . ?
C6 H6 0.9500 . ?
C6 C5 1.3900 . ?
C5 H5 0.9500 . ?
C5 C4 1.3900 . ?
C4 C3 1.3900 . ?
C4 O7 1.368(16) . ?
C3 H3 0.9500 . ?
C3 C2 1.3900 . ?
C2 H2 0.9500 . ?
C8 H8A 0.9800 . ?
C8 H8B 0.9800 . ?
C8 H8C 0.9800 . ?
C8 O7 1.47(4) . ?

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
Ag1 Te1 Ag1 60.96(7) . 9_666 ?
Ag1 Te1 Ag1 103.85(6) 5_445 13_656 ?
Ag1 Te1 Ag1 112.23(4) 9_666 13_656 ?
Ag1 Te1 Ag1 112.23(4) . 5_445 ?
Ag1 Te1 Ag1 65.14(2) 9_666 5_445 ?
Ag1 Te1 Ag1 65.14(2) . 13_656 ?
C1 Te1 Ag1 127.3(3) . 13_656 ?
C1 Te1 Ag1 103.3(3) . . ?
C1 Te1 Ag1 126.6(3) . 5_445 ?
C1 Te1 Ag1 102.9(2) . 9_666 ?
Te1 Ag1 Te1 76.15(6) 5 13_656 ?
Te1 Ag1 Te1 114.86(2) . 13_656 ?
Te1 Ag1 Te1 112.22(4) 9_666 13_656 ?
Te1 Ag1 Te1 112.22(4) . 5 ?
Te1 Ag1 Te1 119.04(7) . 9_666 ?
Te1 Ag1 Te1 114.86(2) 9_666 5 ?
Te1 Ag1 Ag1 59.52(4) 9_666 9_666 ?
Te1 Ag1 Ag1 143.15(5) 9_666 13_656 ?
Te1 Ag1 Ag1 96.85(8) 13_656 13_666 ?
Te1 Ag1 Ag1 59.52(4) . 9_666 ?
Te1 Ag1 Ag1 55.92(5) 5 13_666 ?
Te1 Ag1 Ag1 143.15(5) . 13_666 ?
Te1 Ag1 Ag1 58.94(3) . 13_656 ?
Te1 Ag1 Ag1 58.94(3) 9_666 13_666 ?
Te1 Ag1 Ag1 96.85(8) 5 13_656 ?
Te1 Ag1 Ag1 55.92(5) 13_656 13_656 ?
Ag1 Ag1 Te1 141.92(3) 9_666 13_656 ?
Ag1 Ag1 Te1 141.92(3) 9_666 5 ?
Ag1 Ag1 Ag1 147.45(14) 13_666 13_656 ?
Ag1 Ag1 Ag1 106.27(7) 9_666 13_666 ?
Ag1 Ag1 Ag1 106.27(7) 9_666 13_656 ?
C6 C1 Te1 122.1(6) . . ?
C6 C1 C2 120.0 . . ?
C2 C1 Te1 117.9(6) . . ?
C1 C6 H6 120.0 . . ?
C1 C6 C5 120.0 . . ?
C5 C6 H6 120.0 . . ?
C6 C5 H5 120.0 . . ?
C6 C5 C4 120.0 . . ?
C4 C5 H5 120.0 . . ?
C3 C4 C5 120.0 . . ?
O7 C4 C5 124.5(15) . . ?
O7 C4 C3 115.5(15) . . ?
C4 C3 H3 120.0 . . ?
C2 C3 C4 120.0 . . ?
C2 C3 H3 120.0 . . ?
C1 C2 H2 120.0 . . ?
C3 C2 C1 120.0 . . ?
C3 C2 H2 120.0 . . ?
H8A C8 H8B 109.5 . . ?
H8A C8 H8C 109.5 . . ?
H8B C8 H8C 109.5 . . ?
O7 C8 H8A 109.5 . . ?
O7 C8 H8B 109.5 . . ?
O7 C8 H8C 109.5 . . ?
C4 O7 C8 117(3) . . ?

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
Te1 C1 C6 C5 -179.5(6) . . . . ?
Te1 C1 C2 C3 179.5(5) . . . . ?
C1 C6 C5 C4 0.0 . . . . ?
C6 C1 C2 C3 0.0 . . . . ?
C6 C5 C4 C3 0.0 . . . . ?
C6 C5 C4 O7 -179(2) . . . . ?
C5 C4 C3 C2 0.0 . . . . ?
C5 C4 O7 C8 -11(4) . . . . ?
C4 C3 C2 C1 0.0 . . . . ?
C3 C4 O7 C8 170(2) . . . . ?
C2 C1 C6 C5 0.0 . . . . ?
O7 C4 C3 C2 179(2) . . . . ?

_shelx_res_file                  
;
TITL dials_a.res in Cmca
    dials_a.res
    created by SHELXL-2018/3 at 16:02:05 on 28-Mar-2025
REM Old TITL 20 in C2221
REM SHELXT solution in Cmca: R1 0.193, Rweak 0.011, Alpha 0.030
REM <I/s> 0.277 for 95 systematic absences, Orientation a'=b, b'=a, c'=-c
REM Formula found by SHELXT: C2 O2 Ag Te
CELL 0.4859 7.4687 5.9438 35.9717 90 90 90
ZERR 8 0.0003 0.0002 0.0021 0 0 0
LATT 7
SYMM -X,0.5-Y,0.5+Z
SYMM -X,0.5+Y,0.5-Z
SYMM +X,-Y,-Z
SFAC C H Ag O Te
DISP Ag -8.3441 3.6184 1706.2463
DISP C 0.0006 0.0007 6.0677
DISP H -0 0 0.6065
DISP O 0.0036 0.0026 13.3363
DISP Te -1.3173 0.8499 2628.5713
UNIT 56 56 8 8 8
FLAT Te1 C1 C6 C5 C4 C3 C2 O7
RIGU $c $o
temp -123

L.S. 10
PLAN  10
CONF
BOND
LIST 4
MORE -1
BOND $H
fmap 2
acta
SHEL 999 0.8
OMIT 0 0 2
REM <olex2.extras>
REM <HklSrc "%./dials_a.hkl">
REM </olex2.extras>

WGHT    0.065300
FVAR       0.12788
TE1   5    0.500000    0.174096    0.541031    10.50000    0.02635    0.04220 =
         0.03845   -0.01113    0.00000    0.00000
AG1   3    0.691922    0.500000    0.500000    10.50000    0.03109    0.06004 =
         0.06421    0.00303    0.00000    0.00000
PART -1
AFIX  66
C1    1    0.498276    0.308445    0.595740    10.50000    0.02297    0.03315 =
         0.02862   -0.00145   -0.01641    0.00528
C6    1    0.578483    0.513035    0.604285    10.50000    0.05015    0.03650 =
         0.02801    0.00013    0.00434   -0.00667
AFIX  43
H6    2    0.635601    0.598032    0.585322    10.50000   -1.20000
AFIX  65
C5    1    0.575117    0.593261    0.640574    10.50000    0.02718    0.03479 =
         0.02947   -0.00507   -0.01770   -0.00478
AFIX  43
H5    2    0.629935    0.733089    0.646414    10.50000   -1.20000
AFIX  65
C4    1    0.491545    0.468898    0.668320    10.50000    0.03345    0.03614 =
         0.03722   -0.00092   -0.00975   -0.00402
C3    1    0.411337    0.264307    0.659775    10.50000    0.05327    0.03559 =
         0.03834    0.00894   -0.01777   -0.01104
AFIX  43
H3    2    0.354219    0.179311    0.678738    10.50000   -1.20000
AFIX  65
C2    1    0.414702    0.184079    0.623486    10.50000    0.05334    0.03630 =
         0.03878    0.00498   -0.01039   -0.00852
AFIX  43
H2    2    0.359883    0.044250    0.617646    10.50000   -1.20000
AFIX   0
C8    1    0.586494    0.728761    0.716496    10.50000    0.10500    0.05102 =
         0.06195   -0.01460   -0.03443   -0.01887
AFIX 137
H8A   2    0.553252    0.860660    0.701678    10.50000   -1.50000
H8B   2    0.713811    0.695628    0.712827    10.50000   -1.50000
H8C   2    0.564120    0.759610    0.742852    10.50000   -1.50000
AFIX   0
O7    4    0.478871    0.534212    0.704685    10.50000    0.04557    0.05615 =
         0.03856   -0.00973   -0.00797   -0.01513
HKLF 4




REM  dials_a.res in Cmca
REM wR2 = 0.1362, GooF = S = 0.922, Restrained GooF = 0.896 for all data
REM R1 = 0.0548 for 508 Fo > 4sig(Fo) and 0.1022 for all 857 data
REM 73 parameters refined using 56 restraints

END

WGHT      0.0650      0.0000

REM Highest difference peak  1.643,  deepest hole -1.037,  1-sigma level  0.254
Q1    1   0.5000  0.4012  0.5411  10.50000  0.05    1.64
Q2    1   0.5000  0.1826  0.5692  10.50000  0.05    1.46
Q3    1   0.5000  0.1797  0.5090  10.50000  0.05    1.29
Q4    1   0.5000  0.1194  0.5967  10.50000  0.05    0.97
Q5    1   0.5000  0.9624  0.6697  10.50000  0.05    0.91
Q6    1   0.5000  0.5478  0.5931  10.50000  0.05    0.82
Q7    1   0.5811  0.8105  0.5911  11.00000  0.05    0.80
Q8    1   0.3083  0.3832  0.6294  11.00000  0.05    0.78
Q9    1   0.5000  0.8608  0.6838  10.50000  0.05    0.77
Q10   1   0.5000  0.6813  0.5735  10.50000  0.05    0.76
;
_shelx_res_checksum              15759
_olex2_submission_special_instructions 'No special instructions were received'
_exptl_crystal_preparation       Luminescent
