# Electronic Supplementary Material (ESI) for Dalton Transactions.
# This journal is © The Royal Society of Chemistry 2017

####################################################################### 
# 
# 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. 
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data_1_sq_s
_database_code_depnum_ccdc_archive 'CCDC 1524015'
_audit_update_record             
;
2016-12-22 deposited with the CCDC.
2017-04-24 downloaded from the CCDC.
;
_audit_creation_date             2016-11-24
_audit_creation_method           
;
Olex2 1.2
(compiled 2016.02.19 svn.r3266 for OlexSys, GUI svn.r5155)
;
_shelxl_version_number           2014-1
_chemical_name_common            ?
_chemical_name_systematic        
;
 ?
;
_chemical_formula_moiety         '0.5(C150.22 H100 Cu14 N41.78 O56 P16 Si4)'
_chemical_formula_sum            'C75 H52 Cu7 N21 O28 P8 Si2'
_chemical_formula_weight         2444.09
_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'
O O 0.0106 0.0060 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Si Si 0.0817 0.0704 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
P P 0.1023 0.0942 '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'

_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/n 1'
_space_group_name_Hall           '-P 2yn'
loop_
_space_group_symop_operation_xyz
'x, y, z'
'-x+1/2, y+1/2, -z+1/2'
'-x, -y, -z'
'x-1/2, -y-1/2, z-1/2'

_cell_length_a                   13.6147(10)
_cell_length_b                   17.8396(13)
_cell_length_c                   20.1820(14)
_cell_angle_alpha                90
_cell_angle_beta                 94.425(2)
_cell_angle_gamma                90
_cell_volume                     4887.2(6)
_cell_formula_units_Z            2
_cell_measurement_reflns_used    3304
_cell_measurement_temperature    296(2)
_cell_measurement_theta_max      22.799
_cell_measurement_theta_min      2.194
_shelx_estimated_absorpt_T_max   ?
_shelx_estimated_absorpt_T_min   ?
_exptl_absorpt_coefficient_mu    1.734
_exptl_absorpt_correction_T_max  0.7453
_exptl_absorpt_correction_T_min  0.6217
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   
;
SADABS-2012/1 (Bruker,2012) was used for absorption correction.
wR2(int) was 0.0704 before and 0.0555 after correction.
The Ratio of minimum to maximum transmission is 0.8342.
The λ/2 correction factor is 0.0015.
;
_exptl_crystal_colour            ?
_exptl_crystal_density_diffrn    1.661
_exptl_crystal_density_meas      ?
_exptl_crystal_density_method    ?
_exptl_crystal_description       ?
_exptl_crystal_F_000             2448
_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  ?
_diffrn_reflns_av_unetI/netI     0.0727
_diffrn_reflns_Laue_measured_fraction_full 1.000
_diffrn_reflns_Laue_measured_fraction_max 0.998
_diffrn_reflns_limit_h_max       16
_diffrn_reflns_limit_h_min       ?
_diffrn_reflns_limit_k_max       22
_diffrn_reflns_limit_k_min       ?
_diffrn_reflns_limit_l_max       25
_diffrn_reflns_limit_l_min       ?
_diffrn_reflns_number            ?
_diffrn_reflns_point_group_measured_fraction_full 1.000
_diffrn_reflns_point_group_measured_fraction_max 0.998
_diffrn_reflns_theta_full        25.242
_diffrn_reflns_theta_max         26.168
_diffrn_reflns_theta_min         1.873
_diffrn_ambient_temperature      296.15
_diffrn_detector_area_resol_mean ?
_diffrn_measured_fraction_theta_full 1.000
_diffrn_measured_fraction_theta_max 0.998
_diffrn_measurement_device_type  ?
_diffrn_measurement_method       ?
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_source                   ?
_reflns_Friedel_coverage         0.000
_reflns_Friedel_fraction_full    .
_reflns_Friedel_fraction_max     .
_reflns_number_gt                6946
_reflns_number_total             9755
_reflns_special_details          
;
 Data were apparently pre-merged, so _diffrn_reflns_number
 etc. will have to be added later.
 
 Reflections were merged by SHELXL according to the crystal
 class for the calculation of statistics and refinement.
 
 Structure factors included contributions from the .fab file.
 
 _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  'ShelXL (Sheldrick, 2015)'
_computing_structure_solution    'SIR2004 (Burla et al., 2007)'
_refine_diff_density_max         1.038
_refine_diff_density_min         -1.299
_refine_diff_density_rms         0.108
_refine_ls_extinction_coef       .
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.027
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     639
_refine_ls_number_reflns         9755
_refine_ls_number_restraints     0
_refine_ls_R_factor_all          0.0792
_refine_ls_R_factor_gt           0.0524
_refine_ls_restrained_S_all      1.027
_refine_ls_shift/su_max          0.001
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details     
'w=1/[σ²(Fo²)+(0.0593P)²+4.5524P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1231
_refine_ls_wR_factor_ref         0.1358
_refine_special_details          
;
 ?
;
_olex2_refinement_description    
;
1. Fixed Uiso
 At 1.2 times of:
  All C(H) groups
 At 1.5 times of:
  All O(H) groups
2. Shared sites
{C34, N34}
{C35, N35}
{C36, N36}
3. Uiso/Uaniso restraints and constraints
Uanis(C34) = Uanis(N34)
Uanis(C35) = Uanis(N35)
Uanis(C36) = Uanis(N36)
4. Others
 Sof(N34)=Sof(N35)=Sof(N36)=1-FVAR(1)
 Sof(C34)=Sof(C35)=Sof(C36)=FVAR(1)
5.a Aromatic/amide H refined with riding coordinates:
 C2(H2), C3(H3), C5(H5), C6(H6), C8(H8), C9(H9), C11(H11), C12(H12), C14(H14),
 C15(H15), C17(H17), C18(H18), C20(H20), C21(H21), C23(H23), C24(H24), C25(H25),
  C26(H26), C28(H28), C29(H29), C31(H31), C32(H32), C37(H37), C39(H39)
5.b Idealised tetrahedral OH refined as rotating group:
 O9(H9A)
;
_atom_sites_solution_hydrogens   geom
_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
C1 C 0.5883(3) 0.5087(3) 0.6619(2) 0.0207(10) Uani 1 1 d . . . . .
C2 C 0.5863(4) 0.4711(3) 0.7221(3) 0.0345(12) Uani 1 1 d . . . . .
H2 H 0.6310 0.4324 0.7316 0.041 Uiso 1 1 calc R . . . .
C3 C 0.5207(4) 0.4891(3) 0.7680(2) 0.0356(13) Uani 1 1 d . . . . .
H3 H 0.5221 0.4632 0.8081 0.043 Uiso 1 1 calc R . . . .
C4 C 0.4529(3) 0.5455(3) 0.7549(2) 0.0233(10) Uani 1 1 d . . . . .
C5 C 0.4481(3) 0.5802(3) 0.6934(2) 0.0308(12) Uani 1 1 d . . . . .
H5 H 0.3993 0.6156 0.6826 0.037 Uiso 1 1 calc R . . . .
C6 C 0.5161(3) 0.5625(3) 0.6478(2) 0.0298(11) Uani 1 1 d . . . . .
H6 H 0.5131 0.5872 0.6072 0.036 Uiso 1 1 calc R . . . .
C7 C 0.6774(3) 0.4069(3) 0.5579(2) 0.0212(10) Uani 1 1 d . . . . .
C8 C 0.5923(4) 0.3654(3) 0.5553(2) 0.0302(12) Uani 1 1 d . . . . .
H8 H 0.5455 0.3760 0.5851 0.036 Uiso 1 1 calc R . . . .
C9 C 0.5740(4) 0.3080(3) 0.5095(2) 0.0354(13) Uani 1 1 d . . . . .
H9 H 0.5155 0.2809 0.5090 0.042 Uiso 1 1 calc R . . . .
C10 C 0.6424(3) 0.2911(3) 0.4647(2) 0.0223(10) Uani 1 1 d . . . . .
C11 C 0.7288(4) 0.3313(3) 0.4681(3) 0.0456(15) Uani 1 1 d . . . . .
H11 H 0.7769 0.3197 0.4394 0.055 Uiso 1 1 calc R . . . .
C12 C 0.7450(4) 0.3882(3) 0.5133(3) 0.0437(15) Uani 1 1 d . . . . .
H12 H 0.8035 0.4151 0.5138 0.052 Uiso 1 1 calc R . . . .
C13 C 0.7070(3) 0.5724(3) 0.5520(2) 0.0224(10) Uani 1 1 d . . . . .
C14 C 0.6736(4) 0.5684(3) 0.4856(2) 0.0390(14) Uani 1 1 d . . . . .
H14 H 0.6394 0.5259 0.4704 0.047 Uiso 1 1 calc R . . . .
C15 C 0.6892(4) 0.6254(3) 0.4412(3) 0.0388(14) Uani 1 1 d . . . . .
H15 H 0.6656 0.6205 0.3970 0.047 Uiso 1 1 calc R . . . .
C16 C 0.7396(3) 0.6894(3) 0.4619(2) 0.0248(10) Uani 1 1 d . . . . .
C17 C 0.7709(5) 0.6953(3) 0.5286(3) 0.0489(16) Uani 1 1 d . . . . .
H17 H 0.8036 0.7383 0.5442 0.059 Uiso 1 1 calc R . . . .
C18 C 0.7539(5) 0.6378(3) 0.5722(2) 0.0432(15) Uani 1 1 d . . . . .
H18 H 0.7749 0.6435 0.6169 0.052 Uiso 1 1 calc R . . . .
C19 C 0.8023(3) 0.4899(3) 0.6744(2) 0.0212(10) Uani 1 1 d . . . . .
C20 C 0.8799(3) 0.4400(3) 0.6736(2) 0.0273(11) Uani 1 1 d . . . . .
H20 H 0.8823 0.4070 0.6381 0.033 Uiso 1 1 calc R . . . .
C21 C 0.9547(3) 0.4377(3) 0.7247(2) 0.0259(10) Uani 1 1 d . . . . .
H21 H 1.0061 0.4037 0.7228 0.031 Uiso 1 1 calc R . . . .
C22 C 0.9528(3) 0.4859(2) 0.7785(2) 0.0216(10) Uani 1 1 d . . . . .
C23 C 0.8765(4) 0.5368(3) 0.7797(2) 0.0332(12) Uani 1 1 d . . . . .
H23 H 0.8748 0.5701 0.8151 0.040 Uiso 1 1 calc R . . . .
C24 C 0.8025(4) 0.5386(3) 0.7286(2) 0.0339(12) Uani 1 1 d . . . . .
H24 H 0.7517 0.5732 0.7304 0.041 Uiso 1 1 calc R . . . .
C25 C 1.0247(4) 0.7534(3) 0.3449(3) 0.0349(13) Uani 1 1 d . . . . .
H25 H 0.9886 0.7549 0.3822 0.042 Uiso 1 1 calc R . . . .
C26 C 1.0575(3) 0.7470(3) 0.2450(2) 0.0292(11) Uani 1 1 d . . . . .
H26 H 1.0531 0.7436 0.1989 0.035 Uiso 1 1 calc R . . . .
C27 C 1.2416(3) 0.7476(3) 0.2666(2) 0.0276(11) Uani 1 1 d . . . . .
C28 C 1.2629(3) 0.7198(3) 0.2063(3) 0.0377(13) Uani 1 1 d . . . . .
H28 H 1.2124 0.7048 0.1755 0.045 Uiso 1 1 calc R . . . .
C29 C 1.3602(3) 0.7142(3) 0.1915(3) 0.0359(13) Uani 1 1 d . . . . .
H29 H 1.3750 0.6961 0.1502 0.043 Uiso 1 1 calc R . . . .
C30 C 1.4357(3) 0.7352(3) 0.2376(2) 0.0250(10) Uani 1 1 d . . . . .
C31 C 1.4124(3) 0.7632(3) 0.2976(3) 0.0358(13) Uani 1 1 d . . . . .
H31 H 1.4627 0.7788 0.3284 0.043 Uiso 1 1 calc R . . . .
C32 C 1.3163(4) 0.7688(3) 0.3132(3) 0.0357(13) Uani 1 1 d . . . . .
H32 H 1.3016 0.7867 0.3546 0.043 Uiso 1 1 calc R . . . .
C33 C 1.5385(3) 0.7234(3) 0.2226(2) 0.0225(10) Uani 1 1 d . . . . .
C34 C 0.5904(4) 0.9643(3) 0.1245(2) 0.0373(14) Uani 0.52(4) 1 d . . . . .
N34 N 0.5904(4) 0.9643(3) 0.1245(2) 0.0373(14) Uani 0.48(4) 1 d . . . . .
C35 C 0.6816(4) 0.9781(3) 0.2112(3) 0.0484(16) Uani 0.52(4) 1 d . . . . .
N35 N 0.6816(4) 0.9781(3) 0.2112(3) 0.0484(16) Uani 0.48(4) 1 d . . . . .
C36 C 0.5706(4) 0.9076(3) 0.1657(2) 0.0390(14) Uani 0.52(4) 1 d . . . . .
N36 N 0.5706(4) 0.9076(3) 0.1657(2) 0.0390(14) Uani 0.48(4) 1 d . . . . .
C37 C 0.5523(4) 1.0533(3) 0.0363(3) 0.0437(14) Uani 1 1 d . . . . .
H37 H 0.5883 1.0892 0.0613 0.052 Uiso 1 1 calc R . . . .
C38 C 0.5430(4) 0.9819(3) 0.0612(2) 0.0349(12) Uani 1 1 d . . . . .
C39 C 0.4911(4) 0.9285(3) 0.0248(3) 0.0413(14) Uani 1 1 d . . . . .
H39 H 0.4853 0.8803 0.0416 0.050 Uiso 1 1 calc R . . . .
Cu1 Cu 0.75358(4) 0.08141(3) 0.37155(3) 0.02524(15) Uani 1 1 d . . . . .
Cu2 Cu 0.83686(4) 0.74387(3) 0.25515(3) 0.02117(14) Uani 1 1 d . . . . .
Cu3 Cu 0.64720(5) 0.85727(4) 0.30268(3) 0.03336(18) Uani 1 1 d . . . . .
Cu4 Cu 1.0000 0.5000 1.0000 0.0347(2) Uani 1 2 d S T P . .
N1 N 0.9820(3) 0.7482(2) 0.28196(19) 0.0262(9) Uani 1 1 d . . . . .
N2 N 1.1203(3) 0.7560(3) 0.3485(2) 0.0403(12) Uani 1 1 d . . . . .
N3 N 1.1415(3) 0.7515(2) 0.2837(2) 0.0276(9) Uani 1 1 d . . . . .
N4 N 1.6175(3) 0.7587(2) 0.25023(18) 0.0213(8) Uani 1 1 d . . . . .
N5 N 1.6950(3) 0.7250(2) 0.22579(18) 0.0232(9) Uani 1 1 d . . . . .
N6 N 1.6633(3) 0.6722(2) 0.1838(2) 0.0296(9) Uani 1 1 d . . . . .
N7 N 1.5653(3) 0.6706(2) 0.1810(2) 0.0320(10) Uani 1 1 d . . . . .
N8 N 0.6614(4) 1.0101(3) 0.1542(2) 0.0494(13) Uani 1 1 d . . . . .
N9 N 0.6282(3) 0.9161(2) 0.2192(2) 0.0359(11) Uani 1 1 d . . . . .
O1 O 0.4237(3) 0.5832(2) 0.88191(17) 0.0467(10) Uani 1 1 d . . . . .
O2 O 0.3046(3) 0.4973(2) 0.8192(2) 0.0466(10) Uani 1 1 d . . . . .
O3 O 0.3052(2) 0.63333(17) 0.78902(16) 0.0266(7) Uani 1 1 d . . . . .
O4 O 0.5188(2) 0.18815(18) 0.41017(16) 0.0284(8) Uani 1 1 d . . . . .
O5 O 0.6366(2) 0.25052(18) 0.33784(15) 0.0275(8) Uani 1 1 d . . . . .
O6 O 0.7006(2) 0.15661(18) 0.42752(15) 0.0266(7) Uani 1 1 d . . . . .
O7 O 0.8105(2) 0.71736(18) 0.34574(15) 0.0268(7) Uani 1 1 d . . . . .
O8 O 0.6747(3) 0.8018(2) 0.38371(16) 0.0346(8) Uani 1 1 d . . . . .
O9 O 0.8472(3) 0.8079(2) 0.44091(16) 0.0431(10) Uani 1 1 d . . . . .
H9A H 0.8615 0.8432 0.4175 0.065 Uiso 1 1 calc GR . . . .
O10 O 1.1252(2) 0.43089(18) 0.82348(15) 0.0261(7) Uani 1 1 d . . . . .
O11 O 1.0861(2) 0.56584(18) 0.85412(15) 0.0278(8) Uani 1 1 d . . . . .
O12 O 1.0049(2) 0.46010(18) 0.90833(15) 0.0267(7) Uani 1 1 d . . . . .
O13 O 0.8601(3) 0.0583(3) 0.4415(2) 0.0773(16) Uani 1 1 d . . . . .
O14 O 0.9176(3) 0.4115(2) 1.01579(19) 0.0550(12) Uani 1 1 d . . . . .
P1 P 0.36771(9) 0.56755(7) 0.81539(6) 0.0274(3) Uani 1 1 d . . . . .
P2 P 0.62658(9) 0.21710(7) 0.40484(6) 0.0219(3) Uani 1 1 d . . . . .
P3 P 0.76749(9) 0.75821(7) 0.40210(6) 0.0262(3) Uani 1 1 d . . . . .
P4 P 1.04901(9) 0.48617(7) 0.84480(6) 0.0216(3) Uani 1 1 d . . . . .
Si1 Si 0.69393(9) 0.49293(7) 0.61050(6) 0.0183(3) Uani 1 1 d . . . . .


_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
C1 C2 1.389(6) . ?
C1 C6 1.388(6) . ?
C1 Si1 1.858(4) . ?
C2 C3 1.374(7) . ?
C3 C4 1.376(6) . ?
C4 C5 1.383(6) . ?
C4 P1 1.793(4) . ?
C5 C6 1.391(6) . ?
C7 C8 1.372(6) . ?
C7 C12 1.377(6) . ?
C7 Si1 1.870(5) . ?
C8 C9 1.389(6) . ?
C9 C10 1.380(6) . ?
C10 C11 1.375(7) . ?
C10 P2 1.792(4) . ?
C11 C12 1.371(7) . ?
C13 C14 1.382(6) . ?
C13 C18 1.376(7) . ?
C13 Si1 1.863(5) . ?
C14 C15 1.383(7) . ?
C15 C16 1.381(7) . ?
C16 C17 1.384(7) . ?
C16 P3 1.782(5) . ?
C17 C18 1.382(7) . ?
C19 C20 1.383(6) . ?
C19 C24 1.397(6) . ?
C19 Si1 1.884(4) . ?
C20 C21 1.392(6) . ?
C21 C22 1.386(6) . ?
C22 C23 1.381(6) . ?
C22 P4 1.799(5) . ?
C23 C24 1.386(7) . ?
C25 N1 1.360(6) . ?
C25 N2 1.299(6) . ?
C26 N1 1.317(6) . ?
C26 N3 1.336(6) . ?
C27 C28 1.365(7) . ?
C27 C32 1.384(7) . ?
C27 N3 1.432(6) . ?
C28 C29 1.385(7) . ?
C29 C30 1.384(6) . ?
C30 C31 1.370(7) . ?
C30 C33 1.470(6) . ?
C31 C32 1.373(7) . ?
C33 N4 1.331(6) . ?
C33 N7 1.330(6) . ?
C34 C36 1.350(6) . ?
C34 C38 1.421(7) . ?
C34 N8 1.368(7) . ?
C35 N8 1.295(6) . ?
C35 N9 1.340(7) . ?
C36 N9 1.292(6) . ?
C37 C38 1.379(7) . ?
C37 C39 1.366(7) 3_675 ?
C38 C39 1.365(8) . ?
C39 C37 1.366(7) 3_675 ?
Cu1 N6 2.313(4) 2_745 ?
Cu1 O2 1.920(3) 4_665 ?
Cu1 O6 1.929(3) . ?
Cu1 O10 1.945(3) 4_565 ?
Cu1 O13 1.988(4) . ?
Cu2 N1 2.009(4) . ?
Cu2 N5 2.005(4) 1_455 ?
Cu2 O3 2.345(3) 4_675 ?
Cu2 O5 1.942(3) 2_655 ?
Cu2 O7 1.948(3) . ?
Cu3 N4 2.076(4) 1_455 ?
Cu3 N9 1.986(4) . ?
Cu3 O3 2.196(3) 4_675 ?
Cu3 O8 1.923(3) . ?
Cu3 O11 1.945(3) 4_575 ?
Cu4 O12 1.988(3) 3_767 ?
Cu4 O12 1.988(3) . ?
Cu4 O14 1.976(4) . ?
Cu4 O14 1.976(4) 3_767 ?
N2 N3 1.364(6) . ?
N4 Cu3 2.076(4) 1_655 ?
N4 N5 1.341(5) . ?
N5 Cu2 2.005(4) 1_655 ?
N5 N6 1.316(5) . ?
N6 Cu1 2.313(4) 2_755 ?
N6 N7 1.332(5) . ?
O1 P1 1.518(4) . ?
O2 Cu1 1.920(3) 4_566 ?
O2 P1 1.524(4) . ?
O3 Cu2 2.345(3) 4_576 ?
O3 Cu3 2.196(3) 4_576 ?
O3 P1 1.521(3) . ?
O4 P2 1.567(3) . ?
O5 Cu2 1.942(3) 2_645 ?
O5 P2 1.494(3) . ?
O6 P2 1.523(3) . ?
O7 P3 1.507(3) . ?
O8 P3 1.506(3) . ?
O9 P3 1.564(4) . ?
O10 Cu1 1.945(3) 4_666 ?
O10 P4 1.518(3) . ?
O11 Cu3 1.945(3) 4_676 ?
O11 P4 1.515(3) . ?
O12 P4 1.530(3) . ?

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
C2 C1 Si1 118.9(3) . . ?
C6 C1 C2 116.8(4) . . ?
C6 C1 Si1 123.8(3) . . ?
C3 C2 C1 122.3(4) . . ?
C2 C3 C4 120.1(4) . . ?
C3 C4 C5 119.0(4) . . ?
C3 C4 P1 119.3(4) . . ?
C5 C4 P1 121.6(3) . . ?
C4 C5 C6 120.2(4) . . ?
C1 C6 C5 121.3(4) . . ?
C8 C7 C12 116.7(4) . . ?
C8 C7 Si1 121.9(3) . . ?
C12 C7 Si1 120.8(4) . . ?
C7 C8 C9 122.1(4) . . ?
C10 C9 C8 120.0(4) . . ?
C9 C10 P2 123.4(4) . . ?
C11 C10 C9 118.2(4) . . ?
C11 C10 P2 118.4(4) . . ?
C12 C11 C10 120.8(5) . . ?
C11 C12 C7 122.2(5) . . ?
C14 C13 Si1 122.3(4) . . ?
C18 C13 C14 116.3(4) . . ?
C18 C13 Si1 121.4(3) . . ?
C13 C14 C15 122.3(5) . . ?
C16 C15 C14 120.7(5) . . ?
C15 C16 C17 117.7(4) . . ?
C15 C16 P3 119.5(4) . . ?
C17 C16 P3 122.8(4) . . ?
C18 C17 C16 120.6(5) . . ?
C13 C18 C17 122.4(5) . . ?
C20 C19 C24 117.0(4) . . ?
C20 C19 Si1 124.8(3) . . ?
C24 C19 Si1 118.2(3) . . ?
C19 C20 C21 121.7(4) . . ?
C22 C21 C20 120.4(4) . . ?
C21 C22 P4 121.9(3) . . ?
C23 C22 C21 118.7(4) . . ?
C23 C22 P4 119.4(3) . . ?
C22 C23 C24 120.5(4) . . ?
C23 C24 C19 121.7(5) . . ?
N2 C25 N1 114.1(5) . . ?
N1 C26 N3 109.8(4) . . ?
C28 C27 C32 120.6(4) . . ?
C28 C27 N3 120.2(4) . . ?
C32 C27 N3 119.1(4) . . ?
C27 C28 C29 119.5(5) . . ?
C30 C29 C28 120.5(5) . . ?
C29 C30 C33 119.5(4) . . ?
C31 C30 C29 118.9(4) . . ?
C31 C30 C33 121.5(4) . . ?
C30 C31 C32 121.2(5) . . ?
C31 C32 C27 119.2(5) . . ?
N4 C33 C30 126.7(4) . . ?
N7 C33 C30 122.9(4) . . ?
N7 C33 N4 110.3(4) . . ?
C36 C34 C38 128.3(5) . . ?
C36 C34 N8 110.2(5) . . ?
N8 C34 C38 121.3(5) . . ?
N8 C35 N9 113.0(5) . . ?
N9 C36 C34 106.8(5) . . ?
C39 C37 C38 120.2(5) 3_675 . ?
C37 C38 C34 118.8(5) . . ?
C39 C38 C34 120.7(5) . . ?
C39 C38 C37 120.5(5) . . ?
C38 C39 C37 119.4(5) . 3_675 ?
O2 Cu1 N6 92.03(15) 4_665 2_745 ?
O2 Cu1 O6 176.99(16) 4_665 . ?
O2 Cu1 O10 89.56(15) 4_665 4_565 ?
O2 Cu1 O13 87.93(19) 4_665 . ?
O6 Cu1 N6 90.84(14) . 2_745 ?
O6 Cu1 O10 90.49(13) . 4_565 ?
O6 Cu1 O13 90.78(16) . . ?
O10 Cu1 N6 106.99(14) 4_565 2_745 ?
O10 Cu1 O13 155.4(2) 4_565 . ?
O13 Cu1 N6 97.55(19) . 2_745 ?
N1 Cu2 O3 94.84(14) . 4_675 ?
N5 Cu2 N1 172.33(16) 1_455 . ?
N5 Cu2 O3 92.78(13) 1_455 4_675 ?
O5 Cu2 N1 90.32(15) 2_655 . ?
O5 Cu2 N5 88.36(14) 2_655 1_455 ?
O5 Cu2 O3 106.07(12) 2_655 4_675 ?
O5 Cu2 O7 169.45(14) 2_655 . ?
O7 Cu2 N1 90.29(14) . . ?
O7 Cu2 N5 89.64(14) . 1_455 ?
O7 Cu2 O3 84.37(12) . 4_675 ?
N4 Cu3 O3 98.91(13) 1_455 4_675 ?
N9 Cu3 N4 90.42(17) . 1_455 ?
N9 Cu3 O3 85.29(16) . 4_675 ?
O8 Cu3 N4 90.88(15) . 1_455 ?
O8 Cu3 N9 176.24(18) . . ?
O8 Cu3 O3 91.02(13) . 4_675 ?
O8 Cu3 O11 88.40(13) . 4_575 ?
O11 Cu3 N4 142.65(14) 4_575 1_455 ?
O11 Cu3 N9 92.71(15) 4_575 . ?
O11 Cu3 O3 118.44(13) 4_575 4_675 ?
O12 Cu4 O12 180.0 3_767 . ?
O14 Cu4 O12 85.66(14) 3_767 3_767 ?
O14 Cu4 O12 94.34(14) . 3_767 ?
O14 Cu4 O12 85.66(14) . . ?
O14 Cu4 O12 94.34(14) 3_767 . ?
O14 Cu4 O14 180.00(15) . 3_767 ?
C25 N1 Cu2 126.5(3) . . ?
C26 N1 C25 103.5(4) . . ?
C26 N1 Cu2 129.9(3) . . ?
C25 N2 N3 103.3(4) . . ?
C26 N3 C27 130.0(4) . . ?
C26 N3 N2 109.2(4) . . ?
N2 N3 C27 120.7(4) . . ?
C33 N4 Cu3 137.2(3) . 1_655 ?
C33 N4 N5 105.5(3) . . ?
N5 N4 Cu3 116.1(3) . 1_655 ?
N4 N5 Cu2 125.7(3) . 1_655 ?
N6 N5 Cu2 124.8(3) . 1_655 ?
N6 N5 N4 109.2(3) . . ?
N5 N6 Cu1 131.6(3) . 2_755 ?
N5 N6 N7 108.6(4) . . ?
N7 N6 Cu1 119.4(3) . 2_755 ?
C33 N7 N6 106.3(4) . . ?
C35 N8 C34 102.7(5) . . ?
C35 N9 Cu3 120.1(4) . . ?
C36 N9 C35 107.2(4) . . ?
C36 N9 Cu3 132.6(4) . . ?
P1 O2 Cu1 149.1(3) . 4_566 ?
Cu3 O3 Cu2 99.73(12) 4_576 4_576 ?
P1 O3 Cu2 135.43(19) . 4_576 ?
P1 O3 Cu3 122.80(18) . 4_576 ?
P2 O5 Cu2 152.5(2) . 2_645 ?
P2 O6 Cu1 125.83(18) . . ?
P3 O7 Cu2 134.5(2) . . ?
P3 O8 Cu3 125.44(19) . . ?
P4 O10 Cu1 122.66(19) . 4_666 ?
P4 O11 Cu3 138.4(2) . 4_676 ?
P4 O12 Cu4 135.6(2) . . ?
O1 P1 C4 109.6(2) . . ?
O1 P1 O2 110.7(2) . . ?
O1 P1 O3 113.4(2) . . ?
O2 P1 C4 104.5(2) . . ?
O3 P1 C4 107.8(2) . . ?
O3 P1 O2 110.5(2) . . ?
O4 P2 C10 105.13(19) . . ?
O5 P2 C10 107.6(2) . . ?
O5 P2 O4 110.19(18) . . ?
O5 P2 O6 116.77(18) . . ?
O6 P2 C10 106.1(2) . . ?
O6 P2 O4 110.32(19) . . ?
O7 P3 C16 107.1(2) . . ?
O7 P3 O9 110.9(2) . . ?
O8 P3 C16 107.7(2) . . ?
O8 P3 O7 115.56(19) . . ?
O8 P3 O9 111.5(2) . . ?
O9 P3 C16 103.1(2) . . ?
O10 P4 C22 105.19(19) . . ?
O10 P4 O12 111.18(18) . . ?
O11 P4 C22 108.1(2) . . ?
O11 P4 O10 114.57(19) . . ?
O11 P4 O12 109.27(18) . . ?
O12 P4 C22 108.20(19) . . ?
C1 Si1 C7 112.1(2) . . ?
C1 Si1 C13 110.8(2) . . ?
C1 Si1 C19 102.8(2) . . ?
C7 Si1 C19 114.7(2) . . ?
C13 Si1 C7 106.1(2) . . ?
C13 Si1 C19 110.3(2) . . ?

_olex2_submission_special_instructions 'No special instructions were received'
