# Electronic Supplementary Material (ESI) for New Journal of Chemistry.
# This journal is © The Royal Society of Chemistry and the Centre National de la Recherche Scientifique 2016

####################################################################### 
# 
# 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_1
_database_code_depnum_ccdc_archive 'CCDC 1478280'
_audit_update_record             
;
2016-09-20 deposited with the CCDC.
2016-12-22 downloaded from the CCDC.
;
_audit_creation_date             2016-09-20
_audit_creation_method           
;
Olex2 1.2-beta
(compiled 2016.09.09 svn.r3337 for OlexSys, GUI svn.r5227)
;
_shelxl_version_number           2014-3
_chemical_name_common            ?
_chemical_name_systematic        
;
 ?
;
_chemical_formula_moiety         
'0.03(C100 H64 Cd12 O68 Si4), 0.12(C4 H3 N O), 0.12(H2 O)'
_chemical_formula_sum            'C3.52 H2.55 Cd0.36 N0.12 O2.30 Si0.12'
_chemical_formula_weight         127.61
_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'
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'
Si Si 0.0817 0.0704 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Cd Cd -0.8075 1.2024 '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                   10.4060(4)
_cell_length_b                   27.2442(9)
_cell_length_c                   13.1722(5)
_cell_angle_alpha                90
_cell_angle_beta                 102.3950(10)
_cell_angle_gamma                90
_cell_volume                     3647.3(2)
_cell_formula_units_Z            33
_cell_measurement_reflns_used    7831
_cell_measurement_temperature    296(2)
_cell_measurement_theta_max      26.131
_cell_measurement_theta_min      2.272
_shelx_estimated_absorpt_T_max   ?
_shelx_estimated_absorpt_T_min   ?
_exptl_absorpt_coefficient_mu    1.846
_exptl_absorpt_correction_T_max  0.7453
_exptl_absorpt_correction_T_min  0.5485
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   
;
SADABS-2012/1 (Bruker,2012) was used for absorption correction.
wR2(int) was 0.1170 before and 0.0413 after correction.
The Ratio of minimum to maximum transmission is 0.7359.
The λ/2 correction factor is 0.0015.
;
_exptl_crystal_colour            colourless
_exptl_crystal_density_diffrn    1.917
_exptl_crystal_density_meas      ?
_exptl_crystal_density_method    ?
_exptl_crystal_description       block
_exptl_crystal_F_000             2048
_exptl_crystal_size_max          0.3
_exptl_crystal_size_mid          0.2
_exptl_crystal_size_min          0.1
_exptl_special_details           
;
 ?
;
_exptl_transmission_factor_max   ?
_exptl_transmission_factor_min   ?
_diffrn_reflns_av_R_equivalents  0.0325
_diffrn_reflns_av_unetI/netI     0.0348
_diffrn_reflns_Laue_measured_fraction_full 1.000
_diffrn_reflns_Laue_measured_fraction_max 0.999
_diffrn_reflns_limit_h_max       7
_diffrn_reflns_limit_h_min       -12
_diffrn_reflns_limit_k_max       33
_diffrn_reflns_limit_k_min       -33
_diffrn_reflns_limit_l_max       16
_diffrn_reflns_limit_l_min       -16
_diffrn_reflns_number            23109
_diffrn_reflns_point_group_measured_fraction_full 1.000
_diffrn_reflns_point_group_measured_fraction_max 0.999
_diffrn_reflns_theta_full        25.242
_diffrn_reflns_theta_max         26.137
_diffrn_reflns_theta_min         1.750
_diffrn_ambient_temperature      296.15
_diffrn_detector_area_resol_mean ?
_diffrn_measured_fraction_theta_full 1.000
_diffrn_measured_fraction_theta_max 0.999
_diffrn_measurement_device_type  'Bruken APEX-II CCD'
_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                6346
_reflns_number_total             7273
_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    'SIR2004 (Burla et al., 2007)'
_refine_diff_density_max         1.304
_refine_diff_density_min         -1.019
_refine_diff_density_rms         0.111
_refine_ls_extinction_coef       .
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.070
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     495
_refine_ls_number_reflns         7273
_refine_ls_number_restraints     0
_refine_ls_R_factor_all          0.0385
_refine_ls_R_factor_gt           0.0318
_refine_ls_restrained_S_all      1.070
_refine_ls_shift/su_max          0.002
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details     
'w=1/[σ²(Fo²)+(0.0385P)²+6.6582P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0817
_refine_ls_wR_factor_ref         0.0848
_refine_special_details          
;
 ?
;
_olex2_refinement_description    
;
1. Fixed Uiso
 At 1.2 times of:
  All C(H) groups
 At 1.5 times of:
  All C(H,H,H) groups, All O(H,H) groups
2. Uiso/Uaniso restraints and constraints
Uanis(N1) = Uanis(N1')
Uanis(C26) = Uanis(C26')
Uanis(C27) = Uanis(C27')
3. Others
 Sof(N1')=Sof(C26')=Sof(C27')=1-FVAR(1)
 Sof(N1)=Sof(C26)=Sof(C27)=FVAR(1)
4.a Free rotating group:
 O6W(H6WA,H6WB)
4.b Rotating group:
 O4W(H4WA,H4WB), O5W(H5WA,H5WB)
4.c Aromatic/amide H refined with riding coordinates:
 C3(H3), C5(H5), C7(H7), C11(H11), C13(H13), C15(H15), C19(H19), C21(H21),
 C23(H23)
4.d Idealised Me refined as rotating group:
 C1(H1A,H1B,H1C), C29(H29A,H29B,H29C)
;
_atom_sites_solution_hydrogens   mixed
_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
Cd1 Cd 0.02664(3) 0.07005(2) 0.38025(2) 0.01857(8) Uani 1 1 d . . . . .
Cd2 Cd 1.26989(3) -0.11729(2) 0.80240(2) 0.02345(9) Uani 1 1 d . . . . .
Cd3 Cd 1.22885(3) 0.18832(2) 1.15920(2) 0.02475(9) Uani 1 1 d . . . . .
Si1 Si 0.65068(9) 0.04853(3) 0.81434(8) 0.0135(2) Uani 1 1 d . . . . .
N1 N 0.372(2) 0.6825(8) 0.786(2) 0.068(5) Uani 0.527(17) 1 d . . P . .
N1' N 0.312(3) 0.6741(9) 0.767(2) 0.068(5) Uani 0.473(17) 1 d . . P . .
O1 O 0.6731(4) 0.23202(11) 0.6827(3) 0.0467(10) Uani 1 1 d . . . . .
O2 O 0.6235(4) 0.28386(11) 0.7929(3) 0.0423(9) Uani 1 1 d . . . . .
O3 O 0.3903(3) 0.20450(10) 1.0746(2) 0.0298(7) Uani 1 1 d . . . . .
O4 O 0.5237(3) 0.14437(11) 1.1488(2) 0.0266(6) Uani 1 1 d . . . . .
O5 O 1.0499(3) 0.15710(10) 1.0450(2) 0.0282(7) Uani 1 1 d . . . . .
O6 O 1.2249(3) 0.11033(12) 1.0769(3) 0.0472(10) Uani 1 1 d . . . . .
O7 O 1.2390(3) -0.04568(10) 0.8882(2) 0.0254(6) Uani 1 1 d . . . . .
O8 O 1.0587(3) -0.07554(9) 0.7887(2) 0.0190(6) Uani 1 1 d . . . . .
O9 O 0.8734(3) 0.07113(10) 0.4776(2) 0.0274(7) Uani 1 1 d . . . . .
O10 O 0.7121(3) 0.07120(12) 0.3363(2) 0.0341(7) Uani 1 1 d . . . . .
O11 O 0.2499(3) 0.07545(11) 0.3719(2) 0.0276(7) Uani 1 1 d . . . . .
O12 O 0.2022(3) 0.04967(11) 0.5167(2) 0.0270(6) Uani 1 1 d . . . . .
O13 O 0.2400(6) 0.74610(15) 0.8016(4) 0.0928(19) Uani 1 1 d . . . . .
O1W O 1.3741(3) 0.15343(12) 1.2950(3) 0.0381(8) Uani 1 1 d . . . . .
O2W O 0.0240(4) 0.15247(12) 0.4083(3) 0.0456(9) Uani 1 1 d . . . . .
O3W O -0.0244(3) -0.01365(10) 0.3698(2) 0.0281(7) Uani 1 1 d . . . . .
O4W O 1.2388(4) -0.17894(13) 0.6738(3) 0.0500(10) Uani 1 1 d . . . . .
H4WA H 1.2279 -0.2076 0.7006 0.075 Uiso 1 1 d GR . . . .
H4WB H 1.3073 -0.1807 0.6455 0.075 Uiso 1 1 d GR . . . .
O5W O 1.1808(3) -0.17207(12) 0.8941(3) 0.0411(8) Uani 1 1 d . . . . .
H5WA H 1.1792 -0.2015 0.8665 0.062 Uiso 1 1 d GR . . . .
H5WB H 1.0997 -0.1639 0.8956 0.062 Uiso 1 1 d GR . . . .
O6W O 0.6077(7) 0.1893(3) 0.4679(7) 0.122(2) Uani 1 1 d . . . . .
H6WA H 0.5909 0.2099 0.5118 0.182 Uiso 1 1 d G . . . .
H6WB H 0.5372 0.1748 0.4384 0.182 Uiso 1 1 d G . . . .
C1 C 0.5671(4) -0.00292(15) 0.8665(3) 0.0270(9) Uani 1 1 d . . . . .
H1A H 0.5826 -0.0004 0.9409 0.041 Uiso 1 1 calc GR . . . .
H1B H 0.6014 -0.0336 0.8479 0.041 Uiso 1 1 calc GR . . . .
H1C H 0.4743 -0.0014 0.8378 0.041 Uiso 1 1 calc GR . . . .
C2 C 0.6007(4) 0.11004(13) 0.8553(3) 0.0177(8) Uani 1 1 d . . . . .
C3 C 0.6229(4) 0.15127(14) 0.7976(3) 0.0221(8) Uani 1 1 d . . . . .
H3 H 0.6556 0.1466 0.7379 0.027 Uiso 1 1 calc R . . . .
C4 C 0.5977(4) 0.19876(14) 0.8264(3) 0.0233(9) Uani 1 1 d . . . . .
C5 C 0.5457(4) 0.20595(14) 0.9144(3) 0.0236(9) Uani 1 1 d . . . . .
H5 H 0.5252 0.2374 0.9331 0.028 Uiso 1 1 calc R . . . .
C6 C 0.5245(4) 0.16583(14) 0.9741(3) 0.0207(8) Uani 1 1 d . . . . .
C7 C 0.5531(4) 0.11871(13) 0.9445(3) 0.0190(8) Uani 1 1 d . . . . .
H7 H 0.5399 0.0922 0.9857 0.023 Uiso 1 1 calc R . . . .
C8 C 0.4769(4) 0.17231(14) 1.0731(3) 0.0209(8) Uani 1 1 d . . . . .
C9 C 0.6317(4) 0.24054(15) 0.7633(3) 0.0265(9) Uani 1 1 d . . . . .
C10 C 0.8347(3) 0.04512(13) 0.8583(3) 0.0157(7) Uani 1 1 d . . . . .
C11 C 0.9046(4) 0.08272(13) 0.9190(3) 0.0174(8) Uani 1 1 d . . . . .
H11 H 0.8597 0.1105 0.9332 0.021 Uiso 1 1 calc R . . . .
C12 C 1.0390(4) 0.07936(13) 0.9583(3) 0.0176(8) Uani 1 1 d . . . . .
C13 C 1.1083(4) 0.03902(14) 0.9346(3) 0.0188(8) Uani 1 1 d . . . . .
H13 H 1.1987 0.0370 0.9601 0.023 Uiso 1 1 calc R . . . .
C14 C 1.0426(4) 0.00161(13) 0.8730(3) 0.0163(7) Uani 1 1 d . . . . .
C15 C 0.9066(4) 0.00445(13) 0.8362(3) 0.0163(7) Uani 1 1 d . . . . .
H15 H 0.8628 -0.0211 0.7964 0.020 Uiso 1 1 calc R . . . .
C16 C 1.1095(4) 0.11780(14) 1.0305(3) 0.0235(9) Uani 1 1 d . . . . .
C17 C 1.1187(4) -0.04177(13) 0.8485(3) 0.0171(8) Uani 1 1 d . . . . .
C18 C 0.6032(3) 0.05079(12) 0.6690(3) 0.0139(7) Uani 1 1 d . . . . .
C19 C 0.6944(4) 0.05741(13) 0.6062(3) 0.0166(7) Uani 1 1 d . . . . .
H19 H 0.7837 0.0579 0.6367 0.020 Uiso 1 1 calc R . . . .
C20 C 0.6551(4) 0.06324(13) 0.4996(3) 0.0166(8) Uani 1 1 d . . . . .
C21 C 0.5218(4) 0.06346(13) 0.4532(3) 0.0169(8) Uani 1 1 d . . . . .
H21 H 0.4949 0.0670 0.3815 0.020 Uiso 1 1 calc R . . . .
C22 C 0.4293(3) 0.05846(13) 0.5139(3) 0.0155(7) Uani 1 1 d . . . . .
C23 C 0.4695(4) 0.05117(13) 0.6204(3) 0.0176(8) Uani 1 1 d . . . . .
H23 H 0.4067 0.0465 0.6601 0.021 Uiso 1 1 calc R . . . .
C24 C 0.7531(4) 0.06909(13) 0.4318(3) 0.0196(8) Uani 1 1 d . . . . .
C25 C 0.2854(4) 0.06106(13) 0.4647(3) 0.0181(8) Uani 1 1 d . . . . .
C26 C 0.443(3) 0.7102(9) 0.719(2) 0.096(7) Uani 0.527(17) 1 d . . P . .
C26' C 0.371(3) 0.6992(10) 0.682(2) 0.096(7) Uani 0.473(17) 1 d . . P . .
C27 C 0.416(3) 0.6305(9) 0.810(2) 0.110(9) Uani 0.527(17) 1 d . . P . .
C27' C 0.327(3) 0.6214(10) 0.777(3) 0.110(9) Uani 0.473(17) 1 d . . P . .
C28 C 0.2650(7) 0.7029(2) 0.8219(5) 0.0654(18) Uani 1 1 d . . . . .
C29 C 0.1996(8) 0.6782(3) 0.8978(6) 0.083(2) Uani 1 1 d . . . . .
H29A H 0.1528 0.7021 0.9294 0.125 Uiso 1 1 calc GR . . . .
H29B H 0.2648 0.6625 0.9505 0.125 Uiso 1 1 calc GR . . . .
H29C H 0.1390 0.6540 0.8625 0.125 Uiso 1 1 calc GR . . . .


_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
Cd1 O8 2.217(3) 3_656 ?
Cd1 O9 2.251(3) 1_455 ?
Cd1 O11 2.354(3) . ?
Cd1 O12 2.339(3) . ?
Cd1 O2W 2.277(3) . ?
Cd1 O3W 2.339(3) . ?
Cd1 C25 2.695(4) . ?
Cd2 O4 2.231(3) 3_757 ?
Cd2 O7 2.312(3) . ?
Cd2 O8 2.447(3) . ?
Cd2 O10 2.258(3) 3_756 ?
Cd2 O4W 2.358(3) . ?
Cd2 O5W 2.242(3) . ?
Cd2 C17 2.736(4) . ?
Cd3 O1 2.285(3) 4_666 ?
Cd3 O2 2.389(3) 4_666 ?
Cd3 O3 2.250(3) 1_655 ?
Cd3 O5 2.291(3) . ?
Cd3 O6 2.382(3) . ?
Cd3 O1W 2.286(3) . ?
Cd3 C9 2.693(4) 4_666 ?
Cd3 C16 2.684(4) . ?
Si1 C1 1.857(4) . ?
Si1 C2 1.868(4) . ?
Si1 C10 1.880(4) . ?
Si1 C18 1.873(4) . ?
N1 C26 1.48(4) . ?
N1 C26' 1.45(4) . ?
N1 C27 1.50(3) . ?
N1 C27' 1.73(3) . ?
N1 C28 1.41(3) . ?
N1' C26 1.90(3) . ?
N1' C26' 1.55(4) . ?
N1' C27 1.63(4) . ?
N1' C27' 1.45(4) . ?
N1' C28 1.24(3) . ?
O1 Cd3 2.285(3) 4_565 ?
O1 C9 1.250(5) . ?
O2 Cd3 2.389(3) 4_565 ?
O2 C9 1.252(5) . ?
O3 Cd3 2.250(3) 1_455 ?
O3 C8 1.261(5) . ?
O4 Cd2 2.231(3) 3_757 ?
O4 C8 1.266(5) . ?
O5 C16 1.272(5) . ?
O6 C16 1.242(5) . ?
O7 C17 1.253(5) . ?
O8 Cd1 2.217(3) 3_656 ?
O8 C17 1.283(5) . ?
O9 Cd1 2.251(3) 1_655 ?
O9 C24 1.269(5) . ?
O10 Cd2 2.257(3) 3_756 ?
O10 C24 1.241(5) . ?
O11 C25 1.260(5) . ?
O12 C25 1.253(4) . ?
O13 C28 1.224(7) . ?
C2 C3 1.403(5) . ?
C2 C7 1.390(5) . ?
C3 C4 1.389(5) . ?
C4 C5 1.394(5) . ?
C4 C9 1.496(5) . ?
C5 C6 1.391(5) . ?
C6 C7 1.392(5) . ?
C6 C8 1.502(5) . ?
C9 Cd3 2.693(4) 4_565 ?
C10 C11 1.403(5) . ?
C10 C15 1.401(5) . ?
C11 C12 1.387(5) . ?
C12 C13 1.386(5) . ?
C12 C16 1.497(5) . ?
C13 C14 1.388(5) . ?
C14 C15 1.397(5) . ?
C14 C17 1.496(5) . ?
C18 C19 1.398(5) . ?
C18 C23 1.401(5) . ?
C19 C20 1.384(5) . ?
C20 C21 1.391(5) . ?
C20 C24 1.501(5) . ?
C21 C22 1.384(5) . ?
C22 C23 1.390(5) . ?
C22 C25 1.500(5) . ?
C26 C26' 0.86(3) . ?
C27 C27' 0.97(4) . ?
C28 C29 1.485(9) . ?

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
O8 Cd1 O9 113.02(10) 3_656 1_455 ?
O8 Cd1 O11 97.80(10) 3_656 . ?
O8 Cd1 O12 150.03(9) 3_656 . ?
O8 Cd1 O2W 94.58(12) 3_656 . ?
O8 Cd1 O3W 88.26(10) 3_656 . ?
O8 Cd1 C25 124.74(10) 3_656 . ?
O9 Cd1 O11 148.51(11) 1_455 . ?
O9 Cd1 O12 95.57(10) 1_455 . ?
O9 Cd1 O2W 81.96(11) 1_455 . ?
O9 Cd1 O3W 82.33(10) 1_455 . ?
O9 Cd1 C25 122.23(11) 1_455 . ?
O11 Cd1 C25 27.88(11) . . ?
O12 Cd1 O11 55.57(9) . . ?
O12 Cd1 O3W 86.78(11) . . ?
O12 Cd1 C25 27.70(10) . . ?
O2W Cd1 O11 89.57(11) . . ?
O2W Cd1 O12 98.30(13) . . ?
O2W Cd1 O3W 163.88(11) . . ?
O2W Cd1 C25 93.94(13) . . ?
O3W Cd1 O11 105.79(10) . . ?
O3W Cd1 C25 97.46(11) . . ?
O4 Cd2 O7 111.39(10) 3_757 . ?
O4 Cd2 O8 165.68(10) 3_757 . ?
O4 Cd2 O10 100.08(11) 3_757 3_756 ?
O4 Cd2 O4W 86.94(12) 3_757 . ?
O4 Cd2 O5W 96.22(11) 3_757 . ?
O4 Cd2 C17 138.46(11) 3_757 . ?
O7 Cd2 O8 55.02(9) . . ?
O7 Cd2 O4W 160.12(12) . . ?
O7 Cd2 C17 27.10(11) . . ?
O8 Cd2 C17 27.96(10) . . ?
O10 Cd2 O7 88.31(11) 3_756 . ?
O10 Cd2 O8 84.89(10) 3_756 . ?
O10 Cd2 O4W 80.62(12) 3_756 . ?
O10 Cd2 C17 85.01(11) 3_756 . ?
O4W Cd2 O8 107.19(11) . . ?
O4W Cd2 C17 134.30(13) . . ?
O5W Cd2 O7 100.46(11) . . ?
O5W Cd2 O8 83.15(10) . . ?
O5W Cd2 O10 157.23(13) . 3_756 ?
O5W Cd2 O4W 84.50(13) . . ?
O5W Cd2 C17 93.27(11) . . ?
O1 Cd3 O2 55.16(10) 4_666 4_666 ?
O1 Cd3 O5 104.31(13) 4_666 . ?
O1 Cd3 O6 158.29(14) 4_666 . ?
O1 Cd3 O1W 115.70(14) 4_666 . ?
O1 Cd3 C9 27.55(11) 4_666 4_666 ?
O1 Cd3 C16 131.99(14) 4_666 . ?
O2 Cd3 C9 27.70(11) 4_666 4_666 ?
O2 Cd3 C16 118.00(12) 4_666 . ?
O3 Cd3 O1 96.85(11) 1_655 4_666 ?
O3 Cd3 O2 144.35(11) 1_655 4_666 ?
O3 Cd3 O5 109.61(11) 1_655 . ?
O3 Cd3 O6 83.74(12) 1_655 . ?
O3 Cd3 O1W 91.73(11) 1_655 . ?
O3 Cd3 C9 120.86(11) 1_655 4_666 ?
O3 Cd3 C16 96.94(12) 1_655 . ?
O5 Cd3 O2 99.48(12) . 4_666 ?
O5 Cd3 O6 55.81(10) . . ?
O5 Cd3 C9 105.08(12) . 4_666 ?
O5 Cd3 C16 28.25(11) . . ?
O6 Cd3 O2 130.76(12) . 4_666 ?
O6 Cd3 C9 154.44(13) . 4_666 ?
O6 Cd3 C16 27.56(12) . . ?
O1W Cd3 O2 83.46(12) . 4_666 ?
O1W Cd3 O5 131.82(11) . . ?
O1W Cd3 O6 85.93(12) . . ?
O1W Cd3 C9 99.13(13) . 4_666 ?
O1W Cd3 C16 109.57(13) . . ?
C16 Cd3 C9 131.55(13) . 4_666 ?
C1 Si1 C2 112.85(18) . . ?
C1 Si1 C10 112.05(18) . . ?
C1 Si1 C18 111.19(18) . . ?
C2 Si1 C10 106.49(17) . . ?
C2 Si1 C18 103.73(16) . . ?
C18 Si1 C10 110.11(16) . . ?
C26 N1 C27' 127(2) . . ?
C26' N1 C26 34.2(15) . . ?
C26' N1 C27 116(2) . . ?
C26' N1 C27' 107(2) . . ?
C26' N1 C28 110(2) . . ?
C27 N1 C26 116(2) . . ?
C27 N1 C27' 33.9(13) . . ?
C28 N1 C26 122(2) . . ?
C28 N1 C27 122(2) . . ?
C28 N1 C27' 100.7(16) . . ?
C26' N1' C26 26.5(14) . . ?
C26' N1' C27 104(2) . . ?
C27 N1' C26 91.3(19) . . ?
C27' N1' C26 118(2) . . ?
C27' N1' C26' 117(3) . . ?
C27' N1' C27 36.0(16) . . ?
C28 N1' C26 105.6(16) . . ?
C28 N1' C26' 114(2) . . ?
C28 N1' C27 125(3) . . ?
C28 N1' C27' 129(3) . . ?
C9 O1 Cd3 94.7(3) . 4_565 ?
C9 O2 Cd3 89.8(2) . 4_565 ?
C8 O3 Cd3 119.0(2) . 1_455 ?
C8 O4 Cd2 127.6(2) . 3_757 ?
C16 O5 Cd3 93.3(2) . . ?
C16 O6 Cd3 89.9(2) . . ?
C17 O7 Cd2 95.7(2) . . ?
Cd1 O8 Cd2 105.40(10) 3_656 . ?
C17 O8 Cd1 127.3(2) . 3_656 ?
C17 O8 Cd2 88.7(2) . . ?
C24 O9 Cd1 118.4(3) . 1_655 ?
C24 O10 Cd2 141.0(3) . 3_756 ?
C25 O11 Cd1 91.3(2) . . ?
C25 O12 Cd1 92.2(2) . . ?
C3 C2 Si1 118.2(3) . . ?
C7 C2 Si1 124.7(3) . . ?
C7 C2 C3 116.9(3) . . ?
C4 C3 C2 122.3(3) . . ?
C3 C4 C5 119.2(4) . . ?
C3 C4 C9 118.4(3) . . ?
C5 C4 C9 122.4(4) . . ?
C6 C5 C4 119.7(4) . . ?
C5 C6 C7 119.9(3) . . ?
C5 C6 C8 121.3(3) . . ?
C7 C6 C8 118.8(3) . . ?
C2 C7 C6 121.9(3) . . ?
O3 C8 O4 124.1(3) . . ?
O3 C8 C6 117.8(4) . . ?
O4 C8 C6 118.1(3) . . ?
O1 C9 Cd3 57.7(2) . 4_565 ?
O1 C9 O2 119.9(4) . . ?
O1 C9 C4 119.8(4) . . ?
O2 C9 Cd3 62.5(2) . 4_565 ?
O2 C9 C4 120.2(4) . . ?
C4 C9 Cd3 171.8(3) . 4_565 ?
C11 C10 Si1 120.6(3) . . ?
C15 C10 Si1 121.9(3) . . ?
C15 C10 C11 117.5(3) . . ?
C12 C11 C10 121.5(3) . . ?
C11 C12 C16 120.6(3) . . ?
C13 C12 C11 120.0(4) . . ?
C13 C12 C16 119.4(3) . . ?
C12 C13 C14 120.0(3) . . ?
C13 C14 C15 119.8(3) . . ?
C13 C14 C17 119.3(3) . . ?
C15 C14 C17 120.9(3) . . ?
C14 C15 C10 121.2(3) . . ?
O5 C16 Cd3 58.5(2) . . ?
O5 C16 C12 119.8(4) . . ?
O6 C16 Cd3 62.6(2) . . ?
O6 C16 O5 121.0(4) . . ?
O6 C16 C12 119.2(4) . . ?
C12 C16 Cd3 178.2(3) . . ?
O7 C17 Cd2 57.20(19) . . ?
O7 C17 O8 120.4(3) . . ?
O7 C17 C14 120.3(3) . . ?
O8 C17 Cd2 63.36(18) . . ?
O8 C17 C14 119.3(3) . . ?
C14 C17 Cd2 176.5(3) . . ?
C19 C18 Si1 123.1(3) . . ?
C19 C18 C23 117.5(3) . . ?
C23 C18 Si1 119.0(3) . . ?
C20 C19 C18 121.6(3) . . ?
C19 C20 C21 119.8(3) . . ?
C19 C20 C24 121.6(3) . . ?
C21 C20 C24 118.6(3) . . ?
C22 C21 C20 119.8(4) . . ?
C21 C22 C23 120.1(3) . . ?
C21 C22 C25 119.9(3) . . ?
C23 C22 C25 120.0(3) . . ?
C22 C23 C18 121.1(3) . . ?
O9 C24 C20 116.7(4) . . ?
O10 C24 O9 124.7(3) . . ?
O10 C24 C20 118.6(4) . . ?
O11 C25 Cd1 60.86(19) . . ?
O11 C25 C22 119.4(3) . . ?
O12 C25 Cd1 60.1(2) . . ?
O12 C25 O11 121.0(3) . . ?
O12 C25 C22 119.6(4) . . ?
C22 C25 Cd1 177.3(3) . . ?
N1 C26 N1' 17.6(15) . . ?
C26' C26 N1 71(3) . . ?
C26' C26 N1' 53(3) . . ?
N1 C26' N1' 25.3(13) . . ?
C26 C26' N1 75(4) . . ?
C26 C26' N1' 100(4) . . ?
N1 C27 N1' 24.1(10) . . ?
C27' C27 N1 86(3) . . ?
C27' C27 N1' 62(3) . . ?
N1' C27' N1 22.0(15) . . ?
C27 C27' N1 60(3) . . ?
C27 C27' N1' 82(3) . . ?
N1 C28 C29 123.6(12) . . ?
N1' C28 N1 28.1(12) . . ?
N1' C28 O13 125.0(16) . . ?
N1' C28 C29 113.7(14) . . ?
O13 C28 N1 116.9(12) . . ?
O13 C28 C29 118.5(6) . . ?

_olex2_submission_special_instructions 'No special instructions were received'
