#------------------------------------------------------------------------------
#$Date: 2016-03-26 17:11:22 +0100 (Sat 26 de Mar de 2016) $
#$Revision: 180415 $
#$URL: svn://www.crystallography.net/cod/cif/7/20/84/7208465.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_7208465
loop_
_publ_author_name
'Kan, Wei-Qiu'
'Yang, Jin'
'Liu, Ying-Ying'
'Ma, Jian-Fang'
_publ_section_title
;
 A series of coordination polymers based on a multidentate N-donor ligand
 and different polycarboxylate anions: syntheses, structures and
 photoluminescent properties
;
_journal_issue                   19
_journal_name_full               CrystEngComm
_journal_page_first              6271
_journal_paper_doi               10.1039/c2ce25388g
_journal_volume                  14
_journal_year                    2012
_chemical_formula_moiety         'C66 H56 Cd5 N16 Na2 O34'
_chemical_formula_sum            'C66 H56 Cd5 N16 Na2 O34'
_chemical_formula_weight         2225.25
_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                94.647(2)
_cell_angle_beta                 110.543(3)
_cell_angle_gamma                92.245(3)
_cell_formula_units_Z            1
_cell_length_a                   11.2255(4)
_cell_length_b                   11.5675(3)
_cell_length_c                   15.6687(4)
_cell_measurement_reflns_used    8009
_cell_measurement_temperature    293(2)
_cell_measurement_theta_max      29.1853
_cell_measurement_theta_min      3.1444
_cell_volume                     1893.96(10)
_computing_cell_refinement       CrysAlis
_computing_data_collection       'CrysAlis (Oxford Diffraction, 2006)'
_computing_data_reduction        CrysAlis
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 2008)'
_computing_structure_solution    'SHELXL-97 (Sheldrick, 2008)'
_diffrn_ambient_temperature      293(2)
_diffrn_detector_area_resol_mean 10.0
_diffrn_measured_fraction_theta_full 0.996
_diffrn_measured_fraction_theta_max 0.996
_diffrn_measurement_device_type  'Oxford Diffraction Gemini R Ultra'
_diffrn_measurement_method       'ω scan'
_diffrn_radiation_monochromator  graphite
_diffrn_radiation_source         'fine-focus sealed tube'
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71069
_diffrn_reflns_av_R_equivalents  0.0177
_diffrn_reflns_av_sigmaI/netI    0.0315
_diffrn_reflns_limit_h_max       13
_diffrn_reflns_limit_h_min       -11
_diffrn_reflns_limit_k_max       13
_diffrn_reflns_limit_k_min       -11
_diffrn_reflns_limit_l_max       14
_diffrn_reflns_limit_l_min       -18
_diffrn_reflns_number            12105
_diffrn_reflns_theta_full        25.00
_diffrn_reflns_theta_max         25.35
_diffrn_reflns_theta_min         3.15
_exptl_absorpt_coefficient_mu    1.497
_exptl_absorpt_correction_T_max  1.00000
_exptl_absorpt_correction_T_min  0.95613
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details
;
CrysAlis (Oxford Diffraction, 2006)
;
_exptl_crystal_colour            colorless
_exptl_crystal_density_diffrn    1.951
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       block
_exptl_crystal_F_000             1098
_exptl_crystal_size_max          0.25
_exptl_crystal_size_mid          0.23
_exptl_crystal_size_min          0.20
_refine_diff_density_max         0.713
_refine_diff_density_min         -0.509
_refine_diff_density_rms         0.088
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.041
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     601
_refine_ls_number_reflns         6897
_refine_ls_number_restraints     36
_refine_ls_restrained_S_all      1.046
_refine_ls_R_factor_all          0.0346
_refine_ls_R_factor_gt           0.0298
_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)+(0.0391P)²+2.4743P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0781
_refine_ls_wR_factor_ref         0.0820
_reflns_number_gt                6156
_reflns_number_total             6897
_reflns_threshold_expression     >2σ(I)
_cod_data_source_file            c2ce25388g.txt
_cod_data_source_block           compound-4
_cod_original_sg_symbol_H-M      p-1
_cod_database_code               7208465
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
Cd1 Cd 0.0000 -0.5000 0.5000 0.02951(10) Uani 1 2 d S
Cd2 Cd 0.76643(2) -0.00224(2) 0.482409(16) 0.02533(8) Uani 1 1 d .
Cd3 Cd 0.64380(2) 0.15250(2) 0.262856(17) 0.03133(9) Uani 1 1 d .
Na1 Na 0.59215(14) 0.06479(14) 0.61893(11) 0.0389(4) Uani 1 1 d .
C1 C 0.0844(4) -0.3650(4) 0.3523(3) 0.0373(9) Uani 1 1 d .
H1 H 0.1498 -0.3313 0.4045 0.045 Uiso 1 1 calc R
C2 C 0.0835(4) -0.3386(4) 0.2676(3) 0.0379(9) Uani 1 1 d .
H2 H 0.1482 -0.2897 0.2630 0.045 Uiso 1 1 calc R
C3 C -0.0147(4) -0.3860(3) 0.1903(2) 0.0310(8) Uani 1 1 d .
C4 C -0.1082(4) -0.4577(4) 0.2003(3) 0.0486(11) Uani 1 1 d .
H4 H -0.1765 -0.4901 0.1493 0.058 Uiso 1 1 calc R
C5 C -0.0988(5) -0.4809(4) 0.2876(3) 0.0534(12) Uani 1 1 d .
H5 H -0.1621 -0.5301 0.2939 0.064 Uiso 1 1 calc R
C6 C -0.0196(4) -0.3651(3) 0.0970(3) 0.0323(8) Uani 1 1 d .
C7 C 0.0317(4) -0.3221(4) -0.0133(3) 0.0356(9) Uani 1 1 d .
C8 C 0.1055(4) -0.2834(4) -0.0692(3) 0.0377(9) Uani 1 1 d .
C9 C 0.0490(4) -0.2425(4) -0.1541(3) 0.0408(10) Uani 1 1 d .
H9 H -0.0385 -0.2353 -0.1776 0.049 Uiso 1 1 calc R
C10 C 0.1238(4) -0.2131(4) -0.2027(3) 0.0386(9) Uani 1 1 d .
H10 H 0.0844 -0.1887 -0.2605 0.046 Uiso 1 1 calc R
C11 C 0.3045(4) -0.2535(5) -0.0891(3) 0.0589(14) Uani 1 1 d .
H11 H 0.3928 -0.2554 -0.0657 0.071 Uiso 1 1 calc R
C12 C 0.2359(4) -0.2880(5) -0.0369(3) 0.0597(14) Uani 1 1 d .
H12 H 0.2774 -0.3142 0.0199 0.072 Uiso 1 1 calc R
C13 C -0.1846(4) -0.3941(4) -0.1369(3) 0.0446(10) Uani 1 1 d .
H13A H -0.2301 -0.4684 -0.1405 0.053 Uiso 1 1 calc R
H13B H -0.1427 -0.3999 -0.1815 0.053 Uiso 1 1 calc R
C14 C -0.3388(4) -0.1394(4) -0.1846(3) 0.0491(11) Uani 1 1 d .
H14 H -0.3424 -0.0610 -0.1937 0.059 Uiso 1 1 calc R
C15 C -0.4000(4) -0.3110(4) -0.1754(3) 0.0431(10) Uani 1 1 d .
H15 H -0.4481 -0.3783 -0.1756 0.052 Uiso 1 1 calc R
C16 C 0.4944(4) -0.4808(3) 0.6162(2) 0.0304(8) Uani 1 1 d .
H16 H 0.4562 -0.5473 0.6281 0.036 Uiso 1 1 calc R
C17 C 0.6190(4) -0.4794(3) 0.6196(3) 0.0330(8) Uani 1 1 d .
H17 H 0.6659 -0.5436 0.6367 0.040 Uiso 1 1 calc R
C18 C 0.6740(3) -0.3830(3) 0.5977(2) 0.0297(8) Uani 1 1 d .
H18 H 0.7576 -0.3830 0.5993 0.036 Uiso 1 1 calc R
C19 C 0.6054(3) -0.2856(3) 0.5731(2) 0.0234(7) Uani 1 1 d .
C20 C 0.4820(3) -0.2835(3) 0.5754(2) 0.0230(7) Uani 1 1 d .
C21 C 0.4258(3) -0.3829(3) 0.5949(2) 0.0247(7) Uani 1 1 d .
C22 C 0.2902(3) -0.3880(3) 0.5924(2) 0.0268(8) Uani 1 1 d .
C23 C 0.4078(3) -0.1769(3) 0.5567(2) 0.0256(7) Uani 1 1 d .
C24 C 0.6640(3) -0.1881(3) 0.5396(2) 0.0259(7) Uani 1 1 d .
C25 C 1.0865(4) -0.0431(3) 0.3241(3) 0.0313(8) Uani 1 1 d .
C26 C 0.8222(3) -0.0399(3) 0.3250(2) 0.0306(8) Uani 1 1 d .
C27 C 0.6075(4) -0.0991(4) 0.1492(3) 0.0479(11) Uani 1 1 d .
C28 C 0.7445(4) -0.0849(4) 0.1533(3) 0.0388(9) Uani 1 1 d .
C29 C 0.7676(4) -0.0959(4) 0.0721(3) 0.0509(12) Uani 1 1 d .
H29 H 0.6996 -0.1126 0.0170 0.061 Uiso 1 1 calc R
C30 C 0.8901(4) -0.0824(4) 0.0716(3) 0.0498(11) Uani 1 1 d .
H30 H 0.9039 -0.0847 0.0164 0.060 Uiso 1 1 calc R
C31 C 0.9915(4) -0.0657(4) 0.1532(3) 0.0407(10) Uani 1 1 d .
H31 H 1.0741 -0.0598 0.1526 0.049 Uiso 1 1 calc R
C32 C 0.9725(3) -0.0574(3) 0.2367(2) 0.0297(8) Uani 1 1 d .
C33 C 0.8476(3) -0.0632(3) 0.2371(2) 0.0293(8) Uani 1 1 d .
N1 N -0.0045(3) -0.4367(3) 0.3624(2) 0.0364(7) Uani 1 1 d .
N2 N 0.0794(3) -0.3224(3) 0.0768(2) 0.0344(7) Uani 1 1 d .
N3 N -0.1243(3) -0.3947(3) 0.0258(2) 0.0407(8) Uani 1 1 d .
N4 N -0.0899(3) -0.3665(3) -0.0454(2) 0.0400(8) Uani 1 1 d .
N5 N 0.2500(3) -0.2175(3) -0.1717(2) 0.0393(8) Uani 1 1 d .
N6 N -0.2743(3) -0.3033(3) -0.1574(2) 0.0394(8) Uani 1 1 d .
N7 N -0.2334(3) -0.1930(3) -0.1632(3) 0.0472(9) Uani 1 1 d .
N8 N -0.4445(3) -0.2115(3) -0.1925(2) 0.0421(8) Uani 1 1 d .
O1 O 0.2201(2) -0.4774(2) 0.55307(18) 0.0349(6) Uani 1 1 d .
O2 O 0.2540(2) -0.3026(2) 0.62990(19) 0.0367(6) Uani 1 1 d .
O3 O 0.3222(2) -0.1736(2) 0.48052(18) 0.0349(6) Uani 1 1 d .
O4 O 0.4310(3) -0.0959(2) 0.62178(17) 0.0316(6) Uani 1 1 d .
O5 O 0.5971(2) -0.1038(2) 0.50929(17) 0.0300(6) Uani 1 1 d .
O6 O 0.7745(3) -0.1918(2) 0.5409(2) 0.0394(7) Uani 1 1 d .
O7 O 0.7935(3) -0.1211(3) 0.36292(19) 0.0447(7) Uani 1 1 d .
O8 O 0.8225(2) 0.0655(2) 0.35513(16) 0.0314(6) Uani 1 1 d .
O9 O 0.5708(3) -0.0268(3) 0.1978(2) 0.0489(7) Uani 1 1 d .
O10 O 0.5391(3) -0.1809(4) 0.0989(3) 0.0820(13) Uani 1 1 d .
O11 O 1.0630(2) -0.0451(2) 0.39689(17) 0.0373(6) Uani 1 1 d .
O12 O 1.1942(3) -0.0316(3) 0.31940(19) 0.0432(7) Uani 1 1 d .
O1W O 0.0153(3) -0.6892(3) 0.4432(2) 0.0536(8) Uani 1 1 d .
O2W O 0.6828(6) -0.3341(4) 0.3229(4) 0.1192(19) Uani 1 1 d .
O3WA O 0.446(2) -0.1820(18) 0.2741(15) 0.066(5) Uani 0.25 1 d PU
O3W O 0.463(2) -0.2221(19) 0.3070(15) 0.086(7) Uani 0.25 1 d PU
O3WB O 0.3785(17) -0.1598(13) 0.2329(11) 0.048(3) Uani 0.25 1 d PU
O3WC O 0.3118(16) -0.1433(13) 0.1576(19) 0.098(7) Uani 0.25 1 d P
O4W O 0.5664(13) -0.4812(10) 0.1683(8) 0.126(4) Uani 0.50 1 d PU
O4WA O 0.4644(17) -0.4344(13) 0.1488(11) 0.065(4) Uani 0.25 1 d PU
O4WB O 0.382(2) -0.3990(16) 0.1718(13) 0.098(6) Uani 0.25 1 d PU
O5W O 0.6031(6) -0.3765(5) 0.0253(4) 0.1196(18) 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'
Cd Cd -0.8075 1.2024 '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
O1 Cd1 O1 180.000(1) 2_546 .
O1 Cd1 N1 90.90(11) 2_546 .
O1 Cd1 N1 89.10(11) . .
O1 Cd1 N1 89.10(11) 2_546 2_546
O1 Cd1 N1 90.90(11) . 2_546
N1 Cd1 N1 180.000(1) . 2_546
O1 Cd1 O1W 87.77(10) 2_546 2_546
O1 Cd1 O1W 92.23(10) . 2_546
N1 Cd1 O1W 90.86(12) . 2_546
N1 Cd1 O1W 89.14(12) 2_546 2_546
O1 Cd1 O1W 92.23(10) 2_546 .
O1 Cd1 O1W 87.77(10) . .
N1 Cd1 O1W 89.14(12) . .
N1 Cd1 O1W 90.86(12) 2_546 .
O1W Cd1 O1W 180.000(1) 2_546 .
O11 Cd2 O7 116.29(10) 2_756 .
O11 Cd2 O5 115.38(9) 2_756 .
O7 Cd2 O5 103.12(9) . .
O11 Cd2 O3 88.83(9) 2_756 2_656
O7 Cd2 O3 144.37(9) . 2_656
O5 Cd2 O3 86.27(8) . 2_656
O11 Cd2 O6 84.73(10) 2_756 .
O7 Cd2 O6 79.01(9) . .
O5 Cd2 O6 54.14(8) . .
O3 Cd2 O6 130.93(8) 2_656 .
O11 Cd2 O8 104.20(9) 2_756 .
O7 Cd2 O8 54.07(9) . .
O5 Cd2 O8 140.35(8) . .
O3 Cd2 O8 97.16(8) 2_656 .
O6 Cd2 O8 131.58(8) . .
O11 Cd2 O4 138.75(9) 2_756 2_656
O7 Cd2 O4 95.65(9) . 2_656
O5 Cd2 O4 78.66(8) . 2_656
O3 Cd2 O4 52.01(8) 2_656 2_656
O6 Cd2 O4 128.82(9) . 2_656
O8 Cd2 O4 72.97(8) . 2_656
O11 Cd2 C24 100.06(10) 2_756 .
O7 Cd2 C24 91.63(10) . .
O5 Cd2 C24 27.50(9) . .
O3 Cd2 C24 109.30(9) 2_656 .
O6 Cd2 C24 26.66(9) . .
O8 Cd2 C24 144.24(9) . .
O4 Cd2 C24 104.64(9) 2_656 .
O11 Cd2 C26 112.16(10) 2_756 .
O7 Cd2 C26 26.64(10) . .
O5 Cd2 C26 124.21(10) . .
O3 Cd2 C26 122.42(10) 2_656 .
O6 Cd2 C26 104.85(10) . .
O8 Cd2 C26 27.45(10) . .
O4 Cd2 C26 84.52(9) 2_656 .
C24 Cd2 C26 117.87(11) . .
O11 Cd2 Na1 87.29(7) 2_756 .
O7 Cd2 Na1 149.45(8) . .
O5 Cd2 Na1 46.91(7) . .
O3 Cd2 Na1 46.52(6) 2_656 .
O6 Cd2 Na1 84.55(6) . .
O8 Cd2 Na1 142.29(6) . .
O4 Cd2 Na1 74.96(6) 2_656 .
C24 Cd2 Na1 63.89(7) . .
C26 Cd2 Na1 158.80(8) . .
O11 Cd2 Na1 148.60(7) 2_756 2_656
O7 Cd2 Na1 91.45(8) . 2_656
O5 Cd2 Na1 38.86(6) . 2_656
O3 Cd2 Na1 74.37(7) 2_656 2_656
O6 Cd2 Na1 86.65(7) . 2_656
O8 Cd2 Na1 104.09(6) . 2_656
O4 Cd2 Na1 42.31(6) 2_656 2_656
C24 Cd2 Na1 62.67(8) . 2_656
C26 Cd2 Na1 99.23(8) . 2_656
Na1 Cd2 Na1 61.83(4) . 2_656
O9 Cd3 O2 161.06(11) . 2_656
O9 Cd3 N8 88.45(12) . 2
O2 Cd3 N8 104.38(12) 2_656 2
O9 Cd3 N5 102.61(12) . 2_655
O2 Cd3 N5 88.58(11) 2_656 2_655
N8 Cd3 N5 101.63(12) 2 2_655
O9 Cd3 O8 85.69(10) . .
O2 Cd3 O8 78.50(9) 2_656 .
N8 Cd3 O8 165.47(11) 2 .
N5 Cd3 O8 92.62(10) 2_655 .
O9 Cd3 O4 83.66(10) . 2_656
O2 Cd3 O4 83.33(9) 2_656 2_656
N8 Cd3 O4 86.36(11) 2 2_656
N5 Cd3 O4 169.85(11) 2_655 2_656
O8 Cd3 O4 79.79(9) . 2_656
O3WA Na1 O3W 17.7(6) 2_656 2_656
O3WA Na1 O12 105.5(7) 2_656 2_756
O3W Na1 O12 113.4(6) 2_656 2_756
O3WA Na1 O3WB 21.3(6) 2_656 2_656
O3W Na1 O3WB 36.6(6) 2_656 2_656
O12 Na1 O3WB 85.5(4) 2_756 2_656
O3WA Na1 O5 96.5(7) 2_656 2_656
O3W Na1 O5 83.4(6) 2_656 2_656
O12 Na1 O5 151.61(11) 2_756 2_656
O3WB Na1 O5 117.7(4) 2_656 2_656
O3WA Na1 O3 112.6(5) 2_656 2_656
O3W Na1 O3 97.7(6) 2_656 2_656
O12 Na1 O3 79.50(10) 2_756 2_656
O3WB Na1 O3 116.7(4) 2_656 2_656
O5 Na1 O3 75.54(9) 2_656 2_656
O3WA Na1 O5 164.9(5) 2_656 .
O3W Na1 O5 165.6(6) 2_656 .
O12 Na1 O5 80.73(10) 2_756 .
O3WB Na1 O5 154.5(4) 2_656 .
O5 Na1 O5 82.56(10) 2_656 .
O3 Na1 O5 81.85(9) 2_656 .
O3WA Na1 O4 92.9(5) 2_656 .
O3W Na1 O4 101.9(6) 2_656 .
O12 Na1 O4 117.30(11) 2_756 .
O3WB Na1 O4 95.8(4) 2_656 .
O5 Na1 O4 78.50(9) 2_656 .
O3 Na1 O4 145.21(11) 2_656 .
O5 Na1 O4 72.10(9) . .
O3WA Na1 Cd2 151.0(5) 2_656 .
O3W Na1 Cd2 141.0(6) 2_656 .
O12 Na1 Cd2 58.41(8) 2_756 .
O3WB Na1 Cd2 139.6(4) 2_656 .
O5 Na1 Cd2 93.90(7) 2_656 .
O3 Na1 Cd2 44.71(6) 2_656 .
O5 Na1 Cd2 43.73(6) . .
O4 Na1 Cd2 115.73(7) . .
O3WA Na1 Na1 136.5(7) 2_656 2_656
O3W Na1 Na1 125.2(6) 2_656 2_656
O12 Na1 Na1 118.00(10) 2_756 2_656
O3WB Na1 Na1 156.1(4) 2_656 2_656
O5 Na1 Na1 41.91(7) 2_656 2_656
O3 Na1 Na1 74.96(8) 2_656 2_656
O5 Na1 Na1 40.64(6) . 2_656
O4 Na1 Na1 70.25(8) . 2_656
Cd2 Na1 Na1 63.76(4) . 2_656
O3WA Na1 Cd2 85.4(6) 2_656 2_656
O3W Na1 Cd2 82.1(6) 2_656 2_656
O12 Na1 Cd2 159.43(10) 2_756 2_656
O3WB Na1 Cd2 102.0(4) 2_656 2_656
O5 Na1 Cd2 37.53(6) 2_656 2_656
O3 Na1 Cd2 112.91(8) 2_656 2_656
O5 Na1 Cd2 84.80(7) . 2_656
O4 Na1 Cd2 43.47(6) . 2_656
Cd2 Na1 Cd2 118.17(4) . 2_656
Na1 Na1 Cd2 54.41(4) 2_656 2_656
N1 C1 C2 122.8(4) . .
N1 C1 H1 118.6 . .
C2 C1 H1 118.6 . .
C3 C2 C1 118.9(4) . .
C3 C2 H2 120.5 . .
C1 C2 H2 120.5 . .
C4 C3 C2 118.6(3) . .
C4 C3 C6 119.5(4) . .
C2 C3 C6 122.0(3) . .
C3 C4 C5 118.7(4) . .
C3 C4 H4 120.6 . .
C5 C4 H4 120.6 . .
N1 C5 C4 123.3(4) . .
N1 C5 H5 118.3 . .
C4 C5 H5 118.3 . .
N3 C6 N2 114.8(3) . .
N3 C6 C3 120.1(3) . .
N2 C6 C3 124.9(4) . .
N2 C7 N4 109.7(3) . .
N2 C7 C8 124.2(4) . .
N4 C7 C8 126.0(3) . .
C12 C8 C9 117.6(3) . .
C12 C8 C7 119.4(3) . .
C9 C8 C7 123.0(4) . .
C10 C9 C8 119.1(4) . .
C10 C9 H9 120.5 . .
C8 C9 H9 120.5 . .
N5 C10 C9 123.4(4) . .
N5 C10 H10 118.3 . .
C9 C10 H10 118.3 . .
N5 C11 C12 122.9(4) . .
N5 C11 H11 118.6 . .
C12 C11 H11 118.6 . .
C8 C12 C11 119.5(4) . .
C8 C12 H12 120.2 . .
C11 C12 H12 120.2 . .
N4 C13 N6 109.7(3) . .
N4 C13 H13A 109.7 . .
N6 C13 H13A 109.7 . .
N4 C13 H13B 109.7 . .
N6 C13 H13B 109.7 . .
H13A C13 H13B 108.2 . .
N7 C14 N8 113.1(4) . .
N7 C14 H14 123.4 . .
N8 C14 H14 123.4 . .
N8 C15 N6 109.9(4) . .
N8 C15 H15 125.1 . .
N6 C15 H15 125.1 . .
C17 C16 C21 120.2(3) . .
C17 C16 H16 119.9 . .
C21 C16 H16 119.9 . .
C18 C17 C16 120.1(3) . .
C18 C17 H17 119.9 . .
C16 C17 H17 119.9 . .
C17 C18 C19 120.6(3) . .
C17 C18 H18 119.7 . .
C19 C18 H18 119.7 . .
C18 C19 C20 119.5(3) . .
C18 C19 C24 118.6(3) . .
C20 C19 C24 121.8(3) . .
C21 C20 C19 119.3(3) . .
C21 C20 C23 119.1(3) . .
C19 C20 C23 121.6(3) . .
C16 C21 C20 120.1(3) . .
C16 C21 C22 118.4(3) . .
C20 C21 C22 121.5(3) . .
O1 C22 O2 123.8(3) . .
O1 C22 C21 117.6(3) . .
O2 C22 C21 118.6(3) . .
O3 C23 O4 122.6(3) . .
O3 C23 C20 119.2(3) . .
O4 C23 C20 118.0(3) . .
O6 C24 O5 121.5(3) . .
O6 C24 C19 119.8(3) . .
O5 C24 C19 118.7(3) . .
O6 C24 Cd2 62.21(18) . .
O5 C24 Cd2 59.39(17) . .
C19 C24 Cd2 177.3(2) . .
O12 C25 O11 125.5(4) . .
O12 C25 C32 118.6(3) . .
O11 C25 C32 115.8(3) . .
O7 C26 O8 121.4(3) . .
O7 C26 C33 120.7(3) . .
O8 C26 C33 117.7(3) . .
O7 C26 Cd2 57.95(19) . .
O8 C26 Cd2 63.50(18) . .
C33 C26 Cd2 177.7(3) . .
O10 C27 O9 123.8(4) . .
O10 C27 C28 117.8(4) . .
O9 C27 C28 118.4(4) . .
C29 C28 C33 119.6(4) . .
C29 C28 C27 118.5(4) . .
C33 C28 C27 121.9(3) . .
C30 C29 C28 121.0(4) . .
C30 C29 H29 119.5 . .
C28 C29 H29 119.5 . .
C31 C30 C29 119.7(4) . .
C31 C30 H30 120.2 . .
C29 C30 H30 120.2 . .
C30 C31 C32 121.0(4) . .
C30 C31 H31 119.5 . .
C32 C31 H31 119.5 . .
C31 C32 C33 119.3(3) . .
C31 C32 C25 119.1(3) . .
C33 C32 C25 121.6(3) . .
C32 C33 C28 119.2(3) . .
C32 C33 C26 121.0(3) . .
C28 C33 C26 119.7(3) . .
C5 N1 C1 117.6(3) . .
C5 N1 Cd1 117.1(3) . .
C1 N1 Cd1 125.2(3) . .
C7 N2 C6 103.4(3) . .
C6 N3 N4 102.6(3) . .
C7 N4 N3 109.4(3) . .
C7 N4 C13 133.8(3) . .
N3 N4 C13 116.7(3) . .
C10 N5 C11 117.4(3) . .
C10 N5 Cd3 116.8(2) . 2_655
C11 N5 Cd3 125.7(3) . 2_655
C15 N6 N7 110.4(3) . .
C15 N6 C13 129.4(4) . .
N7 N6 C13 120.2(3) . .
C14 N7 N6 102.4(4) . .
C15 N8 C14 104.2(4) . .
C15 N8 Cd3 133.8(3) . 2
C14 N8 Cd3 119.6(3) . 2
C22 O1 Cd1 127.9(2) . .
C22 O2 Cd3 134.3(2) . 2_656
C23 O3 Cd2 97.5(2) . 2_656
C23 O3 Na1 109.4(2) . 2_656
Cd2 O3 Na1 88.77(9) 2_656 2_656
C23 O4 Cd3 111.4(2) . 2_656
C23 O4 Na1 113.3(2) . .
Cd3 O4 Na1 133.16(12) 2_656 .
C23 O4 Cd2 87.6(2) . 2_656
Cd3 O4 Cd2 100.98(9) 2_656 2_656
Na1 O4 Cd2 94.23(9) . 2_656
C24 O5 Cd2 93.1(2) . .
C24 O5 Na1 139.7(2) . 2_656
Cd2 O5 Na1 103.61(9) . 2_656
C24 O5 Na1 119.5(2) . .
Cd2 O5 Na1 89.36(9) . .
Na1 O5 Na1 97.44(10) 2_656 .
C24 O6 Cd2 91.1(2) . .
C26 O7 Cd2 95.4(2) . .
C26 O8 Cd3 111.1(2) . .
C26 O8 Cd2 89.0(2) . .
Cd3 O8 Cd2 106.26(9) . .
C27 O9 Cd3 132.9(3) . .
C25 O11 Cd2 111.5(2) . 2_756
C25 O12 Na1 147.8(3) . 2_756
O3W O3WA O3WB 140(5) . .
O3W O3WA Na1 86(3) . 2_656
O3WB O3WA Na1 89.5(18) . 2_656
O3WA O3W Na1 76(3) . 2_656
O3WB O3W Na1 75.1(10) . 2_656
O3WA O3WB O3WC 156(2) . .
O3WC O3WB O3W 158.4(16) . .
O3WA O3WB Na1 69.3(16) . 2_656
O3WC O3WB Na1 132.7(13) . 2_656
O3W O3WB Na1 68.3(10) . 2_656
O4WB O4WA O4W 148.9(19) . .
loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_site_symmetry_2
Cd1 O1 2.310(3) 2_546
Cd1 O1 2.310(3) .
Cd1 N1 2.317(3) .
Cd1 N1 2.317(3) 2_546
Cd1 O1W 2.330(3) 2_546
Cd1 O1W 2.330(3) .
Cd2 O11 2.180(3) 2_756
Cd2 O7 2.346(3) .
Cd2 O5 2.374(2) .
Cd2 O3 2.417(3) 2_656
Cd2 O6 2.437(3) .
Cd2 O8 2.466(2) .
Cd2 O4 2.613(3) 2_656
Cd2 C24 2.754(3) .
Cd2 C26 2.755(3) .
Cd2 Na1 3.4339(15) .
Cd2 Na1 3.7878(16) 2_656
Cd3 O9 2.225(3) .
Cd3 O2 2.274(3) 2_656
Cd3 N8 2.280(3) 2
Cd3 N5 2.308(3) 2_655
Cd3 O8 2.342(2) .
Cd3 O4 2.370(2) 2_656
Na1 O3WA 2.238(18) 2_656
Na1 O3W 2.30(2) 2_656
Na1 O12 2.311(3) 2_756
Na1 O3WB 2.393(14) 2_656
Na1 O5 2.445(3) 2_656
Na1 O3 2.492(3) 2_656
Na1 O5 2.508(3) .
Na1 O4 2.556(3) .
Na1 Na1 3.723(3) 2_656
Na1 Cd2 3.7878(16) 2_656
C1 N1 1.333(5) .
C1 C2 1.382(5) .
C1 H1 0.9300 .
C2 C3 1.375(6) .
C2 H2 0.9300 .
C3 C4 1.372(6) .
C3 C6 1.482(5) .
C4 C5 1.384(6) .
C4 H4 0.9300 .
C5 N1 1.321(5) .
C5 H5 0.9300 .
C6 N3 1.315(5) .
C6 N2 1.345(5) .
C7 N2 1.322(5) .
C7 N4 1.343(5) .
C7 C8 1.483(5) .
C8 C12 1.375(6) .
C8 C9 1.388(5) .
C9 C10 1.368(5) .
C9 H9 0.9300 .
C10 N5 1.331(5) .
C10 H10 0.9300 .
C11 N5 1.332(5) .
C11 C12 1.376(6) .
C11 H11 0.9300 .
C12 H12 0.9300 .
C13 N4 1.455(5) .
C13 N6 1.459(5) .
C13 H13A 0.9700 .
C13 H13B 0.9700 .
C14 N7 1.307(6) .
C14 N8 1.386(6) .
C14 H14 0.9300 .
C15 N8 1.283(5) .
C15 N6 1.335(5) .
C15 H15 0.9300 .
C16 C17 1.380(5) .
C16 C21 1.391(5) .
C16 H16 0.9300 .
C17 C18 1.377(5) .
C17 H17 0.9300 .
C18 C19 1.393(5) .
C18 H18 0.9300 .
C19 C20 1.400(5) .
C19 C24 1.504(5) .
C20 C21 1.396(5) .
C20 C23 1.507(5) .
C21 C22 1.508(5) .
C22 O1 1.249(4) .
C22 O2 1.262(4) .
C23 O3 1.247(4) .
C23 O4 1.275(4) .
C24 O6 1.236(4) .
C24 O5 1.274(4) .
C25 O12 1.239(4) .
C25 O11 1.260(4) .
C25 C32 1.503(5) .
C26 O7 1.241(5) .
C26 O8 1.270(5) .
C26 C33 1.509(5) .
C27 O10 1.226(5) .
C27 O9 1.262(5) .
C27 C28 1.518(6) .
C28 C29 1.382(6) .
C28 C33 1.408(5) .
C29 C30 1.381(6) .
C29 H29 0.9300 .
C30 C31 1.373(6) .
C30 H30 0.9300 .
C31 C32 1.394(5) .
C31 H31 0.9300 .
C32 C33 1.403(5) .
N3 N4 1.361(4) .
N5 Cd3 2.308(3) 2_655
N6 N7 1.361(5) .
N8 Cd3 2.280(3) 2
O2 Cd3 2.274(3) 2_656
O3 Cd2 2.417(3) 2_656
O3 Na1 2.492(3) 2_656
O4 Cd3 2.370(2) 2_656
O4 Cd2 2.613(3) 2_656
O5 Na1 2.445(3) 2_656
O11 Cd2 2.180(3) 2_756
O12 Na1 2.311(3) 2_756
O3WA O3W 0.70(2) .
O3WA O3WB 0.87(2) .
O3WA Na1 2.238(18) 2_656
O3W O3WB 1.48(3) .
O3W Na1 2.30(2) 2_656
O3WB O3WC 1.19(3) .
O3WB Na1 2.393(14) 2_656
O4W O4WA 1.236(19) .
O4WA O4WB 1.18(2) .
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
O11 Cd2 Na1 O3WA 44.9(14) 2_756 2_656
O7 Cd2 Na1 O3WA -172.7(14) . 2_656
O5 Cd2 Na1 O3WA 174.1(14) . 2_656
O3 Cd2 Na1 O3WA -46.0(14) 2_656 2_656
O6 Cd2 Na1 O3WA 129.9(14) . 2_656
O8 Cd2 Na1 O3WA -65.0(14) . 2_656
O4 Cd2 Na1 O3WA -97.4(14) 2_656 2_656
C24 Cd2 Na1 O3WA 147.5(14) . 2_656
C26 Cd2 Na1 O3WA -112.3(14) . 2_656
Na1 Cd2 Na1 O3WA -141.0(14) 2_656 2_656
O11 Cd2 Na1 O3W 71.5(9) 2_756 2_656
O7 Cd2 Na1 O3W -146.1(9) . 2_656
O5 Cd2 Na1 O3W -159.3(9) . 2_656
O3 Cd2 Na1 O3W -19.5(9) 2_656 2_656
O6 Cd2 Na1 O3W 156.4(9) . 2_656
O8 Cd2 Na1 O3W -38.4(9) . 2_656
O4 Cd2 Na1 O3W -70.9(9) 2_656 2_656
C24 Cd2 Na1 O3W 174.1(9) . 2_656
C26 Cd2 Na1 O3W -85.8(10) . 2_656
Na1 Cd2 Na1 O3W -114.4(9) 2_656 2_656
O11 Cd2 Na1 O12 -17.52(12) 2_756 2_756
O7 Cd2 Na1 O12 124.87(17) . 2_756
O5 Cd2 Na1 O12 111.67(13) . 2_756
O3 Cd2 Na1 O12 -108.48(13) 2_656 2_756
O6 Cd2 Na1 O12 67.44(12) . 2_756
O8 Cd2 Na1 O12 -127.41(14) . 2_756
O4 Cd2 Na1 O12 -159.90(11) 2_656 2_756
C24 Cd2 Na1 O12 85.07(13) . 2_756
C26 Cd2 Na1 O12 -174.8(2) . 2_756
Na1 Cd2 Na1 O12 156.56(11) 2_656 2_756
O11 Cd2 Na1 O3WB 12.7(6) 2_756 2_656
O7 Cd2 Na1 O3WB 155.1(6) . 2_656
O5 Cd2 Na1 O3WB 141.9(6) . 2_656
O3 Cd2 Na1 O3WB -78.3(6) 2_656 2_656
O6 Cd2 Na1 O3WB 97.6(6) . 2_656
O8 Cd2 Na1 O3WB -97.2(6) . 2_656
O4 Cd2 Na1 O3WB -129.7(6) 2_656 2_656
C24 Cd2 Na1 O3WB 115.3(6) . 2_656
C26 Cd2 Na1 O3WB -144.6(7) . 2_656
Na1 Cd2 Na1 O3WB -173.2(6) 2_656 2_656
O11 Cd2 Na1 O5 155.83(10) 2_756 2_656
O7 Cd2 Na1 O5 -61.78(17) . 2_656
O5 Cd2 Na1 O5 -74.98(11) . 2_656
O3 Cd2 Na1 O5 64.87(11) 2_656 2_656
O6 Cd2 Na1 O5 -119.21(10) . 2_656
O8 Cd2 Na1 O5 45.94(13) . 2_656
O4 Cd2 Na1 O5 13.45(9) 2_656 2_656
C24 Cd2 Na1 O5 -101.58(11) . 2_656
C26 Cd2 Na1 O5 -1.4(3) . 2_656
Na1 Cd2 Na1 O5 -30.10(6) 2_656 2_656
O11 Cd2 Na1 O3 90.96(12) 2_756 2_656
O7 Cd2 Na1 O3 -126.65(17) . 2_656
O5 Cd2 Na1 O3 -139.86(13) . 2_656
O6 Cd2 Na1 O3 175.92(11) . 2_656
O8 Cd2 Na1 O3 -18.93(14) . 2_656
O4 Cd2 Na1 O3 -51.42(11) 2_656 2_656
C24 Cd2 Na1 O3 -166.45(12) . 2_656
C26 Cd2 Na1 O3 -66.3(3) . 2_656
Na1 Cd2 Na1 O3 -94.97(10) 2_656 2_656
O11 Cd2 Na1 O5 -129.19(11) 2_756 .
O7 Cd2 Na1 O5 13.20(18) . .
O3 Cd2 Na1 O5 139.86(13) 2_656 .
O6 Cd2 Na1 O5 -44.23(11) . .
O8 Cd2 Na1 O5 120.92(13) . .
O4 Cd2 Na1 O5 88.44(10) 2_656 .
C24 Cd2 Na1 O5 -26.60(11) . .
C26 Cd2 Na1 O5 73.6(3) . .
Na1 Cd2 Na1 O5 44.89(8) 2_656 .
O11 Cd2 Na1 O4 -125.05(11) 2_756 .
O7 Cd2 Na1 O4 17.33(18) . .
O5 Cd2 Na1 O4 4.13(10) . .
O3 Cd2 Na1 O4 143.99(13) 2_656 .
O6 Cd2 Na1 O4 -40.09(11) . .
O8 Cd2 Na1 O4 125.05(13) . .
O4 Cd2 Na1 O4 92.57(9) 2_656 .
C24 Cd2 Na1 O4 -22.47(11) . .
C26 Cd2 Na1 O4 77.7(3) . .
Na1 Cd2 Na1 O4 49.02(8) 2_656 .
O11 Cd2 Na1 Na1 -174.07(8) 2_756 2_656
O7 Cd2 Na1 Na1 -31.68(16) . 2_656
O5 Cd2 Na1 Na1 -44.89(8) . 2_656
O3 Cd2 Na1 Na1 94.97(10) 2_656 2_656
O6 Cd2 Na1 Na1 -89.11(8) . 2_656
O8 Cd2 Na1 Na1 76.04(12) . 2_656
O4 Cd2 Na1 Na1 43.55(7) 2_656 2_656
C24 Cd2 Na1 Na1 -71.48(9) . 2_656
C26 Cd2 Na1 Na1 28.7(3) . 2_656
O11 Cd2 Na1 Cd2 -174.07(8) 2_756 2_656
O7 Cd2 Na1 Cd2 -31.68(16) . 2_656
O5 Cd2 Na1 Cd2 -44.89(8) . 2_656
O3 Cd2 Na1 Cd2 94.97(10) 2_656 2_656
O6 Cd2 Na1 Cd2 -89.11(8) . 2_656
O8 Cd2 Na1 Cd2 76.04(12) . 2_656
O4 Cd2 Na1 Cd2 43.55(7) 2_656 2_656
C24 Cd2 Na1 Cd2 -71.48(9) . 2_656
C26 Cd2 Na1 Cd2 28.7(3) . 2_656
Na1 Cd2 Na1 Cd2 0.0 2_656 2_656
N1 C1 C2 C3 1.6(6) . .
C1 C2 C3 C4 0.0(6) . .
C1 C2 C3 C6 -177.7(4) . .
C2 C3 C4 C5 -1.0(7) . .
C6 C3 C4 C5 176.8(4) . .
C3 C4 C5 N1 0.5(8) . .
C4 C3 C6 N3 13.8(6) . .
C2 C3 C6 N3 -168.4(4) . .
C4 C3 C6 N2 -162.3(4) . .
C2 C3 C6 N2 15.5(6) . .
N2 C7 C8 C12 25.1(7) . .
N4 C7 C8 C12 -151.8(5) . .
N2 C7 C8 C9 -155.2(4) . .
N4 C7 C8 C9 27.8(7) . .
C12 C8 C9 C10 2.3(7) . .
C7 C8 C9 C10 -177.3(4) . .
C8 C9 C10 N5 -2.4(7) . .
C9 C8 C12 C11 -0.5(8) . .
C7 C8 C12 C11 179.1(5) . .
N5 C11 C12 C8 -1.4(9) . .
C21 C16 C17 C18 -3.1(6) . .
C16 C17 C18 C19 0.8(6) . .
C17 C18 C19 C20 3.4(5) . .
C17 C18 C19 C24 -173.1(3) . .
C18 C19 C20 C21 -5.3(5) . .
C24 C19 C20 C21 171.1(3) . .
C18 C19 C20 C23 175.2(3) . .
C24 C19 C20 C23 -8.4(5) . .
C17 C16 C21 C20 1.1(5) . .
C17 C16 C21 C22 -179.7(3) . .
C19 C20 C21 C16 3.1(5) . .
C23 C20 C21 C16 -177.3(3) . .
C19 C20 C21 C22 -176.1(3) . .
C23 C20 C21 C22 3.5(5) . .
C16 C21 C22 O1 -44.3(4) . .
C20 C21 C22 O1 134.9(3) . .
C16 C21 C22 O2 135.6(3) . .
C20 C21 C22 O2 -45.2(5) . .
C21 C20 C23 O3 -77.1(4) . .
C19 C20 C23 O3 102.4(4) . .
C21 C20 C23 O4 99.2(4) . .
C19 C20 C23 O4 -81.3(4) . .
C18 C19 C24 O6 -5.5(5) . .
C20 C19 C24 O6 178.1(3) . .
C18 C19 C24 O5 173.8(3) . .
C20 C19 C24 O5 -2.7(5) . .
O11 Cd2 C24 O6 -55.9(2) 2_756 .
O7 Cd2 C24 O6 61.2(2) . .
O5 Cd2 C24 O6 177.1(3) . .
O3 Cd2 C24 O6 -148.2(2) 2_656 .
O8 Cd2 C24 O6 76.4(3) . .
O4 Cd2 C24 O6 157.5(2) 2_656 .
C26 Cd2 C24 O6 66.0(2) . .
Na1 Cd2 C24 O6 -137.8(2) . .
Na1 Cd2 C24 O6 152.0(2) 2_656 .
O11 Cd2 C24 O5 127.0(2) 2_756 .
O7 Cd2 C24 O5 -115.9(2) . .
O3 Cd2 C24 O5 34.7(2) 2_656 .
O6 Cd2 C24 O5 -177.1(3) . .
O8 Cd2 C24 O5 -100.7(2) . .
O4 Cd2 C24 O5 -19.7(2) 2_656 .
C26 Cd2 C24 O5 -111.2(2) . .
Na1 Cd2 C24 O5 45.08(17) . .
Na1 Cd2 C24 O5 -25.14(17) 2_656 .
O11 Cd2 C26 O7 104.7(2) 2_756 .
O5 Cd2 C26 O7 -42.0(3) . .
O3 Cd2 C26 O7 -151.8(2) 2_656 .
O6 Cd2 C26 O7 14.4(2) . .
O8 Cd2 C26 O7 -177.3(4) . .
O4 Cd2 C26 O7 -114.3(2) 2_656 .
C24 Cd2 C26 O7 -10.6(3) . .
Na1 Cd2 C26 O7 -99.9(3) . .
Na1 Cd2 C26 O7 -74.5(2) 2_656 .
O11 Cd2 C26 O8 -77.9(2) 2_756 .
O7 Cd2 C26 O8 177.3(4) . .
O5 Cd2 C26 O8 135.33(19) . .
O3 Cd2 C26 O8 25.5(2) 2_656 .
O6 Cd2 C26 O8 -168.22(19) . .
O4 Cd2 C26 O8 63.0(2) 2_656 .
C24 Cd2 C26 O8 166.70(19) . .
Na1 Cd2 C26 O8 77.5(3) . .
Na1 Cd2 C26 O8 102.82(19) 2_656 .
O10 C27 C28 C29 45.2(7) . .
O9 C27 C28 C29 -135.1(5) . .
O10 C27 C28 C33 -133.6(5) . .
O9 C27 C28 C33 46.1(6) . .
C33 C28 C29 C30 -2.0(7) . .
C27 C28 C29 C30 179.2(4) . .
C28 C29 C30 C31 4.5(8) . .
C29 C30 C31 C32 -2.6(7) . .
C30 C31 C32 C33 -1.7(6) . .
C30 C31 C32 C25 178.0(4) . .
O12 C25 C32 C31 4.5(5) . .
O11 C25 C32 C31 -174.8(4) . .
O12 C25 C32 C33 -175.7(4) . .
O11 C25 C32 C33 4.9(5) . .
C31 C32 C33 C28 4.2(6) . .
C25 C32 C33 C28 -175.5(4) . .
C31 C32 C33 C26 -172.4(4) . .
C25 C32 C33 C26 7.9(5) . .
C29 C28 C33 C32 -2.3(6) . .
C27 C28 C33 C32 176.4(4) . .
C29 C28 C33 C26 174.2(4) . .
C27 C28 C33 C26 -7.0(6) . .
O7 C26 C33 C32 -103.7(4) . .
O8 C26 C33 C32 81.1(4) . .
O8 C26 C33 C28 -95.4(4) . .
C4 C5 N1 C1 1.0(7) . .
C4 C5 N1 Cd1 -175.0(4) . .
C2 C1 N1 C5 -2.1(6) . .
C2 C1 N1 Cd1 173.6(3) . .
O1 Cd1 N1 C5 -32.1(4) 2_546 .
O1 Cd1 N1 C5 147.9(4) . .
O1W Cd1 N1 C5 -119.9(4) 2_546 .
O1W Cd1 N1 C5 60.1(4) . .
O1 Cd1 N1 C1 152.2(3) 2_546 .
O1 Cd1 N1 C1 -27.8(3) . .
O1W Cd1 N1 C1 64.4(3) 2_546 .
O1W Cd1 N1 C1 -115.6(3) . .
N4 C7 N2 C6 -1.9(4) . .
C8 C7 N2 C6 -179.2(4) . .
N3 C6 N2 C7 2.0(5) . .
C3 C6 N2 C7 178.3(4) . .
N2 C6 N3 N4 -1.3(5) . .
C3 C6 N3 N4 -177.8(3) . .
N2 C7 N4 N3 1.2(5) . .
C8 C7 N4 N3 178.5(4) . .
N2 C7 N4 C13 -175.2(4) . .
C8 C7 N4 C13 2.1(7) . .
C6 N3 N4 C7 0.0(4) . .
C6 N3 N4 C13 177.1(3) . .
N6 C13 N4 C7 -102.0(5) . .
N6 C13 N4 N3 81.8(4) . .
C9 C10 N5 C11 0.5(7) . .
C9 C10 N5 Cd3 -176.3(3) . 2_655
C12 C11 N5 C10 1.5(8) . .
C12 C11 N5 Cd3 177.9(4) . 2_655
N8 C15 N6 N7 -0.2(5) . .
N8 C15 N6 C13 -178.2(4) . .
N4 C13 N6 C15 -118.0(4) . .
N4 C13 N6 N7 64.3(5) . .
N8 C14 N7 N6 0.0(5) . .
C15 N6 N7 C14 0.1(4) . .
C13 N6 N7 C14 178.3(4) . .
N6 C15 N8 C14 0.2(5) . .
N6 C15 N8 Cd3 161.7(3) . 2
N7 C14 N8 C15 -0.2(5) . .
N7 C14 N8 Cd3 -164.9(3) . 2
O2 C22 O1 Cd1 18.3(5) . .
C21 C22 O1 Cd1 -161.8(2) . .
N1 Cd1 O1 C22 87.8(3) . .
N1 Cd1 O1 C22 -92.2(3) 2_546 .
O1W Cd1 O1 C22 -3.1(3) 2_546 .
O1W Cd1 O1 C22 176.9(3) . .
O1 C22 O2 Cd3 160.3(3) . 2_656
C21 C22 O2 Cd3 -19.7(5) . 2_656
O4 C23 O3 Cd2 -5.3(3) . 2_656
C20 C23 O3 Cd2 170.8(2) . 2_656
O4 C23 O3 Na1 86.0(3) . 2_656
C20 C23 O3 Na1 -97.9(3) . 2_656
O3 C23 O4 Cd3 105.7(3) . 2_656
C20 C23 O4 Cd3 -70.4(3) . 2_656
O3 C23 O4 Na1 -88.7(3) . .
C20 C23 O4 Na1 95.1(3) . .
O3 C23 O4 Cd2 4.9(3) . 2_656
C20 C23 O4 Cd2 -171.3(3) . 2_656
O3WA Na1 O4 C23 169.4(7) 2_656 .
O3W Na1 O4 C23 154.0(6) 2_656 .
O12 Na1 O4 C23 -81.5(3) 2_756 .
O3WB Na1 O4 C23 -169.4(5) 2_656 .
O5 Na1 O4 C23 73.4(2) 2_656 .
O3 Na1 O4 C23 31.0(3) 2_656 .
O5 Na1 O4 C23 -12.4(2) . .
Cd2 Na1 O4 C23 -15.4(3) . .
Na1 Na1 O4 C23 30.6(2) 2_656 .
Cd2 Na1 O4 C23 89.3(2) 2_656 .
O3WA Na1 O4 Cd3 -29.2(7) 2_656 2_656
O3W Na1 O4 Cd3 -44.6(6) 2_656 2_656
O12 Na1 O4 Cd3 79.92(18) 2_756 2_656
O3WB Na1 O4 Cd3 -8.0(5) 2_656 2_656
O5 Na1 O4 Cd3 -125.21(15) 2_656 2_656
O3 Na1 O4 Cd3 -167.54(14) 2_656 2_656
O5 Na1 O4 Cd3 148.99(16) . 2_656
Cd2 Na1 O4 Cd3 146.00(11) . 2_656
Na1 Na1 O4 Cd3 -167.99(15) 2_656 2_656
Cd2 Na1 O4 Cd3 -109.33(16) 2_656 2_656
O3WA Na1 O4 Cd2 80.2(7) 2_656 2_656
O3W Na1 O4 Cd2 64.8(6) 2_656 2_656
O12 Na1 O4 Cd2 -170.74(10) 2_756 2_656
O3WB Na1 O4 Cd2 101.3(4) 2_656 2_656
O5 Na1 O4 Cd2 -15.87(8) 2_656 2_656
O3 Na1 O4 Cd2 -58.21(19) 2_656 2_656
O5 Na1 O4 Cd2 -101.67(9) . 2_656
Cd2 Na1 O4 Cd2 -104.67(7) . 2_656
Na1 Na1 O4 Cd2 -58.66(6) 2_656 2_656
O6 C24 O5 Cd2 -3.0(4) . .
C19 C24 O5 Cd2 177.8(3) . .
O6 C24 O5 Na1 112.4(4) . 2_656
C19 C24 O5 Na1 -66.8(4) . 2_656
Cd2 C24 O5 Na1 115.4(3) . 2_656
O6 C24 O5 Na1 -94.0(4) . .
C19 C24 O5 Na1 86.8(3) . .
Cd2 C24 O5 Na1 -91.02(17) . .
O11 Cd2 O5 C24 -60.5(2) 2_756 .
O7 Cd2 O5 C24 67.4(2) . .
O3 Cd2 O5 C24 -147.4(2) 2_656 .
O6 Cd2 O5 C24 1.58(19) . .
O8 Cd2 O5 C24 115.9(2) . .
O4 Cd2 O5 C24 160.6(2) 2_656 .
C26 Cd2 O5 C24 85.3(2) . .
Na1 Cd2 O5 C24 -119.5(2) . .
Na1 Cd2 O5 C24 143.0(2) 2_656 .
O11 Cd2 O5 Na1 156.48(10) 2_756 2_656
O7 Cd2 O5 Na1 -75.65(11) . 2_656
O3 Cd2 O5 Na1 69.55(10) 2_656 2_656
O6 Cd2 O5 Na1 -141.45(15) . 2_656
O8 Cd2 O5 Na1 -27.17(17) . 2_656
O4 Cd2 O5 Na1 17.58(9) 2_656 2_656
C24 Cd2 O5 Na1 -143.0(2) . 2_656
C26 Cd2 O5 Na1 -57.70(14) . 2_656
Na1 Cd2 O5 Na1 97.50(11) . 2_656
O11 Cd2 O5 Na1 58.97(11) 2_756 .
O7 Cd2 O5 Na1 -173.15(9) . .
O3 Cd2 O5 Na1 -27.96(9) 2_656 .
O6 Cd2 O5 Na1 121.05(13) . .
O8 Cd2 O5 Na1 -124.67(11) . .
O4 Cd2 O5 Na1 -79.92(8) 2_656 .
C24 Cd2 O5 Na1 119.5(2) . .
C26 Cd2 O5 Na1 -155.21(10) . .
Na1 Cd2 O5 Na1 -97.50(11) 2_656 .
O3WA Na1 O5 C24 -76(3) 2_656 .
O3W Na1 O5 C24 -150(3) 2_656 .
O12 Na1 O5 C24 39.9(2) 2_756 .
O3WB Na1 O5 C24 -18.4(10) 2_656 .
O5 Na1 O5 C24 -163.2(3) 2_656 .
O3 Na1 O5 C24 120.5(2) 2_656 .
O4 Na1 O5 C24 -82.9(2) . .
Cd2 Na1 O5 C24 93.2(2) . .
Na1 Na1 O5 C24 -163.2(3) 2_656 .
Cd2 Na1 O5 C24 -125.5(2) 2_656 .
O3WA Na1 O5 Cd2 -169(3) 2_656 .
O3W Na1 O5 Cd2 117(3) 2_656 .
O12 Na1 O5 Cd2 -53.33(10) 2_756 .
O3WB Na1 O5 Cd2 -111.6(9) 2_656 .
O5 Na1 O5 Cd2 103.64(9) 2_656 .
O3 Na1 O5 Cd2 27.27(8) 2_656 .
O4 Na1 O5 Cd2 -176.09(10) . .
Na1 Na1 O5 Cd2 103.64(9) 2_656 .
Cd2 Na1 O5 Cd2 141.34(6) 2_656 .
O3WA Na1 O5 Na1 87(3) 2_656 2_656
O3W Na1 O5 Na1 13(3) 2_656 2_656
O12 Na1 O5 Na1 -156.97(12) 2_756 2_656
O3WB Na1 O5 Na1 144.8(9) 2_656 2_656
O5 Na1 O5 Na1 0.0 2_656 2_656
O3 Na1 O5 Na1 -76.37(9) 2_656 2_656
O4 Na1 O5 Na1 80.27(9) . 2_656
Cd2 Na1 O5 Na1 -103.64(9) . 2_656
Cd2 Na1 O5 Na1 37.70(6) 2_656 2_656
O5 C24 O6 Cd2 2.9(4) . .
C19 C24 O6 Cd2 -177.9(3) . .
O11 Cd2 O6 C24 125.1(2) 2_756 .
O7 Cd2 O6 C24 -116.8(2) . .
O5 Cd2 O6 C24 -1.6(2) . .
O3 Cd2 O6 C24 41.2(3) 2_656 .
O8 Cd2 O6 C24 -130.6(2) . .
O4 Cd2 O6 C24 -28.4(3) 2_656 .
C26 Cd2 O6 C24 -123.4(2) . .
Na1 Cd2 O6 C24 37.3(2) . .
Na1 Cd2 O6 C24 -24.7(2) 2_656 .
O8 C26 O7 Cd2 -2.8(4) . .
C33 C26 O7 Cd2 -177.8(3) . .
O11 Cd2 O7 C26 -87.3(2) 2_756 .
O5 Cd2 O7 C26 145.4(2) . .
O3 Cd2 O7 C26 43.2(3) 2_656 .
O6 Cd2 O7 C26 -165.8(2) . .
O8 Cd2 O7 C26 1.5(2) . .
O4 Cd2 O7 C26 65.7(2) 2_656 .
C24 Cd2 O7 C26 170.6(2) . .
Na1 Cd2 O7 C26 135.5(2) . .
Na1 Cd2 O7 C26 107.9(2) 2_656 .
O7 C26 O8 Cd3 -104.4(3) . .
C33 C26 O8 Cd3 70.7(3) . .
Cd2 C26 O8 Cd3 -107.08(15) . .
O7 C26 O8 Cd2 2.6(4) . .
C33 C26 O8 Cd2 177.8(3) . .
O9 Cd3 O8 C26 11.2(2) . .
O2 Cd3 O8 C26 -179.2(2) 2_656 .
N8 Cd3 O8 C26 77.7(5) 2 .
N5 Cd3 O8 C26 -91.2(2) 2_655 .
O4 Cd3 O8 C26 95.6(2) 2_656 .
O9 Cd3 O8 Cd2 -84.16(11) . .
O2 Cd3 O8 Cd2 85.36(10) 2_656 .
N8 Cd3 O8 Cd2 -17.7(5) 2 .
N5 Cd3 O8 Cd2 173.38(12) 2_655 .
O4 Cd3 O8 Cd2 0.16(9) 2_656 .
O11 Cd2 O8 C26 110.9(2) 2_756 .
O7 Cd2 O8 C26 -1.5(2) . .
O5 Cd2 O8 C26 -65.7(2) . .
O3 Cd2 O8 C26 -158.5(2) 2_656 .
O6 Cd2 O8 C26 15.3(2) . .
O4 Cd2 O8 C26 -111.9(2) 2_656 .
C24 Cd2 O8 C26 -20.4(3) . .
Na1 Cd2 O8 C26 -144.76(18) . .
Na1 Cd2 O8 C26 -82.9(2) 2_656 .
O11 Cd2 O8 Cd3 -137.34(10) 2_756 .
O7 Cd2 O8 Cd3 110.28(14) . .
O5 Cd2 O8 Cd3 46.06(17) . .
O3 Cd2 O8 Cd3 -46.73(11) 2_656 .
O6 Cd2 O8 Cd3 127.05(11) . .
O4 Cd2 O8 Cd3 -0.15(8) 2_656 .
C24 Cd2 O8 Cd3 91.38(17) . .
C26 Cd2 O8 Cd3 111.8(2) . .
Na1 Cd2 O8 Cd3 -33.01(16) . .
Na1 Cd2 O8 Cd3 28.88(10) 2_656 .
O10 C27 O9 Cd3 -159.7(4) . .
C28 C27 O9 Cd3 20.7(6) . .
O2 Cd3 O9 C27 -99.8(5) 2_656 .
N8 Cd3 O9 C27 126.8(4) 2 .
N5 Cd3 O9 C27 25.3(4) 2_655 .
O8 Cd3 O9 C27 -66.5(4) . .
O4 Cd3 O9 C27 -146.7(4) 2_656 .
O12 C25 O11 Cd2 9.2(5) . 2_756
C32 C25 O11 Cd2 -171.5(2) . 2_756
O11 C25 O12 Na1 31.9(8) . 2_756
C32 C25 O12 Na1 -147.3(4) . 2_756
Na1 O3WA O3W O3WB 85(5) 2_656 .
O3WB O3WA O3W Na1 -85(5) . 2_656
O3W O3WA O3WB O3WC -120(7) . .
Na1 O3WA O3WB O3WC 157(6) 2_656 .
Na1 O3WA O3WB O3W -83(6) 2_656 .
O3W O3WA O3WB Na1 83(6) . 2_656
Na1 O3W O3WB O3WA 90(6) 2_656 .
O3WA O3W O3WB O3WC 103(7) . .
Na1 O3W O3WB O3WC -167(5) 2_656 .
O3WA O3W O3WB Na1 -90(6) . 2_656
