# Electronic Supplementary Material (ESI) for Dalton Transactions.
# This journal is © The Royal Society of Chemistry 2023

####################################################################### 
# 
# 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_vbchem097_0m_a
_database_code_depnum_ccdc_archive 'CCDC 1534372'
loop_
_audit_author_name
_audit_author_address
'KOUSHIK PRAMANIK'
;Visva Bharati University
India
;
_audit_update_record             
;
2022-08-31 deposited with the CCDC.	2023-03-22 downloaded from the CCDC.
;
_audit_creation_date             2022-08-30
_audit_creation_method           
;
Olex2 1.2
(compiled 2018.05.29 svn.r3508 for OlexSys, GUI svn.r5506)
;
_shelx_SHELXL_version_number     2016/6
_chemical_name_common            ?
_chemical_name_systematic        ?
_chemical_formula_moiety         'C23 H27 Cu Mn0.5 N2 O4'
_chemical_formula_sum            'C23 H27 Cu Mn0.50 N2 O4'
_chemical_formula_weight         486.47
_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'
Cu Cu 0.3201 1.2651 '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'
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      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                   9.3404(10)
_cell_length_b                   10.8427(11)
_cell_length_c                   10.9733(12)
_cell_angle_alpha                99.826(7)
_cell_angle_beta                 105.966(7)
_cell_angle_gamma                90.367(7)
_cell_volume                     1051.1(2)
_cell_formula_units_Z            2
_cell_measurement_reflns_used    2770
_cell_measurement_temperature    296(2)
_cell_measurement_theta_max      20.807
_cell_measurement_theta_min      2.481
_shelx_estimated_absorpt_T_max   ?
_shelx_estimated_absorpt_T_min   ?
_exptl_absorpt_coefficient_mu    1.359
_exptl_absorpt_correction_T_max  0.7457
_exptl_absorpt_correction_T_min  0.5806
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   
'SADABS-2014/4 (Bruker,2014/4) was used for absorption correction. wR2(int) was 0.1325 before and 0.0854 after correction. The Ratio of minimum to maximum transmission is 0.7786. The λ/2 correction factor is 0.00150.'
_exptl_absorpt_special_details   ?
_exptl_crystal_colour            green
_exptl_crystal_colour_primary    green
_exptl_crystal_density_diffrn    1.537
_exptl_crystal_density_meas      'not measured'
_exptl_crystal_density_method    ?
_exptl_crystal_description       prismatic
_exptl_crystal_F_000             505
_exptl_crystal_size_max          0.36
_exptl_crystal_size_mid          0.28
_exptl_crystal_size_min          0.18
_exptl_transmission_factor_max   ?
_exptl_transmission_factor_min   ?
_diffrn_reflns_av_R_equivalents  0.1479
_diffrn_reflns_av_unetI/netI     0.1106
_diffrn_reflns_Laue_measured_fraction_full 0.979
_diffrn_reflns_Laue_measured_fraction_max 0.975
_diffrn_reflns_limit_h_max       12
_diffrn_reflns_limit_h_min       -12
_diffrn_reflns_limit_k_max       14
_diffrn_reflns_limit_k_min       -14
_diffrn_reflns_limit_l_max       14
_diffrn_reflns_limit_l_min       -14
_diffrn_reflns_number            33367
_diffrn_reflns_point_group_measured_fraction_full 0.979
_diffrn_reflns_point_group_measured_fraction_max 0.975
_diffrn_reflns_theta_full        25.242
_diffrn_reflns_theta_max         28.318
_diffrn_reflns_theta_min         2.974
_diffrn_ambient_temperature      296.15
_diffrn_detector_area_resol_mean ?
_diffrn_measured_fraction_theta_full 0.979
_diffrn_measured_fraction_theta_max 0.975
_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                   ?
_diffrn_standards_number         0
_reflns_Friedel_coverage         0.000
_reflns_Friedel_fraction_full    .
_reflns_Friedel_fraction_max     .
_reflns_number_gt                2985
_reflns_number_total             5113
_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 v8.34A (Bruker, 2013)'
_computing_data_collection       ?
_computing_data_reduction        'SAINT v8.34A (Bruker, 2013)'
_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    'SHELXT 2014/4 (Sheldrick, 2014)'
_refine_diff_density_max         1.064
_refine_diff_density_min         -0.714
_refine_diff_density_rms         0.111
_refine_ls_extinction_coef       .
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.040
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     287
_refine_ls_number_reflns         5113
_refine_ls_number_restraints     1
_refine_ls_R_factor_all          0.1377
_refine_ls_R_factor_gt           0.0672
_refine_ls_restrained_S_all      1.040
_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)+(0.0694P)²+1.6528P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1418
_refine_ls_wR_factor_ref         0.1775
_refine_special_details          ?
_olex2_refinement_description    
;
1. Fixed Uiso
 At 1.2 times of:
  All C(H) groups, All C(H,H) groups
 At 1.5 times of:
  All C(H,H,H) groups
2. Restrained distances
 C24A-C20 \\sim C24B-C20
 with sigma of 0.02
3. Uiso/Uaniso restraints and constraints
Uanis(C23A) = Uanis(C23B)
Uanis(C22A) = Uanis(C22B)
Uanis(C24A) = Uanis(C24B) = Uanis(C23B)
4. Others
 Sof(C23B)=Sof(H23D)=Sof(H23E)=Sof(H23F)=Sof(C22B)=Sof(H22D)=Sof(H22E)=
 Sof(H22F)=Sof(C24B)=Sof(H24D)=Sof(H24E)=Sof(H24F)=1-FVAR(1)
 Sof(C23A)=Sof(H23A)=Sof(H23B)=Sof(H23C)=Sof(C22A)=Sof(H22A)=Sof(H22B)=
 Sof(H22C)=Sof(C24A)=Sof(H24A)=Sof(H24B)=Sof(H24C)=FVAR(1)
5.a Secondary CH2 refined with riding coordinates:
 C11(H11A,H11B), C8(H8A,H8B), C10(H10A,H10B), C9(H9A,H9B)
5.b Aromatic/amide H refined with riding coordinates:
 C12(H12), C5(H5), C2(H2), C7(H7), C3(H3), C14(H14), C4(H4), C17(H17),
 C15(H15), C16(H16)
5.c Idealised Me refined as rotating group:
 C23A(H23A,H23B,H23C), C23B(H23D,H23E,H23F), C22A(H22A,H22B,H22C), C22B(H22D,
 H22E,H22F), C24A(H24A,H24B,H24C), C24B(H24D,H24E,H24F)
;
_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
Cu1 Cu 0.68069(7) 0.30266(6) 0.37161(6) 0.0303(2) Uani 1 1 d . . . . .
Mn1 Mn 0.500000 0.500000 0.500000 0.0261(3) Uani 1 2 d S T P . .
O2 O 0.5740(4) 0.3097(3) 0.5095(3) 0.0299(8) Uani 1 1 d . . . . .
O3 O 0.3542(4) 0.4305(4) 0.3040(3) 0.0391(9) Uani 1 1 d . . . . .
O1 O 0.6968(4) 0.4824(3) 0.4216(3) 0.0320(8) Uani 1 1 d . . . . .
O4 O 0.5021(5) 0.3124(4) 0.2136(4) 0.0537(11) Uani 1 1 d . . . . .
N1 N 0.6478(5) 0.1192(4) 0.3360(4) 0.0321(10) Uani 1 1 d . . . . .
N2 N 0.8763(5) 0.2956(4) 0.3338(4) 0.0324(10) Uani 1 1 d . . . . .
C11 C 0.6210(7) 0.0487(5) 0.2064(5) 0.0419(13) Uani 1 1 d . . . . .
H11A H 0.514995 0.045138 0.163284 0.050 Uiso 1 1 calc R . . . .
H11B H 0.649732 -0.036539 0.211246 0.050 Uiso 1 1 calc R . . . .
C12 C 0.6420(5) 0.0580(5) 0.4244(5) 0.0337(12) Uani 1 1 d . . . . .
H12 H 0.627374 -0.028648 0.401020 0.040 Uiso 1 1 calc R . . . .
C8 C 0.9405(6) 0.1751(6) 0.3089(6) 0.0442(14) Uani 1 1 d . . . . .
H8A H 0.926122 0.124101 0.369638 0.053 Uiso 1 1 calc R . . . .
H8B H 1.046976 0.188391 0.322602 0.053 Uiso 1 1 calc R . . . .
C5 C 1.0082(6) 0.6089(5) 0.3340(5) 0.0390(13) Uani 1 1 d . . . . .
H5 H 1.093405 0.582861 0.311141 0.047 Uiso 1 1 calc R . . . .
C18 C 0.6195(5) 0.2348(5) 0.5935(5) 0.0290(11) Uani 1 1 d . . . . .
C1 C 0.7872(5) 0.5599(5) 0.3957(5) 0.0297(11) Uani 1 1 d . . . . .
C10 C 0.7041(7) 0.1032(6) 0.1272(5) 0.0440(14) Uani 1 1 d . . . . .
H10A H 0.674901 0.188414 0.123327 0.053 Uiso 1 1 calc R . . . .
H10B H 0.672327 0.055740 0.040105 0.053 Uiso 1 1 calc R . . . .
C6 C 0.9137(6) 0.5204(5) 0.3554(5) 0.0307(11) Uani 1 1 d . . . . .
C13 C 0.6558(5) 0.1105(5) 0.5554(5) 0.0310(11) Uani 1 1 d . . . . .
C20 C 0.2747(6) 0.3510(5) 0.0757(5) 0.0397(13) Uani 1 1 d D . . . .
C9 C 0.8712(7) 0.1056(6) 0.1734(6) 0.0526(16) Uani 1 1 d . . . . .
H9A H 0.911489 0.143629 0.115180 0.063 Uiso 1 1 calc R . . . .
H9B H 0.901207 0.019821 0.168246 0.063 Uiso 1 1 calc R . . . .
C2 C 0.7633(6) 0.6871(5) 0.4091(6) 0.0375(12) Uani 1 1 d . . . . .
H2 H 0.680968 0.715981 0.435142 0.045 Uiso 1 1 calc R . . . .
C7 C 0.9537(6) 0.3938(5) 0.3372(5) 0.0347(12) Uani 1 1 d . . . . .
H7 H 1.048172 0.381127 0.326498 0.042 Uiso 1 1 calc R . . . .
C3 C 0.8581(6) 0.7720(6) 0.3851(6) 0.0454(14) Uani 1 1 d . . . . .
H3 H 0.839426 0.856755 0.395793 0.054 Uiso 1 1 calc R . . . .
C19 C 0.3854(6) 0.3670(5) 0.2095(5) 0.0360(12) Uani 1 1 d . . . . .
C14 C 0.7035(7) 0.0357(6) 0.6479(6) 0.0440(14) Uani 1 1 d . . . . .
H14 H 0.723882 -0.046966 0.622327 0.053 Uiso 1 1 calc R . . . .
C4 C 0.9791(6) 0.7323(6) 0.3456(6) 0.0446(14) Uani 1 1 d . . . . .
H4 H 1.041205 0.789216 0.326821 0.054 Uiso 1 1 calc R . . . .
C17 C 0.6296(7) 0.2761(6) 0.7223(5) 0.0423(13) Uani 1 1 d . . . . .
H17 H 0.601337 0.356051 0.748684 0.051 Uiso 1 1 calc R . . . .
C15 C 0.7210(7) 0.0798(6) 0.7745(6) 0.0535(16) Uani 1 1 d . . . . .
H15 H 0.759425 0.030171 0.835843 0.064 Uiso 1 1 calc R . . . .
C16 C 0.6807(8) 0.2004(7) 0.8111(6) 0.0547(17) Uani 1 1 d . . . . .
H16 H 0.688467 0.230406 0.897421 0.066 Uiso 1 1 calc R . . . .
C23A C 0.348(3) 0.288(3) -0.0290(18) 0.093(3) Uani 0.430(7) 1 d . . . A 1
H23A H 0.450302 0.319129 -0.007058 0.139 Uiso 0.430(7) 1 calc GR . . A 1
H23B H 0.295183 0.306910 -0.111193 0.139 Uiso 0.430(7) 1 calc GR . . A 1
H23C H 0.344888 0.198696 -0.033114 0.139 Uiso 0.430(7) 1 calc GR . . A 1
C23B C 0.3477(19) 0.4036(19) -0.0089(13) 0.093(3) Uani 0.570(7) 1 d . . . A 2
H23D H 0.386190 0.487598 0.030401 0.139 Uiso 0.570(7) 1 calc GR . . A 2
H23E H 0.276383 0.404430 -0.090559 0.139 Uiso 0.570(7) 1 calc GR . . A 2
H23F H 0.428089 0.352890 -0.021577 0.139 Uiso 0.570(7) 1 calc GR . . A 2
C22A C 0.232(2) 0.475(2) 0.0365(17) 0.079(4) Uani 0.430(7) 1 d . . . A 1
H22A H 0.207926 0.529148 0.105927 0.118 Uiso 0.430(7) 1 calc GR . . A 1
H22B H 0.147351 0.462078 -0.038110 0.118 Uiso 0.430(7) 1 calc GR . . A 1
H22C H 0.314414 0.512655 0.016723 0.118 Uiso 0.430(7) 1 calc GR . . A 1
C22B C 0.1333(16) 0.4181(17) 0.0750(13) 0.079(4) Uani 0.570(7) 1 d . . . A 2
H22D H 0.074224 0.374534 0.115042 0.118 Uiso 0.570(7) 1 calc GR . . A 2
H22E H 0.077596 0.420096 -0.012309 0.118 Uiso 0.570(7) 1 calc GR . . A 2
H22F H 0.158182 0.502236 0.121697 0.118 Uiso 0.570(7) 1 calc GR . . A 2
C24A C 0.146(2) 0.271(2) 0.0743(18) 0.093(3) Uani 0.430(7) 1 d D . . A 1
H24A H 0.177928 0.189670 0.088106 0.139 Uiso 0.430(7) 1 calc GR . . A 1
H24B H 0.072476 0.264176 -0.007659 0.139 Uiso 0.430(7) 1 calc GR . . A 1
H24C H 0.103605 0.308359 0.141369 0.139 Uiso 0.430(7) 1 calc GR . . A 1
C24B C 0.237(2) 0.2163(15) 0.0252(14) 0.093(3) Uani 0.570(7) 1 d D . . A 2
H24D H 0.317588 0.178787 -0.002963 0.139 Uiso 0.570(7) 1 calc GR . . A 2
H24E H 0.148188 0.206135 -0.046179 0.139 Uiso 0.570(7) 1 calc GR . . A 2
H24F H 0.219421 0.176178 0.091818 0.139 Uiso 0.570(7) 1 calc GR . . A 2


_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
Cu1 Mn1 3.1204(6) . ?
Cu1 O2 2.019(3) . ?
Cu1 O1 1.926(3) . ?
Cu1 O4 2.067(4) . ?
Cu1 N1 1.966(4) . ?
Cu1 N2 1.981(4) . ?
Mn1 O2 2.191(3) . ?
Mn1 O2 2.191(3) 2_666 ?
Mn1 O3 2.207(4) 2_666 ?
Mn1 O3 2.207(4) . ?
Mn1 O1 2.231(3) . ?
Mn1 O1 2.231(3) 2_666 ?
O2 C18 1.317(6) . ?
O3 C19 1.248(6) . ?
O1 C1 1.305(6) . ?
O4 C19 1.238(7) . ?
N1 C11 1.450(7) . ?
N1 C12 1.277(7) . ?
N2 C8 1.456(7) . ?
N2 C7 1.272(7) . ?
C11 H11A 0.9700 . ?
C11 H11B 0.9700 . ?
C11 C10 1.498(8) . ?
C12 H12 0.9300 . ?
C12 C13 1.423(7) . ?
C8 H8A 0.9700 . ?
C8 H8B 0.9700 . ?
C8 C9 1.510(8) . ?
C5 H5 0.9300 . ?
C5 C6 1.390(7) . ?
C5 C4 1.359(8) . ?
C18 C13 1.413(7) . ?
C18 C17 1.384(7) . ?
C1 C6 1.415(7) . ?
C1 C2 1.388(7) . ?
C10 H10A 0.9700 . ?
C10 H10B 0.9700 . ?
C10 C9 1.501(9) . ?
C6 C7 1.421(7) . ?
C13 C14 1.387(8) . ?
C20 C19 1.526(8) . ?
C20 C23A 1.56(2) . ?
C20 C23B 1.475(16) . ?
C20 C22A 1.50(2) . ?
C20 C22B 1.511(14) . ?
C20 C24A 1.470(16) . ?
C20 C24B 1.475(15) . ?
C9 H9A 0.9700 . ?
C9 H9B 0.9700 . ?
C2 H2 0.9300 . ?
C2 C3 1.378(8) . ?
C7 H7 0.9300 . ?
C3 H3 0.9300 . ?
C3 C4 1.365(8) . ?
C14 H14 0.9300 . ?
C14 C15 1.353(9) . ?
C4 H4 0.9300 . ?
C17 H17 0.9300 . ?
C17 C16 1.368(8) . ?
C15 H15 0.9300 . ?
C15 C16 1.387(9) . ?
C16 H16 0.9300 . ?
C23A H23A 0.9600 . ?
C23A H23B 0.9600 . ?
C23A H23C 0.9600 . ?
C23B H23D 0.9600 . ?
C23B H23E 0.9600 . ?
C23B H23F 0.9600 . ?
C22A H22A 0.9600 . ?
C22A H22B 0.9600 . ?
C22A H22C 0.9600 . ?
C22B H22D 0.9600 . ?
C22B H22E 0.9600 . ?
C22B H22F 0.9600 . ?
C24A H24A 0.9600 . ?
C24A H24B 0.9600 . ?
C24A H24C 0.9600 . ?
C24B H24D 0.9600 . ?
C24B H24E 0.9600 . ?
C24B H24F 0.9600 . ?

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
O2 Cu1 Mn1 44.32(9) . . ?
O2 Cu1 O4 100.18(16) . . ?
O1 Cu1 Mn1 45.19(9) . . ?
O1 Cu1 O2 83.84(13) . . ?
O1 Cu1 O4 91.24(17) . . ?
O1 Cu1 N1 172.48(15) . . ?
O1 Cu1 N2 93.56(15) . . ?
O4 Cu1 Mn1 80.45(11) . . ?
N1 Cu1 Mn1 127.64(12) . . ?
N1 Cu1 O2 88.69(15) . . ?
N1 Cu1 O4 89.28(18) . . ?
N1 Cu1 N2 93.07(17) . . ?
N2 Cu1 Mn1 137.93(12) . . ?
N2 Cu1 O2 145.70(16) . . ?
N2 Cu1 O4 114.09(18) . . ?
Cu1 Mn1 Cu1 180.0 2_666 . ?
O2 Mn1 Cu1 40.10(8) 2_666 2_666 ?
O2 Mn1 Cu1 40.10(8) . . ?
O2 Mn1 Cu1 139.90(8) . 2_666 ?
O2 Mn1 Cu1 139.90(8) 2_666 . ?
O2 Mn1 O2 180.0 2_666 . ?
O2 Mn1 O3 89.06(13) 2_666 2_666 ?
O2 Mn1 O3 90.94(13) . 2_666 ?
O2 Mn1 O3 89.06(13) . . ?
O2 Mn1 O3 90.94(13) 2_666 . ?
O2 Mn1 O1 106.79(12) 2_666 . ?
O2 Mn1 O1 73.21(12) 2_666 2_666 ?
O2 Mn1 O1 73.21(12) . . ?
O2 Mn1 O1 106.79(12) . 2_666 ?
O3 Mn1 Cu1 105.48(10) 2_666 . ?
O3 Mn1 Cu1 74.52(10) . . ?
O3 Mn1 Cu1 105.48(10) . 2_666 ?
O3 Mn1 Cu1 74.52(10) 2_666 2_666 ?
O3 Mn1 O3 180.0 . 2_666 ?
O3 Mn1 O1 89.04(13) . . ?
O3 Mn1 O1 89.03(13) 2_666 2_666 ?
O3 Mn1 O1 90.97(13) 2_666 . ?
O3 Mn1 O1 90.96(13) . 2_666 ?
O1 Mn1 Cu1 37.77(8) 2_666 2_666 ?
O1 Mn1 Cu1 142.23(8) . 2_666 ?
O1 Mn1 Cu1 37.77(8) . . ?
O1 Mn1 Cu1 142.23(8) 2_666 . ?
O1 Mn1 O1 180.0 . 2_666 ?
Cu1 O2 Mn1 95.58(13) . . ?
C18 O2 Cu1 116.3(3) . . ?
C18 O2 Mn1 140.5(3) . . ?
C19 O3 Mn1 129.3(4) . . ?
Cu1 O1 Mn1 97.04(13) . . ?
C1 O1 Cu1 126.6(3) . . ?
C1 O1 Mn1 135.8(3) . . ?
C19 O4 Cu1 128.7(4) . . ?
C11 N1 Cu1 121.0(3) . . ?
C12 N1 Cu1 121.6(4) . . ?
C12 N1 C11 117.3(4) . . ?
C8 N2 Cu1 119.8(4) . . ?
C7 N2 Cu1 122.4(4) . . ?
C7 N2 C8 117.7(4) . . ?
N1 C11 H11A 108.9 . . ?
N1 C11 H11B 108.9 . . ?
N1 C11 C10 113.6(4) . . ?
H11A C11 H11B 107.7 . . ?
C10 C11 H11A 108.9 . . ?
C10 C11 H11B 108.9 . . ?
N1 C12 H12 117.0 . . ?
N1 C12 C13 125.9(5) . . ?
C13 C12 H12 117.0 . . ?
N2 C8 H8A 109.2 . . ?
N2 C8 H8B 109.2 . . ?
N2 C8 C9 112.1(5) . . ?
H8A C8 H8B 107.9 . . ?
C9 C8 H8A 109.2 . . ?
C9 C8 H8B 109.2 . . ?
C6 C5 H5 119.2 . . ?
C4 C5 H5 119.2 . . ?
C4 C5 C6 121.7(5) . . ?
O2 C18 C13 121.6(4) . . ?
O2 C18 C17 120.1(5) . . ?
C17 C18 C13 118.2(5) . . ?
O1 C1 C6 122.7(5) . . ?
O1 C1 C2 120.4(4) . . ?
C2 C1 C6 116.9(4) . . ?
C11 C10 H10A 108.2 . . ?
C11 C10 H10B 108.2 . . ?
C11 C10 C9 116.3(6) . . ?
H10A C10 H10B 107.4 . . ?
C9 C10 H10A 108.2 . . ?
C9 C10 H10B 108.2 . . ?
C5 C6 C1 119.5(5) . . ?
C5 C6 C7 116.6(5) . . ?
C1 C6 C7 123.8(5) . . ?
C18 C13 C12 122.2(5) . . ?
C14 C13 C12 118.6(5) . . ?
C14 C13 C18 119.2(5) . . ?
C19 C20 C23A 110.5(9) . . ?
C23B C20 C19 107.9(7) . . ?
C23B C20 C22B 108.2(11) . . ?
C23B C20 C24B 109.2(11) . . ?
C22A C20 C19 112.0(8) . . ?
C22A C20 C23A 103.2(13) . . ?
C22B C20 C19 113.0(6) . . ?
C24A C20 C19 108.2(9) . . ?
C24A C20 C23A 109.5(13) . . ?
C24A C20 C22A 113.2(14) . . ?
C24B C20 C19 109.2(7) . . ?
C24B C20 C22B 109.3(11) . . ?
C8 C9 H9A 108.4 . . ?
C8 C9 H9B 108.4 . . ?
C10 C9 C8 115.5(5) . . ?
C10 C9 H9A 108.4 . . ?
C10 C9 H9B 108.4 . . ?
H9A C9 H9B 107.5 . . ?
C1 C2 H2 119.0 . . ?
C3 C2 C1 122.0(5) . . ?
C3 C2 H2 119.0 . . ?
N2 C7 C6 128.1(5) . . ?
N2 C7 H7 116.0 . . ?
C6 C7 H7 116.0 . . ?
C2 C3 H3 119.8 . . ?
C4 C3 C2 120.3(6) . . ?
C4 C3 H3 119.8 . . ?
O3 C19 C20 120.1(5) . . ?
O4 C19 O3 125.3(5) . . ?
O4 C19 C20 114.6(5) . . ?
C13 C14 H14 119.1 . . ?
C15 C14 C13 121.8(6) . . ?
C15 C14 H14 119.1 . . ?
C5 C4 C3 119.5(5) . . ?
C5 C4 H4 120.3 . . ?
C3 C4 H4 120.3 . . ?
C18 C17 H17 119.7 . . ?
C16 C17 C18 120.7(6) . . ?
C16 C17 H17 119.7 . . ?
C14 C15 H15 120.6 . . ?
C14 C15 C16 118.8(6) . . ?
C16 C15 H15 120.6 . . ?
C17 C16 C15 121.1(6) . . ?
C17 C16 H16 119.5 . . ?
C15 C16 H16 119.5 . . ?
C20 C23A H23A 109.5 . . ?
C20 C23A H23B 109.5 . . ?
C20 C23A H23C 109.5 . . ?
H23A C23A H23B 109.5 . . ?
H23A C23A H23C 109.5 . . ?
H23B C23A H23C 109.5 . . ?
C20 C23B H23D 109.5 . . ?
C20 C23B H23E 109.5 . . ?
C20 C23B H23F 109.5 . . ?
H23D C23B H23E 109.5 . . ?
H23D C23B H23F 109.5 . . ?
H23E C23B H23F 109.5 . . ?
C20 C22A H22A 109.5 . . ?
C20 C22A H22B 109.5 . . ?
C20 C22A H22C 109.5 . . ?
H22A C22A H22B 109.5 . . ?
H22A C22A H22C 109.5 . . ?
H22B C22A H22C 109.5 . . ?
C20 C22B H22D 109.5 . . ?
C20 C22B H22E 109.5 . . ?
C20 C22B H22F 109.5 . . ?
H22D C22B H22E 109.5 . . ?
H22D C22B H22F 109.5 . . ?
H22E C22B H22F 109.5 . . ?
C20 C24A H24A 109.5 . . ?
C20 C24A H24B 109.5 . . ?
C20 C24A H24C 109.5 . . ?
H24A C24A H24B 109.5 . . ?
H24A C24A H24C 109.5 . . ?
H24B C24A H24C 109.5 . . ?
C20 C24B H24D 109.5 . . ?
C20 C24B H24E 109.5 . . ?
C20 C24B H24F 109.5 . . ?
H24D C24B H24E 109.5 . . ?
H24D C24B H24F 109.5 . . ?
H24E C24B H24F 109.5 . . ?

_olex2_submission_special_instructions 'No special instructions were received'
