#------------------------------------------------------------------------------
#$Date: 2019-11-23 03:33:57 +0200 (Sat, 23 Nov 2019) $
#$Revision: 232013 $
#$URL: file:///home/coder/svn-repositories/cod/cif/4/34/68/4346846.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_4346846
loop_
_publ_author_name
'Thevenon, Arnaud'
'Garden, Jennifer A.'
'White, Andrew J. P.'
'Williams, Charlotte K.'
_publ_section_title
;
 Dinuclear Zinc Salen Catalysts for the Ring Opening Copolymerization of
 Epoxides and Carbon Dioxide or Anhydrides.
;
_journal_issue                   24
_journal_name_full               'Inorganic chemistry'
_journal_page_first              11906
_journal_page_last               11915
_journal_paper_doi               10.1021/acs.inorgchem.5b02233
_journal_volume                  54
_journal_year                    2015
_chemical_formula_moiety         'C42 H56 N4 O8 Zn2, 6(C4 H8 O)'
_chemical_formula_sum            'C66 H104 N4 O14 Zn2'
_chemical_formula_weight         1308.27
_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
_audit_creation_method           SHELXL
_cell_angle_alpha                108.871(4)
_cell_angle_beta                 108.312(4)
_cell_angle_gamma                92.889(3)
_cell_formula_units_Z            1
_cell_length_a                   11.0206(4)
_cell_length_b                   12.7927(5)
_cell_length_c                   13.4261(6)
_cell_measurement_reflns_used    3819
_cell_measurement_temperature    173
_cell_measurement_theta_max      26.8220
_cell_measurement_theta_min      2.8810
_cell_volume                     1675.88(14)
_computing_cell_refinement       'CrysAlisPro, Agilent Technologies'
_computing_data_collection       'CrysAlisPro, Agilent Technologies'
_computing_data_reduction        'CrysAlisPro, Agilent Technologies'
_computing_molecular_graphics    'Bruker SHELXTL'
_computing_publication_material  'CIFTAB-2013 (Sheldrick, 2013)'
_computing_structure_refinement  'SHELXL-2013 (Sheldrick, 2013)'
_computing_structure_solution    'SHELXS-2013 (Sheldrick, 2013)'
_diffrn_ambient_temperature      173
_diffrn_detector_area_resol_mean 16.0382
_diffrn_measured_fraction_theta_full 0.987
_diffrn_measured_fraction_theta_max 0.796
_diffrn_measurement_device_type  'Agilent Xcalibur 3 E'
_diffrn_measurement_method       'omega scans'
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_reflns_av_R_equivalents  0.0244
_diffrn_reflns_av_unetI/netI     0.0594
_diffrn_reflns_Laue_measured_fraction_full 0.987
_diffrn_reflns_Laue_measured_fraction_max 0.796
_diffrn_reflns_limit_h_max       13
_diffrn_reflns_limit_h_min       -10
_diffrn_reflns_limit_k_max       12
_diffrn_reflns_limit_k_min       -16
_diffrn_reflns_limit_l_max       17
_diffrn_reflns_limit_l_min       -17
_diffrn_reflns_number            9760
_diffrn_reflns_point_group_measured_fraction_full 0.987
_diffrn_reflns_point_group_measured_fraction_max 0.796
_diffrn_reflns_theta_full        25.242
_diffrn_reflns_theta_max         28.241
_diffrn_reflns_theta_min         2.382
_diffrn_source                   'Enhance (Mo) X-ray Source'
_exptl_absorpt_coefficient_mu    0.780
_exptl_absorpt_correction_T_max  0.905
_exptl_absorpt_correction_T_min  0.835
_exptl_absorpt_correction_type   analytical
_exptl_absorpt_process_details
;
CrysAlisPro, Agilent Technologies,
Version 1.171.37.33a (release 28-03-2014 CrysAlis171 .NET)
(compiled Mar 28 2014,12:25:20)
Analytical numeric absorption correction using a multifaceted crystal
model based on expressions derived by R.C. Clark & J.S. Reid.
(Clark, R. C. & Reid, J. S. (1995). Acta Cryst. A51, 887-897)
Empirical absorption correction using spherical harmonics,
implemented in SCALE3 ABSPACK scaling algorithm.
;
_exptl_crystal_colour            Colourless
_exptl_crystal_density_diffrn    1.296
_exptl_crystal_description       blocks
_exptl_crystal_F_000             700
_exptl_crystal_size_max          0.30
_exptl_crystal_size_mid          0.21
_exptl_crystal_size_min          0.14
_refine_diff_density_max         0.456
_refine_diff_density_min         -0.686
_refine_diff_density_rms         0.068
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.033
_refine_ls_hydrogen_treatment    mixed
_refine_ls_matrix_type           full
_refine_ls_number_parameters     421
_refine_ls_number_reflns         6589
_refine_ls_number_restraints     149
_refine_ls_restrained_S_all      1.033
_refine_ls_R_factor_all          0.0610
_refine_ls_R_factor_gt           0.0462
_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)+(0.0519P)²+0.5532P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1055
_refine_ls_wR_factor_ref         0.1149
_reflns_Friedel_coverage         0.000
_reflns_number_gt                5432
_reflns_number_total             6589
_reflns_threshold_expression     'I > 2σ(I)'
_cod_data_source_file            ic5b02233_si_002.cif
_cod_data_source_block           (L2b)2Zn2-thf
_cod_original_cell_volume        1675.87(13)
_cod_database_code               4346846
_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.
;
_shelxl_version_number           2013-4
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 0.42552(3) 0.50173(2) 0.08335(2) 0.02044(10) Uani 1 1 d . . . . .
O1 O 0.46276(17) 0.65227(14) 0.19066(16) 0.0278(4) Uani 1 1 d . . . . .
C2 C 0.3927(3) 0.6965(2) 0.2525(2) 0.0252(6) Uani 1 1 d . . . . .
C3 C 0.4572(3) 0.7748(2) 0.3631(2) 0.0289(6) Uani 1 1 d . . . . .
C4 C 0.3883(3) 0.8269(2) 0.4295(2) 0.0368(7) Uani 1 1 d . . . . .
H4A H 0.4331 0.8800 0.5029 0.044 Uiso 1 1 calc R U . . .
C5 C 0.2536(3) 0.8020(2) 0.3893(3) 0.0392(8) Uani 1 1 d . . . . .
H5A H 0.2063 0.8379 0.4350 0.047 Uiso 1 1 calc R U . . .
C6 C 0.1890(3) 0.7250(2) 0.2830(3) 0.0313(7) Uani 1 1 d . . . . .
H6A H 0.0971 0.7076 0.2560 0.038 Uiso 1 1 calc R U . . .
C7 C 0.2570(3) 0.6724(2) 0.2145(2) 0.0247(6) Uani 1 1 d . . . . .
C8 C 0.1832(3) 0.5936(2) 0.0956(2) 0.0263(6) Uani 1 1 d . . . . .
H8A H 0.0895 0.5835 0.0840 0.032 Uiso 1 1 calc R U . . .
H8B H 0.1959 0.6281 0.0426 0.032 Uiso 1 1 calc R U . . .
N9 N 0.2244(2) 0.48190(17) 0.06949(18) 0.0218(5) Uani 1 1 d D . . . .
H9 H 0.177(2) 0.442(2) -0.0027(7) 0.036(9) Uiso 1 1 d D . . . .
C10 C 0.2083(3) 0.4239(2) 0.1443(2) 0.0271(6) Uani 1 1 d . . . . .
H10A H 0.1247 0.4346 0.1558 0.033 Uiso 1 1 calc R U . . .
H10B H 0.2785 0.4583 0.2184 0.033 Uiso 1 1 calc R U . . .
C11 C 0.2112(3) 0.2974(2) 0.0976(2) 0.0286(6) Uani 1 1 d . . . . .
C12 C 0.3137(3) 0.2710(2) 0.0416(2) 0.0274(6) Uani 1 1 d . . . . .
H12A H 0.3269 0.1929 0.0318 0.033 Uiso 1 1 calc R U . . .
H12B H 0.2795 0.2757 -0.0341 0.033 Uiso 1 1 calc R U . . .
N13 N 0.4413(2) 0.34599(18) 0.10445(18) 0.0223(5) Uani 1 1 d D . . . .
H13 H 0.467(3) 0.357(2) 0.1781(6) 0.031(8) Uiso 1 1 d D . . . .
C14 C 0.5416(3) 0.2947(2) 0.0608(2) 0.0271(6) Uani 1 1 d . . . . .
H14A H 0.5212 0.2911 -0.0176 0.033 Uiso 1 1 calc R U . . .
H14B H 0.5390 0.2171 0.0603 0.033 Uiso 1 1 calc R U . . .
C15 C 0.6759(3) 0.3601(2) 0.1306(2) 0.0264(6) Uani 1 1 d . . . . .
C16 C 0.7728(3) 0.3138(3) 0.1882(3) 0.0371(7) Uani 1 1 d . . . . .
H16A H 0.7538 0.2393 0.1853 0.045 Uiso 1 1 calc R U . . .
C17 C 0.8972(3) 0.3747(3) 0.2500(3) 0.0436(8) Uani 1 1 d . . . . .
H17A H 0.9629 0.3416 0.2880 0.052 Uiso 1 1 calc R U . . .
C18 C 0.9247(3) 0.4835(3) 0.2560(3) 0.0377(7) Uani 1 1 d . . . . .
H18A H 1.0091 0.5258 0.2991 0.045 Uiso 1 1 calc R U . . .
C19 C 0.8291(3) 0.5311(2) 0.1991(2) 0.0293(6) Uani 1 1 d . . . . .
C20 C 0.7033(2) 0.4700(2) 0.1345(2) 0.0235(6) Uani 1 1 d . . . . .
O21 O 0.61271(16) 0.51559(14) 0.07781(14) 0.0216(4) Uani 1 1 d . . . . .
O22 O 0.59010(19) 0.79393(17) 0.39490(18) 0.0401(5) Uani 1 1 d . . . . .
C23 C 0.6613(3) 0.8590(3) 0.5097(3) 0.0582(11) Uani 1 1 d . . . . .
H23A H 0.7544 0.8637 0.5229 0.087 Uiso 1 1 calc R U . . .
H23B H 0.6391 0.8236 0.5578 0.087 Uiso 1 1 calc R U . . .
H23C H 0.6394 0.9346 0.5273 0.087 Uiso 1 1 calc R U . . .
C24 C 0.2375(3) 0.2556(2) 0.1959(3) 0.0382(7) Uani 1 1 d . . . . .
H24A H 0.2340 0.1742 0.1682 0.057 Uiso 1 1 calc R U . . .
H24B H 0.1717 0.2739 0.2308 0.057 Uiso 1 1 calc R U . . .
H24C H 0.3237 0.2919 0.2515 0.057 Uiso 1 1 calc R U . . .
C25 C 0.0788(3) 0.2350(2) 0.0090(3) 0.0389(8) Uani 1 1 d . . . . .
H25A H 0.0586 0.2633 -0.0530 0.058 Uiso 1 1 calc R U . . .
H25B H 0.0117 0.2471 0.0432 0.058 Uiso 1 1 calc R U . . .
H25C H 0.0815 0.1546 -0.0198 0.058 Uiso 1 1 calc R U . . .
O26 O 0.85881(18) 0.63893(17) 0.20219(18) 0.0377(5) Uani 1 1 d . . . . .
C27 C 0.7991(3) 0.7181(3) 0.2681(3) 0.0467(9) Uani 1 1 d . . . . .
H27A H 0.7045 0.6973 0.2336 0.070 Uiso 1 1 calc R U . . .
H27B H 0.8255 0.7936 0.2708 0.070 Uiso 1 1 calc R U . . .
H27C H 0.8268 0.7170 0.3446 0.070 Uiso 1 1 calc R U . . .
O30 O 0.5463(2) 0.41951(18) 0.35386(18) 0.0422(5) Uani 1 1 d . . . . .
C31 C 0.6084(4) 0.5335(3) 0.3986(3) 0.0597(10) Uani 1 1 d . . . . .
H31A H 0.6244 0.5552 0.3389 0.072 Uiso 1 1 calc R U . . .
H31B H 0.5523 0.5831 0.4291 0.072 Uiso 1 1 calc R U . . .
C32 C 0.7266(5) 0.5447(4) 0.4846(5) 0.123(3) Uani 1 1 d . . . . .
H32A H 0.7328 0.6074 0.5537 0.148 Uiso 1 1 calc R U . . .
H32B H 0.8000 0.5615 0.4615 0.148 Uiso 1 1 calc R U . . .
C33 C 0.7330(5) 0.4413(4) 0.5067(4) 0.0886(16) Uani 1 1 d . . . . .
H33A H 0.7235 0.4511 0.5800 0.106 Uiso 1 1 calc R U . . .
H33B H 0.8167 0.4162 0.5076 0.106 Uiso 1 1 calc R U . . .
C34 C 0.6232(4) 0.3586(3) 0.4131(3) 0.0552(10) Uani 1 1 d . . . . .
H34A H 0.6562 0.3019 0.3627 0.066 Uiso 1 1 calc R U . . .
H34B H 0.5714 0.3198 0.4431 0.066 Uiso 1 1 calc R U . . .
O40 O 0.3563(3) 0.9829(2) 0.0474(2) 0.0585(7) Uani 1 1 d . . . . .
C41 C 0.4772(4) 1.0154(3) 0.1376(3) 0.0541(10) Uani 1 1 d . . . . .
H41A H 0.4976 1.0980 0.1745 0.065 Uiso 1 1 calc R U . . .
H41B H 0.5476 0.9895 0.1097 0.065 Uiso 1 1 calc R U . . .
C42 C 0.4642(4) 0.9618(3) 0.2188(3) 0.0610(11) Uani 1 1 d . . . . .
H42A H 0.5181 1.0087 0.2971 0.073 Uiso 1 1 calc R U . . .
H42B H 0.4890 0.8864 0.2007 0.073 Uiso 1 1 calc R U . . .
C43 C 0.3218(4) 0.9550(3) 0.2015(3) 0.0541(10) Uani 1 1 d . . . . .
H43A H 0.2905 0.8943 0.2227 0.065 Uiso 1 1 calc R U . . .
H43B H 0.3026 1.0268 0.2449 0.065 Uiso 1 1 calc R U . . .
C44 C 0.2633(4) 0.9296(3) 0.0771(3) 0.0585(11) Uani 1 1 d . . . . .
H44A H 0.2452 0.8477 0.0356 0.070 Uiso 1 1 calc R U . . .
H44B H 0.1811 0.9593 0.0590 0.070 Uiso 1 1 calc R U . . .
O50 O 1.0254(3) 0.1649(3) 0.3438(3) 0.0681(11) Uani 0.798(4) 1 d D U P A 1
C51 C 0.9943(6) 0.0657(6) 0.2514(6) 0.095(2) Uani 0.798(4) 1 d D U P A 1
H51A H 1.0555 0.0143 0.2678 0.114 Uiso 0.798(4) 1 calc R U P A 1
H51B H 0.9997 0.0815 0.1853 0.114 Uiso 0.798(4) 1 calc R U P A 1
C52 C 0.8594(5) 0.0136(4) 0.2283(4) 0.0700(16) Uani 0.798(4) 1 d D U P A 1
H52A H 0.7969 0.0291 0.1655 0.084 Uiso 0.798(4) 1 calc R U P A 1
H52B H 0.8524 -0.0685 0.2087 0.084 Uiso 0.798(4) 1 calc R U P A 1
C53 C 0.8343(6) 0.0667(5) 0.3347(5) 0.082(2) Uani 0.798(4) 1 d D U P A 1
H53A H 0.8276 0.0115 0.3709 0.099 Uiso 0.798(4) 1 calc R U P A 1
H53B H 0.7530 0.0982 0.3204 0.099 Uiso 0.798(4) 1 calc R U P A 1
C54 C 0.9487(6) 0.1575(5) 0.4068(5) 0.0774(18) Uani 0.798(4) 1 d D U P A 1
H54A H 0.9191 0.2299 0.4335 0.093 Uiso 0.798(4) 1 calc R U P A 1
H54B H 0.9994 0.1404 0.4731 0.093 Uiso 0.798(4) 1 calc R U P A 1
O50' O 1.0176(15) -0.0062(12) 0.3874(13) 0.088(5) Uiso 0.202(4) 1 d D U P A 2
C51' C 0.992(2) -0.0221(17) 0.2763(15) 0.076(5) Uiso 0.202(4) 1 d D U P A 2
H51C H 0.9283 -0.0915 0.2284 0.091 Uiso 0.202(4) 1 calc R U P A 2
H51D H 1.0726 -0.0298 0.2587 0.091 Uiso 0.202(4) 1 calc R U P A 2
C52' C 0.939(3) 0.076(2) 0.254(2) 0.088(4) Uiso 0.202(4) 1 d D U P A 2
H52C H 0.8715 0.0536 0.1779 0.106 Uiso 0.202(4) 1 calc R U P A 2
H52D H 1.0081 0.1337 0.2608 0.106 Uiso 0.202(4) 1 calc R U P A 2
C53' C 0.881(3) 0.119(2) 0.346(2) 0.083(5) Uiso 0.202(4) 1 d D U P A 2
H53C H 0.9132 0.2002 0.3899 0.100 Uiso 0.202(4) 1 calc R U P A 2
H53D H 0.7848 0.1069 0.3144 0.100 Uiso 0.202(4) 1 calc R U P A 2
C54' C 0.926(2) 0.0508(17) 0.4171(16) 0.070(5) Uiso 0.202(4) 1 d D U P A 2
H54C H 0.9635 0.1003 0.4972 0.084 Uiso 0.202(4) 1 calc R U P A 2
H54D H 0.8522 -0.0028 0.4079 0.084 Uiso 0.202(4) 1 calc R U P A 2
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
O1 Zn1 O21 116.98(8) . 2_665
O1 Zn1 O21 91.19(7) . .
O21 Zn1 O21 79.11(7) 2_665 .
O1 Zn1 N13 131.60(9) . .
O21 Zn1 N13 110.83(8) 2_665 .
O21 Zn1 N13 90.69(8) . .
O1 Zn1 N9 92.54(8) . .
O21 Zn1 N9 94.77(8) 2_665 .
O21 Zn1 N9 173.79(7) . .
N13 Zn1 N9 90.54(8) . .
O1 Zn1 Zn1 107.57(6) . 2_665
O21 Zn1 Zn1 40.53(5) 2_665 2_665
O21 Zn1 Zn1 38.58(5) . 2_665
N13 Zn1 Zn1 103.53(6) . 2_665
N9 Zn1 Zn1 135.29(6) . 2_665
C2 O1 Zn1 125.93(16) . .
O1 C2 C7 123.8(2) . .
O1 C2 C3 118.7(2) . .
C7 C2 C3 117.5(2) . .
O22 C3 C4 124.6(3) . .
O22 C3 C2 114.3(2) . .
C4 C3 C2 121.1(3) . .
C3 C4 C5 120.2(3) . .
C6 C5 C4 119.8(3) . .
C5 C6 C7 120.8(3) . .
C6 C7 C2 120.7(3) . .
C6 C7 C8 119.6(2) . .
C2 C7 C8 119.6(2) . .
N9 C8 C7 113.1(2) . .
C10 N9 C8 112.8(2) . .
C10 N9 Zn1 108.98(16) . .
C8 N9 Zn1 109.36(15) . .
N9 C10 C11 112.8(2) . .
C24 C11 C25 108.4(2) . .
C24 C11 C12 110.7(2) . .
C25 C11 C12 107.5(2) . .
C24 C11 C10 107.2(2) . .
C25 C11 C10 110.2(2) . .
C12 C11 C10 112.7(2) . .
N13 C12 C11 114.8(2) . .
C12 N13 C14 109.81(19) . .
C12 N13 Zn1 108.79(16) . .
C14 N13 Zn1 109.82(16) . .
N13 C14 C15 112.1(2) . .
C16 C15 C20 119.8(3) . .
C16 C15 C14 121.9(3) . .
C20 C15 C14 118.3(2) . .
C15 C16 C17 121.0(3) . .
C18 C17 C16 119.7(3) . .
C17 C18 C19 120.1(3) . .
O26 C19 C18 119.6(2) . .
O26 C19 C20 119.3(2) . .
C18 C19 C20 121.0(3) . .
O21 C20 C15 121.0(2) . .
O21 C20 C19 120.6(2) . .
C15 C20 C19 118.4(2) . .
C20 O21 Zn1 124.45(15) . 2_665
C20 O21 Zn1 120.67(16) . .
Zn1 O21 Zn1 100.89(7) 2_665 .
C3 O22 C23 117.0(2) . .
C19 O26 C27 112.1(2) . .
C34 O30 C31 109.4(3) . .
C32 C31 O30 108.2(3) . .
C31 C32 C33 109.0(4) . .
C32 C33 C34 105.3(4) . .
O30 C34 C33 106.9(3) . .
C41 O40 C44 109.0(3) . .
O40 C41 C42 106.7(3) . .
C41 C42 C43 102.3(3) . .
C44 C43 C42 101.7(3) . .
O40 C44 C43 106.4(3) . .
C54 O50 C51 108.8(4) . .
O50 C51 C52 107.6(4) . .
C53 C52 C51 104.9(4) . .
C52 C53 C54 104.7(4) . .
O50 C54 C53 108.7(4) . .
C54' O50' C51' 106.2(11) . .
O50' C51' C52' 108.8(11) . .
C51' C52' C53' 101.5(8) . .
C54' C53' C52' 103.1(7) . .
O50' C54' C53' 110.4(10) . .
loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_site_symmetry_2
Zn1 O1 1.9253(17) .
Zn1 O21 2.0040(17) 2_665
Zn1 O21 2.0883(16) .
Zn1 N13 2.109(2) .
Zn1 N9 2.160(2) .
Zn1 Zn1 3.1556(6) 2_665
O1 C2 1.323(3) .
C2 C7 1.401(4) .
C2 C3 1.420(4) .
C3 O22 1.375(3) .
C3 C4 1.381(4) .
C4 C5 1.391(4) .
C5 C6 1.377(4) .
C6 C7 1.394(4) .
C7 C8 1.512(4) .
C8 N9 1.487(3) .
N9 C10 1.473(3) .
C10 C11 1.541(4) .
C11 C24 1.532(4) .
C11 C25 1.536(4) .
C11 C12 1.537(4) .
C12 N13 1.485(3) .
N13 C14 1.492(3) .
C14 C15 1.505(4) .
C15 C16 1.390(4) .
C15 C20 1.403(4) .
C16 C17 1.391(4) .
C17 C18 1.380(5) .
C18 C19 1.387(4) .
C19 O26 1.386(3) .
C19 C20 1.408(4) .
C20 O21 1.335(3) .
O21 Zn1 2.0040(17) 2_665
O22 C23 1.424(4) .
O26 C27 1.448(4) .
O30 C34 1.414(4) .
O30 C31 1.425(4) .
C31 C32 1.407(6) .
C32 C33 1.448(7) .
C33 C34 1.489(5) .
O40 C41 1.421(4) .
O40 C44 1.427(4) .
C41 C42 1.500(5) .
C42 C43 1.506(5) .
C43 C44 1.503(5) .
O50 C54 1.391(6) .
O50 C51 1.391(6) .
C51 C52 1.492(7) .
C52 C53 1.490(7) .
C53 C54 1.495(6) .
O50' C54' 1.356(13) .
O50' C51' 1.371(14) .
C51' C52' 1.496(14) .
C52' C53' 1.534(14) .
C53' C54' 1.486(13) .
