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#$Date: 2016-03-25 14:58:18 +0100 (vie 25 de mar de 2016) $
#$Revision: 179945 $
#$URL: svn://www.crystallography.net/cod/cif/7/02/40/7024041.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_7024041
loop_
_publ_author_name
'Gomes, Clara S. B.'
'Suresh, D.'
'Gomes, Pedro T.'
'Veiros, Luis F.'
'Duarte, M. Teresa'
'Nunes, Teresa G.'
'Oliveira, M Conceição'
_publ_section_title
;
 Sodium complexes containing 2-iminopyrrolyl ligands: the influence of
 steric hindrance in the formation of coordination polymers.
;
_journal_issue                   3
_journal_name_full
'Dalton transactions (Cambridge, England : 2003)'
_journal_page_first              736
_journal_page_last               748
_journal_paper_doi               10.1039/b905948b
_journal_volume                  39
_journal_year                    2010
_chemical_formula_moiety         'C42 H62 N4 Na2 O2'
_chemical_formula_sum            'C42 H62 N4 Na2 O2'
_chemical_formula_weight         700.94
_space_group_IT_number           14
_symmetry_cell_setting           monoclinic
_symmetry_Int_Tables_number      14
_symmetry_space_group_name_Hall  '-P 2yn'
_symmetry_space_group_name_H-M   'P 1 21/n 1'
_atom_sites_solution_hydrogens   geom
_atom_sites_solution_primary     direct
_atom_sites_solution_secondary   difmap
_audit_creation_method           SHELXL-97
_cell_angle_alpha                90.00
_cell_angle_beta                 95.563(16)
_cell_angle_gamma                90.00
_cell_formula_units_Z            2
_cell_length_a                   11.704(6)
_cell_length_b                   10.390(4)
_cell_length_c                   17.231(7)
_cell_measurement_reflns_used    3703
_cell_measurement_temperature    150(2)
_cell_measurement_theta_max      25.14
_cell_measurement_theta_min      2.81
_cell_volume                     2085.5(16)
_computing_cell_refinement       'BRUKER SMART'
_computing_data_collection       'BRUKER SMART'
_computing_data_reduction        'BRUKER SAINT'
_computing_molecular_graphics    ORTEP
_computing_publication_material  enCIFer
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 1997)'
_computing_structure_solution    SIR2004
_diffrn_ambient_temperature      150(2)
_diffrn_measured_fraction_theta_full 0.994
_diffrn_measured_fraction_theta_max 0.994
_diffrn_measurement_device_type  'CCD Area Detector'
_diffrn_measurement_method       'phi and omega scans'
_diffrn_radiation_monochromator  graphite
_diffrn_radiation_probe          x-ray
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_reflns_av_R_equivalents  0.1586
_diffrn_reflns_av_sigmaI/netI    0.1332
_diffrn_reflns_limit_h_max       13
_diffrn_reflns_limit_h_min       -13
_diffrn_reflns_limit_k_max       11
_diffrn_reflns_limit_k_min       -12
_diffrn_reflns_limit_l_max       20
_diffrn_reflns_limit_l_min       -20
_diffrn_reflns_number            27062
_diffrn_reflns_theta_full        25.14
_diffrn_reflns_theta_max         25.14
_diffrn_reflns_theta_min         2.81
_diffrn_source                   'fine-focus sealed tube'
_exptl_absorpt_coefficient_mu    0.086
_exptl_absorpt_correction_T_max  0.9983
_exptl_absorpt_correction_T_min  0.9631
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   'SADABS (Sheldrick, 1996)'
_exptl_crystal_colour            'pale pink'
_exptl_crystal_density_diffrn    1.116
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       plate
_exptl_crystal_F_000             760
_exptl_crystal_size_max          0.44
_exptl_crystal_size_mid          0.10
_exptl_crystal_size_min          0.02
_refine_diff_density_max         0.247
_refine_diff_density_min         -0.225
_refine_diff_density_rms         0.057
_refine_ls_extinction_coef       0.0090(15)
_refine_ls_extinction_expression Fc^*^=kFc[1+0.001xFc²λ³/sin(2θ)]^-1/4^
_refine_ls_extinction_method     SHELXL
_refine_ls_goodness_of_fit_ref   0.978
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     227
_refine_ls_number_reflns         3703
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      0.978
_refine_ls_R_factor_all          0.1655
_refine_ls_R_factor_gt           0.0566
_refine_ls_shift/su_max          0.006
_refine_ls_shift/su_mean         0.001
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'calc w=1/[σ²(Fo²)+(0.0571P)²+0.8197P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1133
_refine_ls_wR_factor_ref         0.1539
_reflns_number_gt                1758
_reflns_number_total             3703
_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            b905948b.txt
_cod_data_source_block           Compound_4
_cod_original_sg_symbol_H-M      'P 21/n'
_cod_database_code               7024041
loop_
_symmetry_equiv_pos_as_xyz
'x, y, z'
'-x+1/2, y+1/2, -z+1/2'
'-x, -y, -z'
'x-1/2, -y-1/2, z-1/2'
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
C2 C 0.9995(3) 0.7934(3) 0.89494(19) 0.0201(8) Uani 1 1 d .
C5 C 1.1751(3) 0.8152(3) 0.9438(2) 0.0286(9) Uani 1 1 d .
H5 H 1.2400 0.8421 0.9749 0.034 Uiso 1 1 calc R
C8 C 0.6534(3) 0.9957(3) 0.87995(19) 0.0252(9) Uani 1 1 d .
C6 C 0.8781(3) 0.8099(3) 0.8869(2) 0.0232(8) Uani 1 1 d .
H6 H 0.8359 0.7687 0.8456 0.028 Uiso 1 1 calc R
C3 C 1.0657(3) 0.7134(3) 0.8522(2) 0.0290(9) Uani 1 1 d .
H3 H 1.0395 0.6612 0.8104 0.035 Uiso 1 1 calc R
C12 C 0.6327(3) 0.7932(3) 0.9500(2) 0.0295(9) Uani 1 1 d .
C4 C 1.1778(3) 0.7267(3) 0.8842(2) 0.0325(10) Uani 1 1 d .
H4 H 1.2420 0.6848 0.8687 0.039 Uiso 1 1 calc R
C13 C 0.7304(3) 1.0986(3) 0.85002(19) 0.0254(9) Uani 1 1 d .
H13 H 0.8009 1.1012 0.8857 0.030 Uiso 1 1 calc R
C7 C 0.7018(3) 0.8873(3) 0.91979(19) 0.0241(9) Uani 1 1 d .
C9 C 0.5348(3) 1.0055(3) 0.8699(2) 0.0326(9) Uani 1 1 d .
H9 H 0.5010 1.0762 0.8437 0.039 Uiso 1 1 calc R
C11 C 0.5147(3) 0.8082(4) 0.9379(2) 0.0340(10) Uani 1 1 d .
H11 H 0.4673 0.7466 0.9574 0.041 Uiso 1 1 calc R
C15 C 0.7646(3) 1.0630(3) 0.7695(2) 0.0372(10) Uani 1 1 d .
H15A H 0.8136 1.1288 0.7518 0.056 Uiso 1 1 calc R
H15B H 0.6969 1.0556 0.7335 0.056 Uiso 1 1 calc R
H15C H 0.8048 0.9824 0.7725 0.056 Uiso 1 1 calc R
C10 C 0.4660(3) 0.9121(4) 0.8980(2) 0.0368(10) Uani 1 1 d .
H10 H 0.3865 0.9194 0.8898 0.044 Uiso 1 1 calc R
C20 C 0.8954(4) 0.8192(4) 1.2288(2) 0.0512(12) Uani 1 1 d .
H20A H 0.9556 0.8173 1.2717 0.061 Uiso 1 1 calc R
H20B H 0.8347 0.7613 1.2411 0.061 Uiso 1 1 calc R
C21 C 0.9806(4) 0.6492(4) 1.1642(2) 0.0477(12) Uani 1 1 d .
H21A H 0.9193 0.5926 1.1770 0.057 Uiso 1 1 calc R
H21B H 1.0432 0.6423 1.2052 0.057 Uiso 1 1 calc R
C22 C 1.0210(3) 0.6096(4) 1.0880(2) 0.0452(11) Uani 1 1 d .
H22A H 1.0487 0.5226 1.0917 0.068 Uiso 1 1 calc R
H22B H 1.0819 0.6657 1.0756 0.068 Uiso 1 1 calc R
H22C H 0.9585 0.6152 1.0477 0.068 Uiso 1 1 calc R
C14 C 0.6782(3) 1.2335(3) 0.8485(2) 0.0383(10) Uani 1 1 d .
H14A H 0.7311 1.2937 0.8294 0.057 Uiso 1 1 calc R
H14B H 0.6629 1.2576 0.9003 0.057 Uiso 1 1 calc R
H14C H 0.6079 1.2340 0.8148 0.057 Uiso 1 1 calc R
C16 C 0.6838(3) 0.6793(3) 0.9961(2) 0.0371(10) Uani 1 1 d .
H16 H 0.7670 0.6930 1.0036 0.045 Uiso 1 1 calc R
C18 C 0.6421(4) 0.6697(4) 1.0767(2) 0.0614(14) Uani 1 1 d .
H18A H 0.6778 0.5974 1.1039 0.092 Uiso 1 1 calc R
H18B H 0.5603 0.6587 1.0717 0.092 Uiso 1 1 calc R
H18C H 0.6618 0.7471 1.1053 0.092 Uiso 1 1 calc R
N2 N 0.8234(2) 0.8785(2) 0.93345(16) 0.0235(7) Uani 1 1 d .
N1 N 1.0679(2) 0.8585(2) 0.95217(16) 0.0227(7) Uani 1 1 d .
O1 O 0.9400(2) 0.7790(2) 1.15897(14) 0.0370(7) Uani 1 1 d .
Na1 Na 0.94749(12) 0.91091(12) 1.05315(7) 0.0283(4) Uani 1 1 d .
C17 C 0.6642(4) 0.5535(4) 0.9523(3) 0.0687(15) Uani 1 1 d .
H17A H 0.6990 0.4845 0.9832 0.103 Uiso 1 1 calc R
H17B H 0.6979 0.5583 0.9038 0.103 Uiso 1 1 calc R
H17C H 0.5832 0.5381 0.9423 0.103 Uiso 1 1 calc R
C19 C 0.8491(5) 0.9536(4) 1.2180(3) 0.0834(19) Uani 1 1 d .
H19A H 0.8188 0.9814 1.2651 0.125 Uiso 1 1 calc R
H19B H 0.7891 0.9547 1.1759 0.125 Uiso 1 1 calc R
H19C H 0.9097 1.0105 1.2063 0.125 Uiso 1 1 calc R
loop_
_atom_type_symbol
_atom_type_description
_atom_type_scat_dispersion_real
_atom_type_scat_dispersion_imag
_atom_type_scat_source
C C 0.0033 0.0016 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
H H 0.0000 0.0000 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
N N 0.0061 0.0033 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
O O 0.0106 0.0060 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
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
N1 C2 C3 110.7(3) . .
N1 C2 C6 120.9(3) . .
C3 C2 C6 128.3(3) . .
N1 C2 Na1 48.01(16) . .
C3 C2 Na1 149.9(2) . .
C6 C2 Na1 76.11(19) . .
N1 C5 C4 112.9(3) . .
N1 C5 H5 123.5 . .
C4 C5 H5 123.5 . .
C9 C8 C7 118.0(3) . .
C9 C8 C13 121.7(3) . .
C7 C8 C13 120.3(3) . .
N2 C6 C2 123.8(3) . .
N2 C6 Na1 48.37(17) . .
C2 C6 Na1 77.28(19) . .
N2 C6 H6 118.1 . .
C2 C6 H6 118.1 . .
Na1 C6 H6 159.9 . .
C4 C3 C2 106.6(3) . .
C4 C3 H3 126.7 . .
C2 C3 H3 126.7 . .
C11 C12 C7 118.0(3) . .
C11 C12 C16 120.2(3) . .
C7 C12 C16 121.8(3) . .
C3 C4 C5 105.9(3) . .
C3 C4 H4 127.1 . .
C5 C4 H4 127.1 . .
C8 C13 C15 110.8(3) . .
C8 C13 C14 113.7(3) . .
C15 C13 C14 110.3(3) . .
C8 C13 H13 107.3 . .
C15 C13 H13 107.3 . .
C14 C13 H13 107.3 . .
C12 C7 C8 121.3(3) . .
C12 C7 N2 119.9(3) . .
C8 C7 N2 118.7(3) . .
C10 C9 C8 121.1(3) . .
C10 C9 H9 119.5 . .
C8 C9 H9 119.5 . .
C10 C11 C12 121.5(3) . .
C10 C11 H11 119.3 . .
C12 C11 H11 119.3 . .
C13 C15 H15A 109.5 . .
C13 C15 H15B 109.5 . .
H15A C15 H15B 109.5 . .
C13 C15 H15C 109.5 . .
H15A C15 H15C 109.5 . .
H15B C15 H15C 109.5 . .
C11 C10 C9 120.1(4) . .
C11 C10 H10 120.0 . .
C9 C10 H10 120.0 . .
O1 C20 C19 109.1(3) . .
O1 C20 H20A 109.9 . .
C19 C20 H20A 109.9 . .
O1 C20 H20B 109.9 . .
C19 C20 H20B 109.9 . .
H20A C20 H20B 108.3 . .
O1 C21 C22 109.6(3) . .
O1 C21 H21A 109.7 . .
C22 C21 H21A 109.7 . .
O1 C21 H21B 109.7 . .
C22 C21 H21B 109.7 . .
H21A C21 H21B 108.2 . .
C21 C22 H22A 109.5 . .
C21 C22 H22B 109.5 . .
H22A C22 H22B 109.5 . .
C21 C22 H22C 109.5 . .
H22A C22 H22C 109.5 . .
H22B C22 H22C 109.5 . .
C13 C14 H14A 109.5 . .
C13 C14 H14B 109.5 . .
H14A C14 H14B 109.5 . .
C13 C14 H14C 109.5 . .
H14A C14 H14C 109.5 . .
H14B C14 H14C 109.5 . .
C17 C16 C18 110.6(3) . .
C17 C16 C12 112.3(3) . .
C18 C16 C12 112.6(3) . .
C17 C16 H16 107.0 . .
C18 C16 H16 107.0 . .
C12 C16 H16 107.0 . .
C16 C18 H18A 109.5 . .
C16 C18 H18B 109.5 . .
H18A C18 H18B 109.5 . .
C16 C18 H18C 109.5 . .
H18A C18 H18C 109.5 . .
H18B C18 H18C 109.5 . .
C6 N2 C7 118.8(3) . .
C6 N2 Na1 108.2(2) . .
C7 N2 Na1 129.6(2) . .
C5 N1 C2 103.8(3) . .
C5 N1 Na1 113.2(2) . 3_777
C2 N1 Na1 115.0(2) . 3_777
C5 N1 Na1 140.1(2) . .
C2 N1 Na1 106.6(2) . .
Na1 N1 Na1 75.82(9) 3_777 .
C20 O1 C21 111.8(3) . .
C20 O1 Na1 122.9(2) . .
C21 O1 Na1 125.2(2) . .
O1 Na1 N1 128.22(11) . 3_777
O1 Na1 N1 120.71(10) . .
N1 Na1 N1 104.18(9) 3_777 .
O1 Na1 N2 121.83(11) . .
N1 Na1 N2 93.98(10) 3_777 .
N1 Na1 N2 72.45(11) . .
O1 Na1 Na1 156.80(11) . 3_777
N1 Na1 Na1 52.12(8) 3_777 3_777
N1 Na1 Na1 52.06(7) . 3_777
N2 Na1 Na1 79.10(9) . 3_777
O1 Na1 C6 120.59(10) . .
N1 Na1 C6 106.96(10) 3_777 .
N1 Na1 C6 51.03(10) . .
N2 Na1 C6 23.39(9) . .
Na1 Na1 C6 74.06(8) 3_777 .
O1 Na1 C2 119.36(10) . .
N1 Na1 C2 112.28(10) 3_777 .
N1 Na1 C2 25.34(9) . .
N2 Na1 C2 49.52(9) . .
Na1 Na1 C2 64.70(8) 3_777 .
C6 Na1 C2 26.61(9) . .
C16 C17 H17A 109.5 . .
C16 C17 H17B 109.5 . .
H17A C17 H17B 109.5 . .
C16 C17 H17C 109.5 . .
H17A C17 H17C 109.5 . .
H17B C17 H17C 109.5 . .
C20 C19 H19A 109.5 . .
C20 C19 H19B 109.5 . .
H19A C19 H19B 109.5 . .
C20 C19 H19C 109.5 . .
H19A C19 H19C 109.5 . .
H19B C19 H19C 109.5 . .
loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_site_symmetry_2
C2 N1 1.385(4) .
C2 C3 1.395(4) .
C2 C6 1.424(5) .
C2 Na1 3.101(4) .
C5 N1 1.354(4) .
C5 C4 1.381(5) .
C5 H5 0.9300 .
C8 C9 1.386(5) .
C8 C7 1.409(5) .
C8 C13 1.520(5) .
C6 N2 1.290(4) .
C6 Na1 3.086(4) .
C6 H6 0.9300 .
C3 C4 1.379(5) .
C3 H3 0.9300 .
C12 C11 1.386(5) .
C12 C7 1.400(5) .
C12 C16 1.516(5) .
C4 H4 0.9300 .
C13 C15 1.527(5) .
C13 C14 1.528(4) .
C13 H13 0.9800 .
C7 N2 1.423(4) .
C9 C10 1.379(5) .
C9 H9 0.9300 .
C11 C10 1.374(5) .
C11 H11 0.9300 .
C15 H15A 0.9600 .
C15 H15B 0.9600 .
C15 H15C 0.9600 .
C10 H10 0.9300 .
C20 O1 1.420(4) .
C20 C19 1.503(5) .
C20 H20A 0.9700 .
C20 H20B 0.9700 .
C21 O1 1.429(4) .
C21 C22 1.496(5) .
C21 H21A 0.9700 .
C21 H21B 0.9700 .
C22 H22A 0.9600 .
C22 H22B 0.9600 .
C22 H22C 0.9600 .
C14 H14A 0.9600 .
C14 H14B 0.9600 .
C14 H14C 0.9600 .
C16 C17 1.514(5) .
C16 C18 1.519(5) .
C16 H16 0.9800 .
C18 H18A 0.9600 .
C18 H18B 0.9600 .
C18 H18C 0.9600 .
N2 Na1 2.428(3) .
N1 Na1 2.404(3) 3_777
N1 Na1 2.405(3) .
O1 Na1 2.290(3) .
Na1 N1 2.404(3) 3_777
Na1 Na1 2.955(3) 3_777
C17 H17A 0.9600 .
C17 H17B 0.9600 .
C17 H17C 0.9600 .
C19 H19A 0.9600 .
C19 H19B 0.9600 .
C19 H19C 0.9600 .
loop_
_geom_torsion_atom_site_label_1
_geom_torsion_atom_site_label_2
_geom_torsion_atom_site_label_3
_geom_torsion_atom_site_label_4
_geom_torsion
_geom_torsion_site_symmetry_1
_geom_torsion_site_symmetry_4
N1 C2 C6 N2 -4.1(5) . .
C3 C2 C6 N2 174.0(3) . .
Na1 C2 C6 N2 13.9(3) . .
N1 C2 C6 Na1 -18.0(3) . .
C3 C2 C6 Na1 160.1(3) . .
N1 C2 C3 C4 1.0(4) . .
C6 C2 C3 C4 -177.2(3) . .
Na1 C2 C3 C4 -38.3(6) . .
C2 C3 C4 C5 -0.8(4) . .
N1 C5 C4 C3 0.4(4) . .
C9 C8 C13 C15 -94.7(4) . .
C7 C8 C13 C15 85.9(4) . .
C9 C8 C13 C14 30.1(5) . .
C7 C8 C13 C14 -149.3(3) . .
C11 C12 C7 C8 1.5(5) . .
C16 C12 C7 C8 -177.2(3) . .
C11 C12 C7 N2 177.5(3) . .
C16 C12 C7 N2 -1.2(5) . .
C9 C8 C7 C12 -1.4(5) . .
C13 C8 C7 C12 178.0(3) . .
C9 C8 C7 N2 -177.4(3) . .
C13 C8 C7 N2 2.0(5) . .
C7 C8 C9 C10 0.1(5) . .
C13 C8 C9 C10 -179.4(3) . .
C7 C12 C11 C10 -0.2(5) . .
C16 C12 C11 C10 178.5(3) . .
C12 C11 C10 C9 -1.1(6) . .
C8 C9 C10 C11 1.2(6) . .
C11 C12 C16 C17 70.3(5) . .
C7 C12 C16 C17 -111.0(4) . .
C11 C12 C16 C18 -55.4(5) . .
C7 C12 C16 C18 123.3(4) . .
C2 C6 N2 C7 -179.7(3) . .
Na1 C6 N2 C7 -161.4(3) . .
C2 C6 N2 Na1 -18.2(4) . .
C12 C7 N2 C6 85.8(4) . .
C8 C7 N2 C6 -98.1(4) . .
C12 C7 N2 Na1 -71.0(4) . .
C8 C7 N2 Na1 105.1(3) . .
C4 C5 N1 C2 0.2(4) . .
C4 C5 N1 Na1 -125.2(3) . 3_777
C4 C5 N1 Na1 139.2(3) . .
C3 C2 N1 C5 -0.8(3) . .
C6 C2 N1 C5 177.6(3) . .
Na1 C2 N1 C5 153.9(3) . .
C3 C2 N1 Na1 123.5(2) . 3_777
C6 C2 N1 Na1 -58.1(3) . 3_777
Na1 C2 N1 Na1 -81.80(18) . 3_777
C3 C2 N1 Na1 -154.7(2) . .
C6 C2 N1 Na1 23.7(3) . .
C19 C20 O1 C21 -177.2(4) . .
C19 C20 O1 Na1 3.9(5) . .
C22 C21 O1 C20 177.2(4) . .
C22 C21 O1 Na1 -4.0(5) . .
C20 O1 Na1 N1 17.1(3) . 3_777
C21 O1 Na1 N1 -161.6(3) . 3_777
C20 O1 Na1 N1 163.3(3) . .
C21 O1 Na1 N1 -15.4(3) . .
C20 O1 Na1 N2 -109.2(3) . .
C21 O1 Na1 N2 72.0(3) . .
C20 O1 Na1 Na1 98.7(4) . 3_777
C21 O1 Na1 Na1 -80.0(4) . 3_777
C20 O1 Na1 C6 -136.6(3) . .
C21 O1 Na1 C6 44.7(3) . .
C20 O1 Na1 C2 -167.4(3) . .
C21 O1 Na1 C2 13.9(3) . .
C5 N1 Na1 O1 -43.8(4) . .
C2 N1 Na1 O1 94.5(2) . .
Na1 N1 Na1 O1 -153.18(13) 3_777 .
C5 N1 Na1 N1 109.4(4) . 3_777
C2 N1 Na1 N1 -112.3(2) . 3_777
Na1 N1 Na1 N1 0.0 3_777 3_777
C5 N1 Na1 N2 -160.9(3) . .
C2 N1 Na1 N2 -22.63(19) . .
Na1 N1 Na1 N2 89.72(10) 3_777 .
C5 N1 Na1 Na1 109.4(3) . 3_777
C2 N1 Na1 Na1 -112.3(2) . 3_777
C5 N1 Na1 C6 -150.1(4) . .
C2 N1 Na1 C6 -11.83(17) . .
Na1 N1 Na1 C6 100.52(12) 3_777 .
C5 N1 Na1 C2 -138.3(4) . .
Na1 N1 Na1 C2 112.3(2) 3_777 .
C6 N2 Na1 O1 -94.2(2) . .
C7 N2 Na1 O1 64.5(3) . .
C6 N2 Na1 N1 125.2(2) . 3_777
C7 N2 Na1 N1 -76.1(3) . 3_777
C6 N2 Na1 N1 21.5(2) . .
C7 N2 Na1 N1 -179.7(3) . .
C6 N2 Na1 Na1 75.0(2) . 3_777
C7 N2 Na1 Na1 -126.3(3) . 3_777
C7 N2 Na1 C6 158.8(4) . .
C6 N2 Na1 C2 9.02(19) . .
C7 N2 Na1 C2 167.8(3) . .
N2 C6 Na1 O1 100.2(2) . .
C2 C6 Na1 O1 -95.26(19) . .
N2 C6 Na1 N1 -58.5(2) . 3_777
C2 C6 Na1 N1 106.05(18) . 3_777
N2 C6 Na1 N1 -153.3(2) . .
C2 C6 Na1 N1 11.29(16) . .
C2 C6 Na1 N2 164.6(3) . .
N2 C6 Na1 Na1 -99.5(2) . 3_777
C2 C6 Na1 Na1 65.04(17) . 3_777
N2 C6 Na1 C2 -164.6(3) . .
N1 C2 Na1 O1 -100.4(2) . .
C3 C2 Na1 O1 -47.5(5) . .
C6 C2 Na1 O1 100.40(19) . .
N1 C2 Na1 N1 75.7(2) . 3_777
C3 C2 Na1 N1 128.7(5) . 3_777
C6 C2 Na1 N1 -83.44(19) . 3_777
C3 C2 Na1 N1 52.9(5) . .
C6 C2 Na1 N1 -159.2(3) . .
N1 C2 Na1 N2 151.2(2) . .
C3 C2 Na1 N2 -155.9(5) . .
C6 C2 Na1 N2 -7.99(16) . .
N1 C2 Na1 Na1 53.79(18) . 3_777
C3 C2 Na1 Na1 106.7(5) . 3_777
C6 C2 Na1 Na1 -105.37(18) . 3_777
N1 C2 Na1 C6 159.2(3) . .
C3 C2 Na1 C6 -147.9(6) . .
