#------------------------------------------------------------------------------
#$Date: 2019-11-23 20:18:52 +0200 (Sat, 23 Nov 2019) $
#$Revision: 234814 $
#$URL: file:///home/coder/svn-repositories/cod/cif/4/34/94/4349489.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_4349489
loop_
_publ_author_name
'Zhang, Qiurui'
'Zhang, Wenjuan'
'Wang, Shengdong'
'Solan, Gregory A.'
'Liang, Tongling'
'Rajendran, Natesan Mannangatti'
'Sun, Wen-Hua'
_publ_section_title
;
 Sodium iminoquinolates with cubic and hexagonal prismatic motifs:
 synthesis, characterization and their catalytic behavior toward the ROP
 of rac-lactide
;
_journal_issue                   9
_journal_name_full               'Inorganic Chemistry Frontiers'
_journal_page_first              1178
_journal_paper_doi               10.1039/C6QI00155F
_journal_volume                  3
_journal_year                    2016
_chemical_formula_moiety         'C138 H150 N12 Na6 O6, 2(C7 H8)'
_chemical_formula_sum            'C152 H166 N12 Na6 O6'
_chemical_formula_weight         2394.91
_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   geom
_atom_sites_solution_primary     direct
_atom_sites_solution_secondary   difmap
_audit_creation_date             2016-03-01
_audit_creation_method
;
Olex2 1.2
(compiled 2016.02.19 svn.r3266 for OlexSys, GUI svn.r5155)
;
_audit_update_record
;
2016-05-26 deposited with the CCDC.
2016-07-18 downloaded from the CCDC.
;
_cell_angle_alpha                110.08(3)
_cell_angle_beta                 104.88(3)
_cell_angle_gamma                109.92(3)
_cell_formula_units_Z            1
_cell_length_a                   14.410(3)
_cell_length_b                   17.255(3)
_cell_length_c                   17.335(3)
_cell_measurement_reflns_used    8963
_cell_measurement_temperature    173.1500
_cell_measurement_theta_max      27.4819
_cell_measurement_theta_min      1.3840
_cell_volume                     3448(2)
_computing_cell_refinement       'CrystalClear (Rigaku Inc., 2007)'
_computing_data_collection       'CrystalClear (Rigaku Inc., 2007)'
_computing_data_reduction        'CrystalClear (Rigaku Inc., 2007)'
_computing_molecular_graphics    'Olex2 (Dolomanov et al., 2009)'
_computing_publication_material  'Olex2 (Dolomanov et al., 2009)'
_computing_structure_refinement  'ShelXL (Sheldrick, 2015)'
_computing_structure_solution
;
????
;
_diffrn_ambient_temperature      173.1500
_diffrn_detector_area_resol_mean 28.5714
_diffrn_measured_fraction_theta_full 0.997
_diffrn_measured_fraction_theta_max 0.997
_diffrn_measurement_details
;
scan:
	Number of images: 360
	           Slice: -110.0000 - 70.0000
	     Image width: 0.5000
	        Exp time: 8.0000
	   Rotation axis: Omega
	           Omega: 0.0000
	             Chi: 45.0000
	             Phi: 270.0000
	             XTD: 45.2413
	          2theta: -20.0034
scan:
	Number of images: 324
	           Slice: -110.0000 - 52.0000
	     Image width: 0.5000
	        Exp time: 8.0000
	   Rotation axis: Omega
	           Omega: 0.0000
	             Chi: 45.0000
	             Phi: 0.0000
	             XTD: 45.2413
	          2theta: -20.0034
scan:
	Number of images: 318
	           Slice: -110.0000 - 49.0000
	     Image width: 0.5000
	        Exp time: 8.0000
	   Rotation axis: Omega
	           Omega: 0.0000
	             Chi: 45.0000
	             Phi: 180.0000
	             XTD: 45.2413
	          2theta: -20.0034
scan:
	Number of images: 224
	           Slice: -109.5000 - 2.5000
	     Image width: 0.5000
	        Exp time: 8.0000
	   Rotation axis: Omega
	           Omega: 0.0000
	             Chi: 45.0000
	             Phi: 90.0000
	             XTD: 45.2413
	          2theta: -20.0034
;
_diffrn_measurement_device
;
Saturn724+ (2x2 bin mode)
;
_diffrn_measurement_device_details
;
AFC10: Fixed Chi 2 circle
;
_diffrn_measurement_device_type  'multiwire proportional'
_diffrn_measurement_method       dtprofit.ref
_diffrn_orient_matrix_type       d*Trek
_diffrn_orient_matrix_UB_11      0.0370
_diffrn_orient_matrix_UB_12      0.0373
_diffrn_orient_matrix_UB_13      -0.0624
_diffrn_orient_matrix_UB_21      0.0145
_diffrn_orient_matrix_UB_22      -0.0378
_diffrn_orient_matrix_UB_23      -0.0574
_diffrn_orient_matrix_UB_31      -0.0387
_diffrn_orient_matrix_UB_32      0.0090
_diffrn_orient_matrix_UB_33      -0.0552
_diffrn_radiation_detector       CCD
_diffrn_radiation_monochromator  Confocal
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_reflns_av_R_equivalents  0.1162
_diffrn_reflns_av_unetI/netI     0.1089
_diffrn_reflns_limit_h_max       17
_diffrn_reflns_limit_h_min       -17
_diffrn_reflns_limit_k_max       20
_diffrn_reflns_limit_k_min       -20
_diffrn_reflns_limit_l_max       20
_diffrn_reflns_limit_l_min       -20
_diffrn_reflns_number            41307
_diffrn_reflns_theta_full        25.20
_diffrn_reflns_theta_max         25.20
_diffrn_reflns_theta_min         1.60
_diffrn_source                   'Rotating Anode'
_diffrn_source_current           24.0000
_diffrn_source_power             1.2000
_diffrn_source_voltage           50.0000
_exptl_absorpt_coefficient_mu    0.086
_exptl_absorpt_correction_T_max  1.0000
_exptl_absorpt_correction_T_min  0.6865
_exptl_absorpt_correction_type   multi-scan
_exptl_crystal_colour            red
_exptl_crystal_colour_primary    red
_exptl_crystal_density_diffrn    1.153
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       plate
_exptl_crystal_F_000             1276
_exptl_crystal_size_max          0.191
_exptl_crystal_size_mid          0.116
_exptl_crystal_size_min          0.023
_refine_diff_density_max         0.465
_refine_diff_density_min         -0.448
_refine_diff_density_rms         0.059
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.260
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     809
_refine_ls_number_reflns         12384
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      1.260
_refine_ls_R_factor_all          0.1771
_refine_ls_R_factor_gt           0.1390
_refine_ls_shift/su_max          0.011
_refine_ls_shift/su_mean         0.002
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'calc w=1/[σ²(Fo²)+(0.0397P)²+6.8261P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.2373
_refine_ls_wR_factor_ref         0.2550
_reflns_number_gt                9182
_reflns_number_total             12384
_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            c6qi00155f1.cif
_cod_data_source_block           C5
_cod_original_cell_volume        3448.3(11)
_cod_database_code               4349489
_diffrn_number_total             15616
_olex2_refinement_description
;
1. Fixed Uiso
 At 1.2 times of:
  All C(H) groups
 At 1.5 times of:
  All C(H,H,H) groups
2.a Ternary CH refined with riding coordinates:
 C41(H41), C21(H21), C64(H64), C25(H25), C44(H44), C18(H18), C67(H67)
2.b Aromatic/amide H refined with riding coordinates:
 C37(H37), C38(H38), C15(H15), C14(H14), C39(H39), C48(H48), C54(H54), C2(H2),
 C31(H31), C55(H55), C32(H32), C49(H49), C34(H34), C8(H8), C9(H9), C3(H3),
 C60(H60), C57(H57), C62(H62), C11(H11), C26(H26), C61(H61), C16(H16),
 C106(H106), C102(H102), C103(H103), C104(H104), C105(H105)
2.c Idealised Me refined as rotating group:
 C68(H68A,H68B,H68C), C69(H69A,H69B,H69C), C65(H65A,H65B,H65C), C66(H66A,H66B,
 H66C), C45(H45A,H45B,H45C), C22(H22A,H22B,H22C), C20(H20A,H20B,H20C), C23(H23A,
 H23B,H23C), C42(H42A,H42B,H42C), C51(H51A,H51B,H51C), C28(H28A,H28B,H28C),
 C5(H5A,H5B,H5C), C43(H43A,H43B,H43C), C46(H46A,H46B,H46C), C19(H19A,H19B,H19C),
  C100(H10A,H10B,H10C)
;
_olex2_submission_special_instructions 'No special instructions were received'
loop_
_space_group_symop_id
_space_group_symop_operation_xyz
1 'x, y, z'
2 '-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_calc_flag
_atom_site_refinement_flags_posn
Na1 Na 0.46756(17) 0.01755(14) 0.12918(13) 0.0343(5) Uani 1 d .
Na2 Na 0.54388(16) -0.13020(14) 0.01632(13) 0.0343(5) Uani 1 d .
Na3 Na 0.68873(16) 0.16528(14) 0.12547(13) 0.0336(5) Uani 1 d .
C37 C 0.9046(5) 0.5557(4) 0.2443(5) 0.0552(17) Uani 1 d .
H37 H 0.8879 0.6021 0.2766 0.066 Uiso 1 calc R
C38 C 0.9536(5) 0.5694(4) 0.1879(5) 0.0556(18) Uani 1 d .
H38 H 0.9708 0.6247 0.1819 0.067 Uiso 1 calc R
C41 C 0.9768(5) 0.3447(5) 0.0938(5) 0.0548(17) Uani 1 d .
H41 H 0.9226 0.2841 0.0851 0.066 Uiso 1 calc R
C15 C 0.6323(7) 0.3736(5) 0.6090(4) 0.0595(19) Uani 1 d .
H15 H 0.6621 0.4375 0.6518 0.071 Uiso 1 calc R
C14 C 0.5224(6) 0.3142(5) 0.5731(4) 0.0586(18) Uani 1 d .
H14 H 0.4768 0.3388 0.5902 0.070 Uiso 1 calc R
C39 C 0.9772(5) 0.5021(4) 0.1403(5) 0.0566(18) Uani 1 d .
H39 H 1.0105 0.5119 0.1014 0.068 Uiso 1 calc R
C21 C 0.3563(5) 0.1541(6) 0.4743(5) 0.068(2) Uani 1 d .
H21 H 0.3353 0.1028 0.4135 0.081 Uiso 1 calc R
C68 C 0.0142(6) 0.0681(5) -0.2029(5) 0.067(2) Uani 1 d .
H68A H -0.0270 0.0422 -0.1730 0.101 Uiso 1 calc GR
H68B H 0.0894 0.0797 -0.1758 0.101 Uiso 1 calc GR
H68C H -0.0196 0.0235 -0.2677 0.101 Uiso 1 calc GR
C40 C 0.9540(5) 0.4206(4) 0.1473(4) 0.0412(14) Uani 1 d .
C69 C -0.1016(5) 0.1449(5) -0.2316(5) 0.066(2) Uani 1 d .
H69A H -0.1383 0.0971 -0.2955 0.099 Uiso 1 calc GR
H69B H -0.0996 0.2037 -0.2272 0.099 Uiso 1 calc GR
H69C H -0.1414 0.1239 -0.1985 0.099 Uiso 1 calc GR
C65 C 0.4621(7) 0.3903(8) -0.1961(7) 0.136(5) Uani 1 d .
H65A H 0.4392 0.4140 -0.2374 0.204 Uiso 1 calc GR
H65B H 0.4566 0.3293 -0.2308 0.204 Uiso 1 calc GR
H65C H 0.5378 0.4344 -0.1518 0.204 Uiso 1 calc GR
C66 C 0.3945(6) 0.4743(5) -0.0983(6) 0.095(3) Uani 1 d .
H66A H 0.4708 0.5232 -0.0655 0.143 Uiso 1 calc GR
H66B H 0.3620 0.4733 -0.0552 0.143 Uiso 1 calc GR
H66C H 0.3544 0.4874 -0.1428 0.143 Uiso 1 calc GR
C64 C 0.3890(5) 0.3799(5) -0.1468(4) 0.0535(17) Uani 1 d .
H64 H 0.4181 0.3621 -0.1003 0.064 Uiso 1 calc R
C45 C 0.8985(7) 0.5107(8) 0.4127(5) 0.123(4) Uani 1 d .
H45A H 0.9555 0.4916 0.4203 0.185 Uiso 1 calc GR
H45B H 0.8595 0.4963 0.4487 0.185 Uiso 1 calc GR
H45C H 0.9317 0.5782 0.4330 0.185 Uiso 1 calc GR
C22 C 0.3333(8) 0.1105(8) 0.5321(8) 0.143(5) Uani 1 d .
H22A H 0.3578 0.1595 0.5935 0.215 Uiso 1 calc GR
H22B H 0.3722 0.0739 0.5341 0.215 Uiso 1 calc GR
H22C H 0.2549 0.0692 0.5067 0.215 Uiso 1 calc GR
C20 C 0.8256(7) 0.2806(6) 0.4865(7) 0.106(3) Uani 1 d .
H20A H 0.7979 0.3071 0.4500 0.160 Uiso 1 calc GR
H20B H 0.8655 0.2516 0.4603 0.160 Uiso 1 calc GR
H20C H 0.8745 0.3306 0.5487 0.160 Uiso 1 calc GR
C23 C 0.2834(8) 0.2004(9) 0.4609(8) 0.151(5) Uani 1 d .
H23A H 0.2096 0.1523 0.4153 0.227 Uiso 1 calc GR
H23B H 0.3134 0.2457 0.4405 0.227 Uiso 1 calc GR
H23C H 0.2807 0.2327 0.5185 0.227 Uiso 1 calc GR
C48 C 0.5538(5) 0.2433(4) 0.2774(4) 0.0403(14) Uani 1 d .
H48 H 0.5974 0.2173 0.2975 0.048 Uiso 1 calc R
C54 C 0.3692(5) 0.3676(4) 0.1953(4) 0.0449(15) Uani 1 d .
H54 H 0.3564 0.4106 0.2370 0.054 Uiso 1 calc R
O2 O 0.6302(3) 0.0211(2) 0.1332(2) 0.0315(8) Uani 1 d .
O3 O 0.5236(3) 0.1575(2) 0.1262(2) 0.0312(8) Uani 1 d .
O1 O 0.3780(3) -0.1355(2) 0.0241(2) 0.0339(9) Uani 1 d .
C30 C 0.8048(4) 0.0952(3) 0.2558(3) 0.0273(11) Uani 1 d .
C24 C 0.6959(4) 0.0176(3) 0.1984(3) 0.0284(12) Uani 1 d .
N1 N 0.4089(3) -0.0764(3) 0.2032(3) 0.0304(10) Uani 1 d .
C1 C 0.3566(4) -0.1977(4) 0.0536(3) 0.0322(12) Uani 1 d .
C2 C 0.3230(5) -0.2915(4) 0.0000(4) 0.0400(14) Uani 1 d .
H2 H 0.3175 -0.3120 -0.0601 0.048 Uiso 1 calc R
C31 C 0.9854(4) 0.1713(4) 0.3767(4) 0.0369(13) Uani 1 d .
H31 H 1.0395 0.1724 0.4224 0.044 Uiso 1 calc R
N4 N 0.8791(3) 0.3259(3) 0.2162(3) 0.0352(11) Uani 1 d .
N5 N 0.4054(3) 0.2414(3) 0.0708(3) 0.0275(9) Uani 1 d .
C55 C 0.3273(5) 0.3457(4) 0.1064(4) 0.0417(14) Uani 1 d .
H55 H 0.2859 0.3729 0.0856 0.050 Uiso 1 calc R
C32 C 1.0102(4) 0.2462(4) 0.3607(4) 0.0417(14) Uani 1 d .
H32 H 1.0809 0.2988 0.3943 0.050 Uiso 1 calc R
C6 C 0.3442(4) -0.2386(4) 0.1771(4) 0.0332(12) Uani 1 d .
C4 C 0.3056(5) -0.3336(4) 0.1185(4) 0.0422(14) Uani 1 d .
N3 N 0.8310(3) 0.1710(3) 0.2424(3) 0.0308(10) Uani 1 d .
C49 C 0.5355(5) 0.3053(4) 0.3412(4) 0.0501(16) Uani 1 d .
H49 H 0.5660 0.3182 0.4025 0.060 Uiso 1 calc R
C34 C 0.9501(4) 0.3257(4) 0.2772(4) 0.0411(14) Uani 1 d .
H34 H 1.0192 0.3800 0.3137 0.049 Uiso 1 calc R
C53 C 0.4478(4) 0.2637(3) 0.1613(3) 0.0276(11) Uani 1 d .
C8 C 0.3640(5) -0.2048(4) 0.2697(4) 0.0416(14) Uani 1 d .
H8 H 0.3481 -0.2478 0.2929 0.050 Uiso 1 calc R
C58 C 0.2008(4) 0.2649(4) -0.1752(4) 0.0353(13) Uani 1 d .
N6 N 0.2409(4) 0.2878(3) -0.0811(3) 0.0355(11) Uani 1 d .
C50 C 0.4763(5) 0.3483(4) 0.3202(4) 0.0484(16) Uani 1 d .
N2 N 0.5028(3) 0.0879(3) 0.4333(3) 0.0352(11) Uani 1 d .
C59 C 0.0881(5) 0.2068(4) -0.2285(4) 0.0362(13) Uani 1 d .
C9 C 0.4053(5) -0.1116(4) 0.3264(4) 0.0416(14) Uani 1 d .
H9 H 0.4199 -0.0894 0.3887 0.050 Uiso 1 calc R
C3 C 0.2965(5) -0.3576(4) 0.0315(4) 0.0440(15) Uani 1 d .
H3 H 0.2713 -0.4215 -0.0089 0.053 Uiso 1 calc R
C47 C 0.5102(4) 0.2184(4) 0.1853(3) 0.0305(12) Uani 1 d .
C60 C 0.0483(5) 0.1905(4) -0.3173(4) 0.0445(15) Uani 1 d .
H60 H -0.0274 0.1514 -0.3549 0.053 Uiso 1 calc R
C57 C 0.3008(4) 0.2553(4) -0.0513(4) 0.0348(13) Uani 1 d .
H57 H 0.3158 0.2137 -0.0923 0.042 Uiso 1 calc R
C27 C 0.8474(4) 0.0138(4) 0.3419(3) 0.0345(13) Uani 1 d .
C36 C 0.8792(4) 0.4761(4) 0.2551(4) 0.0394(14) Uani 1 d .
C62 C 0.2247(5) 0.2862(4) -0.2992(4) 0.0460(15) Uani 1 d .
H62 H 0.2704 0.3123 -0.3242 0.055 Uiso 1 calc R
C56 C 0.3473(4) 0.2815(4) 0.0462(3) 0.0315(12) Uani 1 d .
C29 C 0.8811(4) 0.0923(4) 0.3269(3) 0.0340(13) Uani 1 d .
C35 C 0.9078(5) 0.4109(4) 0.2083(4) 0.0407(14) Uani 1 d .
C17 C 0.6576(5) 0.2453(4) 0.5210(4) 0.0397(14) Uani 1 d .
C7 C 0.3699(4) -0.1695(4) 0.1471(3) 0.0291(12) Uani 1 d .
C10 C 0.4256(4) -0.0494(4) 0.2900(3) 0.0314(12) Uani 1 d .
C11 C 0.4703(4) 0.0513(4) 0.3474(4) 0.0378(13) Uani 1 d .
H11 H 0.4753 0.0907 0.3199 0.045 Uiso 1 calc R
C26 C 0.7434(5) -0.0577(4) 0.2873(4) 0.0377(13) Uani 1 d .
H26 H 0.7205 -0.1099 0.2981 0.045 Uiso 1 calc R
C52 C 0.4318(5) 0.3278(4) 0.2275(4) 0.0365(13) Uani 1 d .
C33 C 0.9286(4) 0.2434(4) 0.2933(4) 0.0357(13) Uani 1 d .
C25 C 0.6678(4) -0.0587(4) 0.2154(4) 0.0352(13) Uani 1 d .
H25 H 0.6118 -0.0548 0.2385 0.042 Uiso 1 calc R
C42 C 0.9625(6) 0.3337(6) -0.0004(5) 0.075(2) Uani 1 d .
H42A H 0.8928 0.3306 -0.0309 0.112 Uiso 1 calc GR
H42B H 0.9632 0.2761 -0.0361 0.112 Uiso 1 calc GR
H42C H 1.0222 0.3875 0.0053 0.112 Uiso 1 calc GR
C61 C 0.1152(5) 0.2290(4) -0.3531(4) 0.0476(16) Uani 1 d .
H61 H 0.0857 0.2161 -0.4145 0.057 Uiso 1 calc R
C63 C 0.2710(5) 0.3071(4) -0.2081(4) 0.0396(14) Uani 1 d .
C51 C 0.4590(7) 0.4158(5) 0.3906(4) 0.077(2) Uani 1 d .
H51A H 0.4928 0.4198 0.4496 0.115 Uiso 1 calc GR
H51B H 0.3808 0.3936 0.3730 0.115 Uiso 1 calc GR
H51C H 0.4923 0.4779 0.3948 0.115 Uiso 1 calc GR
C12 C 0.5463(5) 0.1861(4) 0.4872(4) 0.0378(13) Uani 1 d .
C28 C 0.9228(5) 0.0102(4) 0.4178(4) 0.0456(15) Uani 1 d .
H28A H 0.9897 0.0171 0.4101 0.068 Uiso 1 calc GR
H28B H 0.8866 -0.0501 0.4165 0.068 Uiso 1 calc GR
H28C H 0.9409 0.0611 0.4762 0.068 Uiso 1 calc GR
C5 C 0.2708(5) -0.4082(4) 0.1471(5) 0.0559(17) Uani 1 d .
H5A H 0.3336 -0.3971 0.1965 0.084 Uiso 1 calc GR
H5B H 0.2419 -0.4699 0.0955 0.084 Uiso 1 calc GR
H5C H 0.2141 -0.4061 0.1679 0.084 Uiso 1 calc GR
C44 C 0.8204(5) 0.4590(4) 0.3150(4) 0.0489(16) Uani 1 d .
H44 H 0.7889 0.3907 0.2965 0.059 Uiso 1 calc R
C13 C 0.4757(5) 0.2194(4) 0.5124(4) 0.0448(15) Uani 1 d .
C18 C 0.7308(5) 0.2073(4) 0.4870(5) 0.0552(18) Uani 1 d .
H18 H 0.6845 0.1558 0.4232 0.066 Uiso 1 calc R
C16 C 0.6990(5) 0.3397(4) 0.5823(4) 0.0510(16) Uani 1 d .
H16 H 0.7744 0.3812 0.6060 0.061 Uiso 1 calc R
C67 C 0.0141(5) 0.1604(4) -0.1909(4) 0.0453(15) Uani 1 d .
H67 H 0.0460 0.2032 -0.1243 0.054 Uiso 1 calc R
C43 C 1.0901(6) 0.3601(6) 0.1461(5) 0.072(2) Uani 1 d .
H43A H 1.1452 0.4213 0.1599 0.109 Uiso 1 calc GR
H43B H 1.1029 0.3108 0.1092 0.109 Uiso 1 calc GR
H43C H 1.0948 0.3580 0.2027 0.109 Uiso 1 calc GR
C46 C 0.7269(7) 0.4813(6) 0.2999(7) 0.092(3) Uani 1 d .
H46A H 0.6877 0.4640 0.3349 0.138 Uiso 1 calc GR
H46B H 0.6772 0.4458 0.2353 0.138 Uiso 1 calc GR
H46C H 0.7551 0.5484 0.3198 0.138 Uiso 1 calc GR
C19 C 0.7691(9) 0.1658(9) 0.5426(7) 0.136(5) Uani 1 d .
H19A H 0.8131 0.1396 0.5200 0.205 Uiso 1 calc GR
H19B H 0.7061 0.1160 0.5384 0.205 Uiso 1 calc GR
H19C H 0.8133 0.2144 0.6060 0.205 Uiso 1 calc GR
C100 C 0.1694(13) 0.1680(8) 0.2010(10) 0.207(8) Uani 1 d .
H10A H 0.0942 0.1447 0.1948 0.311 Uiso 1 calc GR
H10B H 0.1928 0.2269 0.1980 0.311 Uiso 1 calc GR
H10C H 0.2172 0.1787 0.2594 0.311 Uiso 1 calc GR
C106 C 0.2164(8) 0.0406(10) 0.1445(9) 0.118(4) Uani 1 d .
H106 H 0.2418 0.0495 0.2047 0.142 Uiso 1 calc R
C102 C 0.1415(8) 0.0817(8) 0.0369(9) 0.113(4) Uani 1 d .
H102 H 0.1137 0.1192 0.0206 0.136 Uiso 1 calc R
C103 C 0.1487(8) 0.0073(9) -0.0315(8) 0.117(4) Uani 1 d .
H103 H 0.1260 -0.0033 -0.0924 0.141 Uiso 1 calc R
C104 C 0.1858(9) -0.0433(9) -0.0085(8) 0.116(4) Uani 1 d .
H104 H 0.1886 -0.0925 -0.0527 0.140 Uiso 1 calc R
C105 C 0.2207(9) -0.0264(11) 0.0787(10) 0.131(5) Uani 1 d .
H105 H 0.2497 -0.0635 0.0944 0.157 Uiso 1 calc R
C101 C 0.1756(8) 0.0960(7) 0.1246(7) 0.092(3) Uani 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'
Na Na 0.0362 0.0249 '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'
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
Na2 Na1 Na2 96.29(6) . 2_655
Na2 Na1 Na3 54.18(6) . 2_655
Na2 Na1 Na3 68.36(6) 2_655 2_655
Na2 Na1 Na3 78.60(7) . .
Na3 Na1 Na2 55.96(6) . 2_655
Na3 Na1 Na3 99.64(8) . 2_655
O2 Na1 Na2 43.73(10) . .
O2 Na1 Na2 93.11(11) . 2_655
O2 Na1 Na3 92.22(11) . 2_655
O2 Na1 Na3 45.50(10) . .
O2 Na1 N1 104.60(15) . .
O2 Na1 C1 91.07(14) . .
O2 Na1 C47 104.50(15) . .
O3 Na1 Na2 34.73(10) . 2_655
O3 Na1 Na2 116.14(11) . .
O3 Na1 Na3 103.00(11) . 2_655
O3 Na1 Na3 43.93(10) . .
O3 Na1 O2 89.40(14) . .
O3 Na1 N1 150.16(16) . .
O3 Na1 C1 157.81(15) . .
O3 Na1 C47 23.22(12) . .
O1 Na1 Na2 101.11(11) . 2_655
O1 Na1 Na2 46.02(10) . .
O1 Na1 Na3 119.32(12) . .
O1 Na1 Na3 32.77(9) . 2_655
O1 Na1 O2 89.52(14) . .
O1 Na1 O3 135.64(15) . .
O1 Na1 N1 71.77(14) . .
O1 Na1 C1 22.21(12) . .
O1 Na1 C47 150.27(15) . .
N1 Na1 Na2 160.64(13) . 2_655
N1 Na1 Na2 91.33(12) . .
N1 Na1 Na3 143.33(13) . .
N1 Na1 Na3 102.64(12) . 2_655
N1 Na1 C1 50.10(14) . .
N1 Na1 C47 127.24(16) . .
C1 Na1 Na2 123.13(12) . 2_655
C1 Na1 Na2 53.12(11) . .
C1 Na1 Na3 54.81(11) . 2_655
C1 Na1 Na3 131.72(12) . .
C47 Na1 Na2 138.59(12) . .
C47 Na1 Na2 52.86(11) . 2_655
C47 Na1 Na3 61.61(11) . .
C47 Na1 Na3 119.07(12) . 2_655
C47 Na1 C1 163.84(15) . .
Na1 Na2 Na1 83.71(6) . 2_655
Na3 Na2 Na1 71.20(7) 2_655 .
Na3 Na2 Na1 57.26(6) 2_655 2_655
O2 Na2 Na1 84.02(10) . 2_655
O2 Na2 Na1 43.67(10) . .
O2 Na2 Na3 107.77(12) . 2_655
O2 Na2 O1 86.17(14) . .
O2 Na2 C24 26.21(12) . .
O2 Na2 C1 96.61(16) . .
O2 Na2 N5 137.90(16) . 2_655
O2 Na2 C47 134.97(15) . 2_655
O2 Na2 C25 51.29(13) . .
O3 Na2 Na1 36.08(10) 2_655 2_655
O3 Na2 Na1 105.88(11) 2_655 .
O3 Na2 Na3 44.76(10) 2_655 2_655
O3 Na2 O2 119.73(15) 2_655 .
O3 Na2 O1 89.12(14) 2_655 .
O3 Na2 C24 142.28(16) 2_655 .
O3 Na2 C1 105.16(16) 2_655 .
O3 Na2 N5 72.72(14) 2_655 2_655
O3 Na2 C47 22.27(12) 2_655 2_655
O3 Na2 C25 169.09(16) 2_655 .
O1 Na2 Na1 91.69(10) . 2_655
O1 Na2 Na1 42.72(10) . .
O1 Na2 Na3 44.36(9) . 2_655
O1 Na2 C24 98.74(15) . .
O1 Na2 C1 26.94(13) . .
O1 Na2 N5 135.80(16) . 2_655
O1 Na2 C47 104.98(15) . 2_655
O1 Na2 C25 95.93(15) . .
C24 Na2 Na1 106.48(12) . 2_655
C24 Na2 Na1 61.33(11) . .
C24 Na2 Na3 131.59(12) . 2_655
C24 Na2 C47 148.27(16) . 2_655
C24 Na2 C25 27.28(14) . .
C1 Na2 Na1 117.40(12) . 2_655
C1 Na2 Na1 59.22(12) . .
C1 Na2 Na3 63.44(12) . 2_655
C1 Na2 C24 97.63(16) . .
C1 Na2 C47 113.06(16) . 2_655
C1 Na2 C25 83.25(16) . .
N5 Na2 Na1 178.24(13) 2_655 .
N5 Na2 Na1 95.57(11) 2_655 2_655
N5 Na2 Na3 107.06(12) 2_655 2_655
N5 Na2 C24 120.43(15) 2_655 .
N5 Na2 C1 119.92(16) 2_655 .
N5 Na2 C47 50.49(14) 2_655 2_655
N5 Na2 C25 109.44(15) 2_655 .
C47 Na2 Na1 128.07(12) 2_655 .
C47 Na2 Na1 52.78(10) 2_655 2_655
C47 Na2 Na3 62.18(11) 2_655 2_655
C25 Na2 Na1 133.75(12) . 2_655
C25 Na2 Na1 72.15(12) . .
C25 Na2 Na3 139.49(13) . 2_655
C25 Na2 C47 158.23(16) . 2_655
Na1 Na3 Na1 80.36(8) . 2_655
Na2 Na3 Na1 54.62(6) 2_655 2_655
Na2 Na3 Na1 66.78(7) 2_655 .
O2 Na3 Na1 78.61(10) . 2_655
O2 Na3 Na1 43.19(10) . .
O2 Na3 Na2 100.83(11) . 2_655
O2 Na3 N4 132.89(14) . .
O2 Na3 N3 68.34(14) . .
O3 Na3 Na1 88.83(11) . 2_655
O3 Na3 Na1 42.85(9) . .
O3 Na3 Na2 41.91(9) . 2_655
O3 Na3 O2 86.02(14) . .
O3 Na3 N4 123.58(15) . .
O3 Na3 N3 126.26(15) . .
O1 Na3 Na1 31.89(9) 2_655 2_655
O1 Na3 Na1 101.44(12) 2_655 .
O1 Na3 Na2 46.35(10) 2_655 2_655
O1 Na3 O2 110.36(15) 2_655 .
O1 Na3 O3 88.26(14) 2_655 .
O1 Na3 N4 106.61(15) 2_655 .
O1 Na3 N3 144.24(16) 2_655 .
N4 Na3 Na1 131.02(13) . 2_655
N4 Na3 Na1 148.57(12) . .
N4 Na3 Na2 125.92(12) . 2_655
N3 Na3 Na1 127.69(13) . 2_655
N3 Na3 Na1 99.63(13) . .
N3 Na3 Na2 166.22(13) . 2_655
N3 Na3 N4 64.58(15) . .
C38 C37 H37 119.2 . .
C38 C37 C36 121.7(6) . .
C36 C37 H37 119.2 . .
C37 C38 H38 120.3 . .
C39 C38 C37 119.5(6) . .
C39 C38 H38 120.3 . .
C40 C41 H41 107.2 . .
C40 C41 C42 113.3(5) . .
C40 C41 C43 111.5(6) . .
C42 C41 H41 107.2 . .
C42 C41 C43 110.1(5) . .
C43 C41 H41 107.2 . .
C14 C15 H15 120.2 . .
C14 C15 C16 119.5(6) . .
C16 C15 H15 120.2 . .
C15 C14 H14 118.9 . .
C15 C14 C13 122.2(6) . .
C13 C14 H14 118.9 . .
C38 C39 H39 118.9 . .
C38 C39 C40 122.2(6) . .
C40 C39 H39 118.9 . .
C22 C21 H21 107.6 . .
C22 C21 C23 109.2(8) . .
C22 C21 C13 110.8(7) . .
C23 C21 H21 107.6 . .
C13 C21 H21 107.6 . .
C13 C21 C23 114.0(7) . .
H68A C68 H68B 109.5 . .
H68A C68 H68C 109.5 . .
H68B C68 H68C 109.5 . .
C67 C68 H68A 109.5 . .
C67 C68 H68B 109.5 . .
C67 C68 H68C 109.5 . .
C39 C40 C41 123.0(5) . .
C39 C40 C35 116.6(5) . .
C35 C40 C41 120.4(5) . .
H69A C69 H69B 109.5 . .
H69A C69 H69C 109.5 . .
H69B C69 H69C 109.5 . .
C67 C69 H69A 109.5 . .
C67 C69 H69B 109.5 . .
C67 C69 H69C 109.5 . .
H65A C65 H65B 109.5 . .
H65A C65 H65C 109.5 . .
H65B C65 H65C 109.5 . .
C64 C65 H65A 109.5 . .
C64 C65 H65B 109.5 . .
C64 C65 H65C 109.5 . .
H66A C66 H66B 109.5 . .
H66A C66 H66C 109.5 . .
H66B C66 H66C 109.5 . .
C64 C66 H66A 109.5 . .
C64 C66 H66B 109.5 . .
C64 C66 H66C 109.5 . .
C65 C64 H64 108.5 . .
C66 C64 C65 108.0(7) . .
C66 C64 H64 108.5 . .
C63 C64 C65 114.1(6) . .
C63 C64 C66 109.0(5) . .
C63 C64 H64 108.5 . .
H45A C45 H45B 109.5 . .
H45A C45 H45C 109.5 . .
H45B C45 H45C 109.5 . .
C44 C45 H45A 109.5 . .
C44 C45 H45B 109.5 . .
C44 C45 H45C 109.5 . .
C21 C22 H22A 109.5 . .
C21 C22 H22B 109.5 . .
C21 C22 H22C 109.5 . .
H22A C22 H22B 109.5 . .
H22A C22 H22C 109.5 . .
H22B C22 H22C 109.5 . .
H20A C20 H20B 109.5 . .
H20A C20 H20C 109.5 . .
H20B C20 H20C 109.5 . .
C18 C20 H20A 109.5 . .
C18 C20 H20B 109.5 . .
C18 C20 H20C 109.5 . .
C21 C23 H23A 109.5 . .
C21 C23 H23B 109.5 . .
C21 C23 H23C 109.5 . .
H23A C23 H23B 109.5 . .
H23A C23 H23C 109.5 . .
H23B C23 H23C 109.5 . .
C49 C48 H48 118.8 . .
C47 C48 H48 118.8 . .
C47 C48 C49 122.3(5) . .
C55 C54 H54 119.1 . .
C55 C54 C52 121.8(5) . .
C52 C54 H54 119.1 . .
Na1 O2 Na2 92.60(14) . .
Na1 O2 Na3 91.31(13) . .
Na2 O2 Na3 128.64(16) . .
C24 O2 Na1 122.0(3) . .
C24 O2 Na2 102.7(3) . .
C24 O2 Na3 117.9(3) . .
Na1 O3 Na3 93.22(14) . .
Na2 O3 Na1 109.19(16) 2_655 .
Na2 O3 Na3 93.33(15) 2_655 .
C47 O3 Na1 112.7(3) . .
C47 O3 Na2 117.4(3) . 2_655
C47 O3 Na3 127.3(3) . .
Na1 O1 Na2 91.26(15) . .
Na1 O1 Na3 115.34(16) . 2_655
Na3 O1 Na2 89.29(14) 2_655 .
C1 O1 Na1 117.3(3) . .
C1 O1 Na2 97.5(3) . .
C1 O1 Na3 126.7(3) . 2_655
C24 C30 C29 120.9(4) . .
N3 C30 C24 117.4(4) . .
N3 C30 C29 121.7(5) . .
O2 C24 Na2 51.1(2) . .
O2 C24 C30 119.4(4) . .
O2 C24 C25 123.5(5) . .
C30 C24 Na2 146.0(3) . .
C25 C24 Na2 80.8(3) . .
C25 C24 C30 117.1(4) . .
C7 N1 Na1 110.9(3) . .
C10 N1 Na1 130.1(3) . .
C10 N1 C7 118.0(4) . .
Na2 C1 Na1 67.66(13) . .
O1 C1 Na1 40.5(2) . .
O1 C1 Na2 55.6(2) . .
O1 C1 C2 123.0(5) . .
O1 C1 C7 120.7(5) . .
C2 C1 Na1 160.7(4) . .
C2 C1 Na2 94.8(3) . .
C2 C1 C7 116.3(5) . .
C7 C1 Na1 80.9(3) . .
C7 C1 Na2 120.2(3) . .
C1 C2 H2 118.9 . .
C1 C2 C3 122.3(5) . .
C3 C2 H2 118.9 . .
C32 C31 H31 119.2 . .
C32 C31 C29 121.7(5) . .
C29 C31 H31 119.2 . .
C34 N4 Na3 112.9(4) . .
C34 N4 C35 117.4(5) . .
C35 N4 Na3 129.6(3) . .
C53 N5 Na2 110.3(3) . 2_655
C56 N5 Na2 131.8(3) . 2_655
C56 N5 C53 117.8(4) . .
C54 C55 H55 121.1 . .
C54 C55 C56 117.8(5) . .
C56 C55 H55 121.1 . .
C31 C32 H32 120.9 . .
C31 C32 C33 118.1(5) . .
C33 C32 H32 120.9 . .
C4 C6 C8 122.4(5) . .
C4 C6 C7 121.6(5) . .
C8 C6 C7 116.0(5) . .
C6 C4 C5 122.2(5) . .
C3 C4 C6 117.4(5) . .
C3 C4 C5 120.3(5) . .
C30 N3 Na3 116.6(3) . .
C33 N3 Na3 123.9(3) . .
C33 N3 C30 119.5(4) . .
C48 C49 H49 118.1 . .
C50 C49 C48 123.7(5) . .
C50 C49 H49 118.1 . .
N4 C34 H34 118.9 . .
N4 C34 C33 122.2(5) . .
C33 C34 H34 118.9 . .
N5 C53 C47 116.1(4) . .
N5 C53 C52 122.2(4) . .
C52 C53 C47 121.7(4) . .
C6 C8 H8 119.3 . .
C9 C8 C6 121.5(5) . .
C9 C8 H8 119.3 . .
C59 C58 N6 117.1(5) . .
C63 C58 N6 120.0(5) . .
C63 C58 C59 122.6(5) . .
C57 N6 C58 120.2(5) . .
C49 C50 C52 116.9(5) . .
C49 C50 C51 122.6(5) . .
C52 C50 C51 120.5(5) . .
C11 N2 C12 120.7(5) . .
C58 C59 C67 121.1(5) . .
C60 C59 C58 117.1(5) . .
C60 C59 C67 121.7(5) . .
C8 C9 H9 120.9 . .
C8 C9 C10 118.2(5) . .
C10 C9 H9 120.9 . .
C2 C3 H3 118.6 . .
C4 C3 C2 122.7(5) . .
C4 C3 H3 118.6 . .
Na1 C47 Na2 74.36(13) . 2_655
C48 C47 Na1 92.0(3) . .
C48 C47 Na2 161.9(4) . 2_655
C48 C47 C53 115.0(5) . .
O3 C47 Na1 44.1(2) . .
O3 C47 Na2 40.3(2) . 2_655
O3 C47 C48 121.7(5) . .
O3 C47 C53 123.2(4) . .
C53 C47 Na1 136.0(3) . .
C53 C47 Na2 83.0(3) . 2_655
C59 C60 H60 118.9 . .
C61 C60 C59 122.2(6) . .
C61 C60 H60 118.9 . .
N6 C57 H57 119.5 . .
N6 C57 C56 121.1(5) . .
C56 C57 H57 119.5 . .
C29 C27 C28 121.0(5) . .
C26 C27 C29 118.0(5) . .
C26 C27 C28 121.0(5) . .
C37 C36 C35 117.3(6) . .
C37 C36 C44 121.7(5) . .
C35 C36 C44 121.0(5) . .
C61 C62 H62 119.1 . .
C61 C62 C63 121.7(6) . .
C63 C62 H62 119.1 . .
N5 C56 C55 124.2(5) . .
N5 C56 C57 117.0(5) . .
C55 C56 C57 118.8(5) . .
C31 C29 C30 115.3(5) . .
C31 C29 C27 125.2(5) . .
C27 C29 C30 119.5(5) . .
C40 C35 N4 118.8(5) . .
C36 C35 C40 122.6(5) . .
C36 C35 N4 118.3(5) . .
C12 C17 C18 120.1(5) . .
C12 C17 C16 118.0(6) . .
C16 C17 C18 121.8(6) . .
N1 C7 C1 117.6(4) . .
N1 C7 C6 122.6(4) . .
C6 C7 C1 119.7(5) . .
N1 C10 C9 123.5(5) . .
N1 C10 C11 115.7(5) . .
C9 C10 C11 120.8(5) . .
N2 C11 C10 122.1(5) . .
N2 C11 H11 118.9 . .
C10 C11 H11 118.9 . .
C27 C26 H26 117.9 . .
C27 C26 C25 124.2(5) . .
C25 C26 H26 117.9 . .
C54 C52 C53 116.1(5) . .
C54 C52 C50 123.5(5) . .
C53 C52 C50 120.4(5) . .
C32 C33 C34 120.0(5) . .
N3 C33 C32 123.5(5) . .
N3 C33 C34 116.5(5) . .
Na2 C25 H25 101.6 . .
C24 C25 Na2 71.9(3) . .
C24 C25 C26 120.4(5) . .
C24 C25 H25 101.6 . .
C26 C25 Na2 150.5(4) . .
C26 C25 H25 101.6 . .
C41 C42 H42A 109.5 . .
C41 C42 H42B 109.5 . .
C41 C42 H42C 109.5 . .
H42A C42 H42B 109.5 . .
H42A C42 H42C 109.5 . .
H42B C42 H42C 109.5 . .
C60 C61 H61 120.3 . .
C62 C61 C60 119.5(5) . .
C62 C61 H61 120.3 . .
C58 C63 C64 122.1(5) . .
C58 C63 C62 116.9(5) . .
C62 C63 C64 120.7(5) . .
C50 C51 H51A 109.5 . .
C50 C51 H51B 109.5 . .
C50 C51 H51C 109.5 . .
H51A C51 H51B 109.5 . .
H51A C51 H51C 109.5 . .
H51B C51 H51C 109.5 . .
C17 C12 N2 120.0(5) . .
C17 C12 C13 121.8(5) . .
C13 C12 N2 117.9(5) . .
C27 C28 H28A 109.5 . .
C27 C28 H28B 109.5 . .
C27 C28 H28C 109.5 . .
H28A C28 H28B 109.5 . .
H28A C28 H28C 109.5 . .
H28B C28 H28C 109.5 . .
C4 C5 H5A 109.5 . .
C4 C5 H5B 109.5 . .
C4 C5 H5C 109.5 . .
H5A C5 H5B 109.5 . .
H5A C5 H5C 109.5 . .
H5B C5 H5C 109.5 . .
C45 C44 C36 111.3(6) . .
C45 C44 H44 107.1 . .
C45 C44 C46 111.8(7) . .
C36 C44 H44 107.1 . .
C46 C44 C36 112.1(5) . .
C46 C44 H44 107.1 . .
C14 C13 C21 122.4(6) . .
C14 C13 C12 117.0(6) . .
C12 C13 C21 120.5(6) . .
C20 C18 C17 113.2(6) . .
C20 C18 H18 107.6 . .
C17 C18 H18 107.6 . .
C19 C18 C20 111.4(7) . .
C19 C18 C17 109.2(6) . .
C19 C18 H18 107.6 . .
C15 C16 C17 121.3(6) . .
C15 C16 H16 119.3 . .
C17 C16 H16 119.3 . .
C68 C67 H67 107.4 . .
C69 C67 C68 110.8(5) . .
C69 C67 C59 113.6(5) . .
C69 C67 H67 107.4 . .
C59 C67 C68 110.0(5) . .
C59 C67 H67 107.4 . .
C41 C43 H43A 109.5 . .
C41 C43 H43B 109.5 . .
C41 C43 H43C 109.5 . .
H43A C43 H43B 109.5 . .
H43A C43 H43C 109.5 . .
H43B C43 H43C 109.5 . .
C44 C46 H46A 109.5 . .
C44 C46 H46B 109.5 . .
C44 C46 H46C 109.5 . .
H46A C46 H46B 109.5 . .
H46A C46 H46C 109.5 . .
H46B C46 H46C 109.5 . .
C18 C19 H19A 109.5 . .
C18 C19 H19B 109.5 . .
C18 C19 H19C 109.5 . .
H19A C19 H19B 109.5 . .
H19A C19 H19C 109.5 . .
H19B C19 H19C 109.5 . .
H10A C100 H10B 109.5 . .
H10A C100 H10C 109.5 . .
H10B C100 H10C 109.5 . .
C101 C100 H10A 109.5 . .
C101 C100 H10B 109.5 . .
C101 C100 H10C 109.5 . .
C105 C106 H106 120.0 . .
C105 C106 C101 120.1(11) . .
C101 C106 H106 120.0 . .
C103 C102 H102 120.5 . .
C101 C102 H102 120.5 . .
C101 C102 C103 119.0(10) . .
C102 C103 H103 120.1 . .
C104 C103 C102 119.7(11) . .
C104 C103 H103 120.1 . .
C103 C104 H104 120.0 . .
C103 C104 C105 119.9(12) . .
C105 C104 H104 120.0 . .
C106 C105 C104 123.3(11) . .
C106 C105 H105 118.4 . .
C104 C105 H105 118.4 . .
C106 C101 C100 117.6(12) . .
C106 C101 C102 118.0(11) . .
C102 C101 C100 124.5(12) . .
loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_site_symmetry_2
Na1 Na2 3.679(3) 2_655
Na1 Na2 3.336(3) .
Na1 Na3 3.873(4) 2_655
Na1 Na3 3.368(3) .
Na1 O2 2.306(4) .
Na1 O3 2.294(4) .
Na1 O1 2.264(4) .
Na1 N1 2.457(4) .
Na1 C1 3.099(6) .
Na1 C47 3.043(5) .
Na2 Na1 3.679(3) 2_655
Na2 Na3 3.318(3) 2_655
Na2 O2 2.308(4) .
Na2 O3 2.220(4) 2_655
Na2 O1 2.401(4) .
Na2 C24 2.895(6) .
Na2 C1 2.885(6) .
Na2 N5 2.456(4) 2_655
Na2 C47 3.046(5) 2_655
Na2 C25 3.006(6) .
Na3 Na1 3.873(4) 2_655
Na3 Na2 3.318(3) 2_655
Na3 O2 2.403(4) .
Na3 O3 2.340(4) .
Na3 O1 2.320(4) 2_655
Na3 N4 2.700(5) .
Na3 N3 2.432(4) .
C37 H37 0.9500 .
C37 C38 1.383(9) .
C37 C36 1.387(8) .
C38 H38 0.9500 .
C38 C39 1.379(9) .
C41 H41 1.0000 .
C41 C40 1.516(8) .
C41 C42 1.527(9) .
C41 C43 1.529(9) .
C15 H15 0.9500 .
C15 C14 1.377(9) .
C15 C16 1.379(9) .
C14 H14 0.9500 .
C14 C13 1.393(9) .
C39 H39 0.9500 .
C39 C40 1.386(8) .
C21 H21 1.0000 .
C21 C22 1.482(11) .
C21 C23 1.539(11) .
C21 C13 1.501(9) .
C68 H68A 0.9800 .
C68 H68B 0.9800 .
C68 H68C 0.9800 .
C68 C67 1.533(8) .
C40 C35 1.413(8) .
C69 H69A 0.9800 .
C69 H69B 0.9800 .
C69 H69C 0.9800 .
C69 C67 1.521(8) .
C65 H65A 0.9800 .
C65 H65B 0.9800 .
C65 H65C 0.9800 .
C65 C64 1.520(10) .
C66 H66A 0.9800 .
C66 H66B 0.9800 .
C66 H66C 0.9800 .
C66 C64 1.518(9) .
C64 H64 1.0000 .
C64 C63 1.516(8) .
C45 H45A 0.9800 .
C45 H45B 0.9800 .
C45 H45C 0.9800 .
C45 C44 1.493(9) .
C22 H22A 0.9800 .
C22 H22B 0.9800 .
C22 H22C 0.9800 .
C20 H20A 0.9800 .
C20 H20B 0.9800 .
C20 H20C 0.9800 .
C20 C18 1.518(10) .
C23 H23A 0.9800 .
C23 H23B 0.9800 .
C23 H23C 0.9800 .
C48 H48 0.9500 .
C48 C49 1.402(8) .
C48 C47 1.400(7) .
C54 H54 0.9500 .
C54 C55 1.360(8) .
C54 C52 1.423(7) .
O2 C24 1.311(5) .
O3 Na2 2.220(4) 2_655
O3 C47 1.301(6) .
O1 Na3 2.320(4) 2_655
O1 C1 1.318(6) .
C30 C24 1.448(7) .
C30 N3 1.350(6) .
C30 C29 1.455(6) .
C24 C25 1.395(7) .
N1 C7 1.370(6) .
N1 C10 1.339(6) .
C1 C2 1.386(7) .
C1 C7 1.462(7) .
C2 H2 0.9500 .
C2 C3 1.409(7) .
C31 H31 0.9500 .
C31 C32 1.361(7) .
C31 C29 1.411(7) .
N4 C34 1.271(7) .
N4 C35 1.447(6) .
N5 Na2 2.456(4) 2_655
N5 C53 1.384(6) .
N5 C56 1.332(6) .
C55 H55 0.9500 .
C55 C56 1.406(7) .
C32 H32 0.9500 .
C32 C33 1.403(7) .
C6 C4 1.405(7) .
C6 C8 1.417(7) .
C6 C7 1.433(7) .
C4 C3 1.376(8) .
C4 C5 1.511(7) .
N3 C33 1.314(6) .
C49 H49 0.9500 .
C49 C50 1.366(8) .
C34 H34 0.9500 .
C34 C33 1.486(7) .
C53 C47 1.451(7) .
C53 C52 1.425(7) .
C8 H8 0.9500 .
C8 C9 1.366(8) .
C58 N6 1.438(6) .
C58 C59 1.407(7) .
C58 C63 1.400(8) .
N6 C57 1.274(6) .
C50 C52 1.430(7) .
C50 C51 1.512(8) .
N2 C11 1.277(6) .
N2 C12 1.423(7) .
C59 C60 1.383(7) .
C59 C67 1.528(8) .
C9 H9 0.9500 .
C9 C10 1.408(7) .
C3 H3 0.9500 .
C47 Na2 3.046(5) 2_655
C60 H60 0.9500 .
C60 C61 1.383(8) .
C57 H57 0.9500 .
C57 C56 1.483(7) .
C27 C29 1.413(7) .
C27 C26 1.368(7) .
C27 C28 1.512(7) .
C36 C35 1.399(8) .
C36 C44 1.541(8) .
C62 H62 0.9500 .
C62 C61 1.373(8) .
C62 C63 1.405(8) .
C17 C12 1.396(8) .
C17 C18 1.555(8) .
C17 C16 1.400(8) .
C10 C11 1.465(7) .
C11 H11 0.9500 .
C26 H26 0.9500 .
C26 C25 1.419(7) .
C25 H25 1.0000 .
C42 H42A 0.9800 .
C42 H42B 0.9800 .
C42 H42C 0.9800 .
C61 H61 0.9500 .
C51 H51A 0.9800 .
C51 H51B 0.9800 .
C51 H51C 0.9800 .
C12 C13 1.418(8) .
C28 H28A 0.9800 .
C28 H28B 0.9800 .
C28 H28C 0.9800 .
C5 H5A 0.9800 .
C5 H5B 0.9800 .
C5 H5C 0.9800 .
C44 H44 1.0000 .
C44 C46 1.506(9) .
C18 H18 1.0000 .
C18 C19 1.488(10) .
C16 H16 0.9500 .
C67 H67 1.0000 .
C43 H43A 0.9800 .
C43 H43B 0.9800 .
C43 H43C 0.9800 .
C46 H46A 0.9800 .
C46 H46B 0.9800 .
C46 H46C 0.9800 .
C19 H19A 0.9800 .
C19 H19B 0.9800 .
C19 H19C 0.9800 .
C100 H10A 0.9800 .
C100 H10B 0.9800 .
C100 H10C 0.9800 .
C100 C101 1.520(14) .
C106 H106 0.9500 .
C106 C105 1.349(15) .
C106 C101 1.373(13) .
C102 H102 0.9500 .
C102 C103 1.474(14) .
C102 C101 1.375(13) .
C103 H103 0.9500 .
C103 C104 1.286(12) .
C104 H104 0.9500 .
C104 C105 1.353(14) .
C105 H105 0.9500 .
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
Na1 Na2 O2 Na1 87.14(11) 2_655 .
Na1 Na2 O2 Na3 -6.61(19) 2_655 .
Na1 Na2 O2 Na3 -93.8(2) . .
Na1 Na2 O2 C24 123.7(3) . .
Na1 Na2 O2 C24 -149.2(3) 2_655 .
Na1 Na2 O1 Na1 -78.84(11) 2_655 .
Na1 Na2 O1 Na3 115.33(16) . 2_655
Na1 Na2 O1 Na3 36.49(11) 2_655 2_655
Na1 Na2 O1 C1 -117.8(3) . .
Na1 Na2 O1 C1 163.4(3) 2_655 .
Na1 Na2 C24 O2 -40.9(3) . .
Na1 Na2 C24 O2 32.1(3) 2_655 .
Na1 Na2 C24 C30 -53.9(6) 2_655 .
Na1 Na2 C24 C30 -126.9(6) . .
Na1 Na2 C24 C25 107.3(3) . .
Na1 Na2 C24 C25 -179.6(3) 2_655 .
Na1 Na2 C1 Na1 -63.10(13) 2_655 .
Na1 Na2 C1 O1 44.3(3) . .
Na1 Na2 C1 O1 -18.8(3) 2_655 .
Na1 Na2 C1 C2 108.5(3) 2_655 .
Na1 Na2 C1 C2 171.6(4) . .
Na1 Na2 C1 C7 -64.2(4) . .
Na1 Na2 C1 C7 -127.3(4) 2_655 .
Na1 Na2 C25 C24 -61.6(3) . .
Na1 Na2 C25 C24 0.5(4) 2_655 .
Na1 Na2 C25 C26 178.2(8) . .
Na1 Na2 C25 C26 -119.7(8) 2_655 .
Na1 Na3 O2 Na1 -88.00(11) 2_655 .
Na1 Na3 O2 Na2 94.4(2) . .
Na1 Na3 O2 Na2 6.37(18) 2_655 .
Na1 Na3 O2 C24 -127.8(4) . .
Na1 Na3 O2 C24 144.2(3) 2_655 .
Na1 Na3 O3 Na1 77.05(12) 2_655 .
Na1 Na3 O3 Na2 -32.41(11) 2_655 2_655
Na1 Na3 O3 Na2 -109.46(17) . 2_655
Na1 Na3 O3 C47 121.9(4) . .
Na1 Na3 O3 C47 -161.0(4) 2_655 .
Na1 Na3 N4 C34 -119.8(4) 2_655 .
Na1 Na3 N4 C34 64.2(5) . .
Na1 Na3 N4 C35 64.1(5) 2_655 .
Na1 Na3 N4 C35 -112.0(4) . .
Na1 Na3 N3 C30 -58.2(4) 2_655 .
Na1 Na3 N3 C30 27.0(4) . .
Na1 Na3 N3 C33 123.5(4) 2_655 .
Na1 Na3 N3 C33 -151.3(4) . .
Na1 O2 C24 Na2 101.3(3) . .
Na1 O2 C24 C30 -118.5(4) . .
Na1 O2 C24 C25 62.8(6) . .
Na1 O3 C47 Na2 -128.2(4) . 2_655
Na1 O3 C47 C48 54.6(6) . .
Na1 O3 C47 C53 -124.0(4) . .
Na1 O1 C1 Na2 -95.3(3) . .
Na1 O1 C1 C2 -166.4(4) . .
Na1 O1 C1 C7 12.2(6) . .
Na1 N1 C7 C1 -7.7(5) . .
Na1 N1 C7 C6 171.2(4) . .
Na1 N1 C10 C9 -167.3(4) . .
Na1 N1 C10 C11 11.0(7) . .
Na1 C1 C2 C3 155.0(9) . .
Na1 C1 C7 N1 5.8(4) . .
Na1 C1 C7 C6 -173.2(4) . .
Na2 Na1 Na2 Na1 0.0 2_655 2_655
Na2 Na1 Na2 Na3 -57.51(6) 2_655 2_655
Na2 Na1 Na2 O2 87.92(14) 2_655 .
Na2 Na1 Na2 O3 -28.75(11) 2_655 2_655
Na2 Na1 Na2 O1 -99.39(14) 2_655 .
Na2 Na1 Na2 C24 112.68(13) 2_655 .
Na2 Na1 Na2 C1 -127.20(14) 2_655 .
Na2 Na1 Na2 N5 -66(4) 2_655 2_655
Na2 Na1 Na2 C47 -30.74(15) 2_655 2_655
Na2 Na1 Na2 C25 140.04(13) 2_655 .
Na2 Na1 Na3 Na1 -55.51(6) 2_655 2_655
Na2 Na1 Na3 Na1 50.22(5) . 2_655
Na2 Na1 Na3 Na2 105.74(7) . 2_655
Na2 Na1 Na3 O2 -139.09(14) 2_655 .
Na2 Na1 Na3 O2 -33.36(12) . .
Na2 Na1 Na3 O3 149.00(15) . .
Na2 Na1 Na3 O3 43.26(13) 2_655 .
Na2 Na1 Na3 O1 -31.45(11) 2_655 2_655
Na2 Na1 Na3 O1 74.29(12) . 2_655
Na2 Na1 Na3 N4 121.5(2) 2_655 .
Na2 Na1 Na3 N4 -132.8(2) . .
Na2 Na1 Na3 N3 177.61(13) 2_655 .
Na2 Na1 Na3 N3 -76.66(12) . .
Na2 Na1 O2 Na2 -95.85(11) 2_655 .
Na2 Na1 O2 Na3 32.92(11) 2_655 .
Na2 Na1 O2 Na3 128.77(16) . .
Na2 Na1 O2 C24 -106.8(4) . .
Na2 Na1 O2 C24 157.4(3) 2_655 .
Na2 Na1 O3 Na2 60.43(18) . 2_655
Na2 Na1 O3 Na3 -94.65(18) 2_655 .
Na2 Na1 O3 Na3 -34.22(15) . .
Na2 Na1 O3 C47 132.4(4) 2_655 .
Na2 Na1 O3 C47 -167.2(3) . .
Na2 Na1 O1 Na2 88.03(11) 2_655 .
Na2 Na1 O1 Na3 -1.78(18) 2_655 2_655
Na2 Na1 O1 Na3 -89.81(17) . 2_655
Na2 Na1 O1 C1 -172.9(3) 2_655 .
Na2 Na1 O1 C1 99.1(4) . .
Na2 Na1 N1 C7 80.9(5) 2_655 .
Na2 Na1 N1 C7 -32.5(3) . .
Na2 Na1 N1 C10 135.4(4) . .
Na2 Na1 N1 C10 -111.2(5) 2_655 .
Na2 Na1 C1 Na2 70.98(14) 2_655 .
Na2 Na1 C1 O1 8.3(4) 2_655 .
Na2 Na1 C1 O1 -62.7(3) . .
Na2 Na1 C1 C2 44.8(12) 2_655 .
Na2 Na1 C1 C2 -26.2(11) . .
Na2 Na1 C1 C7 -161.0(2) 2_655 .
Na2 Na1 C1 C7 128.0(3) . .
Na2 Na1 C47 Na2 49.4(2) . 2_655
Na2 Na1 C47 C48 -118.5(3) . .
Na2 Na1 C47 C48 -167.9(4) 2_655 .
Na2 Na1 C47 O3 -31.8(3) 2_655 .
Na2 Na1 C47 O3 17.6(4) . .
Na2 Na1 C47 C53 61.9(4) 2_655 .
Na2 Na1 C47 C53 111.3(5) . .
Na2 Na3 O2 Na1 -37.79(12) 2_655 .
Na2 Na3 O2 Na2 56.6(2) 2_655 .
Na2 Na3 O2 C24 -165.5(3) 2_655 .
Na2 Na3 O3 Na1 109.46(17) 2_655 .
Na2 Na3 O3 C47 -128.6(4) 2_655 .
Na2 Na3 N4 C34 168.8(4) 2_655 .
Na2 Na3 N4 C35 -7.4(5) 2_655 .
Na2 Na3 N3 C30 36.3(8) 2_655 .
Na2 Na3 N3 C33 -142.0(5) 2_655 .
Na2 O2 C24 C30 140.2(4) . .
Na2 O2 C24 C25 -38.5(5) . .
Na2 O3 C47 Na1 128.2(4) 2_655 .
Na2 O3 C47 C48 -177.2(4) 2_655 .
Na2 O3 C47 C53 4.2(6) 2_655 .
Na2 O1 C1 Na1 95.3(3) . .
Na2 O1 C1 C2 -71.1(5) . .
Na2 O1 C1 C7 107.6(4) . .
Na2 C24 C25 C26 150.4(5) . .
Na2 C1 C2 C3 130.9(5) . .
Na2 C1 C7 N1 63.2(5) . .
Na2 C1 C7 C6 -115.7(4) . .
Na2 N5 C53 C47 -0.5(5) 2_655 .
Na2 N5 C53 C52 179.3(4) 2_655 .
Na2 N5 C56 C55 -179.0(4) 2_655 .
Na2 N5 C56 C57 1.4(7) 2_655 .
Na3 Na1 Na2 Na1 57.51(6) 2_655 2_655
Na3 Na1 Na2 Na1 -53.36(6) . 2_655
Na3 Na1 Na2 Na3 -110.87(7) . 2_655
Na3 Na1 Na2 O2 145.43(14) 2_655 .
Na3 Na1 Na2 O2 34.56(13) . .
Na3 Na1 Na2 O3 -82.11(13) . 2_655
Na3 Na1 Na2 O3 28.76(11) 2_655 2_655
Na3 Na1 Na2 O1 -152.75(14) . .
Na3 Na1 Na2 O1 -41.88(13) 2_655 .
Na3 Na1 Na2 C24 170.19(13) 2_655 .
Na3 Na1 Na2 C24 59.32(13) . .
Na3 Na1 Na2 C1 179.44(13) . .
Na3 Na1 Na2 C1 -69.70(14) 2_655 .
Na3 Na1 Na2 N5 -8(4) 2_655 2_655
Na3 Na1 Na2 N5 -119(4) . 2_655
Na3 Na1 Na2 C47 26.76(14) 2_655 2_655
Na3 Na1 Na2 C47 -84.10(16) . 2_655
Na3 Na1 Na2 C25 -162.45(13) 2_655 .
Na3 Na1 Na2 C25 86.68(13) . .
Na3 Na1 Na3 Na1 0.000(2) 2_655 2_655
Na3 Na1 Na3 Na2 55.51(6) 2_655 2_655
Na3 Na1 Na3 O2 -83.58(13) 2_655 .
Na3 Na1 Na3 O3 98.77(14) 2_655 .
Na3 Na1 Na3 O1 24.06(10) 2_655 2_655
Na3 Na1 Na3 N4 177.0(2) 2_655 .
Na3 Na1 Na3 N3 -126.88(13) 2_655 .
Na3 Na1 O2 Na2 -27.42(11) 2_655 .
Na3 Na1 O2 Na2 -128.77(16) . .
Na3 Na1 O2 Na3 101.35(10) 2_655 .
Na3 Na1 O2 C24 -134.2(3) 2_655 .
Na3 Na1 O2 C24 124.4(4) . .
Na3 Na1 O3 Na2 4.19(16) 2_655 2_655
Na3 Na1 O3 Na2 94.65(18) . 2_655
Na3 Na1 O3 Na3 -90.46(12) 2_655 .
Na3 Na1 O3 C47 136.6(3) 2_655 .
Na3 Na1 O3 C47 -132.9(4) . .
Na3 Na1 O1 Na2 89.81(17) 2_655 .
Na3 Na1 O1 Na2 30.99(15) . .
Na3 Na1 O1 Na3 -58.8(2) . 2_655
Na3 Na1 O1 C1 -171.1(4) 2_655 .
Na3 Na1 O1 C1 130.0(3) . .
Na3 Na1 N1 C7 21.0(3) 2_655 .
Na3 Na1 N1 C7 -105.1(3) . .
Na3 Na1 N1 C10 62.9(5) . .
Na3 Na1 N1 C10 -171.1(4) 2_655 .
Na3 Na1 C1 Na2 68.52(10) 2_655 .
Na3 Na1 C1 Na2 -0.74(18) . .
Na3 Na1 C1 O1 -63.4(4) . .
Na3 Na1 C1 O1 5.9(3) 2_655 .
Na3 Na1 C1 C2 -26.9(12) . .
Na3 Na1 C1 C2 42.3(11) 2_655 .
Na3 Na1 C1 C7 127.2(3) . .
Na3 Na1 C1 C7 -163.5(3) 2_655 .
Na3 Na1 C47 Na2 -18.14(14) 2_655 2_655
Na3 Na1 C47 Na2 67.12(10) . 2_655
Na3 Na1 C47 C48 -100.8(3) . .
Na3 Na1 C47 C48 173.9(3) 2_655 .
Na3 Na1 C47 O3 -50.0(3) 2_655 .
Na3 Na1 C47 O3 35.3(3) . .
Na3 Na1 C47 C53 43.7(5) 2_655 .
Na3 Na1 C47 C53 129.0(5) . .
Na3 Na2 O2 Na1 34.34(14) 2_655 .
Na3 Na2 O2 Na3 -59.4(2) 2_655 .
Na3 Na2 O2 C24 158.0(3) 2_655 .
Na3 Na2 O1 Na1 -115.33(16) 2_655 .
Na3 Na2 O1 C1 126.9(3) 2_655 .
Na3 Na2 C24 O2 -28.4(4) 2_655 .
Na3 Na2 C24 C30 -114.5(6) 2_655 .
Na3 Na2 C24 C25 119.8(3) 2_655 .
Na3 Na2 C1 Na1 -83.01(11) 2_655 .
Na3 Na2 C1 O1 -38.7(3) 2_655 .
Na3 Na2 C1 C2 88.6(3) 2_655 .
Na3 Na2 C1 C7 -147.2(4) 2_655 .
Na3 Na2 C25 C24 -87.7(3) 2_655 .
Na3 Na2 C25 C26 152.1(7) 2_655 .
Na3 O2 C24 Na2 -147.5(3) . .
Na3 O2 C24 C30 -7.3(6) . .
Na3 O2 C24 C25 174.0(4) . .
Na3 O3 C47 Na1 -113.3(4) . .
Na3 O3 C47 Na2 118.5(4) . 2_655
Na3 O3 C47 C48 -58.7(6) . .
Na3 O3 C47 C53 122.7(4) . .
Na3 O1 C1 Na1 -170.0(5) 2_655 .
Na3 O1 C1 Na2 94.7(3) 2_655 .
Na3 O1 C1 C2 23.6(7) 2_655 .
Na3 O1 C1 C7 -157.8(4) 2_655 .
Na3 N4 C34 C33 1.5(7) . .
Na3 N4 C35 C40 -91.5(6) . .
Na3 N4 C35 C36 82.7(6) . .
Na3 N3 C33 C32 180.0(4) . .
Na3 N3 C33 C34 0.6(7) . .
C37 C38 C39 C40 -0.3(11) . .
C37 C36 C35 C40 -4.2(9) . .
C37 C36 C35 N4 -178.1(5) . .
C37 C36 C44 C45 -81.9(8) . .
C37 C36 C44 C46 44.1(8) . .
C38 C37 C36 C35 1.7(9) . .
C38 C37 C36 C44 -177.5(6) . .
C38 C39 C40 C41 178.4(6) . .
C38 C39 C40 C35 -2.0(10) . .
C41 C40 C35 N4 -2.1(8) . .
C41 C40 C35 C36 -176.0(6) . .
C15 C14 C13 C21 179.0(6) . .
C15 C14 C13 C12 -1.2(9) . .
C14 C15 C16 C17 -1.6(9) . .
C39 C40 C35 N4 178.2(5) . .
C39 C40 C35 C36 4.3(9) . .
C65 C64 C63 C58 157.9(7) . .
C65 C64 C63 C62 -28.6(9) . .
C66 C64 C63 C58 -81.3(7) . .
C66 C64 C63 C62 92.3(7) . .
C22 C21 C13 C14 -91.0(9) . .
C22 C21 C13 C12 89.3(8) . .
C23 C21 C13 C14 32.6(10) . .
C23 C21 C13 C12 -147.1(7) . .
C48 C49 C50 C52 -0.2(10) . .
C48 C49 C50 C51 -179.2(7) . .
C54 C55 C56 N5 -0.6(8) . .
C54 C55 C56 C57 179.0(5) . .
O2 Na1 Na2 Na1 -87.92(14) . 2_655
O2 Na1 Na2 Na3 -145.43(14) . 2_655
O2 Na1 Na2 O3 -116.67(18) . 2_655
O2 Na1 Na2 O1 172.70(19) . .
O2 Na1 Na2 C24 24.76(16) . .
O2 Na1 Na2 C1 144.88(18) . .
O2 Na1 Na2 N5 -154(4) . 2_655
O2 Na1 Na2 C47 -118.7(2) . 2_655
O2 Na1 Na2 C25 52.12(17) . .
O2 Na1 Na3 Na1 83.58(13) . 2_655
O2 Na1 Na3 Na2 139.09(14) . 2_655
O2 Na1 Na3 O3 -177.65(19) . .
O2 Na1 Na3 O1 107.64(17) . 2_655
O2 Na1 Na3 N4 -99.4(3) . .
O2 Na1 Na3 N3 -43.30(16) . .
O2 Na1 O3 Na2 96.33(17) . 2_655
O2 Na1 O3 Na3 1.68(14) . .
O2 Na1 O3 C47 -131.3(3) . .
O2 Na1 O1 Na2 -5.04(13) . .
O2 Na1 O1 Na3 -94.85(18) . 2_655
O2 Na1 O1 C1 94.0(3) . .
O2 Na1 N1 C7 -74.7(3) . .
O2 Na1 N1 C10 93.2(4) . .
O2 Na1 C1 Na2 -23.44(12) . .
O2 Na1 C1 O1 -86.1(3) . .
O2 Na1 C1 C2 -49.6(12) . .
O2 Na1 C1 C7 104.5(3) . .
O2 Na1 C47 Na2 82.79(14) . 2_655
O2 Na1 C47 C48 -85.1(3) . .
O2 Na1 C47 O3 50.9(3) . .
O2 Na1 C47 C53 144.7(5) . .
O2 Na2 O1 Na1 5.05(13) . .
O2 Na2 O1 Na3 120.38(14) . 2_655
O2 Na2 O1 C1 -112.7(3) . .
O2 Na2 C24 C30 -86.0(6) . .
O2 Na2 C24 C25 148.2(5) . .
O2 Na2 C1 Na1 23.57(12) . .
O2 Na2 C1 O1 67.9(3) . .
O2 Na2 C1 C2 -164.8(3) . .
O2 Na2 C1 C7 -40.6(4) . .
O2 Na2 C25 C24 -17.3(3) . .
O2 Na2 C25 C26 -137.5(9) . .
O2 Na3 O3 Na1 -1.61(13) . .
O2 Na3 O3 Na2 -111.07(14) . 2_655
O2 Na3 O3 C47 120.3(4) . .
O2 Na3 N4 C34 -3.0(5) . .
O2 Na3 N4 C35 -179.2(4) . .
O2 Na3 N3 C30 -3.3(3) . .
O2 Na3 N3 C33 178.4(4) . .
O2 C24 C25 Na2 29.4(4) . .
O2 C24 C25 C26 179.8(5) . .
O3 Na1 Na2 Na1 -29.90(11) . 2_655
O3 Na1 Na2 Na3 -87.41(13) . 2_655
O3 Na1 Na2 O2 58.01(17) . .
O3 Na1 Na2 O3 -58.7(2) . 2_655
O3 Na1 Na2 O1 -129.29(18) . .
O3 Na1 Na2 C24 82.77(17) . .
O3 Na1 Na2 C1 -157.11(18) . .
O3 Na1 Na2 N5 -96(4) . 2_655
O3 Na1 Na2 C47 -60.6(2) . 2_655
O3 Na1 Na2 C25 110.14(17) . .
O3 Na1 Na3 Na1 -98.77(14) . 2_655
O3 Na1 Na3 Na2 -43.26(13) . 2_655
O3 Na1 Na3 O2 177.65(19) . .
O3 Na1 Na3 O1 -74.71(16) . 2_655
O3 Na1 Na3 N4 78.2(3) . .
O3 Na1 Na3 N3 134.35(18) . .
O3 Na1 O2 Na2 -130.40(14) . .
O3 Na1 O2 Na3 -1.63(13) . .
O3 Na1 O2 C24 122.8(4) . .
O3 Na1 O1 Na2 83.6(2) . .
O3 Na1 O1 Na3 -6.2(3) . 2_655
O3 Na1 O1 C1 -177.3(3) . .
O3 Na1 N1 C7 169.6(3) . .
O3 Na1 N1 C10 -22.4(6) . .
O3 Na1 C1 Na2 67.6(4) . .
O3 Na1 C1 O1 4.9(6) . .
O3 Na1 C1 C2 41.4(14) . .
O3 Na1 C1 C7 -164.4(4) . .
O3 Na1 C47 Na2 31.8(3) . 2_655
O3 Na1 C47 C48 -136.1(5) . .
O3 Na1 C47 C53 93.7(6) . .
O3 Na2 O2 Na1 81.83(18) 2_655 .
O3 Na2 O2 Na3 -11.9(3) 2_655 .
O3 Na2 O2 C24 -154.5(3) 2_655 .
O3 Na2 O1 Na1 -114.83(14) 2_655 .
O3 Na2 O1 Na3 0.50(14) 2_655 2_655
O3 Na2 O1 C1 127.4(3) 2_655 .
O3 Na2 C24 O2 37.7(4) 2_655 .
O3 Na2 C24 C30 -48.3(7) 2_655 .
O3 Na2 C24 C25 -174.0(3) 2_655 .
O3 Na2 C1 Na1 -99.70(14) 2_655 .
O3 Na2 C1 O1 -55.4(3) 2_655 .
O3 Na2 C1 C2 71.9(3) 2_655 .
O3 Na2 C1 C7 -163.9(4) 2_655 .
O3 Na2 C25 C24 19.6(10) 2_655 .
O3 Na2 C25 C26 -100.6(11) 2_655 .
O3 Na3 O2 Na1 1.60(13) . .
O3 Na3 O2 Na2 96.0(2) . .
O3 Na3 O2 C24 -126.2(3) . .
O3 Na3 N4 C34 117.2(4) . .
O3 Na3 N4 C35 -59.0(5) . .
O3 Na3 N3 C30 64.1(4) . .
O3 Na3 N3 C33 -114.2(4) . .
O1 Na1 Na2 Na1 99.39(14) . 2_655
O1 Na1 Na2 Na3 41.88(13) . 2_655
O1 Na1 Na2 O2 -172.70(19) . .
O1 Na1 Na2 O3 70.64(17) . 2_655
O1 Na1 Na2 C24 -147.94(18) . .
O1 Na1 Na2 C1 -27.82(16) . .
O1 Na1 Na2 N5 34(4) . 2_655
O1 Na1 Na2 C47 68.64(19) . 2_655
O1 Na1 Na2 C25 -120.57(17) . .
O1 Na1 Na3 Na1 28.02(12) . 2_655
O1 Na1 Na3 Na2 83.53(13) . 2_655
O1 Na1 Na3 O2 -55.56(17) . .
O1 Na1 Na3 O3 126.79(19) . .
O1 Na1 Na3 O1 52.1(2) . 2_655
O1 Na1 Na3 N4 -155.0(2) . .
O1 Na1 Na3 N3 -98.86(17) . .
O1 Na1 O2 Na2 5.25(14) . .
O1 Na1 O2 Na3 134.02(13) . .
O1 Na1 O2 C24 -101.5(4) . .
O1 Na1 O3 Na2 7.6(3) . 2_655
O1 Na1 O3 Na3 -87.0(2) . .
O1 Na1 O3 C47 140.0(3) . .
O1 Na1 N1 C7 9.8(3) . .
O1 Na1 N1 C10 177.8(4) . .
O1 Na1 C1 Na2 62.7(3) . .
O1 Na1 C1 C2 36.5(11) . .
O1 Na1 C1 C7 -169.4(5) . .
O1 Na1 C47 Na2 -33.0(3) . 2_655
O1 Na1 C47 C48 159.0(4) . .
O1 Na1 C47 O3 -64.9(5) . .
O1 Na1 C47 C53 28.8(6) . .
O1 Na2 O2 Na1 -4.96(13) . .
O1 Na2 O2 Na3 -98.7(2) . .
O1 Na2 O2 C24 118.7(3) . .
O1 Na2 C24 O2 -62.3(3) . .
O1 Na2 C24 C30 -148.3(6) . .
O1 Na2 C24 C25 86.0(3) . .
O1 Na2 C1 Na1 -44.3(3) . .
O1 Na2 C1 C2 127.2(5) . .
O1 Na2 C1 C7 -108.5(5) . .
O1 Na2 C25 C24 -97.6(3) . .
O1 Na2 C25 C26 142.2(8) . .
O1 Na3 O2 Na1 -85.06(16) 2_655 .
O1 Na3 O2 Na2 9.3(3) 2_655 .
O1 Na3 O2 C24 147.2(3) 2_655 .
O1 Na3 O3 Na1 108.94(15) 2_655 .
O1 Na3 O3 Na2 -0.52(14) 2_655 2_655
O1 Na3 O3 C47 -129.1(4) 2_655 .
O1 Na3 N4 C34 -143.6(4) 2_655 .
O1 Na3 N4 C35 40.2(5) 2_655 .
O1 Na3 N3 C30 -98.4(4) 2_655 .
O1 Na3 N3 C33 83.3(5) 2_655 .
O1 C1 C2 C3 -177.5(5) . .
O1 C1 C7 N1 -2.3(7) . .
O1 C1 C7 C6 178.8(4) . .
C30 C24 C25 Na2 -149.3(4) . .
C30 C24 C25 C26 1.1(7) . .
C30 N3 C33 C32 1.7(8) . .
C30 N3 C33 C34 -177.7(5) . .
C24 Na2 O2 Na1 -123.7(3) . .
C24 Na2 O2 Na3 142.6(4) . .
C24 Na2 O1 Na1 28.12(15) . .
C24 Na2 O1 Na3 143.45(14) . 2_655
C24 Na2 O1 C1 -89.6(3) . .
C24 Na2 C1 Na1 49.97(13) . .
C24 Na2 C1 O1 94.3(3) . .
C24 Na2 C1 C2 -138.5(3) . .
C24 Na2 C1 C7 -14.2(4) . .
C24 Na2 C25 C26 -120.2(9) . .
C24 C30 N3 Na3 1.1(6) . .
C24 C30 N3 C33 179.5(5) . .
C24 C30 C29 C31 178.6(5) . .
C24 C30 C29 C27 -1.9(7) . .
N1 Na1 Na2 Na1 162.17(13) . 2_655
N1 Na1 Na2 Na3 104.67(12) . 2_655
N1 Na1 Na2 O2 -109.91(17) . .
N1 Na1 Na2 O3 133.43(16) . 2_655
N1 Na1 Na2 O1 62.79(16) . .
N1 Na1 Na2 C24 -85.15(16) . .
N1 Na1 Na2 C1 34.97(16) . .
N1 Na1 Na2 N5 96(4) . 2_655
N1 Na1 Na2 C47 131.43(18) . 2_655
N1 Na1 Na2 C25 -57.79(16) . .
N1 Na1 Na3 Na1 126.9(2) . 2_655
N1 Na1 Na3 Na2 -177.6(2) . 2_655
N1 Na1 Na3 O2 43.3(2) . .
N1 Na1 Na3 O3 -134.4(3) . .
N1 Na1 Na3 O1 150.9(2) . 2_655
N1 Na1 Na3 N4 -56.2(3) . .
N1 Na1 Na3 N3 0.0(2) . .
N1 Na1 O2 Na2 76.26(16) . .
N1 Na1 O2 Na3 -154.97(14) . .
N1 Na1 O2 C24 -30.5(4) . .
N1 Na1 O3 Na2 -144.4(3) . 2_655
N1 Na1 O3 Na3 120.9(3) . .
N1 Na1 O3 C47 -12.0(5) . .
N1 Na1 O1 Na2 -110.60(15) . .
N1 Na1 O1 Na3 159.6(2) . 2_655
N1 Na1 O1 C1 -11.5(3) . .
N1 Na1 C1 Na2 -131.68(19) . .
N1 Na1 C1 O1 165.7(4) . .
N1 Na1 C1 C2 -157.9(12) . .
N1 Na1 C1 C7 -3.7(3) . .
N1 Na1 C47 Na2 -155.63(16) . 2_655
N1 Na1 C47 C48 36.4(4) . .
N1 Na1 C47 O3 172.5(3) . .
N1 Na1 C47 C53 -93.8(5) . .
N1 C10 C11 N2 -171.2(5) . .
C1 Na1 Na2 Na1 127.20(14) . 2_655
C1 Na1 Na2 Na3 69.70(13) . 2_655
C1 Na1 Na2 O2 -144.88(18) . .
C1 Na1 Na2 O3 98.46(17) . 2_655
C1 Na1 Na2 O1 27.82(16) . .
C1 Na1 Na2 C24 -120.12(17) . .
C1 Na1 Na2 N5 61(4) . 2_655
C1 Na1 Na2 C47 96.5(2) . 2_655
C1 Na1 Na2 C25 -92.76(17) . .
C1 Na1 Na3 Na1 50.83(15) . 2_655
C1 Na1 Na3 Na2 106.34(16) . 2_655
C1 Na1 Na3 O2 -32.75(19) . .
C1 Na1 Na3 O3 149.6(2) . .
C1 Na1 Na3 O1 74.89(19) . 2_655
C1 Na1 Na3 N4 -132.2(2) . .
C1 Na1 Na3 N3 -76.05(19) . .
C1 Na1 O2 Na2 27.41(14) . .
C1 Na1 O2 Na3 156.18(14) . .
C1 Na1 O2 C24 -79.4(4) . .
C1 Na1 O3 Na2 5.0(5) . 2_655
C1 Na1 O3 Na3 -89.7(4) . .
C1 Na1 O3 C47 137.4(4) . .
C1 Na1 O1 Na2 -99.1(4) . .
C1 Na1 O1 Na3 171.1(4) . 2_655
C1 Na1 N1 C7 4.2(3) . .
C1 Na1 N1 C10 172.1(5) . .
C1 Na1 C47 Na2 -81.4(6) . 2_655
C1 Na1 C47 C48 110.7(6) . .
C1 Na1 C47 O3 -113.2(6) . .
C1 Na1 C47 C53 -19.5(9) . .
C1 Na2 O2 Na1 -29.84(15) . .
C1 Na2 O2 Na3 -123.6(2) . .
C1 Na2 O2 C24 93.9(3) . .
C1 Na2 O1 Na1 117.8(3) . .
C1 Na2 O1 Na3 -126.9(3) . 2_655
C1 Na2 C24 O2 -89.5(3) . .
C1 Na2 C24 C30 -175.5(6) . .
C1 Na2 C24 C25 58.8(3) . .
C1 Na2 C25 C24 -121.4(3) . .
C1 Na2 C25 C26 118.4(8) . .
C1 C2 C3 C4 -2.3(9) . .
C2 C1 C7 N1 176.5(5) . .
C2 C1 C7 C6 -2.4(7) . .
C31 C32 C33 N3 -2.8(9) . .
C31 C32 C33 C34 176.5(5) . .
N4 Na3 O2 Na1 135.40(18) . .
N4 Na3 O2 Na2 -130.2(2) . .
N4 Na3 O2 C24 7.6(4) . .
N4 Na3 O3 Na1 -142.21(15) . .
N4 Na3 O3 Na2 108.33(17) . 2_655
N4 Na3 O3 C47 -20.3(4) . .
N4 Na3 N3 C30 178.4(4) . .
N4 Na3 N3 C33 0.1(4) . .
N4 C34 C33 C32 179.1(6) . .
N4 C34 C33 N3 -1.5(8) . .
N5 Na2 O2 Na1 178.84(18) 2_655 .
N5 Na2 O2 Na3 85.1(3) 2_655 .
N5 Na2 O2 C24 -57.5(4) 2_655 .
N5 Na2 O1 Na1 -178.60(18) 2_655 .
N5 Na2 O1 Na3 -63.3(2) 2_655 2_655
N5 Na2 O1 C1 63.6(4) 2_655 .
N5 Na2 C24 O2 139.0(3) 2_655 .
N5 Na2 C24 C30 53.0(6) 2_655 .
N5 Na2 C24 C25 -72.7(3) 2_655 .
N5 Na2 C1 Na1 -178.21(14) 2_655 .
N5 Na2 C1 O1 -133.9(3) 2_655 .
N5 Na2 C1 C2 -6.6(4) 2_655 .
N5 Na2 C1 C7 117.6(4) 2_655 .
N5 Na2 C25 C24 119.2(3) 2_655 .
N5 Na2 C25 C26 -1.0(8) 2_655 .
N5 C53 C47 Na1 -58.5(6) . .
N5 C53 C47 Na2 0.4(4) . 2_655
N5 C53 C47 C48 179.0(5) . .
N5 C53 C47 O3 -2.4(7) . .
N5 C53 C52 C54 0.1(8) . .
N5 C53 C52 C50 179.5(5) . .
C55 C54 C52 C53 -0.1(9) . .
C55 C54 C52 C50 -179.4(6) . .
C32 C31 C29 C30 2.4(8) . .
C32 C31 C29 C27 -177.0(5) . .
C6 C4 C3 C2 -0.7(9) . .
C6 C8 C9 C10 1.5(9) . .
C4 C6 C8 C9 177.6(6) . .
C4 C6 C7 N1 -179.2(5) . .
C4 C6 C7 C1 -0.4(8) . .
N3 Na3 O2 Na1 133.32(16) . .
N3 Na3 O2 Na2 -132.3(2) . .
N3 Na3 O2 C24 5.6(3) . .
N3 Na3 O3 Na1 -61.0(2) . .
N3 Na3 O3 Na2 -170.42(16) . 2_655
N3 Na3 O3 C47 61.0(4) . .
N3 Na3 N4 C34 -0.8(4) . .
N3 Na3 N4 C35 -177.0(5) . .
N3 C30 C24 Na2 67.1(7) . .
N3 C30 C24 O2 4.1(7) . .
N3 C30 C24 C25 -177.1(5) . .
N3 C30 C29 C31 -3.6(7) . .
N3 C30 C29 C27 175.9(5) . .
C49 C48 C47 Na1 -142.2(5) . .
C49 C48 C47 Na2 177.4(9) . 2_655
C49 C48 C47 O3 -176.8(5) . .
C49 C48 C47 C53 1.9(8) . .
C49 C50 C52 C54 -179.4(6) . .
C49 C50 C52 C53 1.3(9) . .
C34 N4 C35 C40 92.5(7) . .
C34 N4 C35 C36 -93.3(6) . .
C53 N5 C56 C55 0.7(7) . .
C53 N5 C56 C57 -178.9(4) . .
C8 C6 C4 C3 -175.6(5) . .
C8 C6 C4 C5 6.8(9) . .
C8 C6 C7 N1 -1.5(7) . .
C8 C6 C7 C1 177.3(5) . .
C8 C9 C10 N1 -1.5(8) . .
C8 C9 C10 C11 -179.8(5) . .
C58 N6 C57 C56 177.1(5) . .
C58 C59 C60 C61 -0.1(8) . .
C58 C59 C67 C68 -85.4(7) . .
C58 C59 C67 C69 149.8(5) . .
N6 C58 C59 C60 175.3(5) . .
N6 C58 C59 C67 -7.4(7) . .
N6 C58 C63 C64 -2.2(8) . .
N6 C58 C63 C62 -175.9(5) . .
N6 C57 C56 N5 177.4(5) . .
N6 C57 C56 C55 -2.2(8) . .
N2 C12 C13 C14 173.3(5) . .
N2 C12 C13 C21 -6.9(8) . .
C59 C58 N6 C57 111.3(6) . .
C59 C58 C63 C64 171.4(5) . .
C59 C58 C63 C62 -2.4(8) . .
C59 C60 C61 C62 -0.6(9) . .
C9 C10 C11 N2 7.3(8) . .
C47 Na1 Na2 Na1 -37.52(17) . 2_655
C47 Na1 Na2 Na3 -95.03(19) . 2_655
C47 Na1 Na2 O2 50.4(2) . .
C47 Na1 Na2 O3 -66.3(2) . 2_655
C47 Na1 Na2 O1 -136.9(2) . .
C47 Na1 Na2 C24 75.2(2) . .
C47 Na1 Na2 C1 -164.7(2) . .
C47 Na1 Na2 N5 -103(4) . 2_655
C47 Na1 Na2 C47 -68.3(3) . 2_655
C47 Na1 Na2 C25 102.5(2) . .
C47 Na1 Na3 Na1 -117.93(13) . 2_655
C47 Na1 Na3 Na2 -62.42(12) . 2_655
C47 Na1 Na3 O2 158.49(17) . .
C47 Na1 Na3 O3 -19.16(16) . .
C47 Na1 Na3 O1 -93.87(16) . 2_655
C47 Na1 Na3 N4 59.1(2) . .
C47 Na1 Na3 N3 115.19(16) . .
C47 Na1 O2 Na2 -148.23(14) . .
C47 Na1 O2 Na3 -19.46(15) . .
C47 Na1 O2 C24 105.0(4) . .
C47 Na1 O3 Na2 -132.4(4) . 2_655
C47 Na1 O3 Na3 132.9(4) . .
C47 Na1 O1 Na2 114.3(3) . .
C47 Na1 O1 Na3 24.5(4) . 2_655
C47 Na1 O1 C1 -146.6(4) . .
C47 Na1 N1 C7 163.7(3) . .
C47 Na1 N1 C10 -28.3(5) . .
C47 Na1 C1 Na2 141.2(5) . .
C47 Na1 C1 O1 78.6(7) . .
C47 Na1 C1 C2 115.0(12) . .
C47 Na1 C1 C7 -90.8(6) . .
C47 Na2 O2 Na1 102.5(2) 2_655 .
C47 Na2 O2 Na3 8.7(3) 2_655 .
C47 Na2 O2 C24 -133.8(3) 2_655 .
C47 Na2 O1 Na1 -130.63(14) 2_655 .
C47 Na2 O1 Na3 -15.29(16) 2_655 2_655
C47 Na2 O1 C1 111.6(3) 2_655 .
C47 Na2 C24 O2 76.0(4) 2_655 .
C47 Na2 C24 C30 -10.1(7) 2_655 .
C47 Na2 C24 C25 -135.8(3) 2_655 .
C47 Na2 C1 Na1 -121.77(14) 2_655 .
C47 Na2 C1 O1 -77.4(3) 2_655 .
C47 Na2 C1 C2 49.8(4) 2_655 .
C47 Na2 C1 C7 174.1(4) 2_655 .
C47 Na2 C25 C24 98.5(5) 2_655 .
C47 Na2 C25 C26 -21.7(11) 2_655 .
C47 C48 C49 C50 -1.5(10) . .
C47 C53 C52 C54 179.9(5) . .
C47 C53 C52 C50 -0.8(8) . .
C60 C59 C67 C68 91.7(7) . .
C60 C59 C67 C69 -33.1(8) . .
C27 C26 C25 Na2 105.6(8) . .
C27 C26 C25 C24 -2.2(9) . .
C36 C37 C38 C39 0.5(10) . .
C56 N5 C53 C47 179.8(4) . .
C56 N5 C53 C52 -0.4(7) . .
C29 C30 C24 Na2 -115.0(6) . .
C29 C30 C24 O2 -178.0(4) . .
C29 C30 C24 C25 0.8(7) . .
C29 C30 N3 Na3 -176.8(4) . .
C29 C30 N3 C33 1.6(7) . .
C29 C31 C32 C33 0.5(9) . .
C29 C27 C26 C25 1.1(8) . .
C35 N4 C34 C33 178.2(5) . .
C35 C36 C44 C45 98.9(8) . .
C35 C36 C44 C46 -135.1(6) . .
C17 C12 C13 C14 -0.4(8) . .
C17 C12 C13 C21 179.4(6) . .
C7 N1 C10 C9 -0.1(7) . .
C7 N1 C10 C11 178.3(4) . .
C7 C1 C2 C3 3.7(8) . .
C7 C6 C4 C3 1.9(8) . .
C7 C6 C4 C5 -175.7(5) . .
C7 C6 C8 C9 -0.1(8) . .
C10 N1 C7 C1 -177.2(4) . .
C10 N1 C7 C6 1.6(7) . .
C11 N2 C12 C17 -88.7(7) . .
C11 N2 C12 C13 97.5(6) . .
C26 C27 C29 C30 0.9(8) . .
C26 C27 C29 C31 -179.6(5) . .
C52 C54 C55 C56 0.3(9) . .
C52 C53 C47 Na1 121.8(5) . .
C52 C53 C47 Na2 -179.4(5) . 2_655
C52 C53 C47 C48 -0.8(7) . .
C52 C53 C47 O3 177.8(5) . .
C25 Na2 O2 Na1 -105.69(19) . .
C25 Na2 O2 Na3 160.6(3) . .
C25 Na2 O2 C24 18.0(3) . .
C25 Na2 O1 Na1 55.48(15) . .
C25 Na2 O1 Na3 170.81(14) . 2_655
C25 Na2 O1 C1 -62.3(3) . .
C25 Na2 C24 O2 -148.2(5) . .
C25 Na2 C24 C30 125.7(7) . .
C25 Na2 C1 Na1 73.21(13) . .
C25 Na2 C1 O1 117.5(3) . .
C25 Na2 C1 C2 -115.2(3) . .
C25 Na2 C1 C7 9.0(4) . .
C42 C41 C40 C39 -33.8(9) . .
C42 C41 C40 C35 146.6(6) . .
C61 C62 C63 C64 -172.2(6) . .
C61 C62 C63 C58 1.7(8) . .
C63 C58 N6 C57 -74.8(7) . .
C63 C58 C59 C60 1.6(8) . .
C63 C58 C59 C67 178.9(5) . .
C63 C62 C61 C60 -0.2(9) . .
C51 C50 C52 C54 -0.4(10) . .
C51 C50 C52 C53 -179.7(6) . .
C12 N2 C11 C10 179.7(5) . .
C12 C17 C18 C20 148.8(6) . .
C12 C17 C18 C19 -86.5(8) . .
C12 C17 C16 C15 0.0(9) . .
C28 C27 C29 C30 -177.3(5) . .
C28 C27 C29 C31 2.2(9) . .
C28 C27 C26 C25 179.3(5) . .
C5 C4 C3 C2 176.9(5) . .
C44 C36 C35 C40 175.0(5) . .
C44 C36 C35 N4 1.1(8) . .
C18 C17 C12 N2 10.3(8) . .
C18 C17 C12 C13 -176.2(5) . .
C18 C17 C16 C15 177.1(6) . .
C16 C15 C14 C13 2.2(10) . .
C16 C17 C12 N2 -172.6(5) . .
C16 C17 C12 C13 1.0(8) . .
C16 C17 C18 C20 -28.3(9) . .
C16 C17 C18 C19 96.4(8) . .
C67 C59 C60 C61 -177.3(5) . .
C43 C41 C40 C39 91.2(7) . .
C43 C41 C40 C35 -88.4(7) . .
C102 C103 C104 C105 -1.8(17) . .
C103 C102 C101 C100 -178.0(10) . .
C103 C102 C101 C106 0.9(14) . .
C103 C104 C105 C106 1.8(19) . .
C105 C106 C101 C100 178.0(10) . .
C105 C106 C101 C102 -1.0(15) . .
C101 C106 C105 C104 -0.3(18) . .
C101 C102 C103 C104 0.5(16) . .
