#------------------------------------------------------------------------------
#$Date: 2024-07-05 20:40:40 +0300 (Fri, 05 Jul 2024) $
#$Revision: 293205 $
#$URL: file:///home/coder/svn-repositories/cod/cif/7/06/31/7063158.cif $
#------------------------------------------------------------------------------
#
# This file is available in the Crystallography Open Database (COD),
# http://www.crystallography.net/
#
# All data on this site have been placed in the public domain by the
# contributors.
#
data_7063158
loop_
_publ_author_name
'Podjed, Nina'
'Košmrlj, Janez'
'Modec, Barbara'
_publ_section_title
;
 Piperidine and piperazine analogs in action: zinc(ii)-mediated formation
 of amidines
;
_journal_issue                   19
_journal_name_full               'New Journal of Chemistry'
_journal_page_first              8844
_journal_page_last               8859
_journal_paper_doi               10.1039/D4NJ00235K
_journal_volume                  48
_journal_year                    2024
_chemical_formula_moiety         'C32 H36 N6 O6 Zn, 2(C2 H3 N)'
_chemical_formula_sum            'C36 H42 N8 O6 Zn'
_chemical_formula_weight         748.14
_space_group_crystal_system      triclinic
_space_group_IT_number           2
_space_group_name_Hall           '-P 1'
_space_group_name_H-M_alt        'P -1'
_atom_sites_solution_hydrogens   mixed
_atom_sites_solution_primary     dual
_audit_creation_date             2024-04-03
_audit_creation_method
;
Olex2 1.5
(compiled 2023.08.24 svn.re1ec1418 for OlexSys, GUI svn.r6817)
;
_audit_update_record
;
2024-04-04 deposited with the CCDC.	2024-04-16 downloaded from the CCDC.
;
_cell_angle_alpha                108.531(5)
_cell_angle_beta                 108.117(5)
_cell_angle_gamma                96.396(5)
_cell_formula_units_Z            1
_cell_length_a                   8.5710(5)
_cell_length_b                   10.9044(7)
_cell_length_c                   10.9382(6)
_cell_measurement_reflns_used    3666
_cell_measurement_temperature    150.00(10)
_cell_measurement_theta_max      29.9060
_cell_measurement_theta_min      2.8550
_cell_volume                     895.82(11)
_computing_cell_refinement       'CrysAlisPro 1.171.40.68a (Rigaku OD, 2019)'
_computing_data_collection       'CrysAlisPro 1.171.40.68a (Rigaku OD, 2019)'
_computing_data_reduction        'CrysAlisPro 1.171.40.68a (Rigaku OD, 2019)'
_computing_molecular_graphics    'Olex2 1.5 (Dolomanov et al., 2009)'
_computing_publication_material  'Olex2 1.5 (Dolomanov et al., 2009)'
_computing_structure_refinement  'SHELXL 2018/3 (Sheldrick, 2015)'
_computing_structure_solution    'SHELXT 2018/2 (Sheldrick, 2018)'
_diffrn_ambient_environment      N~2~
_diffrn_ambient_temperature      150.00(10)
_diffrn_detector                 'CCD plate'
_diffrn_detector_area_resol_mean 10.4933
_diffrn_detector_type            Atlas
_diffrn_measured_fraction_theta_full 0.999
_diffrn_measured_fraction_theta_max 0.869
_diffrn_measurement_details
;
List of Runs (angles in degrees, time in seconds):

  # Type    Start    End  Width  tₑₓₚ   ω     θ     κ     φ   Frames
#--------------------------------------------------------------------------
  1  ω    -25.00  31.00   1.00   13.00    --   14.05 -77.00  90.00   56
  2  ω    -40.00  56.00   1.00   13.00    --  -14.36  57.00   0.00   96
  3  ω    -38.00  16.00   1.00   13.00    --  -14.36 -77.00  90.00   54
  4  ω    -36.00 -10.00   1.00   13.00    --  -14.36  77.00   0.00   26
  5  ω    -82.00  12.00   1.00   13.00    --  -14.36 -57.00-150.00   94
;
_diffrn_measurement_device       'four-circle diffractometer'
_diffrn_measurement_device_type  'SuperNova, Dual, Cu at home/near, Atlas'
_diffrn_measurement_method       'ω scans'
_diffrn_orient_matrix_type
'CrysAlisPro convention (1999,Acta A55,543-557)'
_diffrn_orient_matrix_UB_11      0.0184298000
_diffrn_orient_matrix_UB_12      -0.0373204000
_diffrn_orient_matrix_UB_13      0.0431269000
_diffrn_orient_matrix_UB_21      0.0870324000
_diffrn_orient_matrix_UB_22      0.0308422000
_diffrn_orient_matrix_UB_23      0.0250076000
_diffrn_orient_matrix_UB_31      -0.0101858000
_diffrn_orient_matrix_UB_32      0.0513161000
_diffrn_orient_matrix_UB_33      0.0540642000
_diffrn_radiation_monochromator  mirror
_diffrn_radiation_probe          x-ray
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_reflns_av_R_equivalents  0.0383
_diffrn_reflns_av_unetI/netI     0.0582
_diffrn_reflns_Laue_measured_fraction_full 0.999
_diffrn_reflns_Laue_measured_fraction_max 0.869
_diffrn_reflns_limit_h_max       11
_diffrn_reflns_limit_h_min       -9
_diffrn_reflns_limit_k_max       12
_diffrn_reflns_limit_k_min       -15
_diffrn_reflns_limit_l_max       14
_diffrn_reflns_limit_l_min       -13
_diffrn_reflns_number            8006
_diffrn_reflns_point_group_measured_fraction_full 0.999
_diffrn_reflns_point_group_measured_fraction_max 0.869
_diffrn_reflns_theta_full        25.242
_diffrn_reflns_theta_max         30.112
_diffrn_reflns_theta_min         2.571
_diffrn_source                   'micro-focus sealed X-ray tube'
_diffrn_source_type              'SuperNova (Mo) X-ray Source'
_exptl_absorpt_coefficient_mu    0.743
_exptl_absorpt_correction_T_max  1.00000
_exptl_absorpt_correction_T_min  0.85569
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details
;
CrysAlisPro 1.171.40.68a (Rigaku Oxford Diffraction, 2019)
Empirical absorption correction using spherical harmonics,
 implemented in SCALE3 ABSPACK scaling algorithm.
;
_exptl_crystal_colour            colourless
_exptl_crystal_density_diffrn    1.387
_exptl_crystal_description       plate
_exptl_crystal_F_000             392
_exptl_crystal_size_max          0.25
_exptl_crystal_size_mid          0.1
_exptl_crystal_size_min          0.05
_refine_diff_density_max         0.368
_refine_diff_density_min         -0.628
_refine_diff_density_rms         0.068
_refine_ls_extinction_coef       0.0072(10)
_refine_ls_extinction_expression Fc^*^=kFc[1+0.001xFc²λ³/sin(2θ)]^-1/4^
_refine_ls_extinction_method     'SHELXL-2018/3 (Sheldrick 2018)'
_refine_ls_goodness_of_fit_ref   1.059
_refine_ls_hydrogen_treatment    mixed
_refine_ls_matrix_type           full
_refine_ls_number_parameters     246
_refine_ls_number_reflns         4590
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      1.059
_refine_ls_R_factor_all          0.0479
_refine_ls_R_factor_gt           0.0397
_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)+(0.0173P)²+0.4692P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0796
_refine_ls_wR_factor_ref         0.0849
_reflns_Friedel_coverage         0.000
_reflns_number_gt                4099
_reflns_number_total             4590
_reflns_threshold_expression     'I > 2σ(I)'
_cod_data_source_file            d4nj00235k2.cif
_cod_data_source_block           6
_cod_depositor_comments
'Adding full bibliography for 7063150--7063171.cif.'
_cod_original_cell_volume        895.82(10)
_cod_database_code               7063158
_shelx_shelxl_version_number     2018/3
_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.
;
_shelx_estimated_absorpt_t_max   0.964
_shelx_estimated_absorpt_t_min   0.836
_reflns_odcompleteness_completeness 99.73
_reflns_odcompleteness_iscentric 1
_reflns_odcompleteness_theta     27.50
_olex2_refinement_description
;
1. Fixed Uiso
 At 1.2 times of:
  All C(H) groups, All C(H,H) groups
 At 1.5 times of:
  All C(H,H,H) groups
2.a Ternary CH refined with riding coordinates:
 C23(H23)
2.b Secondary CH2 refined with riding coordinates:
 C21(H21A,H21B), C22(H22C,H22D), C24(H24A,H24B), C25(H25A,H25B)
2.c Aromatic/amide H refined with riding coordinates:
 C11(H11), C12(H12), C13(H13), C14(H14), C16(H16), C17(H17)
2.d Idealised Me refined as rotating group:
 C32(H32A,H32B,H32C)
;
_oxdiff_exptl_absorpt_empirical_details
;
Empirical correction (ABSPACK) includes:
- Absorption correction using spherical harmonics
- Frame scaling
;
_oxdiff_exptl_absorpt_empirical_full_max 1.183
_oxdiff_exptl_absorpt_empirical_full_min 0.779
loop_
_space_group_symop_operation_xyz
'x, y, z'
'-x, -y, -z'
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 1.000000 0.500000 0.500000 0.01200(9) Uani 1 2 d S . P . .
O1 O 1.07086(16) 0.43030(11) 0.33456(12) 0.0141(3) Uani 1 1 d . . . . .
O2 O 0.23169(18) 0.00165(13) 0.05262(17) 0.0317(4) Uani 1 1 d . . . . .
O11 O 1.04990(19) 0.43981(13) 0.12991(13) 0.0217(3) Uani 1 1 d . . . . .
N1 N 0.93671(18) 0.64441(13) 0.39555(14) 0.0123(3) Uani 1 1 d . . . . .
N2 N 0.7419(2) 0.37036(14) 0.38344(15) 0.0151(3) Uani 1 1 d . . . . .
H2 H 0.731(3) 0.344(2) 0.446(3) 0.040(7) Uiso 1 1 d . . . . .
N22 N 0.1058(2) 0.17309(17) 0.08504(17) 0.0193(3) Uani 1 1 d . . . . .
H22A H 0.112(3) 0.253(3) 0.111(2) 0.036(7) Uiso 1 1 d . . . . .
H22B H 0.012(3) 0.119(2) 0.047(2) 0.037(7) Uiso 1 1 d . . . . .
C10 C 0.8730(2) 0.75575(16) 0.42927(17) 0.0140(3) Uani 1 1 d . . . . .
C11 C 0.8502(2) 0.80319(17) 0.55769(18) 0.0170(4) Uani 1 1 d . . . . .
H11 H 0.875557 0.758040 0.617938 0.020 Uiso 1 1 calc R U . . .
C12 C 0.7906(3) 0.91563(18) 0.5927(2) 0.0213(4) Uani 1 1 d . . . . .
H12 H 0.776890 0.946682 0.677401 0.026 Uiso 1 1 calc R U . . .
C13 C 0.7497(3) 0.98551(19) 0.5025(2) 0.0252(4) Uani 1 1 d . . . . .
H13 H 0.708963 1.061559 0.527914 0.030 Uiso 1 1 calc R U . . .
C14 C 0.7699(3) 0.94117(19) 0.3781(2) 0.0236(4) Uani 1 1 d . . . . .
H14 H 0.742595 0.987137 0.318816 0.028 Uiso 1 1 calc R U . . .
C15 C 0.8323(2) 0.82579(17) 0.33864(18) 0.0175(4) Uani 1 1 d . . . . .
C16 C 0.8572(3) 0.77719(19) 0.21134(19) 0.0220(4) Uani 1 1 d . . . . .
H16 H 0.831421 0.821022 0.149864 0.026 Uiso 1 1 calc R U . . .
C17 C 0.9187(3) 0.66655(18) 0.17908(18) 0.0191(4) Uani 1 1 d . . . . .
H17 H 0.934327 0.633237 0.095333 0.023 Uiso 1 1 calc R U . . .
C18 C 0.9583(2) 0.60325(16) 0.27517(17) 0.0140(3) Uani 1 1 d . . . . .
C19 C 1.0322(2) 0.48160(17) 0.24325(17) 0.0141(3) Uani 1 1 d . . . . .
C21 C 0.6058(2) 0.43644(18) 0.3426(2) 0.0247(4) Uani 1 1 d . . . . .
H21A H 0.620904 0.470544 0.274207 0.030 Uiso 1 1 calc R U . . .
H21B H 0.614092 0.511665 0.422996 0.030 Uiso 1 1 calc R U . . .
C22 C 0.4293(3) 0.34520(19) 0.2823(2) 0.0266(5) Uani 1 1 d . . . . .
H22C H 0.345604 0.393006 0.252113 0.032 Uiso 1 1 calc R U . . .
H22D H 0.407953 0.318893 0.353475 0.032 Uiso 1 1 calc R U . . .
C23 C 0.4130(2) 0.22105(17) 0.15938(17) 0.0155(4) Uani 1 1 d . . . . .
H23 H 0.428818 0.250636 0.087392 0.019 Uiso 1 1 calc R U . . .
C24 C 0.5541(3) 0.15363(19) 0.2037(2) 0.0285(5) Uani 1 1 d . . . . .
H24A H 0.549467 0.079085 0.124173 0.034 Uiso 1 1 calc R U . . .
H24B H 0.538863 0.119399 0.271977 0.034 Uiso 1 1 calc R U . . .
C25 C 0.7263(3) 0.25034(19) 0.2654(2) 0.0268(5) Uani 1 1 d . . . . .
H25A H 0.813111 0.205074 0.296045 0.032 Uiso 1 1 calc R U . . .
H25B H 0.745741 0.276996 0.193805 0.032 Uiso 1 1 calc R U . . .
C26 C 0.2408(2) 0.12277(17) 0.09502(17) 0.0164(4) Uani 1 1 d . . . . .
N3 N 1.3784(3) 0.70438(19) 0.3786(2) 0.0354(5) Uani 1 1 d . . . . .
C31 C 1.3629(3) 0.7076(2) 0.2729(2) 0.0303(5) Uani 1 1 d . . . . .
C32 C 1.3394(4) 0.7115(3) 0.1359(3) 0.0567(9) Uani 1 1 d . . . . .
H32A H 1.235990 0.650112 0.069063 0.085 Uiso 1 1 calc R U . . .
H32B H 1.432283 0.687054 0.110355 0.085 Uiso 1 1 calc R U . . .
H32C H 1.334433 0.799729 0.138536 0.085 Uiso 1 1 calc R U . . .
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'
Zn Zn 0.2839 1.4301 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
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
O1 Zn1 O1 180.0 . 2_766 ?
O1 Zn1 N1 78.24(5) 2_766 2_766 ?
O1 Zn1 N1 101.76(5) 2_766 . ?
O1 Zn1 N1 101.76(5) . 2_766 ?
O1 Zn1 N1 78.24(5) . . ?
O1 Zn1 N2 87.72(5) . 2_766 ?
O1 Zn1 N2 92.28(5) . . ?
O1 Zn1 N2 87.72(5) 2_766 . ?
O1 Zn1 N2 92.28(5) 2_766 2_766 ?
N1 Zn1 N1 180.0 2_766 . ?
N2 Zn1 N1 91.65(5) . . ?
N2 Zn1 N1 91.64(5) 2_766 2_766 ?
N2 Zn1 N1 88.36(5) . 2_766 ?
N2 Zn1 N1 88.36(5) 2_766 . ?
N2 Zn1 N2 180.0 2_766 . ?
C19 O1 Zn1 117.64(11) . . ?
C10 N1 Zn1 132.35(11) . . ?
C18 N1 Zn1 109.16(11) . . ?
C18 N1 C10 118.34(15) . . ?
Zn1 N2 H2 98.4(17) . . ?
C21 N2 Zn1 116.43(11) . . ?
C21 N2 H2 108.4(18) . . ?
C21 N2 C25 110.22(15) . . ?
C25 N2 Zn1 115.23(12) . . ?
C25 N2 H2 106.8(16) . . ?
H22A N22 H22B 121(3) . . ?
C26 N22 H22A 122.4(18) . . ?
C26 N22 H22B 116.9(18) . . ?
N1 C10 C11 119.76(16) . . ?
N1 C10 C15 121.13(15) . . ?
C11 C10 C15 119.10(17) . . ?
C10 C11 H11 120.1 . . ?
C12 C11 C10 119.77(17) . . ?
C12 C11 H11 120.1 . . ?
C11 C12 H12 119.4 . . ?
C11 C12 C13 121.28(18) . . ?
C13 C12 H12 119.4 . . ?
C12 C13 H13 120.1 . . ?
C14 C13 C12 119.89(19) . . ?
C14 C13 H13 120.1 . . ?
C13 C14 H14 119.7 . . ?
C13 C14 C15 120.50(18) . . ?
C15 C14 H14 119.7 . . ?
C14 C15 C10 119.46(17) . . ?
C14 C15 C16 122.39(17) . . ?
C16 C15 C10 118.15(17) . . ?
C15 C16 H16 120.0 . . ?
C17 C16 C15 119.99(18) . . ?
C17 C16 H16 120.0 . . ?
C16 C17 H17 120.7 . . ?
C16 C17 C18 118.63(17) . . ?
C18 C17 H17 120.7 . . ?
N1 C18 C17 123.76(17) . . ?
N1 C18 C19 116.65(15) . . ?
C17 C18 C19 119.59(15) . . ?
O1 C19 C18 117.46(14) . . ?
O11 C19 O1 124.91(17) . . ?
O11 C19 C18 117.64(16) . . ?
N2 C21 H21A 108.9 . . ?
N2 C21 H21B 108.9 . . ?
N2 C21 C22 113.52(16) . . ?
H21A C21 H21B 107.7 . . ?
C22 C21 H21A 108.9 . . ?
C22 C21 H21B 108.9 . . ?
C21 C22 H22C 109.5 . . ?
C21 C22 H22D 109.5 . . ?
C21 C22 C23 110.80(16) . . ?
H22C C22 H22D 108.1 . . ?
C23 C22 H22C 109.5 . . ?
C23 C22 H22D 109.5 . . ?
C22 C23 H23 107.5 . . ?
C22 C23 C26 114.05(15) . . ?
C24 C23 C22 109.28(16) . . ?
C24 C23 H23 107.5 . . ?
C24 C23 C26 110.88(15) . . ?
C26 C23 H23 107.5 . . ?
C23 C24 H24A 109.4 . . ?
C23 C24 H24B 109.4 . . ?
C23 C24 C25 111.15(16) . . ?
H24A C24 H24B 108.0 . . ?
C25 C24 H24A 109.4 . . ?
C25 C24 H24B 109.4 . . ?
N2 C25 C24 113.10(16) . . ?
N2 C25 H25A 109.0 . . ?
N2 C25 H25B 109.0 . . ?
C24 C25 H25A 109.0 . . ?
C24 C25 H25B 109.0 . . ?
H25A C25 H25B 107.8 . . ?
O2 C26 N22 122.66(17) . . ?
O2 C26 C23 119.98(17) . . ?
N22 C26 C23 117.34(16) . . ?
N3 C31 C32 178.9(3) . . ?
C31 C32 H32A 109.5 . . ?
C31 C32 H32B 109.5 . . ?
C31 C32 H32C 109.5 . . ?
H32A C32 H32B 109.5 . . ?
H32A C32 H32C 109.5 . . ?
H32B C32 H32C 109.5 . . ?
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 O1 2.0331(11) . ?
Zn1 O1 2.0331(11) 2_766 ?
Zn1 N1 2.2422(15) 2_766 ?
Zn1 N1 2.2422(15) . ?
Zn1 N2 2.2186(15) . ?
Zn1 N2 2.2186(15) 2_766 ?
O1 C19 1.269(2) . ?
O2 C26 1.237(2) . ?
O11 C19 1.241(2) . ?
N1 C10 1.377(2) . ?
N1 C18 1.328(2) . ?
N2 H2 0.85(3) . ?
N2 C21 1.465(3) . ?
N2 C25 1.476(2) . ?
N22 H22A 0.82(3) . ?
N22 H22B 0.84(3) . ?
N22 C26 1.324(3) . ?
C10 C11 1.418(2) . ?
C10 C15 1.419(2) . ?
C11 H11 0.9300 . ?
C11 C12 1.368(3) . ?
C12 H12 0.9300 . ?
C12 C13 1.414(3) . ?
C13 H13 0.9300 . ?
C13 C14 1.365(3) . ?
C14 H14 0.9300 . ?
C14 C15 1.415(3) . ?
C15 C16 1.416(3) . ?
C16 H16 0.9300 . ?
C16 C17 1.358(3) . ?
C17 H17 0.9300 . ?
C17 C18 1.410(2) . ?
C18 C19 1.521(3) . ?
C21 H21A 0.9700 . ?
C21 H21B 0.9700 . ?
C21 C22 1.530(3) . ?
C22 H22C 0.9700 . ?
C22 H22D 0.9700 . ?
C22 C23 1.531(2) . ?
C23 H23 0.9800 . ?
C23 C24 1.516(3) . ?
C23 C26 1.531(2) . ?
C24 H24A 0.9700 . ?
C24 H24B 0.9700 . ?
C24 C25 1.525(3) . ?
C25 H25A 0.9700 . ?
C25 H25B 0.9700 . ?
N3 C31 1.135(3) . ?
C31 C32 1.463(3) . ?
C32 H32A 0.9600 . ?
C32 H32B 0.9600 . ?
C32 H32C 0.9600 . ?
loop_
_geom_hbond_atom_site_label_D
_geom_hbond_atom_site_label_H
_geom_hbond_atom_site_label_A
_geom_hbond_distance_DH
_geom_hbond_distance_HA
_geom_hbond_distance_DA
_geom_hbond_angle_DHA
_geom_hbond_site_symmetry_A
_geom_hbond_publ_flag
N22 H22A O11 0.82(3) 2.12(3) 2.912(2) 162(3) 1_455 yes
N22 H22B O2 0.84(3) 2.08(3) 2.916(2) 174(3) 2 yes
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 O1 C19 O11 -171.56(14) . . . . ?
Zn1 O1 C19 C18 8.3(2) . . . . ?
Zn1 N1 C10 C11 5.8(2) . . . . ?
Zn1 N1 C10 C15 -175.35(12) . . . . ?
Zn1 N1 C18 C17 175.59(14) . . . . ?
Zn1 N1 C18 C19 -5.17(18) . . . . ?
Zn1 N2 C21 C22 -171.34(13) . . . . ?
Zn1 N2 C25 C24 170.59(14) . . . . ?
N1 C10 C11 C12 178.44(17) . . . . ?
N1 C10 C15 C14 -178.85(17) . . . . ?
N1 C10 C15 C16 0.7(3) . . . . ?
N1 C18 C19 O1 -1.4(2) . . . . ?
N1 C18 C19 O11 178.46(15) . . . . ?
N2 C21 C22 C23 -55.6(2) . . . . ?
C10 N1 C18 C17 -0.4(3) . . . . ?
C10 N1 C18 C19 178.83(14) . . . . ?
C10 C11 C12 C13 0.6(3) . . . . ?
C10 C15 C16 C17 -0.1(3) . . . . ?
C11 C10 C15 C14 0.0(3) . . . . ?
C11 C10 C15 C16 179.56(16) . . . . ?
C11 C12 C13 C14 -0.3(3) . . . . ?
C12 C13 C14 C15 -0.2(3) . . . . ?
C13 C14 C15 C10 0.3(3) . . . . ?
C13 C14 C15 C16 -179.23(19) . . . . ?
C14 C15 C16 C17 179.45(19) . . . . ?
C15 C10 C11 C12 -0.4(3) . . . . ?
C15 C16 C17 C18 -0.7(3) . . . . ?
C16 C17 C18 N1 1.0(3) . . . . ?
C16 C17 C18 C19 -178.20(17) . . . . ?
C17 C18 C19 O1 177.84(16) . . . . ?
C17 C18 C19 O11 -2.3(3) . . . . ?
C18 N1 C10 C11 -179.30(15) . . . . ?
C18 N1 C10 C15 -0.5(2) . . . . ?
C21 N2 C25 C24 -55.1(2) . . . . ?
C21 C22 C23 C24 54.0(2) . . . . ?
C21 C22 C23 C26 178.68(17) . . . . ?
C22 C23 C24 C25 -54.5(2) . . . . ?
C22 C23 C26 O2 -142.45(19) . . . . ?
C22 C23 C26 N22 38.8(2) . . . . ?
C23 C24 C25 N2 56.4(2) . . . . ?
C24 C23 C26 O2 -18.6(2) . . . . ?
C24 C23 C26 N22 162.70(17) . . . . ?
C25 N2 C21 C22 55.0(2) . . . . ?
C26 C23 C24 C25 178.93(16) . . . . ?
