# Electronic Supplementary Material (ESI) for RSC Advances.
# This journal is © The Royal Society of Chemistry 2022

####################################################################### 
# 
# This file contains crystal structure data downloaded from the 
# Cambridge Structural Database (CSD) hosted by the Cambridge 
# Crystallographic Data Centre (CCDC).
# 
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# guidelines are available at http://www.ccdc.cam.ac.uk/access/V1 
# 
# Audit and citation data items may have been added by the CCDC. 
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data_mo_20190417_bkd_1_2_0m
_audit_block_doi                 10.25505/fiz.icsd.cc2cmrxp
_database_code_depnum_ccdc_archive 'CCDC 2193743'
loop_
_audit_author_name
_audit_author_address
'Jiawei Lin'
;University of Science and Technology Beijing
China
;
_audit_update_record             
;
2022-07-30 deposited with the CCDC.	2022-10-05 downloaded from the CCDC.
;
_audit_creation_date             2019-05-24
_audit_creation_method           
;
Olex2 1.2
(compiled 2018.05.29 svn.r3508 for OlexSys, GUI svn.r5506)
;
_shelx_SHELXL_version_number     2014/7
_chemical_name_common            ?
_chemical_name_systematic        ?
_chemical_formula_moiety         'Cu0.97 K Mn1.03 Te2'
_chemical_formula_sum            'Cu0.97 K Mn1.03 Te2'
_chemical_formula_weight         412.52
_chemical_melting_point          ?
loop_
_atom_type_symbol
_atom_type_description
_atom_type_scat_dispersion_real
_atom_type_scat_dispersion_imag
_atom_type_scat_source
Cu Cu 0.3201 1.2651 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
K K 0.2009 0.2494 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Mn Mn 0.3368 0.7283 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Te Te -0.5308 1.6751 '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      tetragonal
_space_group_IT_number           139
_space_group_name_H-M_alt        'I 4/m m m'
_space_group_name_Hall           '-I 4 2'
loop_
_space_group_symop_operation_xyz
'x, y, z'
'-y, x, z'
'-x, -y, z'
'y, -x, z'
'x, -y, -z'
'-x, y, -z'
'y, x, -z'
'-y, -x, -z'
'x+1/2, y+1/2, z+1/2'
'-y+1/2, x+1/2, z+1/2'
'-x+1/2, -y+1/2, z+1/2'
'y+1/2, -x+1/2, z+1/2'
'x+1/2, -y+1/2, -z+1/2'
'-x+1/2, y+1/2, -z+1/2'
'y+1/2, x+1/2, -z+1/2'
'-y+1/2, -x+1/2, -z+1/2'
'-x, -y, -z'
'y, -x, -z'
'x, y, -z'
'-y, x, -z'
'-x, y, z'
'x, -y, z'
'-y, -x, z'
'y, x, z'
'-x+1/2, -y+1/2, -z+1/2'
'y+1/2, -x+1/2, -z+1/2'
'x+1/2, y+1/2, -z+1/2'
'-y+1/2, x+1/2, -z+1/2'
'-x+1/2, y+1/2, z+1/2'
'x+1/2, -y+1/2, z+1/2'
'-y+1/2, -x+1/2, z+1/2'
'y+1/2, x+1/2, z+1/2'

_cell_length_a                   4.3115(7)
_cell_length_b                   4.3115(7)
_cell_length_c                   14.936(2)
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_volume                     277.64(10)
_cell_formula_units_Z            2
_cell_measurement_reflns_used    1547
_cell_measurement_temperature    293(2)
_cell_measurement_theta_max      27.948
_cell_measurement_theta_min      4.921
_shelx_estimated_absorpt_T_max   ?
_shelx_estimated_absorpt_T_min   ?
_exptl_absorpt_coefficient_mu    16.932
_exptl_absorpt_correction_T_max  293
_exptl_absorpt_correction_T_min  293
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   ?
_exptl_absorpt_special_details   ?
_exptl_crystal_colour            black
_exptl_crystal_density_diffrn    4.935
_exptl_crystal_density_meas      ?
_exptl_crystal_density_method    ?
_exptl_crystal_description       flake
_exptl_crystal_F_000             354
_exptl_crystal_size_max          0.4
_exptl_crystal_size_mid          0.4
_exptl_crystal_size_min          0.1
_exptl_transmission_factor_max   ?
_exptl_transmission_factor_min   ?
_diffrn_reflns_av_R_equivalents  0.0388
_diffrn_reflns_av_unetI/netI     0.0234
_diffrn_reflns_Laue_measured_fraction_full 0.990
_diffrn_reflns_Laue_measured_fraction_max 0.992
_diffrn_reflns_limit_h_max       5
_diffrn_reflns_limit_h_min       -5
_diffrn_reflns_limit_k_max       5
_diffrn_reflns_limit_k_min       -5
_diffrn_reflns_limit_l_max       19
_diffrn_reflns_limit_l_min       -19
_diffrn_reflns_number            1097
_diffrn_reflns_point_group_measured_fraction_full 0.990
_diffrn_reflns_point_group_measured_fraction_max 0.992
_diffrn_reflns_theta_full        25.242
_diffrn_reflns_theta_max         27.948
_diffrn_reflns_theta_min         2.728
_diffrn_ambient_temperature      293(2)
_diffrn_detector_area_resol_mean ?
_diffrn_measured_fraction_theta_full 0.990
_diffrn_measured_fraction_theta_max 0.992
_diffrn_measurement_device_type  'Bruker CCD'
_diffrn_measurement_method       'Bruker CCD'
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_source                   'X-ray tube'
_reflns_Friedel_coverage         0.000
_reflns_Friedel_fraction_full    .
_reflns_Friedel_fraction_max     .
_reflns_number_gt                128
_reflns_number_total             130
_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       'SAINT V8.38A (?, 2016)'
_computing_data_collection       ?
_computing_data_reduction        'SAINT V8.38A (?, 2016)'
_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    'XS (Sheldrick, 2008)'
_refine_diff_density_max         1.667
_refine_diff_density_min         -0.897
_refine_diff_density_rms         0.205
_refine_ls_extinction_coef       .
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.236
_refine_ls_hydrogen_treatment    undef
_refine_ls_matrix_type           full
_refine_ls_number_parameters     9
_refine_ls_number_reflns         130
_refine_ls_number_restraints     0
_refine_ls_R_factor_all          0.0207
_refine_ls_R_factor_gt           0.0202
_refine_ls_restrained_S_all      1.236
_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)+(0.0317P)²] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0497
_refine_ls_wR_factor_ref         0.0499
_refine_special_details          ?
_olex2_refinement_description    
;
1. Shared sites
{Cu1, Mn1}
2. Uiso/Uaniso restraints and constraints
Uanis(Cu1) = Uanis(Mn1)
3. Others
 Sof(Cu1)=0.125*(1-FVAR(2))
 Sof(Mn1)=0.125*FVAR(2)
;
_atom_sites_solution_hydrogens   .
_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
K1 K 0.0000 0.0000 0.0000 0.0325(6) Uani 1 16 d S T P . .
Te1 Te -0.5000 -0.5000 0.13949(3) 0.0190(2) Uani 1 8 d S T P . .
Mn1 Mn -0.5000 -1.0000 0.2500 0.0248(4) Uani 0.52(3) 8 d S T P . .
Cu1 Cu -0.5000 -1.0000 0.2500 0.0248(4) Uani 0.48(3) 8 d S T P . .


_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
K1 K1 4.3115(7) 1_455 ?
K1 K1 4.3115(7) 1_655 ?
K1 K1 4.3115 1_545 ?
K1 K1 4.3115 1_565 ?
K1 Te1 3.6925(4) 17_545 ?
K1 Te1 3.6925(4) 17_445 ?
K1 Te1 3.6925(4) 17_455 ?
K1 Te1 3.6925(4) 1_565 ?
K1 Te1 3.6925(4) 1_665 ?
K1 Te1 3.6925(4) 1_655 ?
K1 Te1 3.6925(4) . ?
K1 Te1 3.6925(4) 17 ?
Te1 K1 3.6925(4) 1_545 ?
Te1 K1 3.6925(4) 1_445 ?
Te1 K1 3.6925(4) 1_455 ?
Te1 Mn1 2.7151(3) . ?
Te1 Mn1 2.7151(4) 25_435 ?
Te1 Mn1 2.7151(4) 25_335 ?
Te1 Mn1 2.7151(3) 1_565 ?
Te1 Cu1 2.7151(3) 1_565 ?
Te1 Cu1 2.7151(4) 25_435 ?
Te1 Cu1 2.7151(4) 25_335 ?
Mn1 Te1 2.7151(4) 25_435 ?
Mn1 Te1 2.7151(3) 1_545 ?
Mn1 Te1 2.7151(4) 25_335 ?
Mn1 Mn1 3.0487(2) 25_435 ?
Mn1 Mn1 3.0487(2) 25_335 ?
Mn1 Mn1 3.0487(2) 25_425 ?
Mn1 Mn1 3.0487(2) 25_325 ?
Mn1 Cu1 3.0487(2) 25_425 ?
Mn1 Cu1 3.0487(2) 25_435 ?
Mn1 Cu1 3.0487(2) 25_335 ?
Mn1 Cu1 3.0487(2) 25_325 ?

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
K1 K1 K1 90.0 1_455 1_545 ?
K1 K1 K1 180.0 1_545 1_565 ?
K1 K1 K1 90.0 1_455 1_565 ?
K1 K1 K1 180.0 1_455 1_655 ?
K1 K1 K1 90.0 1_565 1_655 ?
K1 K1 K1 90.0 1_545 1_655 ?
Te1 K1 K1 125.720(5) 1_655 1_455 ?
Te1 K1 K1 125.719(4) 1_655 1_565 ?
Te1 K1 K1 54.281(6) 17_545 1_655 ?
Te1 K1 K1 54.281(5) . 1_455 ?
Te1 K1 K1 125.720(5) 17_445 1_655 ?
Te1 K1 K1 54.280(4) 17_445 1_545 ?
Te1 K1 K1 54.281(6) 1_565 1_455 ?
Te1 K1 K1 125.720(4) 1_665 1_545 ?
Te1 K1 K1 54.280(5) 17_455 1_455 ?
Te1 K1 K1 125.720(4) 17 1_545 ?
Te1 K1 K1 54.280(5) 17 1_655 ?
Te1 K1 K1 125.719(4) 17_455 1_545 ?
Te1 K1 K1 54.280(5) 1_655 1_655 ?
Te1 K1 K1 54.280(4) 17_545 1_545 ?
Te1 K1 K1 54.280(4) 1_565 1_565 ?
Te1 K1 K1 125.720(4) 1_565 1_545 ?
Te1 K1 K1 125.719(4) . 1_565 ?
Te1 K1 K1 54.281(4) 1_655 1_545 ?
Te1 K1 K1 125.719(6) 17_545 1_455 ?
Te1 K1 K1 54.280(5) 17_445 1_455 ?
Te1 K1 K1 54.280(5) 1_665 1_655 ?
Te1 K1 K1 125.720(4) 17_445 1_565 ?
Te1 K1 K1 125.720(5) 17_455 1_655 ?
Te1 K1 K1 125.720(5) 1_665 1_455 ?
Te1 K1 K1 125.719(6) 1_565 1_655 ?
Te1 K1 K1 125.720(5) 17 1_455 ?
Te1 K1 K1 125.719(5) . 1_655 ?
Te1 K1 K1 54.281(4) 17_455 1_565 ?
Te1 K1 K1 125.720(4) 17_545 1_565 ?
Te1 K1 K1 54.280(4) 1_665 1_565 ?
Te1 K1 K1 54.280(4) 17 1_565 ?
Te1 K1 K1 54.281(4) . 1_545 ?
Te1 K1 Te1 108.561(11) 17_445 1_565 ?
Te1 K1 Te1 71.439(7) 1_565 . ?
Te1 K1 Te1 71.439(11) 17_445 17_545 ?
Te1 K1 Te1 71.439(11) 1_665 1_565 ?
Te1 K1 Te1 68.693(14) 1_665 17 ?
Te1 K1 Te1 108.561(8) 17 1_565 ?
Te1 K1 Te1 108.561(12) 17_455 . ?
Te1 K1 Te1 68.693(14) 17_455 1_565 ?
Te1 K1 Te1 180.0 17_445 1_665 ?
Te1 K1 Te1 180.0 17_545 1_565 ?
Te1 K1 Te1 108.561(8) 1_665 17_455 ?
Te1 K1 Te1 108.561(8) 17_445 1_655 ?
Te1 K1 Te1 71.439(8) 17 17_545 ?
Te1 K1 Te1 71.439(7) 1_665 1_655 ?
Te1 K1 Te1 108.561(7) 17_545 . ?
Te1 K1 Te1 108.561(10) 17 1_655 ?
Te1 K1 Te1 71.439(12) 1_655 . ?
Te1 K1 Te1 180.0 17_455 1_655 ?
Te1 K1 Te1 111.307(14) 17_445 17 ?
Te1 K1 Te1 68.693(14) 17_545 1_655 ?
Te1 K1 Te1 71.439(7) 17_445 17_455 ?
Te1 K1 Te1 111.307(14) 1_565 1_655 ?
Te1 K1 Te1 111.307(14) 17_455 17_545 ?
Te1 K1 Te1 68.693(14) 17_445 . ?
Te1 K1 Te1 108.561(11) 1_665 17_545 ?
Te1 K1 Te1 111.307(14) 1_665 . ?
Te1 K1 Te1 180.0 17 . ?
Te1 K1 Te1 71.439(10) 17 17_455 ?
K1 Te1 K1 111.307(14) 1_445 . ?
K1 Te1 K1 71.439(11) . 1_455 ?
K1 Te1 K1 71.439(7) 1_445 1_455 ?
K1 Te1 K1 71.439(11) 1_445 1_545 ?
K1 Te1 K1 111.307(14) 1_455 1_545 ?
K1 Te1 K1 71.439(8) . 1_545 ?
Mn1 Te1 K1 143.759(3) 25_335 . ?
Mn1 Te1 K1 83.076(10) 25_435 1_545 ?
Mn1 Te1 K1 143.759(5) . . ?
Mn1 Te1 K1 143.759(3) 25_435 1_445 ?
Mn1 Te1 K1 83.076(8) . 1_545 ?
Mn1 Te1 K1 143.759(3) 25_435 1_455 ?
Mn1 Te1 K1 83.076(8) 1_565 . ?
Mn1 Te1 K1 143.759(5) 1_565 1_445 ?
Mn1 Te1 K1 143.759(5) 1_565 1_545 ?
Mn1 Te1 K1 83.076(8) . 1_445 ?
Mn1 Te1 K1 143.759(4) 25_335 1_545 ?
Mn1 Te1 K1 83.076(11) 25_335 1_455 ?
Mn1 Te1 K1 83.076(11) 25_435 . ?
Mn1 Te1 K1 83.076(8) 1_565 1_455 ?
Mn1 Te1 K1 143.759(5) . 1_455 ?
Mn1 Te1 K1 83.076(11) 25_335 1_445 ?
Mn1 Te1 Mn1 68.310(8) 25_435 1_565 ?
Mn1 Te1 Mn1 105.120(16) 1_565 . ?
Mn1 Te1 Mn1 68.310(9) 25_435 . ?
Mn1 Te1 Mn1 68.310(9) 1_565 25_335 ?
Mn1 Te1 Mn1 105.120(18) 25_435 25_335 ?
Mn1 Te1 Mn1 68.310(9) . 25_335 ?
Mn1 Te1 Cu1 105.120(18) 25_435 25_335 ?
Mn1 Te1 Cu1 68.310(9) 1_565 25_335 ?
Cu1 Te1 K1 83.076(11) 25_335 1_445 ?
Cu1 Te1 K1 143.759(4) 25_335 1_545 ?
Cu1 Te1 K1 83.076(10) 25_435 1_545 ?
Cu1 Te1 K1 83.076(11) 25_435 . ?
Cu1 Te1 K1 83.076(8) 1_565 1_455 ?
Cu1 Te1 K1 83.076(8) 1_565 . ?
Cu1 Te1 K1 143.759(5) 1_565 1_545 ?
Cu1 Te1 K1 143.759(3) 25_435 1_445 ?
Cu1 Te1 K1 143.759(3) 25_435 1_455 ?
Cu1 Te1 K1 143.759(3) 25_335 . ?
Cu1 Te1 K1 143.759(5) 1_565 1_445 ?
Cu1 Te1 K1 83.076(11) 25_335 1_455 ?
Cu1 Te1 Mn1 0.0 1_565 1_565 ?
Cu1 Te1 Mn1 68.3 25_435 1_565 ?
Cu1 Te1 Mn1 68.3 1_565 25_435 ?
Cu1 Te1 Mn1 68.3 25_335 . ?
Cu1 Te1 Mn1 0.0 25_435 25_435 ?
Cu1 Te1 Mn1 105.1 25_435 25_335 ?
Cu1 Te1 Mn1 0.0 25_335 25_335 ?
Cu1 Te1 Mn1 105.1 1_565 . ?
Cu1 Te1 Mn1 68.3 1_565 25_335 ?
Cu1 Te1 Mn1 68.3 25_435 . ?
Cu1 Te1 Cu1 68.310(9) 1_565 25_335 ?
Cu1 Te1 Cu1 68.310(8) 25_435 1_565 ?
Cu1 Te1 Cu1 105.120(18) 25_435 25_335 ?
Te1 Mn1 Te1 105.119(18) 25_435 25_335 ?
Te1 Mn1 Te1 111.690(9) 1_545 25_335 ?
Te1 Mn1 Te1 111.690(9) . 25_335 ?
Te1 Mn1 Te1 111.690(9) . 25_435 ?
Te1 Mn1 Te1 105.119(16) . 1_545 ?
Te1 Mn1 Te1 111.690(8) 25_435 1_545 ?
Te1 Mn1 Mn1 124.155(5) . 25_325 ?
Te1 Mn1 Mn1 55.845(7) 25_435 25_425 ?
Te1 Mn1 Mn1 124.155(7) 25_435 25_335 ?
Te1 Mn1 Mn1 124.155(7) 25_435 25_325 ?
Te1 Mn1 Mn1 124.155(7) 25_335 25_425 ?
Te1 Mn1 Mn1 55.845(6) 1_545 25_325 ?
Te1 Mn1 Mn1 55.845(7) 25_335 25_335 ?
Te1 Mn1 Mn1 55.845(7) 25_335 25_325 ?
Te1 Mn1 Mn1 55.845(5) 1_545 25_425 ?
Te1 Mn1 Mn1 55.845(5) . 25_435 ?
Te1 Mn1 Mn1 55.845(5) . 25_335 ?
Te1 Mn1 Mn1 55.845(7) 25_435 25_435 ?
Te1 Mn1 Mn1 124.155(5) 1_545 25_335 ?
Te1 Mn1 Mn1 124.155(6) 1_545 25_435 ?
Te1 Mn1 Mn1 124.155(7) 25_335 25_435 ?
Te1 Mn1 Mn1 124.155(5) . 25_425 ?
Te1 Mn1 Cu1 55.845(7) 25_335 25_335 ?
Te1 Mn1 Cu1 55.845(7) 25_435 25_425 ?
Te1 Mn1 Cu1 124.155(7) 25_435 25_335 ?
Te1 Mn1 Cu1 55.845(6) 1_545 25_325 ?
Te1 Mn1 Cu1 124.155(7) 25_335 25_425 ?
Te1 Mn1 Cu1 55.845(7) 25_335 25_325 ?
Te1 Mn1 Cu1 55.845(5) . 25_435 ?
Te1 Mn1 Cu1 124.155(6) 1_545 25_435 ?
Te1 Mn1 Cu1 55.845(5) 1_545 25_425 ?
Te1 Mn1 Cu1 124.155(7) 25_335 25_435 ?
Te1 Mn1 Cu1 55.845(5) . 25_335 ?
Te1 Mn1 Cu1 55.845(7) 25_435 25_435 ?
Te1 Mn1 Cu1 124.155(5) 1_545 25_335 ?
Te1 Mn1 Cu1 124.155(5) . 25_325 ?
Te1 Mn1 Cu1 124.155(5) . 25_425 ?
Te1 Mn1 Cu1 124.155(7) 25_435 25_325 ?
Mn1 Mn1 Mn1 90.000(10) 25_325 25_335 ?
Mn1 Mn1 Mn1 90.000(10) 25_435 25_425 ?
Mn1 Mn1 Mn1 90.000(10) 25_325 25_425 ?
Mn1 Mn1 Mn1 90.000(10) 25_435 25_335 ?
Mn1 Mn1 Mn1 180.0 25_425 25_335 ?
Mn1 Mn1 Mn1 180.0 25_325 25_435 ?
Mn1 Mn1 Cu1 0.0 25_325 25_325 ?
Mn1 Mn1 Cu1 0.0 25_425 25_425 ?
Mn1 Mn1 Cu1 90.000(10) 25_435 25_335 ?
Mn1 Mn1 Cu1 90.000(10) 25_325 25_425 ?
Mn1 Mn1 Cu1 90.000(10) 25_325 25_335 ?
Mn1 Mn1 Cu1 0.0 25_335 25_335 ?
Mn1 Mn1 Cu1 180.0 25_425 25_335 ?
Mn1 Mn1 Cu1 90.000(10) 25_435 25_425 ?
Mn1 Mn1 Cu1 180.0 25_335 25_425 ?
Cu1 Mn1 Mn1 90.0 25_435 25_425 ?
Cu1 Mn1 Mn1 90.0 25_435 25_335 ?
Cu1 Mn1 Mn1 90.0 25_325 25_335 ?
Cu1 Mn1 Mn1 180.0 25_325 25_435 ?
Cu1 Mn1 Mn1 180.0 25_435 25_325 ?
Cu1 Mn1 Mn1 90.0 25_325 25_425 ?
Cu1 Mn1 Mn1 0.0 25_435 25_435 ?
Cu1 Mn1 Cu1 90.000(10) 25_435 25_425 ?
Cu1 Mn1 Cu1 90.000(10) 25_435 25_335 ?
Cu1 Mn1 Cu1 180.0 25_435 25_325 ?
Cu1 Mn1 Cu1 90.000(10) 25_325 25_335 ?
Cu1 Mn1 Cu1 180.0 25_425 25_335 ?
Cu1 Mn1 Cu1 90.000(10) 25_325 25_425 ?

_olex2_submission_special_instructions 'No special instructions were received'
