#------------------------------------------------------------------------------
#$Date: 2016-03-21 14:21:25 +0200 (Mon, 21 Mar 2016) $
#$Revision: 178714 $
#$URL: svn://www.crystallography.net/cod/cif/4/08/25/4082598.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_4082598
loop_
_publ_author_name
'Rajendran, N. M.'
'Haleel, A.'
'Reddy, N. Dastagiri'
_publ_section_title
;
 Copolymerization of CO2and Cyclohexene Oxide: β-Diketiminate-Supported
 Zn(II)OMe and Zn(II)Et Complexes as Initiators
;
_journal_issue                   1
_journal_name_full               Organometallics
_journal_page_first              217
_journal_paper_doi               10.1021/om400977c
_journal_volume                  33
_journal_year                    2014
_chemical_formula_sum            'C28 H34 N4 O Zn'
_chemical_formula_weight         507.96
_chemical_name_systematic
; 
 ? 
;
_space_group_IT_number           2
_symmetry_cell_setting           triclinic
_symmetry_space_group_name_Hall  '-P 1'
_symmetry_space_group_name_H-M   'P -1'
_atom_sites_solution_hydrogens   geom
_atom_sites_solution_primary     direct
_atom_sites_solution_secondary   difmap
_audit_creation_method           SHELXL-97
_cell_angle_alpha                113.640(5)
_cell_angle_beta                 98.647(5)
_cell_angle_gamma                104.575(5)
_cell_formula_units_Z            2
_cell_length_a                   8.7460(9)
_cell_length_b                   12.9964(13)
_cell_length_c                   13.6586(14)
_cell_measurement_reflns_used    7629
_cell_measurement_temperature    253(2)
_cell_measurement_theta_max      30.15
_cell_measurement_theta_min      2.54
_cell_volume                     1320.0(2)
_computing_cell_refinement       'APEX2/SAINT (Bruker, 2004)'
_computing_data_collection       'APEX2 (Bruker, 2004)'
_computing_data_reduction        'SAINT/XPREP (Bruker, 2004)'
_computing_molecular_graphics
'ORTEP3 (Farrugia, 1997) and Mercury (Bruno et al., 2002)'
_computing_publication_material  'SHELXL-97 (Sheldrick, 1997)'
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 1997)'
_computing_structure_solution    'SIR92 (Altornare et al., 1993)'
_diffrn_ambient_temperature      253(2)
_diffrn_measured_fraction_theta_full 1.000
_diffrn_measured_fraction_theta_max 0.923
_diffrn_measurement_device_type  'bruker axs kappa apex2 CCD Diffractometer'
_diffrn_measurement_method       'ω and φ scan'
_diffrn_radiation_monochromator  graphite
_diffrn_radiation_source         'fine-focus sealed tube'
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_reflns_av_R_equivalents  0.0308
_diffrn_reflns_av_sigmaI/netI    0.0383
_diffrn_reflns_limit_h_max       13
_diffrn_reflns_limit_h_min       -12
_diffrn_reflns_limit_k_max       19
_diffrn_reflns_limit_k_min       -20
_diffrn_reflns_limit_l_max       19
_diffrn_reflns_limit_l_min       -21
_diffrn_reflns_number            35686
_diffrn_reflns_theta_full        25.00
_diffrn_reflns_theta_max         34.77
_diffrn_reflns_theta_min         1.70
_exptl_absorpt_coefficient_mu    0.957
_exptl_absorpt_correction_T_max  0.8698
_exptl_absorpt_correction_T_min  0.7959
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   'SADABS (Bruker 1999)'
_exptl_crystal_colour            colourless
_exptl_crystal_density_diffrn    1.278
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       Diamond
_exptl_crystal_F_000             536
_exptl_crystal_size_max          0.25
_exptl_crystal_size_mid          0.20
_exptl_crystal_size_min          0.15
_refine_diff_density_max         0.524
_refine_diff_density_min         -0.571
_refine_diff_density_rms         0.117
_refine_ls_extinction_coef       0.0072(14)
_refine_ls_extinction_expression Fc^*^=kFc[1+0.001xFc²λ³/sin(2θ)]^-1/4^
_refine_ls_extinction_method     SHELXL
_refine_ls_goodness_of_fit_ref   1.091
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     315
_refine_ls_number_reflns         10537
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      1.091
_refine_ls_R_factor_all          0.0667
_refine_ls_R_factor_gt           0.0387
_refine_ls_shift/su_max          0.005
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'calc w=1/[σ²(Fo²)+(0.0660P)²+0.0739P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1031
_refine_ls_wR_factor_ref         0.1216
_reflns_number_gt                7677
_reflns_number_total             10537
_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            om400977c_si_002.cif
_cod_data_source_block           Compound3
_cod_original_sg_symbol_H-M      P-1
_cod_database_code               4082598
loop_
_symmetry_equiv_pos_as_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_symmetry_multiplicity
_atom_site_calc_flag
_atom_site_refinement_flags
C1 C 0.1355(2) 0.22239(14) 0.34137(13) 0.0351(3) Uani 1 1 d .
C2 C 0.2520(2) 0.31922(14) 0.43640(14) 0.0394(3) Uani 1 1 d .
H2 H 0.3288 0.3722 0.4229 0.047 Uiso 1 1 calc R
C3 C 0.2701(2) 0.34828(13) 0.54888(13) 0.0359(3) Uani 1 1 d .
C4 C -0.09921(19) 0.04739(13) 0.24182(12) 0.0317(3) Uani 1 1 d .
C5 C -0.2474(2) 0.07032(14) 0.22963(14) 0.0378(3) Uani 1 1 d .
C6 C -0.3752(2) -0.00737(16) 0.13350(15) 0.0437(4) Uani 1 1 d .
H6 H -0.4744 0.0064 0.1237 0.052 Uiso 1 1 calc R
C7 C -0.3558(2) -0.10581(15) 0.05159(14) 0.0413(4) Uani 1 1 d .
C8 C -0.2088(2) -0.12691(15) 0.06455(14) 0.0406(4) Uani 1 1 d .
H8 H -0.1970 -0.1923 0.0085 0.049 Uiso 1 1 calc R
C9 C -0.0785(2) -0.05181(14) 0.15997(13) 0.0355(3) Uani 1 1 d .
C10 C 0.20333(19) 0.31825(12) 0.69967(12) 0.0330(3) Uani 1 1 d .
C11 C 0.3341(2) 0.31271(14) 0.76803(13) 0.0370(3) Uani 1 1 d .
C12 C 0.3464(2) 0.35341(15) 0.88054(14) 0.0402(3) Uani 1 1 d .
H12 H 0.4338 0.3521 0.9276 0.048 Uiso 1 1 calc R
C13 C 0.2275(2) 0.39624(14) 0.92290(13) 0.0407(4) Uani 1 1 d .
C14 C 0.0976(2) 0.39993(15) 0.85436(14) 0.0430(4) Uani 1 1 d .
H14 H 0.0192 0.4287 0.8841 0.052 Uiso 1 1 calc R
C15 C 0.0832(2) 0.36118(14) 0.74183(14) 0.0384(3) Uani 1 1 d .
C16 C -0.2670(3) 0.17763(19) 0.31932(17) 0.0541(5) Uani 1 1 d .
H16A H -0.2007 0.1934 0.3908 0.065 Uiso 1 1 calc R
H16B H -0.2225 0.2465 0.3073 0.065 Uiso 1 1 calc R
C17 C -0.4396(3) 0.1672(3) 0.3262(2) 0.0782(7) Uani 1 1 d .
H17A H -0.5033 0.1631 0.2602 0.117 Uiso 1 1 calc R
H17B H -0.4371 0.2358 0.3904 0.117 Uiso 1 1 calc R
H17C H -0.4887 0.0960 0.3324 0.117 Uiso 1 1 calc R
C18 C 0.0787(2) -0.07834(17) 0.17497(16) 0.0480(4) Uani 1 1 d .
H18A H 0.0652 -0.1357 0.2044 0.058 Uiso 1 1 calc R
H18B H 0.1660 -0.0053 0.2303 0.058 Uiso 1 1 calc R
C19 C 0.1330(3) -0.1270(3) 0.0711(2) 0.0699(7) Uani 1 1 d .
H19A H 0.0539 -0.2041 0.0187 0.105 Uiso 1 1 calc R
H19B H 0.2385 -0.1345 0.0898 0.105 Uiso 1 1 calc R
H19C H 0.1410 -0.0733 0.0385 0.105 Uiso 1 1 calc R
C20 C -0.4935(3) -0.19098(19) -0.04377(17) 0.0553(5) Uani 1 1 d .
C21 C 0.4597(3) 0.2645(2) 0.71853(16) 0.0541(5) Uani 1 1 d .
H21A H 0.4010 0.1933 0.6483 0.065 Uiso 1 1 calc R
H21B H 0.5274 0.3234 0.7019 0.065 Uiso 1 1 calc R
C22 C 0.5714(3) 0.2334(2) 0.7873(2) 0.0620(6) Uani 1 1 d .
H22A H 0.6353 0.3037 0.8557 0.093 Uiso 1 1 calc R
H22B H 0.6438 0.2026 0.7468 0.093 Uiso 1 1 calc R
H22C H 0.5069 0.1739 0.8036 0.093 Uiso 1 1 calc R
C23 C -0.0583(3) 0.36786(19) 0.66949(17) 0.0515(4) Uani 1 1 d .
H23A H -0.1496 0.3631 0.7019 0.062 Uiso 1 1 calc R
H23B H -0.0941 0.2989 0.5966 0.062 Uiso 1 1 calc R
C24 C -0.0183(4) 0.4801(3) 0.6548(3) 0.0849(8) Uani 1 1 d .
H24A H 0.0358 0.5487 0.7262 0.127 Uiso 1 1 calc R
H24B H -0.1183 0.4861 0.6216 0.127 Uiso 1 1 calc R
H24C H 0.0529 0.4765 0.6075 0.127 Uiso 1 1 calc R
C26 C 0.1272(3) 0.23070(18) 0.23391(15) 0.0511(5) Uani 1 1 d .
H26A H 0.1343 0.1592 0.1783 0.077 Uiso 1 1 calc R
H26B H 0.2173 0.2986 0.2458 0.077 Uiso 1 1 calc R
H26C H 0.0249 0.2396 0.2091 0.077 Uiso 1 1 calc R
C25 C 0.2360(3) 0.43051(16) 1.03853(15) 0.0481(4) Uani 1 1 d .
C27 C 0.3890(3) 0.47185(16) 0.63220(16) 0.0521(5) Uani 1 1 d .
H27A H 0.3519 0.5008 0.6975 0.078 Uiso 1 1 calc R
H27B H 0.3938 0.5252 0.5995 0.078 Uiso 1 1 calc R
H27C H 0.4966 0.4679 0.6524 0.078 Uiso 1 1 calc R
C28 C -0.2764(3) 0.0377(2) 0.5324(2) 0.0602(5) Uani 1 1 d .
H28A H -0.2499 0.1172 0.5908 0.090 Uiso 1 1 calc R
H28B H -0.3322 -0.0193 0.5546 0.090 Uiso 1 1 calc R
H28C H -0.3466 0.0281 0.4658 0.090 Uiso 1 1 calc R
N1 N 0.03215(16) 0.12779(11) 0.34138(10) 0.0313(2) Uani 1 1 d .
N2 N 0.18754(16) 0.27531(11) 0.58341(10) 0.0319(2) Uani 1 1 d .
N3 N -0.6025(3) -0.2614(2) -0.11836(18) 0.0827(7) Uani 1 1 d .
N4 N 0.2409(3) 0.45497(17) 1.12932(15) 0.0640(5) Uani 1 1 d .
O1 O -0.13322(13) 0.01897(9) 0.51205(10) 0.0345(2) Uani 1 1 d .
Zn1 Zn 0.050070(19) 0.106129(13) 0.477985(13) 0.02804(6) Uani 1 1 d .
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
N1 C1 C2 124.39(14) . .
N1 C1 C26 119.56(14) . .
C2 C1 C26 116.03(14) . .
C1 C2 C3 129.56(14) . .
C1 C2 H2 115.2 . .
C3 C2 H2 115.2 . .
N2 C3 C2 123.56(14) . .
N2 C3 C27 120.46(15) . .
C2 C3 C27 115.97(14) . .
C5 C4 C9 121.68(14) . .
C5 C4 N1 118.21(13) . .
C9 C4 N1 120.10(14) . .
C6 C5 C4 118.48(15) . .
C6 C5 C16 120.81(16) . .
C4 C5 C16 120.71(15) . .
C5 C6 C7 120.32(16) . .
C5 C6 H6 119.8 . .
C7 C6 H6 119.8 . .
C8 C7 C6 120.54(15) . .
C8 C7 C20 119.57(17) . .
C6 C7 C20 119.75(17) . .
C7 C8 C9 120.87(16) . .
C7 C8 H8 119.6 . .
C9 C8 H8 119.6 . .
C8 C9 C4 118.10(15) . .
C8 C9 C18 120.36(15) . .
C4 C9 C18 121.54(14) . .
C11 C10 C15 121.58(14) . .
C11 C10 N2 119.60(14) . .
C15 C10 N2 118.79(14) . .
C12 C11 C10 118.84(15) . .
C12 C11 C21 121.48(16) . .
C10 C11 C21 119.67(15) . .
C11 C12 C13 119.82(16) . .
C11 C12 H12 120.1 . .
C13 C12 H12 120.1 . .
C14 C13 C12 120.87(15) . .
C14 C13 C25 119.98(16) . .
C12 C13 C25 119.05(17) . .
C13 C14 C15 120.59(16) . .
C13 C14 H14 119.7 . .
C15 C14 H14 119.7 . .
C14 C15 C10 118.28(16) . .
C14 C15 C23 119.43(15) . .
C10 C15 C23 122.29(15) . .
C17 C16 C5 116.21(19) . .
C17 C16 H16A 108.2 . .
C5 C16 H16A 108.2 . .
C17 C16 H16B 108.2 . .
C5 C16 H16B 108.2 . .
H16A C16 H16B 107.4 . .
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 . .
C9 C18 C19 115.44(17) . .
C9 C18 H18A 108.4 . .
C19 C18 H18A 108.4 . .
C9 C18 H18B 108.4 . .
C19 C18 H18B 108.4 . .
H18A C18 H18B 107.5 . .
C18 C19 H19A 109.5 . .
C18 C19 H19B 109.5 . .
H19A C19 H19B 109.5 . .
C18 C19 H19C 109.5 . .
H19A C19 H19C 109.5 . .
H19B C19 H19C 109.5 . .
N3 C20 C7 177.7(2) . .
C22 C21 C11 117.10(17) . .
C22 C21 H21A 108.0 . .
C11 C21 H21A 108.0 . .
C22 C21 H21B 108.0 . .
C11 C21 H21B 108.0 . .
H21A C21 H21B 107.3 . .
C21 C22 H22A 109.5 . .
C21 C22 H22B 109.5 . .
H22A C22 H22B 109.5 . .
C21 C22 H22C 109.5 . .
H22A C22 H22C 109.5 . .
H22B C22 H22C 109.5 . .
C15 C23 C24 114.29(19) . .
C15 C23 H23A 108.7 . .
C24 C23 H23A 108.7 . .
C15 C23 H23B 108.7 . .
C24 C23 H23B 108.7 . .
H23A C23 H23B 107.6 . .
C23 C24 H24A 109.5 . .
C23 C24 H24B 109.5 . .
H24A C24 H24B 109.5 . .
C23 C24 H24C 109.5 . .
H24A C24 H24C 109.5 . .
H24B C24 H24C 109.5 . .
C1 C26 H26A 109.5 . .
C1 C26 H26B 109.5 . .
H26A C26 H26B 109.5 . .
C1 C26 H26C 109.5 . .
H26A C26 H26C 109.5 . .
H26B C26 H26C 109.5 . .
N4 C25 C13 178.5(2) . .
C3 C27 H27A 109.5 . .
C3 C27 H27B 109.5 . .
H27A C27 H27B 109.5 . .
C3 C27 H27C 109.5 . .
H27A C27 H27C 109.5 . .
H27B C27 H27C 109.5 . .
O1 C28 H28A 109.5 . .
O1 C28 H28B 109.5 . .
H28A C28 H28B 109.5 . .
O1 C28 H28C 109.5 . .
H28A C28 H28C 109.5 . .
H28B C28 H28C 109.5 . .
C1 N1 C4 117.35(12) . .
C1 N1 Zn1 121.07(10) . .
C4 N1 Zn1 121.42(9) . .
C3 N2 C10 118.91(12) . .
C3 N2 Zn1 121.63(10) . .
C10 N2 Zn1 119.41(9) . .
C28 O1 Zn1 133.02(12) . .
C28 O1 Zn1 127.35(12) . 2_556
Zn1 O1 Zn1 99.49(5) . 2_556
O1 Zn1 O1 80.51(5) . 2_556
O1 Zn1 N1 124.73(5) . .
O1 Zn1 N1 119.96(5) 2_556 .
O1 Zn1 N2 121.21(5) . .
O1 Zn1 N2 116.76(5) 2_556 .
N1 Zn1 N2 95.82(5) . .
O1 Zn1 Zn1 40.67(3) . 2_556
O1 Zn1 Zn1 39.84(3) 2_556 2_556
N1 Zn1 Zn1 134.43(4) . 2_556
N2 Zn1 Zn1 129.36(4) . 2_556
loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_site_symmetry_2
C1 N1 1.3301(19) .
C1 C2 1.398(2) .
C1 C26 1.507(2) .
C2 C3 1.400(2) .
C2 H2 0.9300 .
C3 N2 1.327(2) .
C3 C27 1.514(2) .
C4 C5 1.402(2) .
C4 C9 1.403(2) .
C4 N1 1.4309(19) .
C5 C6 1.386(2) .
C5 C16 1.513(2) .
C6 C7 1.391(3) .
C6 H6 0.9300 .
C7 C8 1.381(3) .
C7 C20 1.440(2) .
C8 C9 1.387(2) .
C8 H8 0.9300 .
C9 C18 1.504(2) .
C10 C11 1.400(2) .
C10 C15 1.402(2) .
C10 N2 1.4271(19) .
C11 C12 1.387(2) .
C11 C21 1.512(2) .
C12 C13 1.393(2) .
C12 H12 0.9300 .
C13 C14 1.383(3) .
C13 C25 1.443(2) .
C14 C15 1.386(2) .
C14 H14 0.9300 .
C15 C23 1.507(3) .
C16 C17 1.502(3) .
C16 H16A 0.9700 .
C16 H16B 0.9700 .
C17 H17A 0.9600 .
C17 H17B 0.9600 .
C17 H17C 0.9600 .
C18 C19 1.507(3) .
C18 H18A 0.9700 .
C18 H18B 0.9700 .
C19 H19A 0.9600 .
C19 H19B 0.9600 .
C19 H19C 0.9600 .
C20 N3 1.143(3) .
C21 C22 1.492(3) .
C21 H21A 0.9700 .
C21 H21B 0.9700 .
C22 H22A 0.9600 .
C22 H22B 0.9600 .
C22 H22C 0.9600 .
C23 C24 1.512(3) .
C23 H23A 0.9700 .
C23 H23B 0.9700 .
C24 H24A 0.9600 .
C24 H24B 0.9600 .
C24 H24C 0.9600 .
C26 H26A 0.9600 .
C26 H26B 0.9600 .
C26 H26C 0.9600 .
C25 N4 1.141(2) .
C27 H27A 0.9600 .
C27 H27B 0.9600 .
C27 H27C 0.9600 .
C28 O1 1.381(2) .
C28 H28A 0.9600 .
C28 H28B 0.9600 .
C28 H28C 0.9600 .
N1 Zn1 1.9851(12) .
N2 Zn1 1.9908(12) .
O1 Zn1 1.9500(10) .
O1 Zn1 1.9834(10) 2_556
Zn1 O1 1.9833(10) 2_556
Zn1 Zn1 3.0019(4) 2_556
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_4
N1 C1 C2 C3 -10.9(3) . .
C26 C1 C2 C3 167.45(19) . .
C1 C2 C3 N2 9.8(3) . .
C1 C2 C3 C27 -168.73(18) . .
C9 C4 C5 C6 -0.4(2) . .
N1 C4 C5 C6 -179.86(15) . .
C9 C4 C5 C16 179.73(17) . .
N1 C4 C5 C16 0.3(2) . .
C4 C5 C6 C7 0.2(3) . .
C16 C5 C6 C7 -179.96(18) . .
C5 C6 C7 C8 -0.5(3) . .
C5 C6 C7 C20 175.13(18) . .
C6 C7 C8 C9 1.1(3) . .
C20 C7 C8 C9 -174.58(17) . .
C7 C8 C9 C4 -1.2(2) . .
C7 C8 C9 C18 177.71(17) . .
C5 C4 C9 C8 0.9(2) . .
N1 C4 C9 C8 -179.62(14) . .
C5 C4 C9 C18 -178.01(16) . .
N1 C4 C9 C18 1.4(2) . .
C15 C10 C11 C12 -1.5(2) . .
N2 C10 C11 C12 -179.18(14) . .
C15 C10 C11 C21 179.33(16) . .
N2 C10 C11 C21 1.7(2) . .
C10 C11 C12 C13 1.4(2) . .
C21 C11 C12 C13 -179.44(17) . .
C11 C12 C13 C14 -0.6(3) . .
C11 C12 C13 C25 175.77(16) . .
C12 C13 C14 C15 -0.1(3) . .
C25 C13 C14 C15 -176.50(16) . .
C13 C14 C15 C10 0.1(2) . .
C13 C14 C15 C23 -179.14(17) . .
C11 C10 C15 C14 0.8(2) . .
N2 C10 C15 C14 178.45(14) . .
C11 C10 C15 C23 179.95(16) . .
N2 C10 C15 C23 -2.4(2) . .
C6 C5 C16 C17 26.6(3) . .
C4 C5 C16 C17 -153.6(2) . .
C8 C9 C18 C19 38.3(3) . .
C4 C9 C18 C19 -142.81(19) . .
C8 C7 C20 N3 58(7) . .
C6 C7 C20 N3 -118(7) . .
C12 C11 C21 C22 15.1(3) . .
C10 C11 C21 C22 -165.78(18) . .
C14 C15 C23 C24 94.5(2) . .
C10 C15 C23 C24 -84.7(2) . .
C14 C13 C25 N4 95(9) . .
C12 C13 C25 N4 -82(9) . .
C2 C1 N1 C4 168.66(15) . .
C26 C1 N1 C4 -9.6(2) . .
C2 C1 N1 Zn1 -6.8(2) . .
C26 C1 N1 Zn1 174.92(13) . .
C5 C4 N1 C1 -88.50(18) . .
C9 C4 N1 C1 92.04(17) . .
C5 C4 N1 Zn1 86.98(15) . .
C9 C4 N1 Zn1 -92.48(15) . .
C2 C3 N2 C10 -173.90(15) . .
C27 C3 N2 C10 4.6(2) . .
C2 C3 N2 Zn1 8.6(2) . .
C27 C3 N2 Zn1 -172.91(13) . .
C11 C10 N2 C3 -85.44(19) . .
C15 C10 N2 C3 96.82(18) . .
C11 C10 N2 Zn1 92.08(15) . .
C15 C10 N2 Zn1 -85.66(15) . .
C28 O1 Zn1 O1 175.8(2) . 2_556
Zn1 O1 Zn1 O1 -0.001(1) 2_556 2_556
C28 O1 Zn1 N1 -64.20(19) . .
Zn1 O1 Zn1 N1 120.01(6) 2_556 .
C28 O1 Zn1 N2 60.16(19) . .
Zn1 O1 Zn1 N2 -115.63(6) 2_556 .
C28 O1 Zn1 Zn1 175.8(2) . 2_556
C1 N1 Zn1 O1 152.40(11) . .
C4 N1 Zn1 O1 -22.92(13) . .
C1 N1 Zn1 O1 -107.93(12) . 2_556
C4 N1 Zn1 O1 76.75(12) . 2_556
C1 N1 Zn1 N2 17.60(13) . .
C4 N1 Zn1 N2 -157.71(11) . .
C1 N1 Zn1 Zn1 -155.40(10) . 2_556
C4 N1 Zn1 Zn1 29.28(14) . 2_556
C3 N2 Zn1 O1 -155.60(12) . .
C10 N2 Zn1 O1 26.95(13) . .
C3 N2 Zn1 O1 109.26(13) . 2_556
C10 N2 Zn1 O1 -68.19(12) . 2_556
C3 N2 Zn1 N1 -18.59(13) . .
C10 N2 Zn1 N1 163.96(11) . .
C3 N2 Zn1 Zn1 154.95(11) . 2_556
C10 N2 Zn1 Zn1 -22.50(13) . 2_556
