# Electronic Supplementary Material (ESI) for Journal of Materials Chemistry A.
# 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).
# 
# 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_2
_database_code_depnum_ccdc_archive 'CCDC 2130753'
loop_
_audit_author_name
_audit_author_address
'Tianyi Dang'
;NENU
China
;
_audit_update_record             
;
2021-12-24 deposited with the CCDC.	2022-07-08 downloaded from the CCDC.
;
_audit_creation_date             2021-08-19
_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         '0.5(C56 H56 Cu6 N16 O24 V8)'
_chemical_formula_sum            'C28 H28 Cu3 N8 O12 V4'
_chemical_formula_weight         1062.96
_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'
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'
V V 0.3005 0.5294 '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           14
_space_group_name_H-M_alt        'P 1 21/c 1'
_space_group_name_Hall           '-P 2ybc'
loop_
_space_group_symop_operation_xyz
'x, y, z'
'-x, y+1/2, -z+1/2'
'-x, -y, -z'
'x, -y-1/2, z-1/2'

_cell_length_a                   16.059(3)
_cell_length_b                   14.643(2)
_cell_length_c                   7.9460(12)
_cell_angle_alpha                90
_cell_angle_beta                 108.842(3)
_cell_angle_gamma                90
_cell_volume                     1768.4(5)
_cell_formula_units_Z            2
_cell_measurement_reflns_used    3172
_cell_measurement_temperature    297.52
_cell_measurement_theta_max      24.639
_cell_measurement_theta_min      2.680
_shelx_estimated_absorpt_T_max   0.674
_shelx_estimated_absorpt_T_min   0.586
_exptl_absorpt_coefficient_mu    2.853
_exptl_absorpt_correction_T_max  0.654
_exptl_absorpt_correction_T_min  0.555
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   ?
_exptl_absorpt_special_details   ?
_exptl_crystal_colour            'dull bluish violet'
_exptl_crystal_colour_lustre     dull
_exptl_crystal_colour_modifier   bluish
_exptl_crystal_colour_primary    violet
_exptl_crystal_density_diffrn    1.996
_exptl_crystal_density_meas      .
_exptl_crystal_density_method    ?
_exptl_crystal_description       prism
_exptl_crystal_F_000             1054
_exptl_crystal_recrystallization_method ?
_exptl_crystal_size_max          0.21
_exptl_crystal_size_mid          0.2
_exptl_crystal_size_min          0.15
_exptl_special_details           
;
 ?
;
_exptl_transmission_factor_max   ?
_exptl_transmission_factor_min   ?
_diffrn_reflns_av_R_equivalents  0.2036
_diffrn_reflns_av_unetI/netI     0.0894
_diffrn_reflns_Laue_measured_fraction_full 0.999
_diffrn_reflns_Laue_measured_fraction_max 0.998
_diffrn_reflns_limit_h_max       19
_diffrn_reflns_limit_h_min       -19
_diffrn_reflns_limit_k_max       17
_diffrn_reflns_limit_k_min       -17
_diffrn_reflns_limit_l_max       9
_diffrn_reflns_limit_l_min       -9
_diffrn_reflns_number            28158
_diffrn_reflns_point_group_measured_fraction_full 0.999
_diffrn_reflns_point_group_measured_fraction_max 0.998
_diffrn_reflns_theta_full        25.242
_diffrn_reflns_theta_max         25.384
_diffrn_reflns_theta_min         2.782
_diffrn_ambient_temperature      297.52
_diffrn_detector_area_resol_mean ?
_diffrn_measured_fraction_theta_full 0.999
_diffrn_measured_fraction_theta_max 0.998
_diffrn_measurement_device_type  'Bruker P4'
_diffrn_measurement_method       'ω scans'
_diffrn_radiation_monochromator  graphite
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_source                   ?
_diffrn_special_details          ?
_reflns_Friedel_coverage         0.000
_reflns_Friedel_fraction_full    .
_reflns_Friedel_fraction_max     .
_reflns_number_gt                1867
_reflns_number_total             3241
_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  'ShelXL (Sheldrick, 2015)'
_computing_structure_solution    'SHELXT 2014/5 (Sheldrick, 2014)'
_refine_diff_density_max         0.549
_refine_diff_density_min         -0.739
_refine_diff_density_rms         0.127
_refine_ls_extinction_coef       .
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.008
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     250
_refine_ls_number_reflns         3241
_refine_ls_number_restraints     0
_refine_ls_R_factor_all          0.1188
_refine_ls_R_factor_gt           0.0443
_refine_ls_restrained_S_all      1.008
_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)+(0.0433P)²+1.5410P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0842
_refine_ls_wR_factor_ref         0.1108
_refine_special_details          ?
_olex2_refinement_description    
;
1. Fixed Uiso
 At 1.2 times of:
  All C(H) groups, All C(H,H) groups
2.a Secondary CH2 refined with riding coordinates:
 C00M(H00A,H00B), C00P(H00C,H00D)
2.b Aromatic/amide H refined with riding coordinates:
 C00F(H00F), C00H(H00H), C00J(H00J), C00K(H00K), C00L(H00L), C00N(H00N),
 C00O(H00O), C00Q(H00Q), C00R(H00R), C00S(H00S)
;
_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
Cu01 Cu 0.0000 0.5000 -0.5000 0.0254(3) Uani 1 2 d S T P . .
Cu02 Cu 0.37695(5) 0.61121(6) 0.54398(10) 0.0402(3) Uani 1 1 d . . . . .
V003 V 0.27472(6) 0.67886(6) 0.13614(13) 0.0232(3) Uani 1 1 d . . . . .
V004 V 0.19277(7) 0.61896(7) -0.28730(13) 0.0265(3) Uani 1 1 d . . . . .
O005 O 0.2227(3) 0.6081(3) -0.0521(5) 0.0328(11) Uani 1 1 d . . . . .
O006 O 0.3618(3) 0.7273(3) 0.1166(6) 0.0440(12) Uani 1 1 d . . . . .
O007 O 0.1982(3) 0.7337(3) -0.3484(6) 0.0370(12) Uani 1 1 d . . . . .
O008 O 0.3006(3) 0.6133(3) 0.3146(5) 0.0428(12) Uani 1 1 d . . . . .
N009 N 0.9455(3) 0.8972(3) 1.4903(6) 0.0282(12) Uani 1 1 d . . . . .
O00A O 0.0896(3) 0.5814(3) -0.3739(5) 0.0532(15) Uani 1 1 d . . . . .
O00B O 0.2596(3) 0.5585(3) -0.3520(6) 0.0565(15) Uani 1 1 d . . . . .
N00C N 0.5641(3) 0.6055(3) 1.0214(6) 0.0288(12) Uani 1 1 d . . . . .
N00D N 0.4751(3) 0.5922(3) 0.7476(7) 0.0318(13) Uani 1 1 d . . . . .
N00E N 0.9901(3) 0.9354(3) 1.7727(6) 0.0275(12) Uani 1 1 d . . . . .
C00F C 0.9300(4) 0.9499(4) 1.6151(7) 0.0280(15) Uani 1 1 d . . . . .
H00F H 0.8836 0.9910 1.5942 0.034 Uiso 1 1 calc R . . . .
C00G C 0.8152(4) 0.8267(4) 1.2740(7) 0.0274(15) Uani 1 1 d . . . . .
C00H C 0.5971(4) 0.5367(4) 0.9454(9) 0.0355(17) Uani 1 1 d . . . . .
H00H H 0.6474 0.5024 0.9992 0.043 Uiso 1 1 calc R . . . .
C00I C 0.6770(4) 0.7049(4) 1.2249(8) 0.0312(16) Uani 1 1 d . . . . .
C00J C 1.0458(4) 0.8695(4) 1.7455(9) 0.0364(17) Uani 1 1 d . . . . .
H00J H 1.0944 0.8454 1.8327 0.044 Uiso 1 1 calc R . . . .
C00K C 0.4910(4) 0.6371(4) 0.8981(9) 0.0365(17) Uani 1 1 d . . . . .
H00K H 0.4564 0.6844 0.9167 0.044 Uiso 1 1 calc R . . . .
C00L C 0.5426(4) 0.5283(4) 0.7778(9) 0.0340(16) Uani 1 1 d . . . . .
H00L H 0.5490 0.4864 0.6949 0.041 Uiso 1 1 calc R . . . .
C00M C 0.8911(4) 0.8922(4) 1.3030(8) 0.0357(17) Uani 1 1 d . . . . .
H00A H 0.9273 0.8728 1.2326 0.043 Uiso 1 1 calc R . . . .
H00B H 0.8684 0.9525 1.2625 0.043 Uiso 1 1 calc R . . . .
C00N C 1.0183(4) 0.8455(4) 1.5719(9) 0.0378(17) Uani 1 1 d . . . . .
H00N H 1.0440 0.8022 1.5184 0.045 Uiso 1 1 calc R . . . .
C00O C 0.7302(4) 0.8568(5) 1.2162(9) 0.0427(18) Uani 1 1 d . . . . .
H00O H 0.7184 0.9185 1.1924 0.051 Uiso 1 1 calc R . . . .
C00P C 0.6019(4) 0.6391(5) 1.2048(8) 0.0419(18) Uani 1 1 d . . . . .
H00C H 0.6229 0.5876 1.2839 0.050 Uiso 1 1 calc R . . . .
H00D H 0.5563 0.6694 1.2397 0.050 Uiso 1 1 calc R . . . .
C00Q C 0.7623(5) 0.6741(4) 1.2811(9) 0.046(2) Uani 1 1 d . . . . .
H00Q H 0.7737 0.6123 1.3043 0.055 Uiso 1 1 calc R . . . .
C00R C 0.6612(5) 0.7955(4) 1.1928(9) 0.0427(18) Uani 1 1 d . . . . .
H00R H 0.6035 0.8168 1.1549 0.051 Uiso 1 1 calc R . . . .
C00S C 0.8314(5) 0.7344(4) 1.3035(10) 0.049(2) Uani 1 1 d . . . . .
H00S H 0.8889 0.7127 1.3385 0.059 Uiso 1 1 calc R . . . .


_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
Cu01 O00A 1.888(4) . ?
Cu01 O00A 1.888(4) 3_564 ?
Cu01 N00E 1.999(5) 2_646 ?
Cu01 N00E 1.999(5) 4_473 ?
Cu02 O008 1.839(4) . ?
Cu02 O00B 2.417(5) 1_556 ?
Cu02 N00D 1.880(5) . ?
V003 O005 1.790(4) . ?
V003 O006 1.619(4) . ?
V003 O007 1.806(4) 4_576 ?
V003 O008 1.651(4) . ?
V004 O005 1.780(4) . ?
V004 O007 1.759(4) . ?
V004 O00A 1.668(4) . ?
V004 O00B 1.598(5) . ?
O006 Cu02 2.465(5) 4_575 ?
O007 V003 1.806(4) 4_575 ?
N009 C00F 1.342(7) . ?
N009 C00M 1.464(7) . ?
N009 C00N 1.368(7) . ?
O00B Cu02 2.417(5) 1_554 ?
N00C C00H 1.366(8) . ?
N00C C00K 1.345(7) . ?
N00C C00P 1.471(7) . ?
N00D C00K 1.314(8) . ?
N00D C00L 1.393(7) . ?
N00E Cu01 1.999(5) 2_656 ?
N00E C00F 1.328(7) . ?
N00E C00J 1.378(8) . ?
C00F H00F 0.9300 . ?
C00G C00M 1.510(8) . ?
C00G C00O 1.366(8) . ?
C00G C00S 1.382(8) . ?
C00H H00H 0.9300 . ?
C00H C00L 1.342(8) . ?
C00I C00P 1.512(8) . ?
C00I C00Q 1.372(9) . ?
C00I C00R 1.360(8) . ?
C00J H00J 0.9300 . ?
C00J C00N 1.353(8) . ?
C00K H00K 0.9300 . ?
C00L H00L 0.9300 . ?
C00M H00A 0.9700 . ?
C00M H00B 0.9700 . ?
C00N H00N 0.9300 . ?
C00O H00O 0.9300 . ?
C00O C00R 1.391(9) . ?
C00P H00C 0.9700 . ?
C00P H00D 0.9700 . ?
C00Q H00Q 0.9300 . ?
C00Q C00S 1.384(9) . ?
C00R H00R 0.9300 . ?
C00S H00S 0.9300 . ?

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
O00A Cu01 O00A 180.0 . 3_564 ?
O00A Cu01 N00E 89.72(18) . 2_646 ?
O00A Cu01 N00E 90.28(18) 3_564 2_646 ?
O00A Cu01 N00E 90.28(18) . 4_473 ?
O00A Cu01 N00E 89.72(18) 3_564 4_473 ?
N00E Cu01 N00E 180.0 4_473 2_646 ?
O008 Cu02 O00B 90.00(19) . 1_556 ?
O008 Cu02 N00D 163.9(2) . . ?
N00D Cu02 O00B 100.9(2) . 1_556 ?
O005 V003 O007 108.84(19) . 4_576 ?
O006 V003 O005 111.0(2) . . ?
O006 V003 O007 108.9(2) . 4_576 ?
O006 V003 O008 110.6(2) . . ?
O008 V003 O005 107.5(2) . . ?
O008 V003 O007 110.0(2) . 4_576 ?
O007 V004 O005 110.77(19) . . ?
O00A V004 O005 107.4(2) . . ?
O00A V004 O007 109.4(2) . . ?
O00B V004 O005 107.8(2) . . ?
O00B V004 O007 110.0(2) . . ?
O00B V004 O00A 111.4(3) . . ?
V004 O005 V003 136.1(2) . . ?
V003 O006 Cu02 126.6(2) . 4_575 ?
V004 O007 V003 142.3(3) . 4_575 ?
V003 O008 Cu02 139.7(3) . . ?
C00F N009 C00M 126.0(5) . . ?
C00F N009 C00N 107.6(5) . . ?
C00N N009 C00M 126.3(5) . . ?
V004 O00A Cu01 155.8(4) . . ?
V004 O00B Cu02 127.7(3) . 1_554 ?
C00H N00C C00P 126.1(5) . . ?
C00K N00C C00H 107.6(5) . . ?
C00K N00C C00P 126.2(6) . . ?
C00K N00D Cu02 124.9(4) . . ?
C00K N00D C00L 105.5(5) . . ?
C00L N00D Cu02 129.6(4) . . ?
C00F N00E Cu01 126.7(4) . 2_656 ?
C00F N00E C00J 105.9(5) . . ?
C00J N00E Cu01 127.3(4) . 2_656 ?
N009 C00F H00F 124.6 . . ?
N00E C00F N009 110.7(5) . . ?
N00E C00F H00F 124.6 . . ?
C00O C00G C00M 121.1(6) . . ?
C00O C00G C00S 119.0(6) . . ?
C00S C00G C00M 119.8(6) . . ?
N00C C00H H00H 126.7 . . ?
C00L C00H N00C 106.6(6) . . ?
C00L C00H H00H 126.7 . . ?
C00Q C00I C00P 120.2(6) . . ?
C00R C00I C00P 120.5(6) . . ?
C00R C00I C00Q 119.3(6) . . ?
N00E C00J H00J 125.4 . . ?
C00N C00J N00E 109.2(5) . . ?
C00N C00J H00J 125.4 . . ?
N00C C00K H00K 124.5 . . ?
N00D C00K N00C 111.0(6) . . ?
N00D C00K H00K 124.5 . . ?
N00D C00L H00L 125.3 . . ?
C00H C00L N00D 109.3(6) . . ?
C00H C00L H00L 125.3 . . ?
N009 C00M C00G 111.9(5) . . ?
N009 C00M H00A 109.2 . . ?
N009 C00M H00B 109.2 . . ?
C00G C00M H00A 109.2 . . ?
C00G C00M H00B 109.2 . . ?
H00A C00M H00B 107.9 . . ?
N009 C00N H00N 126.7 . . ?
C00J C00N N009 106.6(6) . . ?
C00J C00N H00N 126.7 . . ?
C00G C00O H00O 119.9 . . ?
C00G C00O C00R 120.3(6) . . ?
C00R C00O H00O 119.9 . . ?
N00C C00P C00I 112.2(5) . . ?
N00C C00P H00C 109.2 . . ?
N00C C00P H00D 109.2 . . ?
C00I C00P H00C 109.2 . . ?
C00I C00P H00D 109.2 . . ?
H00C C00P H00D 107.9 . . ?
C00I C00Q H00Q 119.8 . . ?
C00I C00Q C00S 120.4(6) . . ?
C00S C00Q H00Q 119.8 . . ?
C00I C00R C00O 120.8(6) . . ?
C00I C00R H00R 119.6 . . ?
C00O C00R H00R 119.6 . . ?
C00G C00S C00Q 120.2(6) . . ?
C00G C00S H00S 119.9 . . ?
C00Q C00S H00S 119.9 . . ?

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
Cu01 N00E C00F N009 177.2(4) 2_656 . . . ?
Cu01 N00E C00J C00N -177.7(5) 2_656 . . . ?
Cu02 N00D C00K N00C 177.3(4) . . . . ?
Cu02 N00D C00L C00H -177.3(5) . . . . ?
O005 V003 O006 Cu02 105.6(3) . . . 4_575 ?
O005 V003 O008 Cu02 157.8(4) . . . . ?
O005 V004 O007 V003 79.5(5) . . . 4_575 ?
O005 V004 O00A Cu01 -109.2(6) . . . . ?
O005 V004 O00B Cu02 -107.4(3) . . . 1_554 ?
O006 V003 O005 V004 -46.1(4) . . . . ?
O006 V003 O008 Cu02 36.5(5) . . . . ?
O007 V003 O005 V004 73.8(4) 4_576 . . . ?
O007 V003 O006 Cu02 -14.2(3) 4_576 . . 4_575 ?
O007 V003 O008 Cu02 -83.8(4) 4_576 . . . ?
O007 V004 O005 V003 -13.9(4) . . . . ?
O007 V004 O00A Cu01 130.5(6) . . . . ?
O007 V004 O00B Cu02 13.6(4) . . . 1_554 ?
O008 Cu02 N00D C00K 161.2(6) . . . . ?
O008 Cu02 N00D C00L -22.1(11) . . . . ?
O008 V003 O005 V004 -167.2(3) . . . . ?
O008 V003 O006 Cu02 -135.1(3) . . . 4_575 ?
O00A V004 O005 V003 -133.3(4) . . . . ?
O00A V004 O007 V003 -162.4(4) . . . 4_575 ?
O00A V004 O00B Cu02 135.0(3) . . . 1_554 ?
O00B Cu02 O008 V003 137.0(4) 1_556 . . . ?
O00B Cu02 N00D C00K -67.0(5) 1_556 . . . ?
O00B Cu02 N00D C00L 109.7(5) 1_556 . . . ?
O00B V004 O005 V003 106.6(4) . . . . ?
O00B V004 O007 V003 -39.7(5) . . . 4_575 ?
O00B V004 O00A Cu01 8.7(7) . . . . ?
N00C C00H C00L N00D 0.2(7) . . . . ?
N00D Cu02 O008 V003 -90.1(8) . . . . ?
N00E Cu01 O00A V004 91.3(6) 2_646 . . . ?
N00E Cu01 O00A V004 -88.7(6) 4_473 . . . ?
N00E C00J C00N N009 0.4(8) . . . . ?
C00F N009 C00M C00G -84.3(7) . . . . ?
C00F N009 C00N C00J -0.7(7) . . . . ?
C00F N00E C00J C00N 0.1(7) . . . . ?
C00G C00O C00R C00I -0.8(11) . . . . ?
C00H N00C C00K N00D 0.2(7) . . . . ?
C00H N00C C00P C00I 81.1(8) . . . . ?
C00I C00Q C00S C00G 1.8(11) . . . . ?
C00J N00E C00F N009 -0.5(7) . . . . ?
C00K N00C C00H C00L -0.2(7) . . . . ?
C00K N00C C00P C00I -98.8(7) . . . . ?
C00K N00D C00L C00H -0.1(7) . . . . ?
C00L N00D C00K N00C -0.1(7) . . . . ?
C00M N009 C00F N00E 177.5(5) . . . . ?
C00M N009 C00N C00J -177.4(6) . . . . ?
C00M C00G C00O C00R -179.0(6) . . . . ?
C00M C00G C00S C00Q 178.5(6) . . . . ?
C00N N009 C00F N00E 0.8(7) . . . . ?
C00N N009 C00M C00G 91.8(8) . . . . ?
C00O C00G C00M N009 115.0(6) . . . . ?
C00O C00G C00S C00Q -2.4(11) . . . . ?
C00P N00C C00H C00L 179.9(6) . . . . ?
C00P N00C C00K N00D -179.9(6) . . . . ?
C00P C00I C00Q C00S -178.6(6) . . . . ?
C00P C00I C00R C00O 178.1(6) . . . . ?
C00Q C00I C00P N00C -95.1(7) . . . . ?
C00Q C00I C00R C00O 0.1(11) . . . . ?
C00R C00I C00P N00C 86.9(8) . . . . ?
C00R C00I C00Q C00S -0.6(11) . . . . ?
C00S C00G C00M N009 -66.0(8) . . . . ?
C00S C00G C00O C00R 2.0(10) . . . . ?

_olex2_submission_special_instructions 'No special instructions were received'
