#------------------------------------------------------------------------------
#$Date: 2016-03-26 15:23:36 +0100 (Sat 26 de Mar de 2016) $
#$Revision: 180336 $
#$URL: svn://www.crystallography.net/cod/cif/7/20/05/7200534.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_7200534
loop_
_publ_author_name
'Karmakar, Anirban'
'Baruah, Jubaraj B.'
'Boomi Shankar, R.'
_publ_section_title
;
 Zinc(II) and cobalt(II) complexes of
 (3-carboxymethoxy-naphthalen-2-yloxy)-acetic acid: a structural study
;
_journal_issue                   5
_journal_name_full               CrystEngComm
_journal_page_first              832
_journal_paper_doi               10.1039/b817416d
_journal_volume                  11
_journal_year                    2009
_chemical_formula_sum            'C40 H42 N4 Na2 O18 Zn2'
_chemical_formula_weight         1043.50
_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                108.070(3)
_cell_angle_beta                 94.205(3)
_cell_angle_gamma                109.158(2)
_cell_formula_units_Z            1
_cell_length_a                   8.6774(7)
_cell_length_b                   11.7824(9)
_cell_length_c                   12.3236(15)
_cell_measurement_reflns_used    4343
_cell_measurement_temperature    296(2)
_cell_measurement_theta_max      27.48
_cell_measurement_theta_min      2.53
_cell_volume                     1109.77(19)
_computing_cell_refinement       'Bruker SMART'
_computing_data_collection       'Bruker SMART'
_computing_data_reduction        'Bruker SAINT'
_computing_molecular_graphics    'Bruker SHELXTL'
_computing_publication_material  'Bruker SHELXTL'
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 1997)'
_computing_structure_solution    'SHELXS-97 (Sheldrick, 1990)'
_diffrn_ambient_temperature      296(2)
_diffrn_measured_fraction_theta_full 0.949
_diffrn_measured_fraction_theta_max 0.949
_diffrn_measurement_device_type  'CCD area detector'
_diffrn_measurement_method       'phi and omega scans'
_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  0.0221
_diffrn_reflns_av_sigmaI/netI    0.0278
_diffrn_reflns_limit_h_max       11
_diffrn_reflns_limit_h_min       -11
_diffrn_reflns_limit_k_max       15
_diffrn_reflns_limit_k_min       -15
_diffrn_reflns_limit_l_max       16
_diffrn_reflns_limit_l_min       -16
_diffrn_reflns_number            12883
_diffrn_reflns_theta_full        28.36
_diffrn_reflns_theta_max         28.36
_diffrn_reflns_theta_min         2.53
_exptl_absorpt_coefficient_mu    1.181
_exptl_absorpt_correction_type   none
_exptl_crystal_colour            colourless
_exptl_crystal_density_diffrn    1.561
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       blocks
_exptl_crystal_F_000             536
_exptl_crystal_size_max          0.35
_exptl_crystal_size_mid          0.22
_exptl_crystal_size_min          0.14
_refine_diff_density_max         0.585
_refine_diff_density_min         -0.389
_refine_diff_density_rms         0.058
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.038
_refine_ls_hydrogen_treatment    mixed
_refine_ls_matrix_type           full
_refine_ls_number_parameters     304
_refine_ls_number_reflns         5282
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      1.038
_refine_ls_R_factor_all          0.0576
_refine_ls_R_factor_gt           0.0397
_refine_ls_shift/su_max          0.001
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'calc w=1/[σ²(Fo²)+(0.0540P)²+0.5638P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1022
_refine_ls_wR_factor_ref         0.1117
_reflns_number_gt                4064
_reflns_number_total             5282
_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            b817416d.txt
_cod_data_source_block           zndicarboxy3
_cod_depositor_comments
;
The following automatic conversions were performed:
'_symmetry_cell_setting' value 'Triclinic' changed to 'triclinic'
according to '/home/saulius/struct/CIF-dictionaries/cif_core.dic'
dictionary named 'cif_core.dic' version 2.4.1 from 2010-06-29.

Automatic conversion script
Id: cif_fix_enum 1527 2010-12-29 10:47:43Z saulius 
;
_cod_original_cell_volume        1109.77(18)
_cod_original_sg_symbol_H-M      P-1
_cod_database_code               7200534
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
_atom_site_disorder_assembly
_atom_site_disorder_group
Zn1 Zn 0.10884(4) 0.13614(3) 0.83947(2) 0.04393(11) Uani 1 1 d . . .
Na1 Na 0.09306(14) 0.46351(9) 0.86999(9) 0.0485(3) Uani 1 1 d . . .
C1 C 0.1275(3) 0.2217(2) 0.6595(2) 0.0397(5) Uani 1 1 d . . .
C2 C 0.1653(3) 0.3165(2) 0.5969(2) 0.0405(5) Uani 1 1 d . . .
H2A H 0.2802 0.3397 0.5874 0.049 Uiso 1 1 calc R . .
H2B H 0.0947 0.2773 0.5202 0.049 Uiso 1 1 calc R . .
C3 C 0.1754(3) 0.5244(2) 0.6147(2) 0.0361(5) Uani 1 1 d . . .
C4 C 0.2308(3) 0.5180(2) 0.5135(2) 0.0413(5) Uani 1 1 d . . .
H4 H 0.2472 0.4443 0.4701 0.050 Uiso 1 1 calc R . .
C5 C 0.2639(3) 0.6230(2) 0.4733(2) 0.0413(5) Uani 1 1 d . . .
C6 C 0.3196(4) 0.6175(3) 0.3678(2) 0.0539(7) Uani 1 1 d . . .
H6 H 0.3332 0.5433 0.3222 0.065 Uiso 1 1 calc R . .
C7 C 0.3540(5) 0.7213(3) 0.3319(3) 0.0658(8) Uani 1 1 d . . .
H7 H 0.3918 0.7173 0.2626 0.079 Uiso 1 1 calc R . .
C8 C 0.3323(5) 0.8328(3) 0.3990(3) 0.0657(9) Uani 1 1 d . . .
H8 H 0.3550 0.9021 0.3737 0.079 Uiso 1 1 calc R . .
C9 C 0.2779(4) 0.8406(3) 0.5018(3) 0.0531(7) Uani 1 1 d . . .
H9 H 0.2646 0.9154 0.5460 0.064 Uiso 1 1 calc R . .
C10 C 0.2418(3) 0.7356(2) 0.5414(2) 0.0410(5) Uani 1 1 d . . .
C11 C 0.1844(3) 0.7401(2) 0.6467(2) 0.0411(5) Uani 1 1 d . . .
H11 H 0.1697 0.8139 0.6918 0.049 Uiso 1 1 calc R . .
C12 C 0.1501(3) 0.6374(2) 0.6829(2) 0.0364(5) Uani 1 1 d . . .
C13 C 0.0467(4) 0.7333(2) 0.8447(2) 0.0438(6) Uani 1 1 d . . .
H13A H -0.0421 0.7376 0.7955 0.053 Uiso 1 1 calc R . .
H13B H 0.1410 0.8137 0.8662 0.053 Uiso 1 1 calc R . .
C14 C -0.0108(3) 0.7153(2) 0.9530(2) 0.0410(5) Uani 1 1 d . . .
C15 C -0.3195(4) -0.1579(3) 0.6198(3) 0.0642(8) Uani 1 1 d . . .
H15 H -0.3895 -0.1999 0.5470 0.077 Uiso 1 1 calc R . .
C16 C -0.3524(5) -0.1786(4) 0.7194(4) 0.0742(10) Uani 1 1 d . . .
H16 H -0.4470 -0.2386 0.7281 0.089 Uiso 1 1 calc R . .
C17 C -0.2150(4) -0.0914(3) 0.8059(3) 0.0609(8) Uani 1 1 d . . .
H17 H -0.2034 -0.0821 0.8842 0.073 Uiso 1 1 calc R . .
C18 C 0.4007(4) 0.1314(4) 0.8828(3) 0.0656(8) Uani 1 1 d . . .
C19 C 0.5593(5) 0.1099(5) 0.9034(5) 0.1150(18) Uani 1 1 d . . .
H19A H 0.5870 0.1202 0.9837 0.172 Uiso 1 1 calc R . .
H19B H 0.6471 0.1712 0.8848 0.172 Uiso 1 1 calc R . .
H19C H 0.5456 0.0245 0.8550 0.172 Uiso 1 1 calc R . .
H2N H -0.115(5) -0.038(4) 0.598(4) 0.088(13) Uiso 1 1 d . . .
N1 N -0.1031(3) -0.0237(2) 0.75913(19) 0.0492(5) Uani 1 1 d . . .
N2 N -0.1706(3) -0.0674(2) 0.6449(2) 0.0532(6) Uani 1 1 d . . .
O1 O 0.1006(2) 0.25889(16) 0.76182(14) 0.0452(4) Uani 1 1 d . . .
O2 O 0.1287(3) 0.11391(17) 0.60704(17) 0.0552(5) Uani 1 1 d . . .
O3 O 0.1375(2) 0.42895(15) 0.66112(14) 0.0424(4) Uani 1 1 d . . .
O4 O 0.0932(2) 0.62993(16) 0.78185(14) 0.0434(4) Uani 1 1 d . . .
O5 O -0.0078(3) 0.62475(18) 0.98143(16) 0.0532(5) Uani 1 1 d . . .
O6 O -0.0565(3) 0.80585(19) 1.00697(16) 0.0583(5) Uani 1 1 d . . .
O7 O 0.2641(3) 0.0448(2) 0.8559(3) 0.0862(8) Uani 1 1 d . . .
O8 O 0.4071(3) 0.2398(3) 0.8896(3) 0.0898(8) Uani 1 1 d . . .
O9 O 0.3792(4) 0.5593(4) 0.9276(3) 0.1120(11) Uani 1 1 d . . .
C20 C 0.4919(7) 0.5410(6) 0.8583(5) 0.1262(19) Uani 1 1 d . . .
H20A H 0.4600 0.4509 0.8151 0.189 Uiso 1 1 calc R . .
H20B H 0.6004 0.5729 0.9060 0.189 Uiso 1 1 calc R . .
H20C H 0.4944 0.5862 0.8053 0.189 Uiso 1 1 calc R . .
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'
Na Na 0.0362 0.0249 '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
O6 Zn1 O1 108.55(7) 2_567 . ?
O6 Zn1 O7 105.08(10) 2_567 . ?
O1 Zn1 O7 135.01(10) . . ?
O6 Zn1 N1 99.46(10) 2_567 . ?
O1 Zn1 N1 105.17(8) . . ?
O7 Zn1 N1 97.73(9) . . ?
O6 Zn1 O8 99.30(11) 2_567 . ?
O1 Zn1 O8 89.27(9) . . ?
O7 Zn1 O8 56.15(10) . . ?
N1 Zn1 O8 151.17(10) . . ?
O9 Na1 O1 93.41(11) . . ?
O9 Na1 O5 103.40(12) . 2_567 ?
O1 Na1 O5 86.90(7) . 2_567 ?
O9 Na1 O5 104.22(11) . . ?
O1 Na1 O5 160.55(9) . . ?
O5 Na1 O5 81.15(7) 2_567 . ?
O9 Na1 O4 90.06(11) . . ?
O1 Na1 O4 123.42(7) . . ?
O5 Na1 O4 146.37(7) 2_567 . ?
O5 Na1 O4 65.60(6) . . ?
O9 Na1 O3 87.11(10) . . ?
O1 Na1 O3 63.70(6) . . ?
O5 Na1 O3 149.51(7) 2_567 . ?
O5 Na1 O3 124.45(7) . . ?
O4 Na1 O3 60.12(5) . . ?
O9 Na1 Na1 108.31(10) . 2_567 ?
O1 Na1 Na1 125.92(7) . 2_567 ?
O5 Na1 Na1 40.69(5) 2_567 2_567 ?
O5 Na1 Na1 40.47(5) . 2_567 ?
O4 Na1 Na1 105.92(5) . 2_567 ?
O3 Na1 Na1 159.93(7) . 2_567 ?
O2 C1 O1 125.0(2) . . ?
O2 C1 C2 117.0(2) . . ?
O1 C1 C2 117.96(19) . . ?
O3 C2 C1 110.33(19) . . ?
O3 C2 H2A 109.6 . . ?
C1 C2 H2A 109.6 . . ?
O3 C2 H2B 109.6 . . ?
C1 C2 H2B 109.6 . . ?
H2A C2 H2B 108.1 . . ?
C4 C3 O3 125.7(2) . . ?
C4 C3 C12 120.4(2) . . ?
O3 C3 C12 113.90(19) . . ?
C3 C4 C5 120.6(2) . . ?
C3 C4 H4 119.7 . . ?
C5 C4 H4 119.7 . . ?
C6 C5 C10 119.4(2) . . ?
C6 C5 C4 121.4(2) . . ?
C10 C5 C4 119.1(2) . . ?
C7 C6 C5 120.3(3) . . ?
C7 C6 H6 119.8 . . ?
C5 C6 H6 119.8 . . ?
C6 C7 C8 120.4(3) . . ?
C6 C7 H7 119.8 . . ?
C8 C7 H7 119.8 . . ?
C9 C8 C7 120.5(3) . . ?
C9 C8 H8 119.8 . . ?
C7 C8 H8 119.8 . . ?
C8 C9 C10 120.6(3) . . ?
C8 C9 H9 119.7 . . ?
C10 C9 H9 119.7 . . ?
C5 C10 C11 119.2(2) . . ?
C5 C10 C9 118.8(2) . . ?
C11 C10 C9 122.0(2) . . ?
C12 C11 C10 120.9(2) . . ?
C12 C11 H11 119.6 . . ?
C10 C11 H11 119.6 . . ?
O4 C12 C11 126.3(2) . . ?
O4 C12 C3 113.95(19) . . ?
C11 C12 C3 119.7(2) . . ?
O4 C13 C14 110.78(19) . . ?
O4 C13 H13A 109.5 . . ?
C14 C13 H13A 109.5 . . ?
O4 C13 H13B 109.5 . . ?
C14 C13 H13B 109.5 . . ?
H13A C13 H13B 108.1 . . ?
O5 C14 O6 127.5(2) . . ?
O5 C14 C13 122.0(2) . . ?
O6 C14 C13 110.5(2) . . ?
N2 C15 C16 107.5(3) . . ?
N2 C15 H15 126.2 . . ?
C16 C15 H15 126.2 . . ?
C15 C16 C17 105.8(3) . . ?
C15 C16 H16 127.1 . . ?
C17 C16 H16 127.1 . . ?
N1 C17 C16 109.4(3) . . ?
N1 C17 H17 125.3 . . ?
C16 C17 H17 125.3 . . ?
O7 C18 O8 118.2(3) . . ?
O7 C18 C19 122.6(4) . . ?
O8 C18 C19 119.1(4) . . ?
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 . . ?
C17 N1 N2 105.5(3) . . ?
C17 N1 Zn1 129.4(2) . . ?
N2 N1 Zn1 124.1(2) . . ?
C15 N2 N1 111.6(3) . . ?
C15 N2 H2N 128(3) . . ?
N1 N2 H2N 120(3) . . ?
C1 O1 Zn1 110.55(14) . . ?
C1 O1 Na1 127.67(15) . . ?
Zn1 O1 Na1 120.76(8) . . ?
C3 O3 C2 115.29(18) . . ?
C3 O3 Na1 123.66(13) . . ?
C2 O3 Na1 119.26(13) . . ?
C12 O4 C13 115.79(18) . . ?
C12 O4 Na1 125.37(13) . . ?
C13 O4 Na1 118.50(14) . . ?
C14 O5 Na1 138.17(16) . 2_567 ?
C14 O5 Na1 122.91(16) . . ?
Na1 O5 Na1 98.85(7) 2_567 . ?
C14 O6 Zn1 134.31(17) . 2_567 ?
C18 O7 Zn1 102.5(2) . . ?
C18 O8 Zn1 83.2(2) . . ?
C20 O9 Na1 125.5(3) . . ?
O9 C20 H20A 109.5 . . ?
O9 C20 H20B 109.5 . . ?
H20A C20 H20B 109.5 . . ?
O9 C20 H20C 109.5 . . ?
H20A C20 H20C 109.5 . . ?
H20B C20 H20C 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 O6 1.9447(18) 2_567 ?
Zn1 O1 1.9822(17) . ?
Zn1 O7 2.015(3) . ?
Zn1 N1 2.052(2) . ?
Zn1 O8 2.407(3) . ?
Na1 O9 2.313(3) . ?
Na1 O1 2.3908(19) . ?
Na1 O5 2.420(2) 2_567 ?
Na1 O5 2.431(2) . ?
Na1 O4 2.5188(19) . ?
Na1 O3 2.5571(19) . ?
Na1 Na1 3.685(2) 2_567 ?
C1 O2 1.238(3) . ?
C1 O1 1.267(3) . ?
C1 C2 1.510(3) . ?
C2 O3 1.423(3) . ?
C2 H2A 0.9700 . ?
C2 H2B 0.9700 . ?
C3 C4 1.359(3) . ?
C3 O3 1.373(3) . ?
C3 C12 1.432(3) . ?
C4 C5 1.423(3) . ?
C4 H4 0.9300 . ?
C5 C6 1.411(4) . ?
C5 C10 1.415(3) . ?
C6 C7 1.377(4) . ?
C6 H6 0.9300 . ?
C7 C8 1.398(5) . ?
C7 H7 0.9300 . ?
C8 C9 1.372(4) . ?
C8 H8 0.9300 . ?
C9 C10 1.417(3) . ?
C9 H9 0.9300 . ?
C10 C11 1.416(4) . ?
C11 C12 1.368(3) . ?
C11 H11 0.9300 . ?
C12 O4 1.365(3) . ?
C13 O4 1.425(3) . ?
C13 C14 1.509(3) . ?
C13 H13A 0.9700 . ?
C13 H13B 0.9700 . ?
C14 O5 1.229(3) . ?
C14 O6 1.270(3) . ?
C15 N2 1.317(4) . ?
C15 C16 1.355(5) . ?
C15 H15 0.9300 . ?
C16 C17 1.394(5) . ?
C16 H16 0.9300 . ?
C17 N1 1.331(4) . ?
C17 H17 0.9300 . ?
C18 O7 1.222(4) . ?
C18 O8 1.237(4) . ?
C18 C19 1.497(5) . ?
C19 H19A 0.9600 . ?
C19 H19B 0.9600 . ?
C19 H19C 0.9600 . ?
N1 N2 1.350(3) . ?
N2 H2N 0.86(4) . ?
O5 Na1 2.420(2) 2_567 ?
O6 Zn1 1.9447(18) 2_567 ?
O9 C20 1.371(6) . ?
C20 H20A 0.9600 . ?
C20 H20B 0.9600 . ?
C20 H20C 0.9600 . ?
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
O2 C1 C2 O3 172.2(2) . . . . ?
O1 C1 C2 O3 -9.2(3) . . . . ?
O3 C3 C4 C5 179.2(2) . . . . ?
C12 C3 C4 C5 -0.3(4) . . . . ?
C3 C4 C5 C6 -179.2(3) . . . . ?
C3 C4 C5 C10 1.3(4) . . . . ?
C10 C5 C6 C7 0.7(4) . . . . ?
C4 C5 C6 C7 -178.7(3) . . . . ?
C5 C6 C7 C8 -0.7(5) . . . . ?
C6 C7 C8 C9 0.5(6) . . . . ?
C7 C8 C9 C10 -0.4(5) . . . . ?
C6 C5 C10 C11 179.4(3) . . . . ?
C4 C5 C10 C11 -1.2(4) . . . . ?
C6 C5 C10 C9 -0.6(4) . . . . ?
C4 C5 C10 C9 178.9(3) . . . . ?
C8 C9 C10 C5 0.4(4) . . . . ?
C8 C9 C10 C11 -179.5(3) . . . . ?
C5 C10 C11 C12 0.0(4) . . . . ?
C9 C10 C11 C12 179.9(3) . . . . ?
C10 C11 C12 O4 -179.5(2) . . . . ?
C10 C11 C12 C3 1.1(4) . . . . ?
C4 C3 C12 O4 179.6(2) . . . . ?
O3 C3 C12 O4 0.1(3) . . . . ?
C4 C3 C12 C11 -1.0(4) . . . . ?
O3 C3 C12 C11 179.6(2) . . . . ?
O4 C13 C14 O5 3.0(4) . . . . ?
O4 C13 C14 O6 -178.1(2) . . . . ?
N2 C15 C16 C17 1.8(4) . . . . ?
C15 C16 C17 N1 -1.5(4) . . . . ?
C16 C17 N1 N2 0.5(3) . . . . ?
C16 C17 N1 Zn1 170.1(2) . . . . ?
O6 Zn1 N1 C17 -19.7(2) 2_567 . . . ?
O1 Zn1 N1 C17 -132.0(2) . . . . ?
O7 Zn1 N1 C17 87.0(3) . . . . ?
O8 Zn1 N1 C17 110.3(3) . . . . ?
O6 Zn1 N1 N2 148.1(2) 2_567 . . . ?
O1 Zn1 N1 N2 35.8(2) . . . . ?
O7 Zn1 N1 N2 -105.1(2) . . . . ?
O8 Zn1 N1 N2 -81.9(3) . . . . ?
C16 C15 N2 N1 -1.6(4) . . . . ?
C17 N1 N2 C15 0.7(3) . . . . ?
Zn1 N1 N2 C15 -169.6(2) . . . . ?
O2 C1 O1 Zn1 12.3(3) . . . . ?
C2 C1 O1 Zn1 -166.21(18) . . . . ?
O2 C1 O1 Na1 -179.4(2) . . . . ?
C2 C1 O1 Na1 2.1(3) . . . . ?
O6 Zn1 O1 C1 -177.40(17) 2_567 . . . ?
O7 Zn1 O1 C1 46.2(2) . . . . ?
N1 Zn1 O1 C1 -71.70(19) . . . . ?
O8 Zn1 O1 C1 83.03(19) . . . . ?
O6 Zn1 O1 Na1 13.32(14) 2_567 . . . ?
O7 Zn1 O1 Na1 -123.05(13) . . . . ?
N1 Zn1 O1 Na1 119.02(11) . . . . ?
O8 Zn1 O1 Na1 -86.25(12) . . . . ?
O9 Na1 O1 C1 -82.0(2) . . . . ?
O5 Na1 O1 C1 174.8(2) 2_567 . . . ?
O5 Na1 O1 C1 122.8(3) . . . . ?
O4 Na1 O1 C1 10.4(2) . . . . ?
O3 Na1 O1 C1 3.1(2) . . . . ?
Na1 Na1 O1 C1 162.44(19) 2_567 . . . ?
O9 Na1 O1 Zn1 85.31(14) . . . . ?
O5 Na1 O1 Zn1 -17.94(11) 2_567 . . . ?
O5 Na1 O1 Zn1 -69.9(3) . . . . ?
O4 Na1 O1 Zn1 177.65(9) . . . . ?
O3 Na1 O1 Zn1 170.39(13) . . . . ?
Na1 Na1 O1 Zn1 -30.27(15) 2_567 . . . ?
C4 C3 O3 C2 2.1(4) . . . . ?
C12 C3 O3 C2 -178.5(2) . . . . ?
C4 C3 O3 Na1 166.7(2) . . . . ?
C12 C3 O3 Na1 -13.9(3) . . . . ?
C1 C2 O3 C3 177.1(2) . . . . ?
C1 C2 O3 Na1 11.8(3) . . . . ?
O9 Na1 O3 C3 -77.0(2) . . . . ?
O1 Na1 O3 C3 -172.27(19) . . . . ?
O5 Na1 O3 C3 171.18(18) 2_567 . . . ?
O5 Na1 O3 C3 28.3(2) . . . . ?
O4 Na1 O3 C3 14.72(16) . . . . ?
Na1 Na1 O3 C3 64.1(3) 2_567 . . . ?
O9 Na1 O3 C2 87.0(2) . . . . ?
O1 Na1 O3 C2 -8.26(17) . . . . ?
O5 Na1 O3 C2 -24.8(3) 2_567 . . . ?
O5 Na1 O3 C2 -167.73(17) . . . . ?
O4 Na1 O3 C2 178.7(2) . . . . ?
Na1 Na1 O3 C2 -131.9(2) 2_567 . . . ?
C11 C12 O4 C13 8.1(4) . . . . ?
C3 C12 O4 C13 -172.5(2) . . . . ?
C11 C12 O4 Na1 -165.2(2) . . . . ?
C3 C12 O4 Na1 14.2(3) . . . . ?
C14 C13 O4 C12 -178.9(2) . . . . ?
C14 C13 O4 Na1 -5.1(3) . . . . ?
O9 Na1 O4 C12 71.6(2) . . . . ?
O1 Na1 O4 C12 -22.5(2) . . . . ?
O5 Na1 O4 C12 -173.53(19) 2_567 . . . ?
O5 Na1 O4 C12 177.2(2) . . . . ?
O3 Na1 O4 C12 -15.00(17) . . . . ?
Na1 Na1 O4 C12 -179.28(18) 2_567 . . . ?
O9 Na1 O4 C13 -101.5(2) . . . . ?
O1 Na1 O4 C13 164.37(18) . . . . ?
O5 Na1 O4 C13 13.3(3) 2_567 . . . ?
O5 Na1 O4 C13 4.12(18) . . . . ?
O3 Na1 O4 C13 171.9(2) . . . . ?
Na1 Na1 O4 C13 7.59(19) 2_567 . . . ?
O6 C14 O5 Na1 6.0(5) . . . 2_567 ?
C13 C14 O5 Na1 -175.39(19) . . . 2_567 ?
O6 C14 O5 Na1 -177.9(2) . . . . ?
C13 C14 O5 Na1 0.7(4) . . . . ?
O9 Na1 O5 C14 80.9(2) . . . . ?
O1 Na1 O5 C14 -124.6(3) . . . . ?
O5 Na1 O5 C14 -177.4(3) 2_567 . . . ?
O4 Na1 O5 C14 -2.5(2) . . . . ?
O3 Na1 O5 C14 -15.4(3) . . . . ?
Na1 Na1 O5 C14 -177.4(3) 2_567 . . . ?
O9 Na1 O5 Na1 -101.68(12) . . . 2_567 ?
O1 Na1 O5 Na1 52.7(3) . . . 2_567 ?
O5 Na1 O5 Na1 0.0 2_567 . . 2_567 ?
O4 Na1 O5 Na1 174.85(10) . . . 2_567 ?
O3 Na1 O5 Na1 161.97(9) . . . 2_567 ?
O5 C14 O6 Zn1 10.8(5) . . . 2_567 ?
C13 C14 O6 Zn1 -168.0(2) . . . 2_567 ?
O8 C18 O7 Zn1 -1.5(4) . . . . ?
C19 C18 O7 Zn1 -179.1(4) . . . . ?
O6 Zn1 O7 C18 -90.4(3) 2_567 . . . ?
O1 Zn1 O7 C18 47.0(3) . . . . ?
N1 Zn1 O7 C18 167.6(2) . . . . ?
O8 Zn1 O7 C18 0.8(2) . . . . ?
O7 C18 O8 Zn1 1.2(3) . . . . ?
C19 C18 O8 Zn1 179.0(4) . . . . ?
O6 Zn1 O8 C18 101.2(2) 2_567 . . . ?
O1 Zn1 O8 C18 -150.1(2) . . . . ?
O7 Zn1 O8 C18 -0.8(2) . . . . ?
N1 Zn1 O8 C18 -28.8(3) . . . . ?
O1 Na1 O9 C20 41.7(4) . . . . ?
O5 Na1 O9 C20 129.3(4) 2_567 . . . ?
O5 Na1 O9 C20 -146.6(4) . . . . ?
O4 Na1 O9 C20 -81.8(4) . . . . ?
O3 Na1 O9 C20 -21.7(4) . . . . ?
Na1 Na1 O9 C20 171.4(4) 2_567 . . . ?
