#------------------------------------------------------------------------------
#$Date: 2019-11-23 22:10:10 +0200 (Sat, 23 Nov 2019) $
#$Revision: 235290 $
#$URL: file:///home/coder/svn-repositories/cod/cif/7/23/62/7236230.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_7236230
loop_
_publ_author_name
'Holmberg, Rebecca J.'
'Korobkov, Ilia'
'Murugesu, Muralee'
_publ_section_title
;
 Enchaining EDTA-chelated lanthanide molecular magnets into ordered 1D
 networks
;
_journal_issue                   76
_journal_name_full               'RSC Advances'
_journal_page_first              72510
_journal_paper_doi               10.1039/C6RA09831B
_journal_volume                  6
_journal_year                    2016
_chemical_formula_sum            'C10 H28 N2 Na O16 Y'
_chemical_formula_weight         544.24
_space_group_crystal_system      orthorhombic
_space_group_IT_number           43
_space_group_name_Hall           'F 2 -2d'
_space_group_name_H-M_alt        'F d d 2'
_atom_sites_solution_hydrogens   mixed
_audit_creation_method           SHELXL-2013
_audit_update_record
;
2016-07-13 deposited with the CCDC.
2016-07-25 downloaded from the CCDC.
;
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_formula_units_Z            16
_cell_length_a                   19.2891(14)
_cell_length_b                   35.214(3)
_cell_length_c                   12.0446(9)
_cell_measurement_reflns_used    9958
_cell_measurement_temperature    200(2)
_cell_measurement_theta_max      28.42
_cell_measurement_theta_min      2.31
_cell_volume                     8181.3(11)
_computing_cell_refinement       'APEX II, Bruker (2009)'
_computing_data_collection       'APEX II, Bruker (2009)'
_computing_data_reduction        'XPREP, Bruker (2009)'
_computing_molecular_graphics    'SHELXTL, Bruker (2004)'
_computing_publication_material  'SHELXTL, Bruker (2004)'
_computing_structure_refinement  'SHELXL-2013 (Sheldrick, 2013)'
_computing_structure_solution    'SHELXS-03 (Sheldrick, 2003)'
_diffrn_ambient_temperature      200(2)
_diffrn_measured_fraction_theta_full 0.964
_diffrn_measured_fraction_theta_max 0.962
_diffrn_measurement_device_type  'Bruker APEX-II CCD'
_diffrn_measurement_method       'φ and ω scans'
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_reflns_av_R_equivalents  0.0429
_diffrn_reflns_av_unetI/netI     0.0635
_diffrn_reflns_Laue_measured_fraction_full 0.964
_diffrn_reflns_Laue_measured_fraction_max 0.962
_diffrn_reflns_limit_h_max       20
_diffrn_reflns_limit_h_min       -25
_diffrn_reflns_limit_k_max       31
_diffrn_reflns_limit_k_min       -46
_diffrn_reflns_limit_l_max       16
_diffrn_reflns_limit_l_min       -16
_diffrn_reflns_number            13330
_diffrn_reflns_point_group_measured_fraction_full 0.965
_diffrn_reflns_point_group_measured_fraction_max 0.963
_diffrn_reflns_theta_full        25.242
_diffrn_reflns_theta_max         28.420
_diffrn_reflns_theta_min         2.076
_exptl_absorpt_coefficient_mu    2.955
_exptl_absorpt_correction_T_max  0.7457
_exptl_absorpt_correction_T_min  0.6057
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   'SADABS, Bruker (2003)'
_exptl_crystal_colour            colourless
_exptl_crystal_density_diffrn    1.767
_exptl_crystal_density_meas      ?
_exptl_crystal_description       block
_exptl_crystal_F_000             4480
_exptl_crystal_size_max          0.160
_exptl_crystal_size_mid          0.150
_exptl_crystal_size_min          0.140
_refine_diff_density_max         0.894
_refine_diff_density_min         -1.086
_refine_diff_density_rms         0.213
_refine_ls_abs_structure_details
; 
 Refined as an inversion twin. 
;
_refine_ls_abs_structure_Flack   0.187(19)
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.013
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     275
_refine_ls_number_reflns         4461
_refine_ls_number_restraints     43
_refine_ls_restrained_S_all      1.009
_refine_ls_R_factor_all          0.0776
_refine_ls_R_factor_gt           0.0749
_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)+(0.1222P)²+273.1190P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1985
_refine_ls_wR_factor_ref         0.2010
_reflns_Friedel_coverage         0.914
_reflns_Friedel_fraction_full    0.966
_reflns_Friedel_fraction_max     0.964
_reflns_number_gt                4233
_reflns_number_total             4461
_reflns_threshold_expression     'I > 2σ(I)'
_cod_data_source_file            c6ra09831b2.cif
_cod_data_source_block           mm381a
_cod_depositor_comments
;
The following automatic conversions were performed:

data item '_exptl_crystal_density_meas' value 'n/a' was changed to
'?' -- the value is perceived as not measured.

Automatic conversion script
Id: cif_fix_values 6909 2019-04-08 15:41:33Z antanas 
;
_cod_database_code               7236230
_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_min   0.649
_shelx_estimated_absorpt_t_max   0.682
_shelxl_version_number           2013-4
loop_
_space_group_symop_operation_xyz
'x, y, z'
'-x, -y, z'
'x+1/4, -y+1/4, z+1/4'
'-x+1/4, y+1/4, z+1/4'
'x, y+1/2, z+1/2'
'-x, -y+1/2, z+1/2'
'x+1/4, -y+3/4, z+3/4'
'-x+1/4, y+3/4, z+3/4'
'x+1/2, y, z+1/2'
'-x+1/2, -y, z+1/2'
'x+3/4, -y+1/4, z+3/4'
'-x+3/4, y+1/4, z+3/4'
'x+1/2, y+1/2, z'
'-x+1/2, -y+1/2, z'
'x+3/4, -y+3/4, z+1/4'
'-x+3/4, y+3/4, z+1/4'
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
Y1 Y 0.16806(4) 0.09462(2) -0.00376(10) 0.0115(2) Uani 1 1 d . . . . .
Na1 Na 0.1123(3) 0.11654(16) -0.3158(4) 0.0309(11) Uani 1 1 d D . . . .
O1 O 0.2779(4) 0.0828(2) -0.0771(6) 0.0163(14) Uani 1 1 d . . . . .
O2 O 0.3528(6) 0.0434(3) -0.1549(10) 0.046(3) Uani 1 1 d . . . . .
O3 O 0.1539(4) 0.0681(2) -0.1855(6) 0.0176(15) Uani 1 1 d . . . . .
O4 O 0.1445(6) 0.0181(3) -0.2990(7) 0.034(2) Uani 1 1 d . . . . .
O5 O 0.2337(4) 0.0862(2) 0.1589(6) 0.0151(14) Uani 1 1 d . . . . .
O6 O 0.2419(5) 0.0796(3) 0.3429(8) 0.029(2) Uani 1 1 d . . . . .
O7 O 0.0478(4) 0.0811(2) -0.0347(6) 0.0185(15) Uani 1 1 d . U . . .
O8 O -0.0600(4) 0.0727(3) 0.0197(7) 0.029(2) Uani 1 1 d . U . . .
O9 O 0.1199(4) 0.1429(2) -0.1245(6) 0.0170(15) Uani 1 1 d . . . . .
H9C H 0.1431 0.1668 -0.1184 0.025 Uiso 1 1 d R U . . .
H9D H 0.0800 0.1417 -0.0711 0.025 Uiso 1 1 d R U . . .
O10 O 0.2465(4) 0.1514(2) 0.0106(6) 0.0179(14) Uani 1 1 d . . . . .
H10A H 0.2128 0.1697 -0.0120 0.027 Uiso 1 1 d R U . . .
H10B H 0.2705 0.1600 0.0802 0.027 Uiso 1 1 d R U . . .
O11 O 0.1158(4) 0.1386(2) 0.1196(7) 0.0200(16) Uani 1 1 d . . . . .
H11A H 0.0666 0.1391 0.1105 0.030 Uiso 1 1 d R U . . .
H11B H 0.1355 0.1648 0.1111 0.030 Uiso 1 1 d R U . . .
O12 O 0.0633(5) -0.0406(3) -0.3558(7) 0.0267(18) Uani 1 1 d . . . . .
H12A H 0.0556 -0.0156 -0.3278 0.040 Uiso 1 1 d R U . . .
H12B H 0.0210 -0.0568 -0.3440 0.040 Uiso 1 1 d R U . . .
O13 O 0.1324(13) 0.0712(5) -0.4629(14) 0.053(3) Uani 0.65 1 d D . P A 1
H13A H 0.1137 0.0941 -0.4927 0.079 Uiso 0.65 1 d R U P A 1
H13B H 0.1807 0.0756 -0.4344 0.079 Uiso 0.65 1 d R U P A 1
O14 O 0.2292(9) 0.1395(5) -0.3383(17) 0.053(3) Uani 0.65 1 d D . P A 1
H14A H 0.2373 0.1494 -0.2656 0.079 Uiso 0.65 1 d R U P A 1
H14B H 0.2113 0.1600 -0.3887 0.079 Uiso 0.65 1 d R U P A 1
O13' O 0.098(2) 0.0648(8) -0.446(3) 0.053(3) Uani 0.35 1 d D . P A 2
H13C H 0.0681 0.0512 -0.4945 0.079 Uiso 0.35 1 d R U P A 2
H13D H 0.1202 0.0867 -0.4862 0.079 Uiso 0.35 1 d R U P A 2
O14' O 0.2248(14) 0.1248(11) -0.395(3) 0.053(3) Uani 0.35 1 d D . P A 2
H14C H 0.1997 0.1347 -0.4565 0.079 Uiso 0.35 1 d R U P A 2
H14D H 0.2622 0.1430 -0.3715 0.079 Uiso 0.35 1 d R U P A 2
O15 O 0.3479(11) 0.0987(4) -0.3179(14) 0.077(5) Uani 1 1 d . . . . .
H15A H 0.3217 0.0809 -0.2754 0.115 Uiso 1 1 d R U . . .
H15B H 0.3638 0.1203 -0.2697 0.115 Uiso 1 1 d R U . . .
O16 O -0.0169(12) 0.0250(7) -0.5822(19) 0.052(4) Uani 0.6 1 d . . P B 2
H16A H -0.0128 0.0286 -0.5039 0.077 Uiso 0.6 1 d R U P B 2
H16B H -0.0630 0.0345 -0.6091 0.077 Uiso 0.6 1 d R U P B 2
O17 O 0.0079(18) 0.0534(10) -0.548(3) 0.052(4) Uani 0.4 1 d . . P C 1
H17A H 0.0428 0.0416 -0.5036 0.077 Uiso 0.4 1 d R U P C 1
H17B H -0.0384 0.0412 -0.5338 0.077 Uiso 0.4 1 d R U P C 1
N1 N 0.1962(4) 0.0225(2) -0.0087(8) 0.0156(15) Uani 1 1 d . . . . .
N2 N 0.1025(5) 0.0565(3) 0.1542(7) 0.0147(16) Uani 1 1 d . . . . .
C1 C 0.1747(6) 0.0024(3) 0.0937(10) 0.019(2) Uani 1 1 d . . . . .
H1A H 0.2089 0.0074 0.1533 0.023 Uiso 1 1 calc R U . . .
H1B H 0.1739 -0.0253 0.0798 0.023 Uiso 1 1 calc R U . . .
C2 C 0.1045(6) 0.0152(3) 0.1308(9) 0.019(2) Uani 1 1 d . . . . .
H2A H 0.0702 0.0091 0.0723 0.023 Uiso 1 1 calc R U . . .
H2B H 0.0913 0.0011 0.1986 0.023 Uiso 1 1 calc R U . . .
C3 C 0.2713(6) 0.0177(3) -0.0291(11) 0.026(3) Uani 1 1 d . . . . .
H3A H 0.2787 -0.0059 -0.0720 0.031 Uiso 1 1 calc R U . . .
H3B H 0.2953 0.0148 0.0431 0.031 Uiso 1 1 calc R U . . .
C4 C 0.3029(6) 0.0505(4) -0.0914(11) 0.026(2) Uani 1 1 d . . . . .
C5 C 0.1586(7) 0.0056(4) -0.1065(12) 0.027(3) Uani 1 1 d . . . . .
H5A H 0.1831 -0.0177 -0.1303 0.032 Uiso 1 1 calc R U . . .
H5B H 0.1113 -0.0018 -0.0830 0.032 Uiso 1 1 calc R U . . .
C6 C 0.1533(6) 0.0321(3) -0.2032(10) 0.020(2) Uani 1 1 d . . . . .
C7 C 0.1347(6) 0.0648(3) 0.2624(9) 0.022(2) Uani 1 1 d . . . . .
H7A H 0.1324 0.0416 0.3089 0.027 Uiso 1 1 calc R U . . .
H7B H 0.1072 0.0847 0.3000 0.027 Uiso 1 1 calc R U . . .
C8 C 0.2096(5) 0.0778(3) 0.2563(10) 0.0166(18) Uani 1 1 d . . . . .
C9 C 0.0292(5) 0.0682(4) 0.1545(9) 0.020(2) Uani 1 1 d . U . . .
H9A H 0.0240 0.0920 0.1974 0.024 Uiso 1 1 calc R U . . .
H9B H 0.0009 0.0483 0.1910 0.024 Uiso 1 1 calc R U . . .
C10 C 0.0033(5) 0.0743(3) 0.0369(9) 0.0156(18) Uani 1 1 d . 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'
Na Na 0.0362 0.0249 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Y Y -2.7962 3.5667 '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 Y1 O5 78.7(3) . .
O1 Y1 O11 137.7(3) . .
O5 Y1 O11 77.8(3) . .
O1 Y1 O3 71.8(3) . .
O5 Y1 O3 140.7(3) . .
O11 Y1 O3 141.1(3) . .
O1 Y1 O7 141.7(3) . .
O5 Y1 O7 128.7(3) . .
O11 Y1 O7 79.4(3) . .
O3 Y1 O7 70.7(3) . .
O1 Y1 O9 104.3(3) . .
O5 Y1 O9 142.7(3) . .
O11 Y1 O9 75.8(2) . .
O3 Y1 O9 71.4(3) . .
O7 Y1 O9 71.0(3) . .
O1 Y1 O10 67.7(3) . .
O5 Y1 O10 73.6(3) . .
O11 Y1 O10 72.2(3) . .
O3 Y1 O10 116.2(3) . .
O7 Y1 O10 138.7(3) . .
O9 Y1 O10 73.4(3) . .
O1 Y1 N1 68.1(3) . .
O5 Y1 N1 77.5(3) . .
O11 Y1 N1 137.8(3) . .
O3 Y1 N1 67.8(3) . .
O7 Y1 N1 90.2(3) . .
O9 Y1 N1 138.8(3) . .
O10 Y1 N1 130.8(3) . .
O1 Y1 N2 127.9(3) . .
O5 Y1 N2 66.1(3) . .
O11 Y1 N2 71.2(3) . .
O3 Y1 N2 113.9(3) . .
O7 Y1 N2 63.2(3) . .
O9 Y1 N2 127.1(3) . .
O10 Y1 N2 129.8(3) . .
N1 Y1 N2 67.7(3) . .
O1 Y1 Na1 85.6(2) . .
O5 Y1 Na1 162.9(2) . .
O11 Y1 Na1 110.5(2) . .
O3 Y1 Na1 35.2(2) . .
O7 Y1 Na1 68.3(2) . .
O9 Y1 Na1 36.3(2) . .
O10 Y1 Na1 94.2(2) . .
N1 Y1 Na1 103.0(2) . .
N2 Y1 Na1 130.3(2) . .
O1 Y1 Na1 32.0(2) . 3
O5 Y1 Na1 72.5(2) . 3
O11 Y1 Na1 106.7(2) . 3
O3 Y1 Na1 93.9(2) . 3
O7 Y1 Na1 158.7(2) . 3
O9 Y1 Na1 90.4(2) . 3
O10 Y1 Na1 35.77(19) . 3
N1 Y1 Na1 97.6(2) . 3
N2 Y1 Na1 138.0(2) . 3
Na1 Y1 Na1 90.59(10) . 3
O14 Na1 O13 89.4(8) . .
O14' Na1 O13' 86.3(15) . .
O14' Na1 O1 120.0(9) . 11_454
O14 Na1 O1 112.1(5) . 11_454
O13 Na1 O1 123.7(6) . 11_454
O13' Na1 O1 116.4(10) . 11_454
O14' Na1 O3 92.4(8) . .
O14 Na1 O3 89.9(5) . .
O13 Na1 O3 87.5(5) . .
O13' Na1 O3 85.8(9) . .
O1 Na1 O3 140.3(3) 11_454 .
O14' Na1 O9 105.6(11) . .
O14 Na1 O9 85.6(6) . .
O13 Na1 O9 156.3(6) . .
O13' Na1 O9 152.6(9) . .
O1 Na1 O9 79.4(3) 11_454 .
O3 Na1 O9 69.4(3) . .
O14' Na1 O10 172.2(10) . 11_454
O14 Na1 O10 164.3(6) . 11_454
O13 Na1 O10 104.3(7) . 11_454
O13' Na1 O10 87.1(11) . 11_454
O1 Na1 O10 66.8(3) 11_454 11_454
O3 Na1 O10 83.2(3) . 11_454
O9 Na1 O10 78.8(3) . 11_454
O14' Na1 Y1 98.8(9) . .
O14 Na1 Y1 85.3(5) . .
O13 Na1 Y1 121.3(5) . .
O13' Na1 Y1 119.7(9) . .
O1 Na1 Y1 112.2(2) 11_454 .
O3 Na1 Y1 34.25(18) . .
O9 Na1 Y1 35.21(19) . .
O10 Na1 Y1 81.1(2) 11_454 .
O14' Na1 Y1 150.7(9) . 11_454
O14 Na1 Y1 140.5(5) . 11_454
O13 Na1 Y1 120.4(6) . 11_454
O13' Na1 Y1 105.7(11) . 11_454
O1 Na1 Y1 30.74(19) 11_454 11_454
O3 Na1 Y1 114.7(3) . 11_454
O9 Na1 Y1 76.0(2) . 11_454
O10 Na1 Y1 36.05(19) 11_454 11_454
Y1 Na1 Y1 98.10(11) . 11_454
C4 O1 Y1 124.5(8) . .
C4 O1 Na1 114.9(7) . 3
Y1 O1 Na1 117.3(3) . 3
C6 O3 Y1 122.5(7) . .
C6 O3 Na1 125.2(7) . .
Y1 O3 Na1 110.5(3) . .
C8 O5 Y1 126.2(6) . .
C10 O7 Y1 126.9(7) . .
Y1 O9 Na1 108.5(3) . .
Na1 O10 Y1 108.2(3) 3 .
C3 N1 C1 111.0(9) . .
C3 N1 C5 107.3(9) . .
C1 N1 C5 109.2(8) . .
C3 N1 Y1 108.6(6) . .
C1 N1 Y1 112.9(7) . .
C5 N1 Y1 107.6(7) . .
C7 N2 C9 110.4(8) . .
C7 N2 C2 110.5(8) . .
C9 N2 C2 107.3(9) . .
C7 N2 Y1 109.6(6) . .
C9 N2 Y1 108.6(6) . .
C2 N2 Y1 110.4(6) . .
N1 C1 C2 111.0(9) . .
N2 C2 C1 112.1(9) . .
N1 C3 C4 113.0(9) . .
O1 C4 O2 124.3(13) . .
O1 C4 C3 118.3(11) . .
O2 C4 C3 117.4(12) . .
C6 C5 N1 113.3(10) . .
O4 C6 O3 122.5(11) . .
O4 C6 C5 118.3(10) . .
O3 C6 C5 119.0(10) . .
N2 C7 C8 114.7(9) . .
O6 C8 O5 125.5(9) . .
O6 C8 C7 117.5(10) . .
O5 C8 C7 117.0(9) . .
N2 C9 C10 110.7(8) . .
O7 C10 O8 125.1(10) . .
O7 C10 C9 116.7(9) . .
O8 C10 C9 118.2(9) . .
loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_site_symmetry_2
Y1 O1 2.333(7) .
Y1 O5 2.351(7) .
Y1 O11 2.371(8) .
Y1 O3 2.395(7) .
Y1 O7 2.397(8) .
Y1 O9 2.423(8) .
Y1 O10 2.513(8) .
Y1 N1 2.599(8) .
Y1 N2 2.649(9) .
Y1 Na1 3.986(5) .
Y1 Na1 4.057(5) 3
Na1 O14' 2.39(2) .
Na1 O14 2.411(18) .
Na1 O13 2.416(17) .
Na1 O13' 2.42(2) .
Na1 O1 2.418(9) 11_454
Na1 O3 2.454(9) .
Na1 O9 2.488(9) .
Na1 O10 2.496(9) 11_454
Na1 Y1 4.057(5) 11_454
O1 C4 1.246(15) .
O1 Na1 2.418(9) 3
O2 C4 1.254(16) .
O3 C6 1.284(13) .
O4 C6 1.267(13) .
O5 C8 1.297(13) .
O6 C8 1.216(14) .
O7 C10 1.240(13) .
O8 C10 1.241(12) .
O10 Na1 2.496(9) 3
N1 C3 1.479(14) .
N1 C1 1.480(14) .
N1 C5 1.505(17) .
N2 C7 1.472(13) .
N2 C9 1.473(13) .
N2 C2 1.484(14) .
C1 C2 1.494(17) .
C3 C4 1.508(18) .
C5 C6 1.497(18) .
C7 C8 1.516(14) .
C9 C10 1.517(14) .
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
C3 N1 C1 C2 165.2(9) .
C5 N1 C1 C2 -76.7(11) .
Y1 N1 C1 C2 43.0(11) .
C7 N2 C2 C1 -77.3(11) .
C9 N2 C2 C1 162.2(9) .
Y1 N2 C2 C1 44.0(10) .
N1 C1 C2 N2 -59.7(12) .
C1 N1 C3 C4 -151.3(10) .
C5 N1 C3 C4 89.5(12) .
Y1 N1 C3 C4 -26.6(11) .
Y1 O1 C4 O2 161.1(11) .
Na1 O1 C4 O2 -40.3(16) 3
Y1 O1 C4 C3 -18.7(15) .
Na1 O1 C4 C3 139.9(9) 3
N1 C3 C4 O1 31.5(16) .
N1 C3 C4 O2 -148.4(12) .
C3 N1 C5 C6 -82.9(12) .
C1 N1 C5 C6 156.8(10) .
Y1 N1 C5 C6 33.9(12) .
Y1 O3 C6 O4 178.6(10) .
Na1 O3 C6 O4 15.2(17) .
Y1 O3 C6 C5 2.7(15) .
Na1 O3 C6 C5 -160.8(8) .
N1 C5 C6 O4 156.9(11) .
N1 C5 C6 O3 -27.0(16) .
C9 N2 C7 C8 -143.6(10) .
C2 N2 C7 C8 97.8(11) .
Y1 N2 C7 C8 -24.0(11) .
Y1 O5 C8 O6 -167.2(9) .
Y1 O5 C8 C7 12.4(13) .
N2 C7 C8 O6 -169.4(10) .
N2 C7 C8 O5 11.0(14) .
C7 N2 C9 C10 158.2(9) .
C2 N2 C9 C10 -81.3(11) .
Y1 N2 C9 C10 38.0(10) .
Y1 O7 C10 O8 169.2(9) .
Y1 O7 C10 C9 -9.6(14) .
N2 C9 C10 O7 -22.7(15) .
N2 C9 C10 O8 158.4(10) .
