# Electronic Supplementary Material (ESI) for Chemical Communications.
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#                                CCDC 
# 
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#  This CIF contains data from an original supplementary publication
#  deposited with the CCDC, and may include chemical, crystal,
#  experimental, refinement, atomic coordinates,
#  anisotropic displacement parameters and molecular geometry data,
#  as required by the journal to which it was submitted.
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#  fide research purposes only. It may contain copyright material
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data_1
_audit_creation_date             2013-11-22
_audit_creation_method           'STOE X-RED'

_shelxl_version_number           2013-2



_chemical_name_common            ?
_chemical_name_systematic        
;
 ?
;
_chemical_formula_moiety         'C35 H53 Cl N2 Si Zn'
_chemical_formula_sum            'C35 H53 Cl N2 Si Zn'
_chemical_formula_weight         630.70
_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'
Cl Cl 0.1484 0.1585 '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'
Si Si 0.0817 0.0704 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Zn Zn 0.2839 1.4301 '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                   11.089(2)
_cell_length_b                   17.537(4)
_cell_length_c                   17.947(4)
_cell_angle_alpha                90
_cell_angle_beta                 98.91(3)
_cell_angle_gamma                90
_cell_volume                     3448.0(12)
_cell_formula_units_Z            4
_cell_measurement_reflns_used    15922
_cell_measurement_temperature    150(2)
_cell_measurement_theta_max      29.55
_cell_measurement_theta_min      1.63
_shelx_estimated_absorpt_T_max   ?
_shelx_estimated_absorpt_T_min   ?
_exptl_absorpt_coefficient_mu    0.850
_exptl_absorpt_correction_T_max  0.9426
_exptl_absorpt_correction_T_min  0.8475
_exptl_absorpt_correction_type   integration
_exptl_absorpt_process_details   'STOE X-RED & X-SHAPE'
_exptl_crystal_colour            colourless
_exptl_crystal_density_diffrn    1.215
_exptl_crystal_density_meas      ?
_exptl_crystal_density_method    ?
_exptl_crystal_description       prism
_exptl_crystal_F_000             1352
_exptl_crystal_size_max          0.185
_exptl_crystal_size_mid          0.161
_exptl_crystal_size_min          0.114
_exptl_special_details           
;
 ?
;
_exptl_transmission_factor_max   ?
_exptl_transmission_factor_min   ?
_diffrn_reflns_av_R_equivalents  0.0620
_diffrn_reflns_av_unetI/netI     0.0675
_diffrn_reflns_Laue_measured_fraction_full 0.995
_diffrn_reflns_Laue_measured_fraction_max 0.995
_diffrn_reflns_limit_h_max       10
_diffrn_reflns_limit_h_min       -13
_diffrn_reflns_limit_k_max       21
_diffrn_reflns_limit_k_min       -19
_diffrn_reflns_limit_l_max       21
_diffrn_reflns_limit_l_min       -21
_diffrn_reflns_number            15445
_diffrn_reflns_point_group_measured_fraction_full 0.995
_diffrn_reflns_point_group_measured_fraction_max 0.995
_diffrn_reflns_theta_full        25.242
_diffrn_reflns_theta_max         25.500
_diffrn_reflns_theta_min         1.633
_diffrn_ambient_temperature      150.15
_diffrn_detector_area_resol_mean 6.67
_diffrn_measured_fraction_theta_full 0.995
_diffrn_measured_fraction_theta_max 0.995
_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                   
'sealed X-ray tube, 12 x 0.4 mm long-fine focus'
_reflns_Friedel_coverage         0.000
_reflns_Friedel_fraction_full    .
_reflns_Friedel_fraction_max     .
_reflns_number_gt                4659
_reflns_number_total             6404
_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       'STOE X-AREA'
_computing_data_collection       'STOE X-AREA'
_computing_data_reduction        'STOE X-RED'
_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         0.503
_refine_diff_density_min         -0.949
_refine_diff_density_rms         0.072
_refine_ls_extinction_coef       .
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   0.924
_refine_ls_hydrogen_treatment    mixed
_refine_ls_matrix_type           full
_refine_ls_number_parameters     377
_refine_ls_number_reflns         6404
_refine_ls_number_restraints     0
_refine_ls_R_factor_all          0.0636
_refine_ls_R_factor_gt           0.0428
_refine_ls_restrained_S_all      0.924
_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)+(0.0590P)²]
 where P=(Fo²+2Fc²)/3
;
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0955
_refine_ls_wR_factor_ref         0.1019
_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
2.a Aromatic/amide H refined with riding coordinates:
 C23(H23), C24(H24), C25(H25), C26(H26), C27(H27)
2.b Idealised Me refined as rotating group:
 C6(H6A,H6B,H6C), C7(H7A,H7B,H7C), C8(H8A,H8B,H8C), C9(H9A,H9B,H9C), C10(H10A,
 H10B,H10C), C16(H16A,H16B,H16C), C17(H17A,H17B,H17C), C18(H18A,H18B,H18C),
 C19(H19A,H19B,H19C), C20(H20A,H20B,H20C), C29(H29A,H29B,H29C), C30(H30A,H30B,
 H30C), C31(H31A,H31B,H31C), C33(H33A,H33B,H33C), C34(H34A,H34B,H34C), C35(H35A,
 H35B,H35C)
;
_atom_sites_solution_hydrogens   geom
_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
Zn1 Zn -0.00226(3) 0.47365(2) 0.27616(2) 0.02479(10) Uani 1 1 d . . . . .
Cl1 Cl 0.15335(7) 0.54180(4) 0.34742(4) 0.03224(17) Uani 1 1 d . . . . .
Si1 Si 0.05326(7) 0.34495(4) 0.30488(4) 0.02022(16) Uani 1 1 d . . . . .
N1 N 0.2148(2) 0.33577(12) 0.29464(11) 0.0220(5) Uani 1 1 d . . . . .
N2 N 0.1423(2) 0.34072(12) 0.39875(11) 0.0228(5) Uani 1 1 d . . . . .
C1 C -0.0363(2) 0.25244(15) 0.28069(14) 0.0227(6) Uani 1 1 d . . . . .
C2 C 0.0361(3) 0.18215(15) 0.30821(15) 0.0267(6) Uani 1 1 d . . . . .
C3 C -0.0116(3) 0.15090(15) 0.36561(15) 0.0274(6) Uani 1 1 d . . . . .
C4 C -0.1179(3) 0.19473(16) 0.37901(15) 0.0275(6) Uani 1 1 d . . . . .
C5 C -0.1355(3) 0.25384(15) 0.33011(14) 0.0245(6) Uani 1 1 d . . . . .
C6 C -0.0883(3) 0.25096(17) 0.19570(15) 0.0300(6) Uani 1 1 d . . . . .
H6A H -0.1257 0.3004 0.1807 0.045 Uiso 1 1 calc GR . . . .
H6B H -0.1500 0.2107 0.1858 0.045 Uiso 1 1 calc GR . . . .
H6C H -0.0221 0.2409 0.1666 0.045 Uiso 1 1 calc GR . . . .
C7 C 0.1393(3) 0.15093(17) 0.27228(19) 0.0375(7) Uani 1 1 d . . . . .
H7A H 0.2098 0.1851 0.2827 0.056 Uiso 1 1 calc GR . . . .
H7B H 0.1136 0.1469 0.2177 0.056 Uiso 1 1 calc GR . . . .
H7C H 0.1618 0.1003 0.2931 0.056 Uiso 1 1 calc GR . . . .
C8 C 0.0311(3) 0.08050(17) 0.40987(17) 0.0381(7) Uani 1 1 d . . . . .
H8A H 0.0577 0.0942 0.4628 0.057 Uiso 1 1 calc GR . . . .
H8B H 0.0995 0.0577 0.3892 0.057 Uiso 1 1 calc GR . . . .
H8C H -0.0361 0.0437 0.4065 0.057 Uiso 1 1 calc GR . . . .
C9 C -0.1953(3) 0.17229(19) 0.43714(17) 0.0405(8) Uani 1 1 d . . . . .
H9A H -0.2312 0.1219 0.4247 0.061 Uiso 1 1 calc GR . . . .
H9B H -0.2607 0.2098 0.4376 0.061 Uiso 1 1 calc GR . . . .
H9C H -0.1447 0.1705 0.4870 0.061 Uiso 1 1 calc GR . . . .
C10 C -0.2380(3) 0.31053(16) 0.32016(16) 0.0302(6) Uani 1 1 d . . . . .
H10A H -0.2943 0.2988 0.2739 0.045 Uiso 1 1 calc GR . . . .
H10B H -0.2049 0.3620 0.3166 0.045 Uiso 1 1 calc GR . . . .
H10C H -0.2818 0.3078 0.3635 0.045 Uiso 1 1 calc GR . . . .
C11 C -0.0737(3) 0.53184(16) 0.16632(14) 0.0277(6) Uani 1 1 d . . . . .
C12 C -0.1404(3) 0.47179(16) 0.12661(14) 0.0267(6) Uani 1 1 d . . . . .
C13 C -0.2427(3) 0.45556(15) 0.16141(14) 0.0255(6) Uani 1 1 d . . . . .
C14 C -0.2419(3) 0.50462(15) 0.22390(14) 0.0245(6) Uani 1 1 d . . . . .
C15 C -0.1373(3) 0.55277(15) 0.22841(14) 0.0237(6) Uani 1 1 d . . . . .
C16 C 0.0258(3) 0.57860(18) 0.13987(17) 0.0375(7) Uani 1 1 d . . . . .
H16A H 0.0776 0.6010 0.1836 0.056 Uiso 1 1 calc GR . . . .
H16B H -0.0110 0.6193 0.1065 0.056 Uiso 1 1 calc GR . . . .
H16C H 0.0753 0.5458 0.1124 0.056 Uiso 1 1 calc GR . . . .
C17 C -0.1094(3) 0.4325(2) 0.05722(16) 0.0398(8) Uani 1 1 d . . . . .
H17A H -0.1139 0.3771 0.0637 0.060 Uiso 1 1 calc GR . . . .
H17B H -0.0266 0.4466 0.0498 0.060 Uiso 1 1 calc GR . . . .
H17C H -0.1676 0.4481 0.0131 0.060 Uiso 1 1 calc GR . . . .
C18 C -0.3403(3) 0.39763(17) 0.13508(16) 0.0329(7) Uani 1 1 d . . . . .
H18A H -0.3870 0.4141 0.0869 0.049 Uiso 1 1 calc GR . . . .
H18B H -0.3952 0.3929 0.1727 0.049 Uiso 1 1 calc GR . . . .
H18C H -0.3023 0.3481 0.1285 0.049 Uiso 1 1 calc GR . . . .
C19 C -0.3377(3) 0.50917(17) 0.27426(15) 0.0311(6) Uani 1 1 d . . . . .
H19A H -0.4037 0.5429 0.2515 0.047 Uiso 1 1 calc GR . . . .
H19B H -0.3015 0.5294 0.3235 0.047 Uiso 1 1 calc GR . . . .
H19C H -0.3706 0.4581 0.2807 0.047 Uiso 1 1 calc GR . . . .
C20 C -0.1226(3) 0.62888(15) 0.26872(16) 0.0317(7) Uani 1 1 d . . . . .
H20A H -0.1684 0.6284 0.3113 0.048 Uiso 1 1 calc GR . . . .
H20B H -0.1539 0.6696 0.2336 0.048 Uiso 1 1 calc GR . . . .
H20C H -0.0360 0.6379 0.2874 0.048 Uiso 1 1 calc GR . . . .
C21 C 0.2469(3) 0.34135(14) 0.37002(14) 0.0225(6) Uani 1 1 d . . . . .
C22 C 0.3717(3) 0.34483(16) 0.41348(15) 0.0267(6) Uani 1 1 d . . . . .
C23 C 0.4384(3) 0.41201(17) 0.42114(16) 0.0327(7) Uani 1 1 d . . . . .
H23 H 0.4060 0.4573 0.3968 0.039 Uiso 1 1 calc R . . . .
C24 C 0.5544(3) 0.4121(2) 0.46538(18) 0.0422(8) Uani 1 1 d . . . . .
H24 H 0.6014 0.4577 0.4704 0.051 Uiso 1 1 calc R . . . .
C25 C 0.6008(3) 0.3465(2) 0.50163(18) 0.0452(9) Uani 1 1 d . . . . .
H25 H 0.6789 0.3473 0.5322 0.054 Uiso 1 1 calc R . . . .
C26 C 0.5342(3) 0.2801(2) 0.49359(16) 0.0402(8) Uani 1 1 d . . . . .
H26 H 0.5667 0.2351 0.5184 0.048 Uiso 1 1 calc R . . . .
C27 C 0.4196(3) 0.27838(18) 0.44939(15) 0.0313(7) Uani 1 1 d . . . . .
H27 H 0.3741 0.2323 0.4437 0.038 Uiso 1 1 calc R . . . .
C28 C 0.2891(3) 0.34491(16) 0.23286(15) 0.0267(6) Uani 1 1 d . . . . .
C29 C 0.3252(3) 0.42861(18) 0.22550(18) 0.0367(7) Uani 1 1 d . . . . .
H29A H 0.2518 0.4605 0.2191 0.055 Uiso 1 1 calc GR . . . .
H29B H 0.3670 0.4346 0.1816 0.055 Uiso 1 1 calc GR . . . .
H29C H 0.3800 0.4443 0.2711 0.055 Uiso 1 1 calc GR . . . .
C30 C 0.4029(3) 0.29502(19) 0.24573(18) 0.0376(7) Uani 1 1 d . . . . .
H30A H 0.4583 0.3135 0.2900 0.056 Uiso 1 1 calc GR . . . .
H30B H 0.4442 0.2973 0.2013 0.056 Uiso 1 1 calc GR . . . .
H30C H 0.3795 0.2422 0.2542 0.056 Uiso 1 1 calc GR . . . .
C31 C 0.2075(3) 0.3209(2) 0.16017(15) 0.0376(7) Uani 1 1 d . . . . .
H31A H 0.1876 0.2666 0.1629 0.056 Uiso 1 1 calc GR . . . .
H31B H 0.2503 0.3298 0.1171 0.056 Uiso 1 1 calc GR . . . .
H31C H 0.1320 0.3509 0.1539 0.056 Uiso 1 1 calc GR . . . .
C32 C 0.1197(3) 0.35382(15) 0.47830(14) 0.0255(6) Uani 1 1 d . . . . .
C33 C 0.2054(3) 0.41344(17) 0.51917(15) 0.0334(7) Uani 1 1 d . . . . .
H33A H 0.2874 0.3917 0.5321 0.050 Uiso 1 1 calc GR . . . .
H33B H 0.1754 0.4293 0.5654 0.050 Uiso 1 1 calc GR . . . .
H33C H 0.2087 0.4578 0.4863 0.050 Uiso 1 1 calc GR . . . .
C34 C -0.0106(3) 0.38347(19) 0.47229(16) 0.0355(7) Uani 1 1 d . . . . .
H34A H -0.0173 0.4325 0.4458 0.053 Uiso 1 1 calc GR . . . .
H34B H -0.0315 0.3902 0.5230 0.053 Uiso 1 1 calc GR . . . .
H34C H -0.0669 0.3468 0.4442 0.053 Uiso 1 1 calc GR . . . .
C35 C 0.1313(3) 0.27776(17) 0.52062(16) 0.0351(7) Uani 1 1 d . . . . .
H35A H 0.0766 0.2402 0.4926 0.053 Uiso 1 1 calc GR . . . .
H35B H 0.1091 0.2848 0.5709 0.053 Uiso 1 1 calc GR . . . .
H35C H 0.2157 0.2596 0.5254 0.053 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
Zn1 Cl1 2.3148(9) . ?
Zn1 Si1 2.3750(9) . ?
Zn1 C11 2.252(3) . ?
Zn1 C15 2.122(3) . ?
Si1 N1 1.835(2) . ?
Si1 N2 1.818(2) . ?
Si1 C1 1.917(3) . ?
N1 C21 1.348(3) . ?
N1 C28 1.489(3) . ?
N2 C21 1.340(4) . ?
N2 C32 1.505(3) . ?
C1 C2 1.512(4) . ?
C1 C5 1.516(4) . ?
C1 C6 1.545(4) . ?
C2 C3 1.346(4) . ?
C2 C7 1.501(4) . ?
C3 C4 1.458(4) . ?
C3 C8 1.504(4) . ?
C4 C5 1.353(4) . ?
C4 C9 1.503(4) . ?
C5 C10 1.500(4) . ?
C6 H6A 0.9800 . ?
C6 H6B 0.9800 . ?
C6 H6C 0.9800 . ?
C7 H7A 0.9800 . ?
C7 H7B 0.9800 . ?
C7 H7C 0.9800 . ?
C8 H8A 0.9800 . ?
C8 H8B 0.9800 . ?
C8 H8C 0.9800 . ?
C9 H9A 0.9800 . ?
C9 H9B 0.9800 . ?
C9 H9C 0.9800 . ?
C10 H10A 0.9800 . ?
C10 H10B 0.9800 . ?
C10 H10C 0.9800 . ?
C11 C12 1.415(4) . ?
C11 C15 1.455(4) . ?
C11 C16 1.509(4) . ?
C12 C13 1.406(4) . ?
C12 C17 1.509(4) . ?
C13 C14 1.412(4) . ?
C13 C18 1.506(4) . ?
C14 C15 1.427(4) . ?
C14 C19 1.500(4) . ?
C15 C20 1.515(4) . ?
C16 H16A 0.9800 . ?
C16 H16B 0.9800 . ?
C16 H16C 0.9800 . ?
C17 H17A 0.9800 . ?
C17 H17B 0.9800 . ?
C17 H17C 0.9800 . ?
C18 H18A 0.9800 . ?
C18 H18B 0.9800 . ?
C18 H18C 0.9800 . ?
C19 H19A 0.9800 . ?
C19 H19B 0.9800 . ?
C19 H19C 0.9800 . ?
C20 H20A 0.9800 . ?
C20 H20B 0.9800 . ?
C20 H20C 0.9800 . ?
C21 C22 1.481(4) . ?
C22 C23 1.386(4) . ?
C22 C27 1.396(4) . ?
C23 H23 0.9500 . ?
C23 C24 1.403(5) . ?
C24 H24 0.9500 . ?
C24 C25 1.381(5) . ?
C25 H25 0.9500 . ?
C25 C26 1.375(5) . ?
C26 H26 0.9500 . ?
C26 C27 1.390(4) . ?
C27 H27 0.9500 . ?
C28 C29 1.533(4) . ?
C28 C30 1.524(4) . ?
C28 C31 1.527(4) . ?
C29 H29A 0.9800 . ?
C29 H29B 0.9800 . ?
C29 H29C 0.9800 . ?
C30 H30A 0.9800 . ?
C30 H30B 0.9800 . ?
C30 H30C 0.9800 . ?
C31 H31A 0.9800 . ?
C31 H31B 0.9800 . ?
C31 H31C 0.9800 . ?
C32 C33 1.523(4) . ?
C32 C34 1.524(4) . ?
C32 C35 1.530(4) . ?
C33 H33A 0.9800 . ?
C33 H33B 0.9800 . ?
C33 H33C 0.9800 . ?
C34 H34A 0.9800 . ?
C34 H34B 0.9800 . ?
C34 H34C 0.9800 . ?
C35 H35A 0.9800 . ?
C35 H35B 0.9800 . ?
C35 H35C 0.9800 . ?

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
Cl1 Zn1 Si1 102.99(3) . . ?
C11 Zn1 Cl1 112.37(8) . . ?
C11 Zn1 Si1 131.67(8) . . ?
C15 Zn1 Cl1 107.73(8) . . ?
C15 Zn1 Si1 148.42(8) . . ?
C15 Zn1 C11 38.72(10) . . ?
N1 Si1 Zn1 106.61(8) . . ?
N1 Si1 C1 112.49(11) . . ?
N2 Si1 Zn1 108.99(7) . . ?
N2 Si1 N1 71.99(10) . . ?
N2 Si1 C1 111.31(11) . . ?
C1 Si1 Zn1 130.35(9) . . ?
C21 N1 Si1 90.21(17) . . ?
C21 N1 C28 130.4(2) . . ?
C28 N1 Si1 136.58(18) . . ?
C21 N2 Si1 91.23(16) . . ?
C21 N2 C32 130.1(2) . . ?
C32 N2 Si1 136.61(19) . . ?
C2 C1 Si1 112.70(19) . . ?
C2 C1 C5 102.6(2) . . ?
C2 C1 C6 114.0(2) . . ?
C5 C1 Si1 104.55(17) . . ?
C5 C1 C6 112.6(2) . . ?
C6 C1 Si1 109.80(18) . . ?
C3 C2 C1 109.3(2) . . ?
C3 C2 C7 126.6(3) . . ?
C7 C2 C1 124.0(2) . . ?
C2 C3 C4 109.6(2) . . ?
C2 C3 C8 127.6(3) . . ?
C4 C3 C8 122.8(3) . . ?
C3 C4 C9 122.7(3) . . ?
C5 C4 C3 109.6(2) . . ?
C5 C4 C9 127.6(3) . . ?
C4 C5 C1 108.8(2) . . ?
C4 C5 C10 128.0(3) . . ?
C10 C5 C1 123.1(2) . . ?
C1 C6 H6A 109.5 . . ?
C1 C6 H6B 109.5 . . ?
C1 C6 H6C 109.5 . . ?
H6A C6 H6B 109.5 . . ?
H6A C6 H6C 109.5 . . ?
H6B C6 H6C 109.5 . . ?
C2 C7 H7A 109.5 . . ?
C2 C7 H7B 109.5 . . ?
C2 C7 H7C 109.5 . . ?
H7A C7 H7B 109.5 . . ?
H7A C7 H7C 109.5 . . ?
H7B C7 H7C 109.5 . . ?
C3 C8 H8A 109.5 . . ?
C3 C8 H8B 109.5 . . ?
C3 C8 H8C 109.5 . . ?
H8A C8 H8B 109.5 . . ?
H8A C8 H8C 109.5 . . ?
H8B C8 H8C 109.5 . . ?
C4 C9 H9A 109.5 . . ?
C4 C9 H9B 109.5 . . ?
C4 C9 H9C 109.5 . . ?
H9A C9 H9B 109.5 . . ?
H9A C9 H9C 109.5 . . ?
H9B C9 H9C 109.5 . . ?
C5 C10 H10A 109.5 . . ?
C5 C10 H10B 109.5 . . ?
C5 C10 H10C 109.5 . . ?
H10A C10 H10B 109.5 . . ?
H10A C10 H10C 109.5 . . ?
H10B C10 H10C 109.5 . . ?
C12 C11 Zn1 100.90(17) . . ?
C12 C11 C15 107.2(2) . . ?
C12 C11 C16 126.7(2) . . ?
C15 C11 Zn1 65.82(14) . . ?
C15 C11 C16 124.7(3) . . ?
C16 C11 Zn1 110.3(2) . . ?
C11 C12 C17 126.0(3) . . ?
C13 C12 C11 108.8(2) . . ?
C13 C12 C17 125.2(3) . . ?
C12 C13 C14 108.8(2) . . ?
C12 C13 C18 125.9(2) . . ?
C14 C13 C18 125.2(3) . . ?
C13 C14 C15 108.1(2) . . ?
C13 C14 C19 126.3(3) . . ?
C15 C14 C19 125.4(2) . . ?
C11 C15 Zn1 75.46(16) . . ?
C11 C15 C20 124.0(3) . . ?
C14 C15 Zn1 98.77(17) . . ?
C14 C15 C11 107.1(2) . . ?
C14 C15 C20 125.1(3) . . ?
C20 C15 Zn1 111.47(18) . . ?
C11 C16 H16A 109.5 . . ?
C11 C16 H16B 109.5 . . ?
C11 C16 H16C 109.5 . . ?
H16A C16 H16B 109.5 . . ?
H16A C16 H16C 109.5 . . ?
H16B C16 H16C 109.5 . . ?
C12 C17 H17A 109.5 . . ?
C12 C17 H17B 109.5 . . ?
C12 C17 H17C 109.5 . . ?
H17A C17 H17B 109.5 . . ?
H17A C17 H17C 109.5 . . ?
H17B C17 H17C 109.5 . . ?
C13 C18 H18A 109.5 . . ?
C13 C18 H18B 109.5 . . ?
C13 C18 H18C 109.5 . . ?
H18A C18 H18B 109.5 . . ?
H18A C18 H18C 109.5 . . ?
H18B C18 H18C 109.5 . . ?
C14 C19 H19A 109.5 . . ?
C14 C19 H19B 109.5 . . ?
C14 C19 H19C 109.5 . . ?
H19A C19 H19B 109.5 . . ?
H19A C19 H19C 109.5 . . ?
H19B C19 H19C 109.5 . . ?
C15 C20 H20A 109.5 . . ?
C15 C20 H20B 109.5 . . ?
C15 C20 H20C 109.5 . . ?
H20A C20 H20B 109.5 . . ?
H20A C20 H20C 109.5 . . ?
H20B C20 H20C 109.5 . . ?
N1 C21 C22 127.7(2) . . ?
N2 C21 N1 106.0(2) . . ?
N2 C21 C22 126.3(2) . . ?
C23 C22 C21 121.9(3) . . ?
C23 C22 C27 120.3(3) . . ?
C27 C22 C21 117.8(3) . . ?
C22 C23 H23 120.5 . . ?
C22 C23 C24 119.1(3) . . ?
C24 C23 H23 120.5 . . ?
C23 C24 H24 119.8 . . ?
C25 C24 C23 120.5(3) . . ?
C25 C24 H24 119.8 . . ?
C24 C25 H25 120.0 . . ?
C26 C25 C24 120.1(3) . . ?
C26 C25 H25 120.0 . . ?
C25 C26 H26 119.8 . . ?
C25 C26 C27 120.5(3) . . ?
C27 C26 H26 119.8 . . ?
C22 C27 H27 120.2 . . ?
C26 C27 C22 119.6(3) . . ?
C26 C27 H27 120.2 . . ?
N1 C28 C29 110.4(2) . . ?
N1 C28 C30 111.5(2) . . ?
N1 C28 C31 106.4(2) . . ?
C30 C28 C29 110.0(3) . . ?
C30 C28 C31 109.8(2) . . ?
C31 C28 C29 108.6(2) . . ?
C28 C29 H29A 109.5 . . ?
C28 C29 H29B 109.5 . . ?
C28 C29 H29C 109.5 . . ?
H29A C29 H29B 109.5 . . ?
H29A C29 H29C 109.5 . . ?
H29B C29 H29C 109.5 . . ?
C28 C30 H30A 109.5 . . ?
C28 C30 H30B 109.5 . . ?
C28 C30 H30C 109.5 . . ?
H30A C30 H30B 109.5 . . ?
H30A C30 H30C 109.5 . . ?
H30B C30 H30C 109.5 . . ?
C28 C31 H31A 109.5 . . ?
C28 C31 H31B 109.5 . . ?
C28 C31 H31C 109.5 . . ?
H31A C31 H31B 109.5 . . ?
H31A C31 H31C 109.5 . . ?
H31B C31 H31C 109.5 . . ?
N2 C32 C33 112.2(2) . . ?
N2 C32 C34 106.3(2) . . ?
N2 C32 C35 108.9(2) . . ?
C33 C32 C34 108.3(2) . . ?
C33 C32 C35 111.2(2) . . ?
C34 C32 C35 109.8(3) . . ?
C32 C33 H33A 109.5 . . ?
C32 C33 H33B 109.5 . . ?
C32 C33 H33C 109.5 . . ?
H33A C33 H33B 109.5 . . ?
H33A C33 H33C 109.5 . . ?
H33B C33 H33C 109.5 . . ?
C32 C34 H34A 109.5 . . ?
C32 C34 H34B 109.5 . . ?
C32 C34 H34C 109.5 . . ?
H34A C34 H34B 109.5 . . ?
H34A C34 H34C 109.5 . . ?
H34B C34 H34C 109.5 . . ?
C32 C35 H35A 109.5 . . ?
C32 C35 H35B 109.5 . . ?
C32 C35 H35C 109.5 . . ?
H35A C35 H35B 109.5 . . ?
H35A C35 H35C 109.5 . . ?
H35B C35 H35C 109.5 . . ?

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
Zn1 Si1 N1 C21 100.05(14) . . . . ?
Zn1 Si1 N1 C28 -61.3(3) . . . . ?
Zn1 Si1 N2 C21 -96.83(14) . . . . ?
Zn1 Si1 N2 C32 67.2(3) . . . . ?
Zn1 C11 C12 C13 68.4(2) . . . . ?
Zn1 C11 C12 C17 -113.0(3) . . . . ?
Zn1 C11 C15 C14 -94.89(19) . . . . ?
Zn1 C11 C15 C20 106.3(3) . . . . ?
Si1 N1 C21 N2 6.75(19) . . . . ?
Si1 N1 C21 C22 -175.2(2) . . . . ?
Si1 N1 C28 C29 84.9(3) . . . . ?
Si1 N1 C28 C30 -152.5(2) . . . . ?
Si1 N1 C28 C31 -32.8(4) . . . . ?
Si1 N2 C21 N1 -6.81(19) . . . . ?
Si1 N2 C21 C22 175.1(2) . . . . ?
Si1 N2 C32 C33 -123.7(3) . . . . ?
Si1 N2 C32 C34 -5.4(3) . . . . ?
Si1 N2 C32 C35 112.8(3) . . . . ?
Si1 C1 C2 C3 109.8(2) . . . . ?
Si1 C1 C2 C7 -73.9(3) . . . . ?
Si1 C1 C5 C4 -116.1(2) . . . . ?
Si1 C1 C5 C10 67.2(3) . . . . ?
N1 Si1 N2 C21 5.05(14) . . . . ?
N1 Si1 N2 C32 169.1(3) . . . . ?
N1 C21 C22 C23 80.8(4) . . . . ?
N1 C21 C22 C27 -101.5(3) . . . . ?
N2 Si1 N1 C21 -5.02(14) . . . . ?
N2 Si1 N1 C28 -166.3(3) . . . . ?
N2 C21 C22 C23 -101.5(3) . . . . ?
N2 C21 C22 C27 76.2(3) . . . . ?
C1 Si1 N1 C21 -111.23(16) . . . . ?
C1 Si1 N1 C28 87.5(3) . . . . ?
C1 Si1 N2 C21 112.80(16) . . . . ?
C1 Si1 N2 C32 -83.1(3) . . . . ?
C1 C2 C3 C4 1.7(3) . . . . ?
C1 C2 C3 C8 179.9(3) . . . . ?
C2 C1 C5 C4 1.7(3) . . . . ?
C2 C1 C5 C10 -175.0(2) . . . . ?
C2 C3 C4 C5 -0.5(3) . . . . ?
C2 C3 C4 C9 177.0(3) . . . . ?
C3 C4 C5 C1 -0.8(3) . . . . ?
C3 C4 C5 C10 175.7(3) . . . . ?
C5 C1 C2 C3 -2.1(3) . . . . ?
C5 C1 C2 C7 174.2(3) . . . . ?
C6 C1 C2 C3 -124.1(3) . . . . ?
C6 C1 C2 C7 52.1(4) . . . . ?
C6 C1 C5 C4 124.7(2) . . . . ?
C6 C1 C5 C10 -52.0(3) . . . . ?
C7 C2 C3 C4 -174.5(3) . . . . ?
C7 C2 C3 C8 3.8(5) . . . . ?
C8 C3 C4 C5 -178.9(3) . . . . ?
C8 C3 C4 C9 -1.3(4) . . . . ?
C9 C4 C5 C1 -178.2(3) . . . . ?
C9 C4 C5 C10 -1.7(5) . . . . ?
C11 C12 C13 C14 -0.4(3) . . . . ?
C11 C12 C13 C18 177.4(3) . . . . ?
C12 C11 C15 Zn1 94.5(2) . . . . ?
C12 C11 C15 C14 -0.4(3) . . . . ?
C12 C11 C15 C20 -159.2(3) . . . . ?
C12 C13 C14 C15 0.2(3) . . . . ?
C12 C13 C14 C19 176.7(3) . . . . ?
C13 C14 C15 Zn1 -77.2(2) . . . . ?
C13 C14 C15 C11 0.2(3) . . . . ?
C13 C14 C15 C20 158.6(3) . . . . ?
C15 C11 C12 C13 0.5(3) . . . . ?
C15 C11 C12 C17 179.2(3) . . . . ?
C16 C11 C12 C13 -166.0(3) . . . . ?
C16 C11 C12 C17 12.7(5) . . . . ?
C16 C11 C15 Zn1 -98.7(3) . . . . ?
C16 C11 C15 C14 166.4(3) . . . . ?
C16 C11 C15 C20 7.6(4) . . . . ?
C17 C12 C13 C14 -179.1(3) . . . . ?
C17 C12 C13 C18 -1.3(4) . . . . ?
C18 C13 C14 C15 -177.7(2) . . . . ?
C18 C13 C14 C19 -1.1(4) . . . . ?
C19 C14 C15 Zn1 106.2(3) . . . . ?
C19 C14 C15 C11 -176.4(2) . . . . ?
C19 C14 C15 C20 -18.0(4) . . . . ?
C21 N1 C28 C29 -70.2(4) . . . . ?
C21 N1 C28 C30 52.4(4) . . . . ?
C21 N1 C28 C31 172.1(3) . . . . ?
C21 N2 C32 C33 35.3(4) . . . . ?
C21 N2 C32 C34 153.5(3) . . . . ?
C21 N2 C32 C35 -88.2(3) . . . . ?
C21 C22 C23 C24 177.7(3) . . . . ?
C21 C22 C27 C26 -177.1(3) . . . . ?
C22 C23 C24 C25 -0.9(5) . . . . ?
C23 C22 C27 C26 0.7(4) . . . . ?
C23 C24 C25 C26 1.1(5) . . . . ?
C24 C25 C26 C27 -0.3(5) . . . . ?
C25 C26 C27 C22 -0.5(4) . . . . ?
C27 C22 C23 C24 0.0(4) . . . . ?
C28 N1 C21 N2 169.9(2) . . . . ?
C28 N1 C21 C22 -12.0(4) . . . . ?
C32 N2 C21 N1 -172.5(2) . . . . ?
C32 N2 C21 C22 9.3(4) . . . . ?

_database_code_depnum_ccdc_archive 'CCDC 1008796'
#######################################################################
#
#                 Cambridge Crystallographic Data Centre
#                                CCDC 
# 
#######################################################################
# 
#  This CIF contains data from an original supplementary publication
#  deposited with the CCDC, and may include chemical, crystal,
#  experimental, refinement, atomic coordinates,
#  anisotropic displacement parameters and molecular geometry data,
#  as required by the journal to which it was submitted.
#
#  This CIF is provided on the understanding that it is used for bona
#  fide research purposes only. It may contain copyright material
#  of the CCDC or of third parties, and may not be copied or further
#  disseminated in any form, whether machine-readable or not,
#  except for the purpose of generating routine backup copies
#  on your local computer system.
# 
#  For further information on the CCDC, data deposition and
#  data retrieval see:
#                         www.ccdc.cam.ac.uk
#
#  Bona fide researchers may freely download Mercury and enCIFer
#  from this site to visualise CIF-encoded structures and 
#  to carry out CIF format checking respectively.
#
data_seb61-1_2mono
_audit_creation_date             2013-11-13
_audit_creation_method           
;
Olex2 1.2
(compiled 2013.09.17 svn.r2790 for OlexSys, GUI svn.r4601)
;
_shelxl_version_number           2013-2


_chemical_name_common            ?
_chemical_name_systematic        
;
 ?
;
_chemical_formula_moiety         'C54 H66 Cl2 N4 Si2 Zn2'
_chemical_formula_sum            'C54 H66 Cl2 N4 Si2 Zn2'
_chemical_formula_weight         1028.92
_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'
Cl Cl 0.1484 0.1585 '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'
Si Si 0.0817 0.0704 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Zn Zn 0.2839 1.4301 '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                   12.479(3)
_cell_length_b                   14.937(3)
_cell_length_c                   14.850(3)
_cell_angle_alpha                90
_cell_angle_beta                 104.21(3)
_cell_angle_gamma                90
_cell_volume                     2683.5(10)
_cell_formula_units_Z            2
_cell_measurement_reflns_used    20594
_cell_measurement_temperature    200(2)
_cell_measurement_theta_max      29.64
_cell_measurement_theta_min      1.68
_shelx_estimated_absorpt_T_max   ?
_shelx_estimated_absorpt_T_min   ?
_exptl_absorpt_coefficient_mu    1.076
_exptl_absorpt_correction_T_max  0.7779
_exptl_absorpt_correction_T_min  0.5936
_exptl_absorpt_correction_type   integration
_exptl_absorpt_process_details   'STOE X-RED & X-SHAPE'
_exptl_crystal_colour            colourless
_exptl_crystal_density_diffrn    1.273
_exptl_crystal_density_meas      ?
_exptl_crystal_density_method    ?
_exptl_crystal_description       fragment
_exptl_crystal_F_000             1080
_exptl_crystal_size_max          0.701
_exptl_crystal_size_mid          0.525
_exptl_crystal_size_min          0.319
_exptl_special_details           
;
 ?
;
_exptl_transmission_factor_max   ?
_exptl_transmission_factor_min   ?
_diffrn_reflns_av_R_equivalents  0.0388
_diffrn_reflns_av_unetI/netI     0.0331
_diffrn_reflns_Laue_measured_fraction_full 0.998
_diffrn_reflns_Laue_measured_fraction_max 0.998
_diffrn_reflns_limit_h_max       15
_diffrn_reflns_limit_h_min       -11
_diffrn_reflns_limit_k_max       18
_diffrn_reflns_limit_k_min       -17
_diffrn_reflns_limit_l_max       17
_diffrn_reflns_limit_l_min       -17
_diffrn_reflns_number            20474
_diffrn_reflns_point_group_measured_fraction_full 0.998
_diffrn_reflns_point_group_measured_fraction_max 0.998
_diffrn_reflns_theta_full        25.242
_diffrn_reflns_theta_max         25.511
_diffrn_reflns_theta_min         1.915
_diffrn_ambient_temperature      200.15
_diffrn_detector_area_resol_mean 6.67
_diffrn_measured_fraction_theta_full 0.998
_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                   
'sealed X-ray tube, 12 x 0.4 mm long-fine focus'
_reflns_Friedel_coverage         0.000
_reflns_Friedel_fraction_full    .
_reflns_Friedel_fraction_max     .
_reflns_number_gt                3951
_reflns_number_total             4991
_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       'STOE X-AREA'
_computing_data_collection       'STOE X-AREA'
_computing_data_reduction        'STOE X-RED'
_computing_molecular_graphics    
;
O. V. Dolomanov, L. J. Bourhis, R. J. Gildea, J. A. K. Howard and H. Puschmann,
OLEX2: a complete structure solution, refinement and analysis program.
J. Appl. Cryst. (2009). 42, 339-341.
;
_computing_publication_material  
;
O. V. Dolomanov, L. J. Bourhis, R. J. Gildea, J. A. K. Howard and H. Puschmann,
OLEX2: a complete structure solution, refinement and analysis program.
J. Appl. Cryst. (2009). 42, 339-341.
;
_computing_structure_refinement  
;
SHELX, G.M. Sheldrick, Acta Cryst.
(2008). A64, 112-122
;
_computing_structure_solution    'SUPERFLIP, J. Appl. Cryst. (2007) 40, 786-790'
_refine_diff_density_max         0.360
_refine_diff_density_min         -0.282
_refine_diff_density_rms         0.046
_refine_ls_extinction_coef       .
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   0.920
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     295
_refine_ls_number_reflns         4991
_refine_ls_number_restraints     0
_refine_ls_R_factor_all          0.0377
_refine_ls_R_factor_gt           0.0265
_refine_ls_restrained_S_all      0.920
_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)+(0.0400P)²]
 where P=(Fo²+2Fc²)/3
;
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0608
_refine_ls_wR_factor_ref         0.0628
_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
2.a Aromatic/amide H refined with riding coordinates:
 C2(H2), C3(H3), C4(H4), C5(H5), C6(H6), C8(H8), C9(H9), C10(H10), C11(H11),
 C12(H12), C15(H15), C16(H16), C17(H17), C18(H18), C19(H19)
2.b Idealised Me refined as rotating group:
 C21(H21A,H21B,H21C), C22(H22A,H22B,H22C), C23(H23A,H23B,H23C), C25(H25A,H25B,
 H25C), C26(H26A,H26B,H26C), C27(H27A,H27B,H27C)
;
_atom_sites_solution_hydrogens   geom
_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
Zn1 Zn 0.47635(2) 0.46007(2) 0.10098(2) 0.03310(7) Uani 1 1 d . . . . .
Cl1 Cl 0.58687(4) 0.57939(3) 0.06693(3) 0.03752(11) Uani 1 1 d . . . . .
Si1 Si 0.58509(4) 0.33040(3) 0.16382(3) 0.02934(11) Uani 1 1 d . . . . .
N1 N 0.55882(12) 0.22923(9) 0.09231(9) 0.0298(3) Uani 1 1 d . . . . .
N2 N 0.71453(12) 0.29551(9) 0.13733(9) 0.0310(3) Uani 1 1 d . . . . .
C1 C 0.59074(15) 0.28991(12) 0.28533(11) 0.0331(4) Uani 1 1 d . . . . .
C2 C 0.65074(15) 0.21458(13) 0.32353(12) 0.0396(4) Uani 1 1 d . . . . .
H2 H 0.6964 0.1854 0.2899 0.047 Uiso 1 1 calc R U . . .
C3 C 0.64543(16) 0.18110(14) 0.40942(13) 0.0447(5) Uani 1 1 d . . . . .
H3 H 0.6861 0.1291 0.4339 0.054 Uiso 1 1 calc R U . . .
C4 C 0.58015(17) 0.22426(16) 0.45905(13) 0.0502(5) Uani 1 1 d . . . . .
H4 H 0.5764 0.2019 0.5181 0.060 Uiso 1 1 calc R U . . .
C5 C 0.52090(18) 0.29908(16) 0.42363(14) 0.0530(6) Uani 1 1 d . . . . .
H5 H 0.4769 0.3287 0.4584 0.064 Uiso 1 1 calc R U . . .
C6 C 0.52523(16) 0.33158(14) 0.33674(13) 0.0428(5) Uani 1 1 d . . . . .
H6 H 0.4830 0.3828 0.3121 0.051 Uiso 1 1 calc R U . . .
C7 C 0.35025(15) 0.50812(12) 0.14695(12) 0.0341(4) Uani 1 1 d . . . . .
C8 C 0.24914(17) 0.46472(14) 0.13244(13) 0.0449(5) Uani 1 1 d . . . . .
H8 H 0.2421 0.4065 0.1059 0.054 Uiso 1 1 calc R U . . .
C9 C 0.15761(18) 0.50306(18) 0.15528(15) 0.0561(6) Uani 1 1 d . . . . .
H9 H 0.0896 0.4714 0.1434 0.067 Uiso 1 1 calc R U . . .
C10 C 0.1655(2) 0.58660(17) 0.19498(16) 0.0592(6) Uani 1 1 d . . . . .
H10 H 0.1028 0.6135 0.2094 0.071 Uiso 1 1 calc R U . . .
C11 C 0.2650(2) 0.63080(16) 0.21358(16) 0.0602(6) Uani 1 1 d . . . . .
H11 H 0.2719 0.6878 0.2429 0.072 Uiso 1 1 calc R U . . .
C12 C 0.35559(18) 0.59230(14) 0.18951(14) 0.0475(5) Uani 1 1 d . . . . .
H12 H 0.4235 0.6242 0.2024 0.057 Uiso 1 1 calc R U . . .
C13 C 0.66308(15) 0.22744(11) 0.08475(11) 0.0312(4) Uani 1 1 d . . . . .
C14 C 0.71137(16) 0.16279(12) 0.02890(13) 0.0399(4) Uani 1 1 d . . . . .
C15 C 0.69595(19) 0.17570(16) -0.06593(15) 0.0535(6) Uani 1 1 d . . . . .
H15 H 0.6563 0.2265 -0.0950 0.064 Uiso 1 1 calc R U . . .
C16 C 0.7383(2) 0.1145(2) -0.1182(2) 0.0775(9) Uani 1 1 d . . . . .
H16 H 0.7278 0.1239 -0.1831 0.093 Uiso 1 1 calc R U . . .
C17 C 0.7945(3) 0.0416(2) -0.0780(3) 0.0881(11) Uani 1 1 d . . . . .
H17 H 0.8225 -0.0001 -0.1148 0.106 Uiso 1 1 calc R U . . .
C18 C 0.8112(2) 0.02743(16) 0.0158(3) 0.0796(9) Uani 1 1 d . . . . .
H18 H 0.8511 -0.0237 0.0437 0.096 Uiso 1 1 calc R U . . .
C19 C 0.76929(19) 0.08855(14) 0.07066(18) 0.0577(6) Uani 1 1 d . . . . .
H19 H 0.7806 0.0790 0.1356 0.069 Uiso 1 1 calc R U . . .
C20 C 0.82439(15) 0.33685(13) 0.14509(12) 0.0355(4) Uani 1 1 d . . . . .
C21 C 0.83579(18) 0.36807(16) 0.05004(13) 0.0528(6) Uani 1 1 d . . . . .
H21A H 0.8399 0.3159 0.0111 0.079 Uiso 1 1 calc R U . . .
H21B H 0.9033 0.4038 0.0576 0.079 Uiso 1 1 calc R U . . .
H21C H 0.7715 0.4046 0.0204 0.079 Uiso 1 1 calc R U . . .
C22 C 0.82805(18) 0.41803(14) 0.20844(14) 0.0477(5) Uani 1 1 d . . . . .
H22A H 0.7711 0.4610 0.1786 0.072 Uiso 1 1 calc R U . . .
H22B H 0.9009 0.4464 0.2196 0.072 Uiso 1 1 calc R U . . .
H22C H 0.8145 0.3987 0.2677 0.072 Uiso 1 1 calc R U . . .
C23 C 0.91625(18) 0.27177(16) 0.18933(16) 0.0554(6) Uani 1 1 d . . . . .
H23A H 0.9032 0.2488 0.2476 0.083 Uiso 1 1 calc R U . . .
H23B H 0.9876 0.3028 0.2022 0.083 Uiso 1 1 calc R U . . .
H23C H 0.9170 0.2218 0.1467 0.083 Uiso 1 1 calc R U . . .
C24 C 0.46430(15) 0.16720(12) 0.06142(12) 0.0343(4) Uani 1 1 d . . . . .
C25 C 0.43130(18) 0.15863(14) -0.04423(13) 0.0454(5) Uani 1 1 d . . . . .
H25A H 0.4178 0.2183 -0.0721 0.068 Uiso 1 1 calc R U . . .
H25B H 0.3639 0.1226 -0.0629 0.068 Uiso 1 1 calc R U . . .
H25C H 0.4911 0.1295 -0.0655 0.068 Uiso 1 1 calc R U . . .
C26 C 0.36889(16) 0.20992(13) 0.09345(14) 0.0427(5) Uani 1 1 d . . . . .
H26A H 0.3903 0.2180 0.1610 0.064 Uiso 1 1 calc R U . . .
H26B H 0.3038 0.1710 0.0767 0.064 Uiso 1 1 calc R U . . .
H26C H 0.3513 0.2683 0.0632 0.064 Uiso 1 1 calc R U . . .
C27 C 0.49380(18) 0.07585(13) 0.10777(14) 0.0458(5) Uani 1 1 d . . . . .
H27A H 0.5530 0.0484 0.0844 0.069 Uiso 1 1 calc R U . . .
H27B H 0.4285 0.0370 0.0933 0.069 Uiso 1 1 calc R U . . .
H27C H 0.5188 0.0837 0.1752 0.069 Uiso 1 1 calc R U . . .


_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
Zn1 Cl1 2.4944(8) 3_665 ?
Zn1 Cl1 2.3826(6) . ?
Zn1 Si1 2.4171(7) . ?
Zn1 C7 1.9962(18) . ?
Cl1 Zn1 2.4943(8) 3_665 ?
Si1 N1 1.8298(14) . ?
Si1 N2 1.8296(15) . ?
Si1 C1 1.8880(17) . ?
N1 C13 1.333(2) . ?
N1 C24 1.481(2) . ?
N2 C13 1.345(2) . ?
N2 C20 1.482(2) . ?
C1 C2 1.393(3) . ?
C1 C6 1.395(3) . ?
C2 H2 0.9500 . ?
C2 C3 1.387(2) . ?
C3 H3 0.9500 . ?
C3 C4 1.385(3) . ?
C4 H4 0.9500 . ?
C4 C5 1.372(3) . ?
C5 H5 0.9500 . ?
C5 C6 1.392(3) . ?
C6 H6 0.9500 . ?
C7 C8 1.388(3) . ?
C7 C12 1.402(3) . ?
C8 H8 0.9500 . ?
C8 C9 1.392(3) . ?
C9 H9 0.9500 . ?
C9 C10 1.373(4) . ?
C10 H10 0.9500 . ?
C10 C11 1.373(3) . ?
C11 H11 0.9500 . ?
C11 C12 1.391(3) . ?
C12 H12 0.9500 . ?
C13 C14 1.493(2) . ?
C14 C15 1.387(3) . ?
C14 C19 1.385(3) . ?
C15 H15 0.9500 . ?
C15 C16 1.385(3) . ?
C16 H16 0.9500 . ?
C16 C17 1.353(5) . ?
C17 H17 0.9500 . ?
C17 C18 1.372(5) . ?
C18 H18 0.9500 . ?
C18 C19 1.407(3) . ?
C19 H19 0.9500 . ?
C20 C21 1.526(2) . ?
C20 C22 1.529(3) . ?
C20 C23 1.523(3) . ?
C21 H21A 0.9800 . ?
C21 H21B 0.9800 . ?
C21 H21C 0.9800 . ?
C22 H22A 0.9800 . ?
C22 H22B 0.9800 . ?
C22 H22C 0.9800 . ?
C23 H23A 0.9800 . ?
C23 H23B 0.9800 . ?
C23 H23C 0.9800 . ?
C24 C25 1.527(3) . ?
C24 C26 1.526(3) . ?
C24 C27 1.532(3) . ?
C25 H25A 0.9800 . ?
C25 H25B 0.9800 . ?
C25 H25C 0.9800 . ?
C26 H26A 0.9800 . ?
C26 H26B 0.9800 . ?
C26 H26C 0.9800 . ?
C27 H27A 0.9800 . ?
C27 H27B 0.9800 . ?
C27 H27C 0.9800 . ?

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
Cl1 Zn1 Cl1 91.27(2) . 3_665 ?
Cl1 Zn1 Si1 112.46(2) . . ?
Si1 Zn1 Cl1 101.92(2) . 3_665 ?
C7 Zn1 Cl1 110.46(6) . . ?
C7 Zn1 Cl1 110.14(6) . 3_665 ?
C7 Zn1 Si1 124.83(5) . . ?
Zn1 Cl1 Zn1 88.73(2) . 3_665 ?
N1 Si1 Zn1 115.73(5) . . ?
N1 Si1 C1 104.45(7) . . ?
N2 Si1 Zn1 125.94(5) . . ?
N2 Si1 N1 71.45(7) . . ?
N2 Si1 C1 106.64(8) . . ?
C1 Si1 Zn1 120.76(6) . . ?
C13 N1 Si1 91.48(11) . . ?
C13 N1 C24 132.89(14) . . ?
C24 N1 Si1 135.39(12) . . ?
C13 N2 Si1 91.11(11) . . ?
C13 N2 C20 131.35(14) . . ?
C20 N2 Si1 135.50(12) . . ?
C2 C1 Si1 122.56(13) . . ?
C2 C1 C6 117.80(16) . . ?
C6 C1 Si1 119.40(14) . . ?
C1 C2 H2 119.2 . . ?
C3 C2 C1 121.58(17) . . ?
C3 C2 H2 119.2 . . ?
C2 C3 H3 120.4 . . ?
C4 C3 C2 119.26(19) . . ?
C4 C3 H3 120.4 . . ?
C3 C4 H4 119.8 . . ?
C5 C4 C3 120.50(18) . . ?
C5 C4 H4 119.8 . . ?
C4 C5 H5 120.0 . . ?
C4 C5 C6 119.98(19) . . ?
C6 C5 H5 120.0 . . ?
C1 C6 H6 119.6 . . ?
C5 C6 C1 120.87(19) . . ?
C5 C6 H6 119.6 . . ?
C8 C7 Zn1 122.82(14) . . ?
C8 C7 C12 115.47(17) . . ?
C12 C7 Zn1 121.51(14) . . ?
C7 C8 H8 118.7 . . ?
C7 C8 C9 122.6(2) . . ?
C9 C8 H8 118.7 . . ?
C8 C9 H9 119.9 . . ?
C10 C9 C8 120.1(2) . . ?
C10 C9 H9 119.9 . . ?
C9 C10 H10 120.3 . . ?
C11 C10 C9 119.3(2) . . ?
C11 C10 H10 120.3 . . ?
C10 C11 H11 120.0 . . ?
C10 C11 C12 120.1(2) . . ?
C12 C11 H11 120.0 . . ?
C7 C12 H12 118.8 . . ?
C11 C12 C7 122.3(2) . . ?
C11 C12 H12 118.8 . . ?
N1 C13 N2 105.82(14) . . ?
N1 C13 C14 126.51(16) . . ?
N2 C13 C14 127.67(16) . . ?
C15 C14 C13 119.98(18) . . ?
C19 C14 C13 120.45(18) . . ?
C19 C14 C15 119.55(19) . . ?
C14 C15 H15 120.0 . . ?
C16 C15 C14 120.0(3) . . ?
C16 C15 H15 120.0 . . ?
C15 C16 H16 119.6 . . ?
C17 C16 C15 120.8(3) . . ?
C17 C16 H16 119.6 . . ?
C16 C17 H17 119.8 . . ?
C16 C17 C18 120.4(2) . . ?
C18 C17 H17 119.8 . . ?
C17 C18 H18 119.9 . . ?
C17 C18 C19 120.1(3) . . ?
C19 C18 H18 119.9 . . ?
C14 C19 C18 119.2(3) . . ?
C14 C19 H19 120.4 . . ?
C18 C19 H19 120.4 . . ?
N2 C20 C21 110.48(14) . . ?
N2 C20 C22 105.41(14) . . ?
N2 C20 C23 110.57(16) . . ?
C21 C20 C22 109.35(17) . . ?
C23 C20 C21 111.28(17) . . ?
C23 C20 C22 109.58(16) . . ?
C20 C21 H21A 109.5 . . ?
C20 C21 H21B 109.5 . . ?
C20 C21 H21C 109.5 . . ?
H21A C21 H21B 109.5 . . ?
H21A C21 H21C 109.5 . . ?
H21B C21 H21C 109.5 . . ?
C20 C22 H22A 109.5 . . ?
C20 C22 H22B 109.5 . . ?
C20 C22 H22C 109.5 . . ?
H22A C22 H22B 109.5 . . ?
H22A C22 H22C 109.5 . . ?
H22B C22 H22C 109.5 . . ?
C20 C23 H23A 109.5 . . ?
C20 C23 H23B 109.5 . . ?
C20 C23 H23C 109.5 . . ?
H23A C23 H23B 109.5 . . ?
H23A C23 H23C 109.5 . . ?
H23B C23 H23C 109.5 . . ?
N1 C24 C25 111.35(14) . . ?
N1 C24 C26 105.35(14) . . ?
N1 C24 C27 109.43(15) . . ?
C25 C24 C27 111.19(15) . . ?
C26 C24 C25 108.73(16) . . ?
C26 C24 C27 110.63(15) . . ?
C24 C25 H25A 109.5 . . ?
C24 C25 H25B 109.5 . . ?
C24 C25 H25C 109.5 . . ?
H25A C25 H25B 109.5 . . ?
H25A C25 H25C 109.5 . . ?
H25B C25 H25C 109.5 . . ?
C24 C26 H26A 109.5 . . ?
C24 C26 H26B 109.5 . . ?
C24 C26 H26C 109.5 . . ?
H26A C26 H26B 109.5 . . ?
H26A C26 H26C 109.5 . . ?
H26B C26 H26C 109.5 . . ?
C24 C27 H27A 109.5 . . ?
C24 C27 H27B 109.5 . . ?
C24 C27 H27C 109.5 . . ?
H27A C27 H27B 109.5 . . ?
H27A C27 H27C 109.5 . . ?
H27B C27 H27C 109.5 . . ?

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
Zn1 Si1 N1 C13 119.19(9) . . . . ?
Zn1 Si1 N1 C24 -66.11(16) . . . . ?
Zn1 Si1 N2 C13 -106.32(10) . . . . ?
Zn1 Si1 N2 C20 57.91(17) . . . . ?
Zn1 Si1 C1 C2 178.81(13) . . . . ?
Zn1 Si1 C1 C6 4.56(18) . . . . ?
Zn1 C7 C8 C9 -172.59(15) . . . . ?
Zn1 C7 C12 C11 173.42(16) . . . . ?
Si1 N1 C13 N2 3.36(13) . . . . ?
Si1 N1 C13 C14 -176.52(16) . . . . ?
Si1 N1 C24 C25 124.58(16) . . . . ?
Si1 N1 C24 C26 6.9(2) . . . . ?
Si1 N1 C24 C27 -112.08(17) . . . . ?
Si1 N2 C13 N1 -3.36(13) . . . . ?
Si1 N2 C13 C14 176.52(16) . . . . ?
Si1 N2 C20 C21 -103.20(18) . . . . ?
Si1 N2 C20 C22 14.8(2) . . . . ?
Si1 N2 C20 C23 133.17(16) . . . . ?
Si1 C1 C2 C3 -173.81(15) . . . . ?
Si1 C1 C6 C5 175.00(17) . . . . ?
N1 Si1 N2 C13 2.48(9) . . . . ?
N1 Si1 N2 C20 166.71(17) . . . . ?
N1 Si1 C1 C2 46.35(17) . . . . ?
N1 Si1 C1 C6 -127.90(16) . . . . ?
N1 C13 C14 C15 80.9(2) . . . . ?
N1 C13 C14 C19 -97.4(2) . . . . ?
N2 Si1 N1 C13 -2.50(9) . . . . ?
N2 Si1 N1 C24 172.19(17) . . . . ?
N2 Si1 C1 C2 -28.23(17) . . . . ?
N2 Si1 C1 C6 157.53(15) . . . . ?
N2 C13 C14 C15 -98.9(2) . . . . ?
N2 C13 C14 C19 82.7(2) . . . . ?
C1 Si1 N1 C13 -105.54(11) . . . . ?
C1 Si1 N1 C24 69.16(17) . . . . ?
C1 Si1 N2 C13 102.52(11) . . . . ?
C1 Si1 N2 C20 -93.25(16) . . . . ?
C1 C2 C3 C4 -0.9(3) . . . . ?
C2 C1 C6 C5 0.5(3) . . . . ?
C2 C3 C4 C5 0.3(3) . . . . ?
C3 C4 C5 C6 0.7(4) . . . . ?
C4 C5 C6 C1 -1.1(3) . . . . ?
C6 C1 C2 C3 0.5(3) . . . . ?
C7 C8 C9 C10 -0.9(3) . . . . ?
C8 C7 C12 C11 -1.5(3) . . . . ?
C8 C9 C10 C11 -1.4(3) . . . . ?
C9 C10 C11 C12 2.1(3) . . . . ?
C10 C11 C12 C7 -0.6(3) . . . . ?
C12 C7 C8 C9 2.3(3) . . . . ?
C13 N1 C24 C25 -62.7(2) . . . . ?
C13 N1 C24 C26 179.64(17) . . . . ?
C13 N1 C24 C27 60.7(2) . . . . ?
C13 N2 C20 C21 55.6(2) . . . . ?
C13 N2 C20 C22 173.60(17) . . . . ?
C13 N2 C20 C23 -68.0(2) . . . . ?
C13 C14 C15 C16 -178.4(2) . . . . ?
C13 C14 C19 C18 178.2(2) . . . . ?
C14 C15 C16 C17 0.3(4) . . . . ?
C15 C14 C19 C18 -0.2(3) . . . . ?
C15 C16 C17 C18 -0.6(4) . . . . ?
C16 C17 C18 C19 0.4(4) . . . . ?
C17 C18 C19 C14 -0.1(4) . . . . ?
C19 C14 C15 C16 0.0(3) . . . . ?
C20 N2 C13 N1 -168.66(16) . . . . ?
C20 N2 C13 C14 11.2(3) . . . . ?
C24 N1 C13 N2 -171.56(16) . . . . ?
C24 N1 C13 C14 8.6(3) . . . . ?

_database_code_depnum_ccdc_archive 'CCDC 1008797'
#######################################################################
#
#                 Cambridge Crystallographic Data Centre
#                                CCDC 
# 
#######################################################################
# 
#  This CIF contains data from an original supplementary publication
#  deposited with the CCDC, and may include chemical, crystal,
#  experimental, refinement, atomic coordinates,
#  anisotropic displacement parameters and molecular geometry data,
#  as required by the journal to which it was submitted.
#
#  This CIF is provided on the understanding that it is used for bona
#  fide research purposes only. It may contain copyright material
#  of the CCDC or of third parties, and may not be copied or further
#  disseminated in any form, whether machine-readable or not,
#  except for the purpose of generating routine backup copies
#  on your local computer system.
# 
#  For further information on the CCDC, data deposition and
#  data retrieval see:
#                         www.ccdc.cam.ac.uk
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#  from this site to visualise CIF-encoded structures and 
#  to carry out CIF format checking respectively.
#
data_seb86-2-monoabs_sq

_audit_creation_method           SHELXL-2014
_chemical_name_systematic        
;
 ?
;
_chemical_name_common            ?
_chemical_melting_point          ?
_chemical_formula_moiety         'C34 H56 Cl2 N4 Si2 Zn'
_chemical_formula_sum            'C34 H56 Cl2 N4 Si2 Zn'
_chemical_formula_weight         713.27

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'
Cl Cl 0.1484 0.1585 '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'
Si Si 0.0817 0.0704 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Zn Zn 0.2839 1.4301 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'

_space_group_crystal_system      monoclinic
_space_group_IT_number           14
_space_group_name_H-M_alt        'P 21/c'
_space_group_name_Hall           '-P 2ybc'

_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.
;

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                   11.432(2)
_cell_length_b                   23.618(5)
_cell_length_c                   16.420(3)
_cell_angle_alpha                90
_cell_angle_beta                 105.97(3)
_cell_angle_gamma                90
_cell_volume                     4262.1(16)
_cell_formula_units_Z            4
_cell_measurement_temperature    200(2)
_cell_measurement_reflns_used    ?
_cell_measurement_theta_min      1.55
_cell_measurement_theta_max      24.12

_exptl_crystal_description       plate
_exptl_crystal_colour            colourless
_exptl_crystal_density_meas      ?
_exptl_crystal_density_method    ?
_exptl_crystal_density_diffrn    1.112
_exptl_crystal_F_000             1520
_exptl_transmission_factor_min   ?
_exptl_transmission_factor_max   ?
_exptl_crystal_size_max          0.260
_exptl_crystal_size_mid          0.165
_exptl_crystal_size_min          0.103
_exptl_absorpt_coefficient_mu    0.79
_shelx_estimated_absorpt_T_min   ?
_shelx_estimated_absorpt_T_max   ?
_exptl_absorpt_correction_type   integration
_exptl_absorpt_correction_T_min  0.8350
_exptl_absorpt_correction_T_max  0.9369
_exptl_absorpt_process_details   'STOE X-RED & X-SHAPE'

_exptl_special_details           
;
 ?
;

_diffrn_ambient_temperature      200(2)
_diffrn_radiation_wavelength     0.71073
_diffrn_radiation_type           MoK\a
_diffrn_source                   
'sealed X-ray tube, 12 x 0.4 mm long-fine focus'
_diffrn_measurement_device_type  'STOE IPDS 2'
_diffrn_measurement_method       'rotation method'
_diffrn_detector_area_resol_mean 6.67
_diffrn_reflns_number            36794
_diffrn_reflns_av_unetI/netI     0.2497
_diffrn_reflns_av_R_equivalents  0.1577
_diffrn_reflns_limit_h_min       -13
_diffrn_reflns_limit_h_max       13
_diffrn_reflns_limit_k_min       -26
_diffrn_reflns_limit_k_max       28
_diffrn_reflns_limit_l_min       -19
_diffrn_reflns_limit_l_max       19
_diffrn_reflns_theta_min         1.552
_diffrn_reflns_theta_max         25.260
_diffrn_reflns_theta_full        26.000
_diffrn_measured_fraction_theta_max 0.999
_diffrn_measured_fraction_theta_full 0.923
_diffrn_reflns_Laue_measured_fraction_max 0.999
_diffrn_reflns_Laue_measured_fraction_full 0.923
_diffrn_reflns_point_group_measured_fraction_max 0.999
_diffrn_reflns_point_group_measured_fraction_full 0.923
_reflns_number_total             7732
_reflns_number_gt                2903
_reflns_threshold_expression     'I > 2σ(I)'
_reflns_Friedel_coverage         0.000
_reflns_Friedel_fraction_max     .
_reflns_Friedel_fraction_full    .

_reflns_special_details          
;
 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.
;

_computing_data_collection       'STOE X-AREA'
_computing_cell_refinement       'STOE X-AREA, PLATON (A.L.Spek, 2005)'
_computing_data_reduction        'STOE X-RED, PLATON (A.L.Spek, 2005)'
_computing_structure_solution    'SUPERFLIP, J. Appl. Cryst. (2007) 40, 786-790'
_computing_structure_refinement  'SHELXL-2014 (Sheldrick, 2014)'
_computing_molecular_graphics    'Diamond 3.2i'
_computing_publication_material  'Microsoft Word'

_refine_special_details          
;
 ?
;
_refine_ls_structure_factor_coef Fsqd
_refine_ls_matrix_type           full
_refine_ls_weighting_scheme      calc
_refine_ls_weighting_details     
'w=1/[σ²(Fo²)+(0.0158P)²] where P=(Fo²+2Fc²)/3'
_atom_sites_solution_primary     ?
_atom_sites_solution_secondary   ?
_atom_sites_solution_hydrogens   geom
_refine_ls_hydrogen_treatment    constr
_refine_ls_extinction_method     none
_refine_ls_extinction_coef       .
_refine_ls_number_reflns         7732
_refine_ls_number_parameters     402
_refine_ls_number_restraints     0
_refine_ls_R_factor_all          0.1638
_refine_ls_R_factor_gt           0.0485
_refine_ls_wR_factor_ref         0.0850
_refine_ls_wR_factor_gt          0.0652
_refine_ls_goodness_of_fit_ref   0.669
_refine_ls_restrained_S_all      0.669
_refine_ls_shift/su_max          0.001
_refine_ls_shift/su_mean         0.000

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
Zn1 Zn 0.02519(5) 0.73964(3) 0.12385(3) 0.03726(18) Uani 1 1 d . . . . .
Cl1 Cl -0.16335(12) 0.77279(7) 0.04792(8) 0.0590(5) Uani 1 1 d . . . . .
Cl2 Cl 0.15063(12) 0.72610(6) 0.03569(7) 0.0494(4) Uani 1 1 d . . . . .
Si1 Si -0.01470(13) 0.64694(7) 0.17244(8) 0.0383(4) Uani 1 1 d . . . . .
Si2 Si 0.12903(13) 0.81154(7) 0.22221(9) 0.0400(4) Uani 1 1 d . . . . .
N1 N -0.1410(4) 0.61020(17) 0.0991(2) 0.0370(11) Uani 1 1 d . . . . .
N2 N -0.1419(4) 0.64364(18) 0.2200(2) 0.0386(12) Uani 1 1 d . . . . .
N3 N 0.2061(4) 0.86371(17) 0.1730(2) 0.0379(12) Uani 1 1 d . . . . .
N4 N 0.2931(4) 0.79942(18) 0.2598(2) 0.0371(11) Uani 1 1 d . . . . .
C1 C 0.1006(5) 0.5918(2) 0.2249(3) 0.0542(17) Uani 1 1 d . . . . .
H1A H 0.1538 0.5845 0.1876 0.065 Uiso 1 1 calc R U . . .
H1B H 0.1524 0.6081 0.2783 0.065 Uiso 1 1 calc R U . . .
C2 C 0.0520(6) 0.5353(3) 0.2457(4) 0.093(3) Uani 1 1 d . . . . .
H2A H 0.0052 0.5170 0.1932 0.139 Uiso 1 1 calc R U . . .
H2B H -0.0008 0.5415 0.2829 0.139 Uiso 1 1 calc R U . . .
H2C H 0.1202 0.5108 0.2744 0.139 Uiso 1 1 calc R U . . .
C3 C 0.0823(5) 0.8477(2) 0.3092(3) 0.0546(17) Uani 1 1 d . . . . .
H3A H 0.0022 0.8658 0.2846 0.066 Uiso 1 1 calc R U . . .
H3B H 0.0711 0.8185 0.3497 0.066 Uiso 1 1 calc R U . . .
C4 C 0.1702(5) 0.8930(3) 0.3590(3) 0.0667(19) Uani 1 1 d . . . . .
H4A H 0.1618 0.9278 0.3253 0.100 Uiso 1 1 calc R U . . .
H4B H 0.2540 0.8791 0.3710 0.100 Uiso 1 1 calc R U . . .
H4C H 0.1508 0.9009 0.4124 0.100 Uiso 1 1 calc R U . . .
C5 C -0.2142(5) 0.6216(2) 0.1481(3) 0.0367(14) Uani 1 1 d . . . . .
C6 C -0.3482(5) 0.6131(2) 0.1281(3) 0.0378(15) Uani 1 1 d . . . . .
C7 C -0.3941(5) 0.5626(3) 0.1489(4) 0.064(2) Uani 1 1 d . . . . .
H7 H -0.3404 0.5330 0.1746 0.077 Uiso 1 1 calc R U . . .
C8 C -0.5183(6) 0.5555(3) 0.1320(4) 0.080(2) Uani 1 1 d . . . . .
H8 H -0.5502 0.5212 0.1473 0.096 Uiso 1 1 calc R U . . .
C9 C -0.5965(6) 0.5983(3) 0.0927(4) 0.064(2) Uani 1 1 d . . . . .
H9 H -0.6821 0.5931 0.0800 0.077 Uiso 1 1 calc R U . . .
C10 C -0.5513(5) 0.6472(3) 0.0726(3) 0.0519(17) Uani 1 1 d . . . . .
H10 H -0.6053 0.6768 0.0468 0.062 Uiso 1 1 calc R U . . .
C11 C -0.4270(5) 0.6552(2) 0.0890(3) 0.0428(15) Uani 1 1 d . . . . .
H11 H -0.3962 0.6896 0.0732 0.051 Uiso 1 1 calc R U . . .
C12 C -0.1675(5) 0.5895(2) 0.0109(3) 0.0457(16) Uani 1 1 d . . . . .
C13 C -0.2261(7) 0.5315(3) 0.0023(4) 0.098(3) Uani 1 1 d . . . . .
H13A H -0.1753 0.5058 0.0444 0.147 Uiso 1 1 calc R U . . .
H13B H -0.2339 0.5166 -0.0547 0.147 Uiso 1 1 calc R U . . .
H13C H -0.3069 0.5344 0.0118 0.147 Uiso 1 1 calc R U . . .
C14 C -0.2469(7) 0.6315(3) -0.0492(3) 0.110(3) Uani 1 1 d . . . . .
H14A H -0.3268 0.6335 -0.0381 0.165 Uiso 1 1 calc R U . . .
H14B H -0.2568 0.6193 -0.1077 0.165 Uiso 1 1 calc R U . . .
H14C H -0.2085 0.6690 -0.0406 0.165 Uiso 1 1 calc R U . . .
C15 C -0.0476(6) 0.5862(3) -0.0099(4) 0.082(2) Uani 1 1 d . . . . .
H15A H -0.0096 0.6237 -0.0034 0.123 Uiso 1 1 calc R U . . .
H15B H -0.0610 0.5732 -0.0684 0.123 Uiso 1 1 calc R U . . .
H15C H 0.0058 0.5594 0.0287 0.123 Uiso 1 1 calc R U . . .
C16 C -0.1686(5) 0.6706(2) 0.2942(3) 0.0413(15) Uani 1 1 d . . . . .
C17 C -0.2318(5) 0.7272(3) 0.2693(3) 0.0685(19) Uani 1 1 d . . . . .
H17A H -0.1849 0.7501 0.2398 0.103 Uiso 1 1 calc R U . . .
H17B H -0.2377 0.7472 0.3204 0.103 Uiso 1 1 calc R U . . .
H17C H -0.3137 0.7207 0.2319 0.103 Uiso 1 1 calc R U . . .
C18 C -0.0451(5) 0.6817(3) 0.3561(3) 0.078(2) Uani 1 1 d . . . . .
H18A H -0.0031 0.6456 0.3731 0.116 Uiso 1 1 calc R U . . .
H18B H -0.0560 0.7011 0.4063 0.116 Uiso 1 1 calc R U . . .
H18C H 0.0036 0.7055 0.3290 0.116 Uiso 1 1 calc R U . . .
C19 C -0.2454(6) 0.6337(3) 0.3342(4) 0.084(2) Uani 1 1 d . . . . .
H19A H -0.3244 0.6268 0.2931 0.126 Uiso 1 1 calc R U . . .
H19B H -0.2579 0.6528 0.3841 0.126 Uiso 1 1 calc R U . . .
H19C H -0.2038 0.5975 0.3512 0.126 Uiso 1 1 calc R U . . .
C20 C 0.3136(5) 0.8385(2) 0.2061(3) 0.0385(14) Uani 1 1 d . . . . .
C21 C 0.4314(5) 0.8489(3) 0.1857(3) 0.0472(16) Uani 1 1 d . . . . .
C22 C 0.4611(6) 0.8173(3) 0.1222(4) 0.0513(16) Uani 1 1 d . . . . .
H22 H 0.4047 0.7904 0.0908 0.062 Uiso 1 1 calc R U . . .
C23 C 0.5707(7) 0.8247(3) 0.1048(4) 0.073(2) Uani 1 1 d . . . . .
H23 H 0.5905 0.8030 0.0617 0.088 Uiso 1 1 calc R U . . .
C24 C 0.6510(7) 0.8636(4) 0.1499(5) 0.079(2) Uani 1 1 d . . . . .
H24 H 0.7275 0.8684 0.1385 0.094 Uiso 1 1 calc R U . . .
C25 C 0.6231(7) 0.8960(3) 0.2114(4) 0.076(2) Uani 1 1 d . . . . .
H25 H 0.6791 0.9236 0.2415 0.092 Uiso 1 1 calc R U . . .
C26 C 0.5122(6) 0.8883(3) 0.2293(3) 0.0603(19) Uani 1 1 d . . . . .
H26 H 0.4926 0.9104 0.2721 0.072 Uiso 1 1 calc R U . . .
C27 C 0.1709(5) 0.9078(2) 0.1065(3) 0.0482(16) Uani 1 1 d . . . . .
C28 C 0.2007(6) 0.8905(2) 0.0254(3) 0.066(2) Uani 1 1 d . . . . .
H28A H 0.1622 0.9170 -0.0200 0.099 Uiso 1 1 calc R U . . .
H28B H 0.1700 0.8522 0.0094 0.099 Uiso 1 1 calc R U . . .
H28C H 0.2891 0.8912 0.0345 0.099 Uiso 1 1 calc R U . . .
C29 C 0.2303(6) 0.9642(2) 0.1392(4) 0.076(2) Uani 1 1 d . . . . .
H29A H 0.2108 0.9742 0.1919 0.114 Uiso 1 1 calc R U . . .
H29B H 0.1997 0.9937 0.0967 0.114 Uiso 1 1 calc R U . . .
H29C H 0.3187 0.9609 0.1500 0.114 Uiso 1 1 calc R U . . .
C30 C 0.0326(5) 0.9135(3) 0.0887(4) 0.071(2) Uani 1 1 d . . . . .
H30A H 0.0120 0.9208 0.1418 0.107 Uiso 1 1 calc R U . . .
H30B H -0.0065 0.8783 0.0634 0.107 Uiso 1 1 calc R U . . .
H30C H 0.0039 0.9450 0.0494 0.107 Uiso 1 1 calc R U . . .
C31 C 0.3718(4) 0.7543(2) 0.3098(3) 0.0408(14) Uani 1 1 d . . . . .
C32 C 0.3971(5) 0.7085(2) 0.2518(3) 0.0510(17) Uani 1 1 d . . . . .
H32A H 0.3199 0.6929 0.2173 0.077 Uiso 1 1 calc R U . . .
H32B H 0.4454 0.6783 0.2860 0.077 Uiso 1 1 calc R U . . .
H32C H 0.4422 0.7249 0.2146 0.077 Uiso 1 1 calc R U . . .
C33 C 0.4925(4) 0.7797(2) 0.3639(3) 0.0603(19) Uani 1 1 d . . . . .
H33A H 0.5428 0.7910 0.3270 0.091 Uiso 1 1 calc R U . . .
H33B H 0.5360 0.7514 0.4047 0.091 Uiso 1 1 calc R U . . .
H33C H 0.4753 0.8130 0.3944 0.091 Uiso 1 1 calc R U . . .
C34 C 0.3005(5) 0.7300(2) 0.3675(3) 0.0549(16) Uani 1 1 d . . . . .
H34A H 0.2837 0.7601 0.4038 0.082 Uiso 1 1 calc R U . . .
H34B H 0.3484 0.7001 0.4029 0.082 Uiso 1 1 calc R U . . .
H34C H 0.2236 0.7142 0.3330 0.082 Uiso 1 1 calc R U . . .


_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
Zn1 Cl1 2.3097(15) . ?
Zn1 Cl2 2.3230(16) . ?
Zn1 Si1 2.4162(17) . ?
Zn1 Si2 2.4178(16) . ?
Si1 N1 1.825(4) . ?
Si1 N2 1.832(5) . ?
Si1 C1 1.884(5) . ?
Si2 N3 1.827(5) . ?
Si2 N4 1.828(4) . ?
Si2 C3 1.864(5) . ?
N1 C5 1.338(6) . ?
N1 C12 1.479(6) . ?
N2 C5 1.346(5) . ?
N2 C16 1.479(6) . ?
N3 C20 1.339(6) . ?
N3 C27 1.482(6) . ?
N4 C20 1.341(6) . ?
N4 C31 1.487(6) . ?
C1 C2 1.522(7) . ?
C1 H1A 0.9900 . ?
C1 H1B 0.9900 . ?
C2 H2A 0.9800 . ?
C2 H2B 0.9800 . ?
C2 H2C 0.9800 . ?
C3 C4 1.539(7) . ?
C3 H3A 0.9900 . ?
C3 H3B 0.9900 . ?
C4 H4A 0.9800 . ?
C4 H4B 0.9800 . ?
C4 H4C 0.9800 . ?
C5 C6 1.489(7) . ?
C6 C11 1.375(7) . ?
C6 C7 1.383(7) . ?
C7 C8 1.380(8) . ?
C7 H7 0.9500 . ?
C8 C9 1.386(8) . ?
C8 H8 0.9500 . ?
C9 C10 1.344(8) . ?
C9 H9 0.9500 . ?
C10 C11 1.384(7) . ?
C10 H10 0.9500 . ?
C11 H11 0.9500 . ?
C12 C15 1.502(8) . ?
C12 C14 1.512(7) . ?
C12 C13 1.516(8) . ?
C13 H13A 0.9800 . ?
C13 H13B 0.9800 . ?
C13 H13C 0.9800 . ?
C14 H14A 0.9800 . ?
C14 H14B 0.9800 . ?
C14 H14C 0.9800 . ?
C15 H15A 0.9800 . ?
C15 H15B 0.9800 . ?
C15 H15C 0.9800 . ?
C16 C19 1.510(7) . ?
C16 C18 1.519(6) . ?
C16 C17 1.520(7) . ?
C17 H17A 0.9800 . ?
C17 H17B 0.9800 . ?
C17 H17C 0.9800 . ?
C18 H18A 0.9800 . ?
C18 H18B 0.9800 . ?
C18 H18C 0.9800 . ?
C19 H19A 0.9800 . ?
C19 H19B 0.9800 . ?
C19 H19C 0.9800 . ?
C20 C21 1.496(8) . ?
C21 C26 1.366(7) . ?
C21 C22 1.397(8) . ?
C22 C23 1.372(8) . ?
C22 H22 0.9500 . ?
C23 C24 1.364(9) . ?
C23 H23 0.9500 . ?
C24 C25 1.374(9) . ?
C24 H24 0.9500 . ?
C25 C26 1.390(9) . ?
C25 H25 0.9500 . ?
C26 H26 0.9500 . ?
C27 C28 1.518(8) . ?
C27 C29 1.525(7) . ?
C27 C30 1.532(7) . ?
C28 H28A 0.9800 . ?
C28 H28B 0.9800 . ?
C28 H28C 0.9800 . ?
C29 H29A 0.9800 . ?
C29 H29B 0.9800 . ?
C29 H29C 0.9800 . ?
C30 H30A 0.9800 . ?
C30 H30B 0.9800 . ?
C30 H30C 0.9800 . ?
C31 C32 1.521(7) . ?
C31 C34 1.522(7) . ?
C31 C33 1.542(6) . ?
C32 H32A 0.9800 . ?
C32 H32B 0.9800 . ?
C32 H32C 0.9800 . ?
C33 H33A 0.9800 . ?
C33 H33B 0.9800 . ?
C33 H33C 0.9800 . ?
C34 H34A 0.9800 . ?
C34 H34B 0.9800 . ?
C34 H34C 0.9800 . ?

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
Cl1 Zn1 Cl2 110.77(5) . . ?
Cl1 Zn1 Si1 104.63(6) . . ?
Cl2 Zn1 Si1 106.62(6) . . ?
Cl1 Zn1 Si2 109.65(6) . . ?
Cl2 Zn1 Si2 103.83(6) . . ?
Si1 Zn1 Si2 121.23(5) . . ?
N1 Si1 N2 71.61(19) . . ?
N1 Si1 C1 107.5(2) . . ?
N2 Si1 C1 108.2(2) . . ?
N1 Si1 Zn1 113.57(14) . . ?
N2 Si1 Zn1 115.05(16) . . ?
C1 Si1 Zn1 127.2(2) . . ?
N3 Si2 N4 71.38(19) . . ?
N3 Si2 C3 107.7(2) . . ?
N4 Si2 C3 107.2(2) . . ?
N3 Si2 Zn1 112.71(13) . . ?
N4 Si2 Zn1 112.66(15) . . ?
C3 Si2 Zn1 129.96(19) . . ?
C5 N1 C12 131.4(4) . . ?
C5 N1 Si1 91.1(3) . . ?
C12 N1 Si1 135.6(4) . . ?
C5 N2 C16 132.3(4) . . ?
C5 N2 Si1 90.6(3) . . ?
C16 N2 Si1 134.5(3) . . ?
C20 N3 C27 130.2(5) . . ?
C20 N3 Si2 91.2(3) . . ?
C27 N3 Si2 137.1(4) . . ?
C20 N4 C31 131.8(5) . . ?
C20 N4 Si2 91.1(3) . . ?
C31 N4 Si2 135.0(4) . . ?
C2 C1 Si1 117.1(4) . . ?
C2 C1 H1A 108.0 . . ?
Si1 C1 H1A 108.0 . . ?
C2 C1 H1B 108.0 . . ?
Si1 C1 H1B 108.0 . . ?
H1A C1 H1B 107.3 . . ?
C1 C2 H2A 109.5 . . ?
C1 C2 H2B 109.5 . . ?
H2A C2 H2B 109.5 . . ?
C1 C2 H2C 109.5 . . ?
H2A C2 H2C 109.5 . . ?
H2B C2 H2C 109.5 . . ?
C4 C3 Si2 116.3(4) . . ?
C4 C3 H3A 108.2 . . ?
Si2 C3 H3A 108.2 . . ?
C4 C3 H3B 108.2 . . ?
Si2 C3 H3B 108.2 . . ?
H3A C3 H3B 107.4 . . ?
C3 C4 H4A 109.5 . . ?
C3 C4 H4B 109.5 . . ?
H4A C4 H4B 109.5 . . ?
C3 C4 H4C 109.5 . . ?
H4A C4 H4C 109.5 . . ?
H4B C4 H4C 109.5 . . ?
N1 C5 N2 105.7(5) . . ?
N1 C5 C6 128.0(5) . . ?
N2 C5 C6 126.2(5) . . ?
C11 C6 C7 119.6(5) . . ?
C11 C6 C5 120.6(5) . . ?
C7 C6 C5 119.9(5) . . ?
C8 C7 C6 119.6(6) . . ?
C8 C7 H7 120.2 . . ?
C6 C7 H7 120.2 . . ?
C7 C8 C9 120.1(7) . . ?
C7 C8 H8 120.0 . . ?
C9 C8 H8 120.0 . . ?
C10 C9 C8 120.0(6) . . ?
C10 C9 H9 120.0 . . ?
C8 C9 H9 120.0 . . ?
C9 C10 C11 120.8(6) . . ?
C9 C10 H10 119.6 . . ?
C11 C10 H10 119.6 . . ?
C6 C11 C10 119.9(6) . . ?
C6 C11 H11 120.0 . . ?
C10 C11 H11 120.0 . . ?
N1 C12 C15 106.6(4) . . ?
N1 C12 C14 110.3(5) . . ?
C15 C12 C14 107.9(6) . . ?
N1 C12 C13 110.8(5) . . ?
C15 C12 C13 109.8(5) . . ?
C14 C12 C13 111.3(5) . . ?
C12 C13 H13A 109.5 . . ?
C12 C13 H13B 109.5 . . ?
H13A C13 H13B 109.5 . . ?
C12 C13 H13C 109.5 . . ?
H13A C13 H13C 109.5 . . ?
H13B C13 H13C 109.5 . . ?
C12 C14 H14A 109.5 . . ?
C12 C14 H14B 109.5 . . ?
H14A C14 H14B 109.5 . . ?
C12 C14 H14C 109.5 . . ?
H14A C14 H14C 109.5 . . ?
H14B C14 H14C 109.5 . . ?
C12 C15 H15A 109.5 . . ?
C12 C15 H15B 109.5 . . ?
H15A C15 H15B 109.5 . . ?
C12 C15 H15C 109.5 . . ?
H15A C15 H15C 109.5 . . ?
H15B C15 H15C 109.5 . . ?
N2 C16 C19 112.6(5) . . ?
N2 C16 C18 105.1(5) . . ?
C19 C16 C18 110.7(5) . . ?
N2 C16 C17 110.4(4) . . ?
C19 C16 C17 109.5(5) . . ?
C18 C16 C17 108.3(5) . . ?
C16 C17 H17A 109.5 . . ?
C16 C17 H17B 109.5 . . ?
H17A C17 H17B 109.5 . . ?
C16 C17 H17C 109.5 . . ?
H17A C17 H17C 109.5 . . ?
H17B C17 H17C 109.5 . . ?
C16 C18 H18A 109.5 . . ?
C16 C18 H18B 109.5 . . ?
H18A C18 H18B 109.5 . . ?
C16 C18 H18C 109.5 . . ?
H18A C18 H18C 109.5 . . ?
H18B C18 H18C 109.5 . . ?
C16 C19 H19A 109.5 . . ?
C16 C19 H19B 109.5 . . ?
H19A C19 H19B 109.5 . . ?
C16 C19 H19C 109.5 . . ?
H19A C19 H19C 109.5 . . ?
H19B C19 H19C 109.5 . . ?
N3 C20 N4 105.4(5) . . ?
N3 C20 C21 128.2(5) . . ?
N4 C20 C21 126.3(5) . . ?
C26 C21 C22 119.2(6) . . ?
C26 C21 C20 121.0(6) . . ?
C22 C21 C20 119.8(5) . . ?
C23 C22 C21 120.7(6) . . ?
C23 C22 H22 119.6 . . ?
C21 C22 H22 119.6 . . ?
C24 C23 C22 119.3(7) . . ?
C24 C23 H23 120.4 . . ?
C22 C23 H23 120.4 . . ?
C23 C24 C25 121.2(8) . . ?
C23 C24 H24 119.4 . . ?
C25 C24 H24 119.4 . . ?
C24 C25 C26 119.4(7) . . ?
C24 C25 H25 120.3 . . ?
C26 C25 H25 120.3 . . ?
C21 C26 C25 120.2(7) . . ?
C21 C26 H26 119.9 . . ?
C25 C26 H26 119.9 . . ?
N3 C27 C28 112.1(5) . . ?
N3 C27 C29 110.5(4) . . ?
C28 C27 C29 110.9(5) . . ?
N3 C27 C30 105.1(5) . . ?
C28 C27 C30 108.9(5) . . ?
C29 C27 C30 109.1(5) . . ?
C27 C28 H28A 109.5 . . ?
C27 C28 H28B 109.5 . . ?
H28A C28 H28B 109.5 . . ?
C27 C28 H28C 109.5 . . ?
H28A C28 H28C 109.5 . . ?
H28B C28 H28C 109.5 . . ?
C27 C29 H29A 109.5 . . ?
C27 C29 H29B 109.5 . . ?
H29A C29 H29B 109.5 . . ?
C27 C29 H29C 109.5 . . ?
H29A C29 H29C 109.5 . . ?
H29B C29 H29C 109.5 . . ?
C27 C30 H30A 109.5 . . ?
C27 C30 H30B 109.5 . . ?
H30A C30 H30B 109.5 . . ?
C27 C30 H30C 109.5 . . ?
H30A C30 H30C 109.5 . . ?
H30B C30 H30C 109.5 . . ?
N4 C31 C32 110.7(4) . . ?
N4 C31 C34 105.5(4) . . ?
C32 C31 C34 110.4(5) . . ?
N4 C31 C33 110.4(4) . . ?
C32 C31 C33 110.1(4) . . ?
C34 C31 C33 109.6(4) . . ?
C31 C32 H32A 109.5 . . ?
C31 C32 H32B 109.5 . . ?
H32A C32 H32B 109.5 . . ?
C31 C32 H32C 109.5 . . ?
H32A C32 H32C 109.5 . . ?
H32B C32 H32C 109.5 . . ?
C31 C33 H33A 109.5 . . ?
C31 C33 H33B 109.5 . . ?
H33A C33 H33B 109.5 . . ?
C31 C33 H33C 109.5 . . ?
H33A C33 H33C 109.5 . . ?
H33B C33 H33C 109.5 . . ?
C31 C34 H34A 109.5 . . ?
C31 C34 H34B 109.5 . . ?
H34A C34 H34B 109.5 . . ?
C31 C34 H34C 109.5 . . ?
H34A C34 H34C 109.5 . . ?
H34B C34 H34C 109.5 . . ?

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
N2 Si1 N1 C5 6.4(3) . . . . ?
C1 Si1 N1 C5 110.4(3) . . . . ?
Zn1 Si1 N1 C5 -103.6(3) . . . . ?
N2 Si1 N1 C12 171.7(5) . . . . ?
C1 Si1 N1 C12 -84.4(5) . . . . ?
Zn1 Si1 N1 C12 61.7(5) . . . . ?
N1 Si1 N2 C5 -6.4(3) . . . . ?
C1 Si1 N2 C5 -109.3(3) . . . . ?
Zn1 Si1 N2 C5 101.7(3) . . . . ?
N1 Si1 N2 C16 -168.8(5) . . . . ?
C1 Si1 N2 C16 88.2(5) . . . . ?
Zn1 Si1 N2 C16 -60.8(5) . . . . ?
N4 Si2 N3 C20 6.3(3) . . . . ?
C3 Si2 N3 C20 109.1(3) . . . . ?
Zn1 Si2 N3 C20 -101.1(3) . . . . ?
N4 Si2 N3 C27 172.4(5) . . . . ?
C3 Si2 N3 C27 -84.9(5) . . . . ?
Zn1 Si2 N3 C27 64.9(5) . . . . ?
N3 Si2 N4 C20 -6.3(3) . . . . ?
C3 Si2 N4 C20 -109.7(3) . . . . ?
Zn1 Si2 N4 C20 101.2(3) . . . . ?
N3 Si2 N4 C31 -170.5(5) . . . . ?
C3 Si2 N4 C31 86.1(5) . . . . ?
Zn1 Si2 N4 C31 -63.0(5) . . . . ?
N1 Si1 C1 C2 -36.9(5) . . . . ?
N2 Si1 C1 C2 38.9(5) . . . . ?
Zn1 Si1 C1 C2 -176.9(4) . . . . ?
N3 Si2 C3 C4 -35.9(5) . . . . ?
N4 Si2 C3 C4 39.5(5) . . . . ?
Zn1 Si2 C3 C4 -178.7(3) . . . . ?
C12 N1 C5 N2 -174.9(5) . . . . ?
Si1 N1 C5 N2 -8.6(4) . . . . ?
C12 N1 C5 C6 3.9(9) . . . . ?
Si1 N1 C5 C6 170.2(5) . . . . ?
C16 N2 C5 N1 171.7(5) . . . . ?
Si1 N2 C5 N1 8.6(4) . . . . ?
C16 N2 C5 C6 -7.2(9) . . . . ?
Si1 N2 C5 C6 -170.2(5) . . . . ?
N1 C5 C6 C11 -89.0(7) . . . . ?
N2 C5 C6 C11 89.6(6) . . . . ?
N1 C5 C6 C7 90.9(7) . . . . ?
N2 C5 C6 C7 -90.5(7) . . . . ?
C11 C6 C7 C8 -1.6(9) . . . . ?
C5 C6 C7 C8 178.5(6) . . . . ?
C6 C7 C8 C9 1.5(11) . . . . ?
C7 C8 C9 C10 -1.4(11) . . . . ?
C8 C9 C10 C11 1.4(9) . . . . ?
C7 C6 C11 C10 1.6(8) . . . . ?
C5 C6 C11 C10 -178.5(5) . . . . ?
C9 C10 C11 C6 -1.5(8) . . . . ?
C5 N1 C12 C15 178.8(6) . . . . ?
Si1 N1 C12 C15 18.7(7) . . . . ?
C5 N1 C12 C14 61.9(8) . . . . ?
Si1 N1 C12 C14 -98.3(6) . . . . ?
C5 N1 C12 C13 -61.8(7) . . . . ?
Si1 N1 C12 C13 138.1(5) . . . . ?
C5 N2 C16 C19 55.0(7) . . . . ?
Si1 N2 C16 C19 -149.1(4) . . . . ?
C5 N2 C16 C18 175.6(5) . . . . ?
Si1 N2 C16 C18 -28.5(7) . . . . ?
C5 N2 C16 C17 -67.8(7) . . . . ?
Si1 N2 C16 C17 88.2(6) . . . . ?
C27 N3 C20 N4 -176.1(5) . . . . ?
Si2 N3 C20 N4 -8.5(4) . . . . ?
C27 N3 C20 C21 1.4(9) . . . . ?
Si2 N3 C20 C21 168.9(5) . . . . ?
C31 N4 C20 N3 173.6(4) . . . . ?
Si2 N4 C20 N3 8.5(4) . . . . ?
C31 N4 C20 C21 -4.0(9) . . . . ?
Si2 N4 C20 C21 -169.0(5) . . . . ?
N3 C20 C21 C26 90.4(7) . . . . ?
N4 C20 C21 C26 -92.7(7) . . . . ?
N3 C20 C21 C22 -91.0(7) . . . . ?
N4 C20 C21 C22 86.0(7) . . . . ?
C26 C21 C22 C23 1.2(9) . . . . ?
C20 C21 C22 C23 -177.4(5) . . . . ?
C21 C22 C23 C24 -0.3(10) . . . . ?
C22 C23 C24 C25 -1.0(11) . . . . ?
C23 C24 C25 C26 1.4(11) . . . . ?
C22 C21 C26 C25 -0.9(9) . . . . ?
C20 C21 C26 C25 177.8(5) . . . . ?
C24 C25 C26 C21 -0.4(10) . . . . ?
C20 N3 C27 C28 54.7(7) . . . . ?
Si2 N3 C27 C28 -106.8(6) . . . . ?
C20 N3 C27 C29 -69.6(7) . . . . ?
Si2 N3 C27 C29 128.8(5) . . . . ?
C20 N3 C27 C30 172.9(5) . . . . ?
Si2 N3 C27 C30 11.3(7) . . . . ?
C20 N4 C31 C32 -68.4(7) . . . . ?
Si2 N4 C31 C32 90.2(6) . . . . ?
C20 N4 C31 C34 172.2(5) . . . . ?
Si2 N4 C31 C34 -29.2(6) . . . . ?
C20 N4 C31 C33 53.9(7) . . . . ?
Si2 N4 C31 C33 -147.5(4) . . . . ?

_refine_diff_density_max         0.440
_refine_diff_density_min         -0.313
_refine_diff_density_rms         0.052

_shelxl_version_number           2014-3


_database_code_depnum_ccdc_archive 'CCDC 1008798'
