# Electronic Supplementary Material (ESI) for ChemComm.
# This journal is © The Royal Society of Chemistry 2015

####################################################################### 
# 
# 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_p140421c
_database_code_depnum_ccdc_archive 'CCDC 1040717'
_audit_update_record             
;
2014-12-22 deposited with the CCDC.
2015-04-22 downloaded from the CCDC.
;
_audit_creation_date             2014-12-22
_audit_creation_method           
;
Olex2 1.2
(compiled 2014.11.28 svn.r3106 for OlexSys, GUI svn.r4959)
;
_shelxl_version_number           2013-2
_chemical_name_common            ?
_chemical_name_systematic        
;
 ?
;
_chemical_formula_moiety         'C16 Cu2 O19.5 S2'
_chemical_formula_sum            'C16 H17.13 Cu2 O19.50 S2'
_chemical_formula_weight         712.62
_chemical_melting_point          ?
_chemical_oxdiff_formula         C1H1O1N1CU1
_chemical_oxdiff_usercomment     4
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'
O O 0.0106 0.0060 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
S S 0.1246 0.1234 '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                   7.6226(6)
_cell_length_b                   8.0332(7)
_cell_length_c                   19.2709(16)
_cell_angle_alpha                89.772(7)
_cell_angle_beta                 88.902(7)
_cell_angle_gamma                76.322(7)
_cell_volume                     1146.35(17)
_cell_formula_units_Z            2
_cell_measurement_reflns_used    2024
_cell_measurement_temperature    127.85(10)
_cell_measurement_theta_max      27.1770
_cell_measurement_theta_min      3.4410
_shelx_estimated_absorpt_T_max   ?
_shelx_estimated_absorpt_T_min   ?
_exptl_absorpt_coefficient_mu    2.138
_exptl_absorpt_correction_T_max  1.00000
_exptl_absorpt_correction_T_min  0.72057
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   
;
CrysAlisPro, Agilent Technologies,
Version 1.171.36.28 (release 01-02-2013 CrysAlis171 .NET)
(compiled Feb  1 2013,16:14:44)
Empirical absorption correction using spherical harmonics,
 implemented in SCALE3 ABSPACK scaling algorithm.
;
_exptl_crystal_density_diffrn    2.065
_exptl_crystal_density_meas      ?
_exptl_crystal_density_method    ?
_exptl_crystal_F_000             718
_exptl_crystal_size_max          ?
_exptl_crystal_size_mid          ?
_exptl_crystal_size_min          ?
_exptl_special_details           
;
 ?
;
_exptl_transmission_factor_max   ?
_exptl_transmission_factor_min   ?
_diffrn_reflns_av_R_equivalents  0.0552
_diffrn_reflns_av_unetI/netI     0.1081
_diffrn_reflns_Laue_measured_fraction_full 0.973
_diffrn_reflns_Laue_measured_fraction_max 0.999
_diffrn_reflns_limit_h_max       9
_diffrn_reflns_limit_h_min       -9
_diffrn_reflns_limit_k_max       9
_diffrn_reflns_limit_k_min       -9
_diffrn_reflns_limit_l_max       19
_diffrn_reflns_limit_l_min       -22
_diffrn_reflns_number            7937
_diffrn_reflns_point_group_measured_fraction_full 0.973
_diffrn_reflns_point_group_measured_fraction_max 0.999
_diffrn_reflns_theta_full        25.242
_diffrn_reflns_theta_max         25.010
_diffrn_reflns_theta_min         2.928
_diffrn_ambient_temperature      127.85(10)
_diffrn_detector_area_resol_mean 16.2116
_diffrn_measured_fraction_theta_full 0.973
_diffrn_measured_fraction_theta_max 0.999
_diffrn_measurement_details      
;
#__ type_ start__ end____ width___ exp.time_
  1 omega  -39.00  -12.00   1.0000    2.0000
omega____ theta____ kappa____ phi______ frames
    -       18.0372  -57.0000 -120.0000 27

#__ type_ start__ end____ width___ exp.time_
  2 omega   33.00   72.00   1.0000    2.0000
omega____ theta____ kappa____ phi______ frames
    -       18.0372 -120.0000  -64.0000 39

#__ type_ start__ end____ width___ exp.time_
  3 omega   -2.00   76.00   1.0000    2.0000
omega____ theta____ kappa____ phi______ frames
    -       18.0372   77.0000  150.0000 78

#__ type_ start__ end____ width___ exp.time_
  4 omega    6.00   60.00   1.0000    2.0000
omega____ theta____ kappa____ phi______ frames
    -       18.0372  -99.0000   60.0000 54

#__ type_ start__ end____ width___ exp.time_
  5 omega  -33.00   50.00   1.0000    2.0000
omega____ theta____ kappa____ phi______ frames
    -      -18.8185   57.0000    0.0000 83

#__ type_ start__ end____ width___ exp.time_
  6 omega  -92.00   24.00   1.0000    2.0000
omega____ theta____ kappa____ phi______ frames
    -      -18.8185  -19.0000 -180.0000 116
;
_diffrn_measurement_device_type  'SuperNova, Single source at offset, Eos'
_diffrn_measurement_method       'ω scans'
_diffrn_orient_matrix_UB_11      0.0025986000
_diffrn_orient_matrix_UB_12      0.0350573000
_diffrn_orient_matrix_UB_13      -0.0337380000
_diffrn_orient_matrix_UB_21      -0.0281827000
_diffrn_orient_matrix_UB_22      0.0838062000
_diffrn_orient_matrix_UB_23      0.0140099000
_diffrn_orient_matrix_UB_31      0.0915088000
_diffrn_orient_matrix_UB_32      0.0023254000
_diffrn_orient_matrix_UB_33      0.0045498000
_diffrn_radiation_monochromator  mirror
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_source                   'SuperNova (Mo) X-ray Source'
_reflns_Friedel_coverage         0.000
_reflns_Friedel_fraction_full    .
_reflns_Friedel_fraction_max     .
_reflns_number_gt                2751
_reflns_number_total             4037
_reflns_odcompleteness_completeness 99.85
_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.
 
 _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, Agilent Technologies,
Version 1.171.36.28 (release 01-02-2013 CrysAlis171 .NET)
(compiled Feb  1 2013,16:14:44)
;
_computing_data_collection       
;
CrysAlisPro, Agilent Technologies,
Version 1.171.36.28 (release 01-02-2013 CrysAlis171 .NET)
(compiled Feb  1 2013,16:14:44)
;
_computing_data_reduction        
;
CrysAlisPro, Agilent Technologies,
Version 1.171.36.28 (release 01-02-2013 CrysAlis171 .NET)
(compiled Feb  1 2013,16:14:44)
;
_computing_molecular_graphics    'Olex2 (Dolomanov et al., 2009)'
_computing_publication_material  'Olex2 (Dolomanov et al., 2009)'
_computing_structure_refinement  'ShelXL (Sheldrick, 2008)'
_computing_structure_solution    
;
Superflip (Palatinus & Chapuis, 2007;Palatinus & van der Lee, 2008;
Palatinus et al., 2012)
;
_refine_diff_density_max         1.238
_refine_diff_density_min         -1.299
_refine_diff_density_rms         0.160
_refine_ls_extinction_coef       .
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.096
_refine_ls_hydrogen_treatment    undef
_refine_ls_matrix_type           full
_refine_ls_number_parameters     380
_refine_ls_number_reflns         4037
_refine_ls_number_restraints     30
_refine_ls_R_factor_all          0.1000
_refine_ls_R_factor_gt           0.0686
_refine_ls_restrained_S_all      1.118
_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)+(0.0817P)²]
 where P=(Fo²+2Fc²)/3
;
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1642
_refine_ls_wR_factor_ref         0.1929
_refine_special_details          
;
 ?
;
_olex2_refinement_description    
;
1. Uiso/Uaniso restraints and constraints
Uanis(C0AA) \\sim Ueq, Uanis(C1) \\sim Ueq, Uanis(O6) \\sim Ueq: with sigma of
0.005 and sigma for terminal atoms of 0.01
Uanis(O17) \\sim Ueq: with sigma of 0.005 and sigma for terminal atoms of 0.02
Uanis(Cu1') \\sim Ueq: with sigma of 0.001 and sigma for terminal atoms of 0.002
2. Others
 Sof(Cu1')=1-FVAR(1)
 Sof(Cu1)=FVAR(1)
 Fixed Sof: Cu2(0.5) Cu3(0.5) O0AA(0.5)
;
_atom_sites_solution_hydrogens   .
_atom_sites_solution_primary     iterative
_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 1.21689(10) 0.68353(10) 0.47309(4) 0.0131(3) Uani 0.928(3) 1 d . . P A 1
Cu2 Cu 0.55616(19) 0.3142(2) 0.97327(8) 0.0131(4) Uani 0.5 1 d . . P . .
Cu3 Cu 1.06106(19) 0.3192(2) 0.97322(8) 0.0137(4) Uani 0.5 1 d . . P . .
S1 S 0.6145(2) 0.5245(2) 0.75278(9) 0.0164(4) Uani 1 1 d . . . . .
S2 S 1.1204(2) 0.5353(2) 0.74708(9) 0.0170(4) Uani 1 1 d . . . . .
O17 O 1.0739(6) 1.0001(5) 0.6828(2) 0.0176(11) Uani 1 1 d . U . . .
O10 O 0.7329(6) 0.4469(6) 0.6124(2) 0.0191(11) Uani 1 1 d . . . . .
O14 O 1.0344(7) 0.4632(7) 0.8902(3) 0.0300(13) Uani 1 1 d . . . . .
O3 O 0.9588(5) 0.6923(6) 0.4677(2) 0.0178(11) Uani 1 1 d . . . . .
O19 O 1.2428(6) 0.4849(6) 0.6030(2) 0.0192(11) Uani 1 1 d . . . . .
O2 O 1.4734(5) 0.6850(6) 0.4769(2) 0.0201(12) Uani 1 1 d . . . . .
O8 O 0.5745(6) 0.9773(6) 0.6766(3) 0.0228(12) Uani 1 1 d . . . . .
O7 O 0.4278(6) 0.9895(6) 0.8171(3) 0.0236(12) Uani 1 1 d . . . . .
O16 O 0.9347(6) 0.9899(6) 0.8235(3) 0.0244(12) Uani 1 1 d . . . . .
O13 O 1.3099(6) 0.3075(6) 0.9727(3) 0.0244(12) Uani 1 1 d . . . . .
O18 O 1.1812(6) 0.7625(6) 0.5701(2) 0.0183(11) Uani 1 1 d . . . . .
O5 O 0.5248(6) 0.4690(7) 0.8942(3) 0.0342(14) Uani 1 1 d . . . . .
O11 O 0.8097(5) 0.3143(6) 0.9718(3) 0.0228(12) Uani 1 1 d . . . . .
O1 O 1.1575(6) 0.9583(6) 0.4380(2) 0.0215(11) Uani 1 1 d . . . . .
O9 O 0.7532(7) 0.7112(6) 0.5798(3) 0.0314(13) Uani 1 1 d . . . . .
O15 O 0.9186(8) 0.7310(9) 0.9245(3) 0.065(2) Uani 1 1 d . . . . .
C10 C 1.0273(8) 0.6823(9) 0.8099(3) 0.0150(15) Uani 1 1 d . . . . .
C0AA C 1.1346(8) 0.6921(8) 0.6877(3) 0.0131(14) Uani 1 1 d . U . . .
C2 C 0.5197(8) 0.6815(8) 0.8120(3) 0.0146(15) Uani 1 1 d . . . . .
C7 C 0.6363(8) 0.6713(8) 0.6901(3) 0.0138(14) Uani 1 1 d . . . . .
C8 C 0.7141(8) 0.6067(9) 0.6219(4) 0.0176(15) Uani 1 1 d . . . . .
C4 C 0.4779(10) 1.1376(9) 0.7843(4) 0.0268(18) Uani 1 1 d . . . . .
C14 C 1.0728(7) 0.8524(8) 0.7159(3) 0.0115(14) Uani 1 1 d . . . . .
C3 C 0.5022(8) 0.8411(8) 0.7838(4) 0.0145(15) Uani 1 1 d . . . . .
C2AA C 0.9505(9) 1.1492(9) 0.7156(4) 0.0233(17) Uani 1 1 d . . . . .
C6 C 0.5734(8) 0.8369(9) 0.7137(4) 0.0182(16) Uani 1 1 d . . . . .
C5 C 0.4558(9) 1.1333(8) 0.7059(4) 0.0246(18) Uani 1 1 d . . . . .
C12 C 0.9764(9) 1.1446(9) 0.7931(4) 0.0252(18) Uani 1 1 d . . . . .
C1AA C 1.0074(8) 0.8465(8) 0.7865(4) 0.0147(15) Uani 1 1 d . . . . .
C16 C 1.1917(8) 0.6422(9) 0.6156(4) 0.0191(17) Uani 1 1 d . . . . .
C1 C 0.4811(9) 0.6268(11) 0.8826(4) 0.0256(17) Uani 1 1 d . U . . .
C9 C 0.9891(8) 0.6222(10) 0.8799(4) 0.0244(18) Uani 1 1 d . . . . .
O6 O 0.4162(8) 0.7445(9) 0.9261(3) 0.0622(19) Uani 1 1 d . U . . .
O4 O 0.6229(12) 0.0385(10) 0.9396(5) 0.108(4) Uani 1 1 d . . . . .
O12 O 1.1229(12) 0.0354(10) 0.9452(5) 0.111(4) Uani 1 1 d . . . . .
O0AA O 0.4232(16) 1.0168(14) 0.5374(6) 0.050(4) Uani 0.5 1 d . . P . .
Cu1' Cu 1.7164(17) 0.6796(18) 0.4736(7) 0.034(5) Uani 0.072(3) 1 d . U P 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 O10 1.938(4) 2_766 ?
Cu1 O3 1.957(4) . ?
Cu1 O2 1.961(4) . ?
Cu1 O18 1.970(4) . ?
Cu1 O1 2.250(5) . ?
Cu2 O13 1.891(4) 1_455 ?
Cu2 O5 1.945(6) . ?
Cu2 O11 1.933(4) . ?
Cu2 O6 1.997(6) 2_667 ?
Cu2 O4 2.247(8) . ?
Cu3 Cu3 3.013(3) 2_767 ?
Cu3 O14 1.957(5) . ?
Cu3 O13 1.877(4) . ?
Cu3 O11 1.926(4) . ?
Cu3 O15 2.012(6) 2_767 ?
Cu3 O12 2.281(8) . ?
S1 C2 1.722(6) . ?
S1 C7 1.718(7) . ?
S2 C10 1.717(6) . ?
S2 C0AA 1.719(7) . ?
O17 C14 1.347(8) . ?
O17 C2AA 1.472(7) . ?
O10 Cu1 1.938(4) 2_766 ?
O10 C8 1.271(8) . ?
O14 C9 1.257(9) . ?
O3 Cu1' 1.875(13) 1_455 ?
O19 C16 1.255(8) . ?
O19 Cu1' 1.957(13) 2_866 ?
O2 Cu1' 1.843(13) . ?
O8 C6 1.335(8) . ?
O8 C5 1.469(8) . ?
O7 C4 1.470(9) . ?
O7 C3 1.352(7) . ?
O16 C12 1.470(9) . ?
O16 C1AA 1.354(7) . ?
O13 Cu2 1.891(4) 1_655 ?
O18 C16 1.291(9) . ?
O5 C1 1.253(9) . ?
O9 C8 1.247(8) . ?
O9 Cu1' 2.096(15) 1_455 ?
O15 Cu3 2.012(6) 2_767 ?
O15 C9 1.249(9) . ?
C10 C1AA 1.367(9) . ?
C10 C9 1.477(10) . ?
C0AA C14 1.373(8) . ?
C0AA C16 1.476(9) . ?
C2 C3 1.369(9) . ?
C2 C1 1.473(10) . ?
C7 C8 1.475(9) . ?
C7 C6 1.380(8) . ?
C4 C5 1.524(10) . ?
C14 C1AA 1.444(9) . ?
C3 C6 1.443(10) . ?
C2AA C12 1.511(10) . ?
C1 O6 1.270(9) . ?
O6 Cu2 1.997(6) 2_667 ?
O0AA O0AA 1.82(3) 2_676 ?
Cu1' O3 1.875(13) 1_655 ?
Cu1' O19 1.957(13) 2_866 ?
Cu1' O9 2.096(15) 1_655 ?

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
O10 Cu1 O3 91.54(18) 2_766 . ?
O10 Cu1 O2 88.97(18) 2_766 . ?
O10 Cu1 O18 166.5(2) 2_766 . ?
O10 Cu1 O1 104.08(19) 2_766 . ?
O3 Cu1 O2 177.5(2) . . ?
O3 Cu1 O18 89.74(18) . . ?
O3 Cu1 O1 88.60(18) . . ?
O2 Cu1 O18 90.34(18) . . ?
O2 Cu1 O1 88.89(18) . . ?
O18 Cu1 O1 89.36(19) . . ?
O13 Cu2 O5 91.5(2) 1_455 . ?
O13 Cu2 O11 178.1(2) 1_455 . ?
O13 Cu2 O6 93.9(3) 1_455 2_667 ?
O13 Cu2 O4 87.7(3) 1_455 . ?
O5 Cu2 O6 154.5(3) . 2_667 ?
O5 Cu2 O4 111.7(3) . . ?
O11 Cu2 O5 88.6(2) . . ?
O11 Cu2 O6 86.9(2) . 2_667 ?
O11 Cu2 O4 90.5(3) . . ?
O6 Cu2 O4 93.5(3) 2_667 . ?
O14 Cu3 Cu3 75.11(17) . 2_767 ?
O14 Cu3 O15 155.9(3) . 2_767 ?
O14 Cu3 O12 111.4(3) . . ?
O13 Cu3 Cu3 96.99(16) . 2_767 ?
O13 Cu3 O14 90.2(2) . . ?
O13 Cu3 O11 175.9(2) . . ?
O13 Cu3 O15 87.0(2) . 2_767 ?
O13 Cu3 O12 89.2(3) . . ?
O11 Cu3 Cu3 87.08(15) . 2_767 ?
O11 Cu3 O14 91.1(2) . . ?
O11 Cu3 O15 93.4(3) . 2_767 ?
O11 Cu3 O12 86.7(3) . . ?
O15 Cu3 Cu3 81.4(2) 2_767 2_767 ?
O15 Cu3 O12 92.5(3) 2_767 . ?
O12 Cu3 Cu3 171.1(3) . 2_767 ?
C7 S1 C2 92.8(3) . . ?
C0AA S2 C10 92.6(3) . . ?
C14 O17 C2AA 112.5(5) . . ?
C8 O10 Cu1 129.1(5) . 2_766 ?
C9 O14 Cu3 134.1(5) . . ?
C16 O19 Cu1' 141.9(7) . 2_866 ?
C6 O8 C5 113.2(6) . . ?
C3 O7 C4 112.4(5) . . ?
C1AA O16 C12 112.8(5) . . ?
Cu3 O13 Cu2 175.6(3) . 1_655 ?
C16 O18 Cu1 114.9(4) . . ?
C1 O5 Cu2 138.7(5) . . ?
Cu3 O11 Cu2 178.0(3) . . ?
C8 O9 Cu1' 119.2(6) . 1_455 ?
C9 O15 Cu3 122.0(5) . 2_767 ?
C1AA C10 S2 111.5(5) . . ?
C1AA C10 C9 128.9(6) . . ?
C9 C10 S2 119.4(5) . . ?
C14 C0AA S2 111.1(5) . . ?
C14 C0AA C16 129.5(6) . . ?
C16 C0AA S2 119.1(5) . . ?
C3 C2 S1 110.9(5) . . ?
C3 C2 C1 131.3(6) . . ?
C1 C2 S1 117.7(5) . . ?
C8 C7 S1 118.2(5) . . ?
C6 C7 S1 111.4(5) . . ?
C6 C7 C8 130.4(7) . . ?
O10 C8 C7 115.1(6) . . ?
O9 C8 O10 126.7(6) . . ?
O9 C8 C7 118.1(6) . . ?
O7 C4 C5 110.4(5) . . ?
O17 C14 C0AA 124.7(6) . . ?
O17 C14 C1AA 122.9(5) . . ?
C0AA C14 C1AA 112.4(6) . . ?
O7 C3 C2 124.6(6) . . ?
O7 C3 C6 122.3(6) . . ?
C2 C3 C6 113.1(6) . . ?
O17 C2AA C12 110.0(6) . . ?
O8 C6 C7 124.7(7) . . ?
O8 C6 C3 123.6(6) . . ?
C7 C6 C3 111.7(6) . . ?
O8 C5 C4 110.2(6) . . ?
O16 C12 C2AA 110.8(5) . . ?
O16 C1AA C14 122.4(6) . . ?
C10 C1AA O16 125.3(6) . . ?
C10 C1AA C14 112.3(6) . . ?
O19 C16 O18 125.0(6) . . ?
O19 C16 C0AA 117.0(7) . . ?
O18 C16 C0AA 118.0(6) . . ?
O5 C1 C2 116.3(7) . . ?
O6 C1 O5 126.8(8) . . ?
O6 C1 C2 116.8(7) . . ?
O14 C9 C10 116.7(7) . . ?
O15 C9 O14 124.9(8) . . ?
O15 C9 C10 118.4(7) . . ?
C1 O6 Cu2 117.5(5) . 2_667 ?
O3 Cu1' O19 90.3(6) 1_655 2_866 ?
O3 Cu1' O9 82.7(5) 1_655 1_655 ?
O19 Cu1' O9 144.7(8) 2_866 1_655 ?
O2 Cu1' O3 175.4(9) . 1_655 ?
O2 Cu1' O19 91.5(6) . 2_866 ?
O2 Cu1' O9 98.3(6) . 1_655 ?

_olex2_submission_special_instructions 'No special instructions were received'
