#------------------------------------------------------------------------------
#$Date: 2021-03-14 01:38:10 +0200 (Sun, 14 Mar 2021) $
#$Revision: 263029 $
#$URL: file:///home/coder/svn-repositories/cod/cif/4/35/07/4350792.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_4350792
loop_
_publ_author_name
'Samii, Rouzbeh'
'Zanders, David'
'Buttera, Sydney C.'
'Kessler, Vadim'
'Ojamäe, Lars'
'Pedersen, Henrik'
'O'Brien, Nathan J'
_publ_section_title
;
 Synthesis and Thermal Study of Hexacoordinated Aluminum(III) Triazenides
 for Use in Atomic Layer Deposition.
;
_journal_name_full               'Inorganic chemistry'
_journal_paper_doi               10.1021/acs.inorgchem.0c03496
_journal_year                    2021
_chemical_formula_sum            'C18 H40.5 Al0.75 N6.75'
_chemical_formula_weight         371.80
_space_group_crystal_system      monoclinic
_space_group_IT_number           12
_space_group_name_Hall           '-C 2y'
_space_group_name_H-M_alt        'C 1 2/m 1'
_audit_creation_method           SHELXL-2018/3
_cell_angle_alpha                90
_cell_angle_beta                 94.118(2)
_cell_angle_gamma                90
_cell_formula_units_Z            8
_cell_length_a                   28.940(5)
_cell_length_b                   16.958(3)
_cell_length_c                   9.8864(17)
_cell_measurement_reflns_used    6749
_cell_measurement_temperature    153(2)
_cell_measurement_theta_max      22.56
_cell_measurement_theta_min      2.40
_cell_volume                     4839.4(15)
_computing_cell_refinement       'Bruker SAINT'
_computing_data_collection       'Bruker APEX2'
_computing_data_reduction        'Bruker SAINT'
_computing_molecular_graphics    'Bruker SHELXTL'
_computing_publication_material  'Bruker SHELXTL'
_computing_structure_refinement  'SHELXL-2018/3 (Sheldrick, 2018)'
_computing_structure_solution    'SHELXS-97 (Sheldrick, 2008)'
_diffrn_ambient_temperature      153(2)
_diffrn_measured_fraction_theta_full 0.962
_diffrn_measured_fraction_theta_max 0.962
_diffrn_measurement_device_type  'Bruker D8 SMART CCD'
_diffrn_measurement_method       'Omega scan'
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_reflns_av_R_equivalents  0.0333
_diffrn_reflns_av_unetI/netI     0.0251
_diffrn_reflns_Laue_measured_fraction_full 0.962
_diffrn_reflns_Laue_measured_fraction_max 0.962
_diffrn_reflns_limit_h_max       33
_diffrn_reflns_limit_h_min       -33
_diffrn_reflns_limit_k_max       19
_diffrn_reflns_limit_k_min       -19
_diffrn_reflns_limit_l_max       11
_diffrn_reflns_limit_l_min       -11
_diffrn_reflns_number            22200
_diffrn_reflns_point_group_measured_fraction_full 0.962
_diffrn_reflns_point_group_measured_fraction_max 0.962
_diffrn_reflns_theta_full        24.669
_diffrn_reflns_theta_max         24.669
_diffrn_reflns_theta_min         2.416
_diffrn_source                   'Sealed tube'
_exptl_absorpt_coefficient_mu    0.089
_exptl_absorpt_correction_T_max  0.984
_exptl_absorpt_correction_T_min  0.964
_exptl_absorpt_correction_type   empirical
_exptl_absorpt_process_details   'Bruker SADABS'
_exptl_crystal_colour            colorless
_exptl_crystal_density_diffrn    1.021
_exptl_crystal_density_meas      ?
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       block
_exptl_crystal_F_000             1644
_exptl_crystal_size_max          0.420
_exptl_crystal_size_mid          0.280
_exptl_crystal_size_min          0.180
_exptl_transmission_factor_max   0.984
_exptl_transmission_factor_min   0.964
_refine_diff_density_max         0.328
_refine_diff_density_min         -0.555
_refine_diff_density_rms         0.051
_refine_ls_extinction_coef       0.0018(2)
_refine_ls_extinction_expression Fc^*^=kFc[1+0.001xFc²λ³/sin(2θ)]^-1/4^
_refine_ls_extinction_method     'SHELXL-2018/3 (Sheldrick 2018)'
_refine_ls_goodness_of_fit_ref   0.813
_refine_ls_hydrogen_treatment    undef
_refine_ls_matrix_type           full
_refine_ls_number_parameters     524
_refine_ls_number_reflns         4105
_refine_ls_number_restraints     1131
_refine_ls_restrained_S_all      0.856
_refine_ls_R_factor_all          0.1464
_refine_ls_R_factor_gt           0.1238
_refine_ls_shift/su_max          0.000
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'w=1/[σ²(Fo²)+(0.0008P)²+28.0000P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.2356
_refine_ls_wR_factor_ref         0.2441
_reflns_Friedel_coverage         0.000
_reflns_number_gt                3148
_reflns_number_total             4105
_reflns_threshold_expression     'I > 2σ(I)'
_cod_data_source_file            ic0c03496_si_004.cif
_cod_data_source_block           shelx
_cod_depositor_comments
;
The following automatic conversions were performed:

data item '_exptl_absorpt_correction_type' value 'Empirical' was
changed to 'empirical' in accordance with the
/home/data/users/saulius/crontab/automatic-downloads/rss-feeds/ACS/lib/dictionaries/cif_core.dic
dictionary named 'cif_core.dic' version 2.4.2 last updated on
2011-04-26.

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

Automatic conversion script
Id: cif_fix_values 7556 2019-12-06 15:28:31Z antanas 
;
_cod_original_cell_volume        4839.4(14)
_cod_original_sg_symbol_H-M      'C 2/m'
_cod_original_formula_sum        'C18 H40.50 Al0.75 N6.75'
_cod_database_code               4350792
_shelx_shelxl_version_number     2018/3
_shelx_space_group_comment
;
The symmetry employed for this shelxl refinement is uniquely defined
by the following loop, which should always be used as a source of
symmetry information in preference to the above space-group names.
They are only intended as comments.
;
_shelx_estimated_absorpt_t_min   0.964
_shelx_estimated_absorpt_t_max   0.984
_exptl_absorpt_special_details   'Bruker SADABS'
loop_
_space_group_symop_operation_xyz
'x, y, z'
'-x, y, -z'
'x+1/2, y+1/2, z'
'-x+1/2, y+1/2, -z'
'-x, -y, -z'
'x, -y, z'
'-x+1/2, -y+1/2, -z'
'x+1/2, -y+1/2, 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_site_symmetry_order
_atom_site_calc_flag
_atom_site_refinement_flags_posn
_atom_site_refinement_flags_adp
_atom_site_refinement_flags_occupancy
_atom_site_disorder_assembly
_atom_site_disorder_group
Al1 Al 0.000000 0.000000 0.500000 0.0515(6) Uani 1 4 d S TU P . .
Al2 Al 0.83173(5) 0.500000 0.90831(14) 0.0519(5) Uani 1 2 d S TU P . .
C1 C 0.77549(19) 0.6398(3) 0.7140(6) 0.0976(14) Uani 1 1 d . U . . .
C2 C 0.9198(2) 0.500000 0.7011(8) 0.097(2) Uani 1 2 d S TU P . .
C3 C 0.8868(2) 0.6418(3) 1.1012(6) 0.1033(16) Uani 1 1 d . U . . .
C4 C 0.7441(3) 0.500000 1.1190(8) 0.108(2) Uani 1 2 d S TU P . .
N8 N 0.7889(4) 0.500000 1.0552(12) 0.081(3) Uani 0.5 2 d S TU P . .
N1 N 0.0426(12) 0.000000 0.662(3) 0.113(4) Uani 0.5 2 d S TU P . .
N2 N 0.0202(13) 0.080(2) 0.360(4) 0.132(4) Uani 0.25 1 d . U P . .
N9 N 0.8661(10) 0.5915(12) 0.9873(15) 0.073(3) Uani 0.25 1 d . U P . .
N10 N 0.8089(9) 0.5767(16) 0.768(3) 0.079(3) Uani 0.25 1 d . U P . .
C5 C 0.0716(3) 0.000000 0.7855(8) 0.130(3) Uani 1 2 d S TU P . .
N12 N 0.8903(4) 0.500000 0.8192(13) 0.088(3) Uani 0.5 2 d S TU P . .
N13 N 0.8333(5) 0.6448(8) 0.9109(14) 0.078(3) Uani 0.25 1 d . U P . .
N6 N 0.0704(6) -0.0677(15) 0.578(2) 0.127(4) Uani 0.25 1 d . U P . .
C61 C 0.0787(5) 0.1997(7) 0.4757(13) 0.267(6) Uani 1 1 d . U . . .
N14 N 0.8762(5) 0.4797(8) 0.7652(13) 0.072(3) Uani 0.25 1 d . U P . .
N16 N 0.8665(7) 0.4298(8) 1.0386(19) 0.053(3) Uani 0.25 1 d . U P . .
N17 N 0.7879(9) 0.5786(17) 0.824(3) 0.085(3) Uani 0.25 1 d . U P . .
N18 N 0.7576(5) 0.5705(9) 0.9172(16) 0.082(3) Uani 0.25 1 d . U P . .
N19 N 0.9054(4) 0.5719(8) 0.9016(14) 0.076(3) Uani 0.25 1 d . U P . .
N7 N 0.0044(7) 0.0724(10) 0.7215(15) 0.090(4) Uani 0.25 1 d . U P . .
C6 C 0.0651(3) 0.1416(5) 0.3679(8) 0.156(3) Uani 1 1 d . U . . .
N22 N 0.7753(4) 0.500000 0.7036(12) 0.098(3) Uani 0.5 2 d S TU P . .
N2A N 0.0239(14) 0.1053(18) 0.442(5) 0.134(4) Uani 0.25 1 d . U P . .
N16A N 0.8489(10) 0.412(3) 1.030(5) 0.058(5) Uani 0.125 1 d . U P . .
N20 N 0.8145(5) 0.4299(8) 1.1169(12) 0.074(3) Uani 0.25 1 d . U P . .
N2B N 0.0398(7) 0.0833(10) 0.438(2) 0.129(3) Uani 0.5 1 d . U P . .
N10A N 0.8082(10) 0.5986(11) 0.823(3) 0.081(3) Uani 0.25 1 d . U P . .
C21 C 0.9581(5) 0.5442(10) 0.7663(18) 0.163(5) Uani 0.5 1 d . U P . .
C31 C 0.9338(6) 0.6543(13) 1.044(2) 0.175(5) Uani 0.5 1 d . U P . .
N100 N 0.000000 0.1456(9) 0.500000 0.144(5) Uani 0.5 2 d S TU P . .
C62 C 0.0359(6) 0.1887(9) 0.2589(15) 0.293(6) Uani 1 1 d . U . . .
N21 N 0.8485(5) 0.5714(9) 0.6985(13) 0.083(3) Uani 0.25 1 d . U P . .
C11 C 0.7288(3) 0.6202(8) 0.6654(15) 0.219(4) Uani 1 1 d . U . . .
N10B N 0.7913(10) 0.5589(13) 0.768(3) 0.084(3) Uani 0.25 1 d . U P . .
C15 C 0.7387(7) 0.6679(14) 0.801(2) 0.185(5) Uani 0.5 1 d . U P . .
N1A N 0.0348(12) 0.0267(16) 0.675(3) 0.104(5) Uani 0.25 1 d . U P . .
N8A N 0.7742(5) 0.5220(9) 1.0045(17) 0.082(4) Uani 0.25 1 d . U P . .
C13 C 0.7802(9) 0.7166(9) 0.785(2) 0.173(5) Uani 0.5 1 d . U P . .
N20A N 0.0912(7) 0.000000 0.504(3) 0.183(5) Uani 0.5 2 d S TU P . .
N20B N 0.0714(7) 0.000000 0.365(2) 0.155(4) Uani 0.5 2 d S TU P . .
C16 C 0.8049(7) 0.6497(11) 0.5873(17) 0.158(5) Uani 0.5 1 d . U P . .
N16B N 0.8912(7) 0.500000 1.1010(19) 0.073(4) Uani 0.25 2 d S TU P . .
C42 C 0.7616(6) 0.5462(11) 1.2485(15) 0.180(6) Uani 0.5 1 d . U P . .
C22 C 0.9356(7) 0.5852(11) 0.656(2) 0.169(6) Uani 0.5 1 d . U P . .
C51 C 0.1166(5) 0.000000 0.7315(18) 0.240(6) Uani 1 2 d S TU P . .
C23 C 0.9025(6) 0.5456(11) 0.5830(16) 0.166(5) Uani 0.5 1 d . U P . .
C17 C 0.8057(7) 0.7092(10) 0.697(2) 0.170(5) Uani 0.5 1 d . U P . .
C44 C 0.7125(5) 0.5566(11) 1.0518(17) 0.156(5) Uani 0.5 1 d . U P . .
C43 C 0.7235(7) 0.5833(13) 1.155(2) 0.189(6) Uani 0.5 1 d . U P . .
C63 C 0.0821(10) 0.1205(17) 0.236(2) 0.229(7) Uani 0.5 1 d . U P . .
C33 C 0.9024(10) 0.7087(12) 1.014(2) 0.194(6) Uani 0.5 1 d . U P . .
N2C N 0.0470(14) 0.0600(19) 0.409(4) 0.124(4) Uani 0.25 1 d . U P . .
C34 C 0.8602(9) 0.7208(10) 1.069(3) 0.192(6) Uani 0.5 1 d . U P . .
C53 C 0.0765(8) 0.0623(16) 0.886(2) 0.209(7) Uani 0.5 1 d . U P . .
C54 C 0.0450(7) 0.0594(14) 0.8655(19) 0.198(6) Uani 0.5 1 d . U P . .
C32 C 0.9277(8) 0.6010(15) 1.183(2) 0.195(7) Uani 0.5 1 d . U P . .
C35 C 0.8989(9) 0.6222(15) 1.2480(17) 0.195(6) Uani 0.5 1 d . U P . .
C52 C 0.0995(15) 0.089(3) 0.785(5) 0.221(8) Uani 0.25 1 d . U P . .
C63A C 0.1083(8) 0.0961(16) 0.341(3) 0.225(6) Uani 0.5 1 d . U P . .
C36 C 0.8512(7) 0.6753(15) 1.194(2) 0.200(6) Uani 0.5 1 d . U P . .
C12 C 0.7612(9) 0.6166(15) 0.5738(19) 0.191(6) Uani 0.5 1 d . U P . .
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'
Al Al 0.0645 0.0514 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
loop_
_geom_angle_atom_site_label_1
_geom_angle_atom_site_label_2
_geom_angle_atom_site_label_3
_geom_angle
_geom_angle_site_symmetry_1
_geom_angle_site_symmetry_3
_geom_angle_publ_flag
N2C Al1 N2C 117.8(18) 5_556 6 ?
N2C Al1 N2C 62.2(18) 5_556 2_556 ?
N2C Al1 N2C 180.0(19) 6 2_556 ?
N2C Al1 N2C 180.0(16) 5_556 . ?
N2C Al1 N2C 62.2(18) 6 . ?
N2C Al1 N2C 117.8(18) 2_556 . ?
N2C Al1 N2B 15.8(10) 5_556 5_556 ?
N2C Al1 N2B 102.4(10) 6 5_556 ?
N2C Al1 N2B 77.6(10) 2_556 5_556 ?
N2C Al1 N2B 164.2(10) . 5_556 ?
N2C Al1 N2B 102.4(10) 5_556 6 ?
N2C Al1 N2B 15.8(10) 6 6 ?
N2C Al1 N2B 164.2(10) 2_556 6 ?
N2C Al1 N2B 77.6(10) . 6 ?
N2B Al1 N2B 87.2(10) 5_556 6 ?
N2C Al1 N2B 77.6(10) 5_556 2_556 ?
N2C Al1 N2B 164.2(10) 6 2_556 ?
N2C Al1 N2B 15.8(10) 2_556 2_556 ?
N2C Al1 N2B 102.4(10) . 2_556 ?
N2B Al1 N2B 92.8(10) 5_556 2_556 ?
N2B Al1 N2B 180.0(12) 6 2_556 ?
N2C Al1 N2B 164.2(10) 5_556 . ?
N2C Al1 N2B 77.6(10) 6 . ?
N2C Al1 N2B 102.4(10) 2_556 . ?
N2C Al1 N2B 15.8(10) . . ?
N2B Al1 N2B 180.0 5_556 . ?
N2B Al1 N2B 92.8(10) 6 . ?
N2B Al1 N2B 87.2(10) 2_556 . ?
N2C Al1 N1 92.3(16) 5_556 . ?
N2C Al1 N1 87.7(16) 6 . ?
N2C Al1 N1 92.3(16) 2_556 . ?
N2C Al1 N1 87.7(16) . . ?
N2B Al1 N1 95.4(11) 5_556 . ?
N2B Al1 N1 84.6(11) 6 . ?
N2B Al1 N1 95.4(11) 2_556 . ?
N2B Al1 N1 84.6(11) . . ?
N2C Al1 N1 87.7(16) 5_556 5_556 ?
N2C Al1 N1 92.3(16) 6 5_556 ?
N2C Al1 N1 87.7(16) 2_556 5_556 ?
N2C Al1 N1 92.3(16) . 5_556 ?
N2B Al1 N1 84.6(11) 5_556 5_556 ?
N2B Al1 N1 95.4(11) 6 5_556 ?
N2B Al1 N1 84.6(11) 2_556 5_556 ?
N2B Al1 N1 95.4(11) . 5_556 ?
N1 Al1 N1 180.0 . 5_556 ?
N2C Al1 N2A 86.2(14) 5_556 6 ?
N2C Al1 N2A 31.7(11) 6 6 ?
N2C Al1 N2A 148.3(11) 2_556 6 ?
N2C Al1 N2A 93.8(14) . 6 ?
N2B Al1 N2A 70.7(11) 5_556 6 ?
N2B Al1 N2A 17.3(11) 6 6 ?
N2B Al1 N2A 162.7(11) 2_556 6 ?
N2B Al1 N2A 109.3(11) . 6 ?
N1 Al1 N2A 91.3(15) . 6 ?
N1 Al1 N2A 88.7(15) 5_556 6 ?
N2C Al1 N2A 93.8(14) 5_556 2_556 ?
N2C Al1 N2A 148.3(11) 6 2_556 ?
N2C Al1 N2A 31.7(11) 2_556 2_556 ?
N2C Al1 N2A 86.2(14) . 2_556 ?
N2B Al1 N2A 109.3(11) 5_556 2_556 ?
N2B Al1 N2A 162.7(11) 6 2_556 ?
N2B Al1 N2A 17.3(11) 2_556 2_556 ?
N2B Al1 N2A 70.7(11) . 2_556 ?
N1 Al1 N2A 88.7(15) . 2_556 ?
N1 Al1 N2A 91.3(15) 5_556 2_556 ?
N2A Al1 N2A 180(2) 6 2_556 ?
N10A Al2 N10A 116.1(11) . 6_565 ?
N10A Al2 N12 95.2(10) . . ?
N10A Al2 N12 95.2(10) 6_565 . ?
N10A Al2 N9 69.5(10) . . ?
N10A Al2 N9 170.0(12) 6_565 . ?
N12 Al2 N9 75.6(8) . . ?
N10A Al2 N9 170.0(12) . 6_565 ?
N10A Al2 N9 69.5(10) 6_565 6_565 ?
N12 Al2 N9 75.6(8) . 6_565 ?
N9 Al2 N9 103.7(17) . 6_565 ?
N10A Al2 N14 76.9(11) . 6_565 ?
N10A Al2 N14 93.6(11) 6_565 6_565 ?
N12 Al2 N14 21.2(4) . 6_565 ?
N9 Al2 N14 79.3(7) . 6_565 ?
N9 Al2 N14 94.8(8) 6_565 6_565 ?
N10A Al2 N14 93.6(11) . . ?
N10A Al2 N14 76.9(11) 6_565 . ?
N12 Al2 N14 21.2(4) . . ?
N9 Al2 N14 94.8(8) . . ?
N9 Al2 N14 79.3(7) 6_565 . ?
N14 Al2 N14 19.7(8) 6_565 . ?
N10A Al2 N16A 166.8(19) . . ?
N10A Al2 N16A 71.3(16) 6_565 . ?
N12 Al2 N16A 94.9(11) . . ?
N9 Al2 N16A 105.0(10) . . ?
N9 Al2 N16A 19.8(11) 6_565 . ?
N14 Al2 N16A 114.5(13) 6_565 . ?
N14 Al2 N16A 98.9(15) . . ?
N10A Al2 N16A 71.3(16) . 6_565 ?
N10A Al2 N16A 166.8(19) 6_565 6_565 ?
N12 Al2 N16A 94.9(11) . 6_565 ?
N9 Al2 N16A 19.8(11) . 6_565 ?
N9 Al2 N16A 105.0(10) 6_565 6_565 ?
N14 Al2 N16A 98.9(15) 6_565 6_565 ?
N14 Al2 N16A 114.5(13) . 6_565 ?
N16A Al2 N16A 99(3) . 6_565 ?
N10A Al2 N10 19.3(7) . . ?
N10A Al2 N10 99.8(14) 6_565 . ?
N12 Al2 N10 86.6(7) . . ?
N9 Al2 N10 83.9(12) . . ?
N9 Al2 N10 158.0(8) 6_565 . ?
N14 Al2 N10 65.9(8) 6_565 . ?
N14 Al2 N10 79.5(8) . . ?
N16A Al2 N10 171.1(17) . . ?
N16A Al2 N10 89.2(18) 6_565 . ?
N10A Al2 N10 99.8(14) . 6_565 ?
N10A Al2 N10 19.3(7) 6_565 6_565 ?
N12 Al2 N10 86.6(7) . 6_565 ?
N9 Al2 N10 158.0(8) . 6_565 ?
N9 Al2 N10 83.9(12) 6_565 6_565 ?
N14 Al2 N10 79.5(8) 6_565 6_565 ?
N14 Al2 N10 65.9(8) . 6_565 ?
N16A Al2 N10 89.2(18) . 6_565 ?
N16A Al2 N10 171.1(17) 6_565 6_565 ?
N10 Al2 N10 82.1(19) . 6_565 ?
N10A Al2 N8 95.6(10) . . ?
N10A Al2 N8 95.6(10) 6_565 . ?
N12 Al2 N8 159.4(5) . . ?
N9 Al2 N8 91.9(6) . . ?
N9 Al2 N8 91.9(6) 6_565 . ?
N14 Al2 N8 170.0(4) 6_565 . ?
N14 Al2 N8 170.0(4) . . ?
N16A Al2 N8 72.2(14) . . ?
N16A Al2 N8 72.2(14) 6_565 . ?
N10 Al2 N8 108.7(7) . . ?
N10 Al2 N8 108.6(7) 6_565 . ?
C12 C1 C11 55.3(10) . . ?
C12 C1 N10 105.8(15) . . ?
C11 C1 N10 121.0(14) . . ?
C12 C1 C17 103.7(14) . . ?
C11 C1 C17 133.9(10) . . ?
N10 C1 C17 103.4(14) . . ?
C12 C1 N10B 98.4(14) . . ?
C11 C1 N10B 99.2(11) . . ?
N10 C1 N10B 22.5(11) . . ?
C17 C1 N10B 125.9(13) . . ?
C12 C1 C13 133.8(12) . . ?
C11 C1 C13 114.4(12) . . ?
N10 C1 C13 114.8(15) . . ?
C17 C1 C13 47.2(9) . . ?
N10B C1 C13 127.3(12) . . ?
C12 C1 C15 117.7(13) . . ?
C11 C1 C15 64.9(10) . . ?
N10 C1 C15 119.0(11) . . ?
C17 C1 C15 105.1(13) . . ?
N10B C1 C15 106.9(16) . . ?
C13 C1 C15 59.4(11) . . ?
C12 C1 C16 53.8(11) . . ?
C11 C1 C16 107.9(10) . . ?
N10 C1 C16 89.3(10) . . ?
C17 C1 C16 58.0(10) . . ?
N10B C1 C16 102.1(15) . . ?
C13 C1 C16 104.4(11) . . ?
C15 C1 C16 150.9(10) . . ?
C12 C1 N17 121.6(17) . . ?
C11 C1 N17 104.3(13) . . ?
N10 C1 N17 32.5(10) . . ?
C17 C1 N17 120.5(15) . . ?
N10B C1 N17 24.8(10) . . ?
C13 C1 N17 104.5(16) . . ?
C15 C1 N17 87.0(11) . . ?
C16 C1 N17 121.7(11) . . ?
C12 C1 N10A 130.7(13) . . ?
C11 C1 N10A 129.8(11) . . ?
N10 C1 N10A 24.9(9) . . ?
C17 C1 N10A 95.6(12) . . ?
N10B C1 N10A 36.9(10) . . ?
C13 C1 N10A 92.0(11) . . ?
C15 C1 N10A 99.6(15) . . ?
C16 C1 N10A 105.3(15) . . ?
N17 C1 N10A 25.5(10) . . ?
C21 C2 C21 62.3(15) 6_565 . ?
C21 C2 N12 96.5(9) 6_565 . ?
C21 C2 N12 96.5(9) . . ?
C21 C2 C23 146.8(11) 6_565 . ?
C21 C2 C23 106.8(10) . . ?
N12 C2 C23 116.3(9) . . ?
C21 C2 C23 106.7(10) 6_565 6_565 ?
C21 C2 C23 146.8(11) . 6_565 ?
N12 C2 C23 116.3(9) . 6_565 ?
C23 C2 C23 64.1(16) . 6_565 ?
C21 C2 C22 111.7(13) 6_565 . ?
C21 C2 C22 55.2(9) . . ?
N12 C2 C22 114.3(8) . . ?
C23 C2 C22 51.8(9) . . ?
C23 C2 C22 110.3(13) 6_565 . ?
C21 C2 C22 55.2(9) 6_565 6_565 ?
C21 C2 C22 111.7(13) . 6_565 ?
N12 C2 C22 114.3(8) . 6_565 ?
C23 C2 C22 110.3(13) . 6_565 ?
C23 C2 C22 51.8(9) 6_565 6_565 ?
C22 C2 C22 130.8(15) . 6_565 ?
C21 C2 N14 124.9(10) 6_565 6_565 ?
C21 C2 N14 109.5(9) . 6_565 ?
N12 C2 N14 28.4(5) . 6_565 ?
C23 C2 N14 88.1(9) . 6_565 ?
C23 C2 N14 102.2(10) 6_565 6_565 ?
C22 C2 N14 100.3(9) . 6_565 ?
C22 C2 N14 126.7(9) 6_565 6_565 ?
C21 C2 N14 109.5(9) 6_565 . ?
C21 C2 N14 124.9(10) . . ?
N12 C2 N14 28.4(5) . . ?
C23 C2 N14 102.2(10) . . ?
C23 C2 N14 88.1(9) 6_565 . ?
C22 C2 N14 126.7(9) . . ?
C22 C2 N14 100.3(9) 6_565 . ?
N14 C2 N14 26.6(10) 6_565 . ?
N9 C3 C33 96.9(10) . . ?
N9 C3 C32 112.8(15) . . ?
C33 C3 C32 112.4(15) . . ?
N9 C3 C31 96.8(12) . . ?
C33 C3 C31 51.1(10) . . ?
C32 C3 C31 65.6(12) . . ?
N9 C3 N16 24.1(6) . 6_565 ?
C33 C3 N16 120.6(12) . 6_565 ?
C32 C3 N16 96.8(11) . 6_565 ?
C31 C3 N16 107.4(13) . 6_565 ?
N9 C3 C34 99.8(14) . . ?
C33 C3 C34 53.5(11) . . ?
C32 C3 C34 146.5(12) . . ?
C31 C3 C34 104.1(13) . . ?
N16 C3 C34 116.5(10) 6_565 . ?
N9 C3 C35 130.6(12) . . ?
C33 C3 C35 130.8(13) . . ?
C32 C3 C35 44.2(10) . . ?
C31 C3 C35 103.7(13) . . ?
N16 C3 C35 106.5(12) 6_565 . ?
C34 C3 C35 117.4(13) . . ?
N9 C3 C36 114.3(14) . . ?
C33 C3 C36 107.6(15) . . ?
C32 C3 C36 111.9(13) . . ?
C31 C3 C36 145.4(11) . . ?
N16 C3 C36 107.1(13) 6_565 . ?
C34 C3 C36 57.6(11) . . ?
C35 C3 C36 67.9(12) . . ?
N9 C3 N16A 25.4(15) . 6_565 ?
C33 C3 N16A 114(2) . 6_565 ?
C32 C3 N16A 117.6(19) . 6_565 ?
C31 C3 N16A 122.0(18) . 6_565 ?
N16 C3 N16A 22.3(11) 6_565 6_565 ?
C34 C3 N16A 95.2(17) . 6_565 ?
C35 C3 N16A 115(2) . 6_565 ?
C36 C3 N16A 90.6(16) . 6_565 ?
N8 C4 C44 110.2(8) . . ?
N8 C4 C44 110.2(8) . 6_565 ?
C44 C4 C44 82.7(17) . 6_565 ?
N8 C4 C42 96.1(9) . 6_565 ?
C44 C4 C42 150.1(10) . 6_565 ?
C44 C4 C42 101.6(10) 6_565 6_565 ?
N8 C4 C42 96.1(9) . . ?
C44 C4 C42 101.6(10) . . ?
C44 C4 C42 150.1(10) 6_565 . ?
C42 C4 C42 60.5(15) 6_565 . ?
N8 C4 N8A 28.2(6) . . ?
C44 C4 N8A 82.7(9) . . ?
C44 C4 N8A 101.3(10) 6_565 . ?
C42 C4 N8A 124.3(10) 6_565 . ?
C42 C4 N8A 108.5(10) . . ?
N8 C4 N8A 28.2(6) . 6_565 ?
C44 C4 N8A 101.3(10) . 6_565 ?
C44 C4 N8A 82.7(9) 6_565 6_565 ?
C42 C4 N8A 108.5(10) 6_565 6_565 ?
C42 C4 N8A 124.3(10) . 6_565 ?
N8A C4 N8A 28.3(12) . 6_565 ?
N8 C4 C43 116.8(8) . 6_565 ?
C44 C4 C43 117.3(13) . 6_565 ?
C44 C4 C43 43.9(9) 6_565 6_565 ?
C42 C4 C43 58.1(9) 6_565 6_565 ?
C42 C4 C43 111.7(12) . 6_565 ?
N8A C4 C43 129.1(10) . 6_565 ?
N8A C4 C43 101.2(9) 6_565 6_565 ?
N8 C4 C43 116.8(8) . . ?
C44 C4 C43 43.9(9) . . ?
C44 C4 C43 117.3(13) 6_565 . ?
C42 C4 C43 111.7(12) 6_565 . ?
C42 C4 C43 58.1(9) . . ?
N8A C4 C43 101.2(9) . . ?
N8A C4 C43 129.1(10) 6_565 . ?
C43 C4 C43 126.2(16) 6_565 . ?
N8A N8 N8A 61(3) . 6_565 ?
N8A N8 C4 79.1(19) . . ?
N8A N8 C4 79.1(19) 6_565 . ?
N8A N8 N20 156.9(19) . . ?
N8A N8 N20 96.9(14) 6_565 . ?
C4 N8 N20 104.4(8) . . ?
N8A N8 N20 96.9(14) . 6_565 ?
N8A N8 N20 156.9(19) 6_565 6_565 ?
C4 N8 N20 104.4(8) . 6_565 ?
N20 N8 N20 104.1(12) . 6_565 ?
N8A N8 Al2 82.0(19) . . ?
N8A N8 Al2 82.0(19) 6_565 . ?
C4 N8 Al2 158.0(9) . . ?
N20 N8 Al2 88.9(7) . . ?
N20 N8 Al2 88.9(7) 6_565 . ?
C5 N1 N1A 92(7) . . ?
C5 N1 N1A 92(7) . 6 ?
N1A N1 N1A 119(10) . 6 ?
C5 N1 N7 93.2(15) . . ?
N1A N1 N7 16(7) . . ?
N1A N1 N7 103(8) 6 . ?
C5 N1 N7 93.2(15) . 6 ?
N1A N1 N7 103(8) . 6 ?
N1A N1 N7 16(7) 6 6 ?
N7 N1 N7 87.2(19) . 6 ?
C5 N1 N6 98.8(17) . . ?
N1A N1 N6 162(8) . . ?
N1A N1 N6 76(7) 6 . ?
N7 N1 N6 168(2) . . ?
N7 N1 N6 91.3(10) 6 . ?
C5 N1 N6 98.8(17) . 6 ?
N1A N1 N6 76(7) . 6 ?
N1A N1 N6 162(8) 6 6 ?
N7 N1 N6 91.3(10) . 6 ?
N7 N1 N6 168(2) 6 6 ?
N6 N1 N6 88(2) . 6 ?
C5 N1 Al1 177(2) . . ?
N1A N1 Al1 87(7) . . ?
N1A N1 Al1 87(7) 6 . ?
N7 N1 Al1 84.3(13) . . ?
N7 N1 Al1 84.3(13) 6 . ?
N6 N1 Al1 83.7(14) . . ?
N6 N1 Al1 83.7(14) 6 . ?
N2A N2 N2B 38(3) . . ?
N2A N2 N2C 71(5) . . ?
N2B N2 N2C 34(3) . . ?
N2A N2 N1A 116(4) . 2_556 ?
N2B N2 N1A 131(3) . 2_556 ?
N2C N2 N1A 126(3) . 2_556 ?
N2A N2 C6 68(3) . . ?
N2B N2 C6 59(2) . . ?
N2C N2 C6 66(3) . . ?
N1A N2 C6 168(3) 2_556 . ?
N2A N2 N7 140(6) . 2_556 ?
N2B N2 N7 174(4) . 2_556 ?
N2C N2 N7 147(6) . 2_556 ?
N1A N2 N7 42.6(18) 2_556 2_556 ?
C6 N2 N7 127(3) . 2_556 ?
N2A N2 N20B 105(5) . . ?
N2B N2 N20B 67(3) . . ?
N2C N2 N20B 34(3) . . ?
N1A N2 N20B 108(2) 2_556 . ?
C6 N2 N20B 81.4(17) . . ?
N7 N2 N20B 114(3) 2_556 . ?
N2A N2 Al1 75(3) . . ?
N2B N2 Al1 71(2) . . ?
N2C N2 Al1 72(3) . . ?
N1A N2 Al1 61.3(11) 2_556 . ?
C6 N2 Al1 130(2) . . ?
N7 N2 Al1 103(2) 2_556 . ?
N20B N2 Al1 77.7(13) . . ?
N16A N9 N16 54(3) 6_565 6_565 ?
N16A N9 C3 82(4) 6_565 . ?
N16 N9 C3 75(2) 6_565 . ?
N16A N9 N19 162(6) 6_565 . ?
N16 N9 N19 111(5) 6_565 . ?
C3 N9 N19 105.7(17) . . ?
N16A N9 N13 84(6) 6_565 . ?
N16 N9 N13 138(5) 6_565 . ?
C3 N9 N13 104.1(16) . . ?
N19 N9 N13 109.3(11) . . ?
N16A N9 N16B 81(5) 6_565 . ?
N16 N9 N16B 28(4) 6_565 . ?
C3 N9 N16B 84.9(11) . . ?
N19 N9 N16B 83.5(16) . . ?
N13 N9 N16B 161.1(16) . . ?
N16A N9 Al2 79(4) 6_565 . ?
N16 N9 Al2 81(2) 6_565 . ?
C3 N9 Al2 154.9(9) . . ?
N19 N9 Al2 89.0(11) . . ?
N13 N9 Al2 89.5(13) . . ?
N16B N9 Al2 76.5(8) . . ?
N10B N10 N10A 102(5) . . ?
N10B N10 N17 50(3) . . ?
N10A N10 N17 52(3) . . ?
N10B N10 N21 135(7) . . ?
N10A N10 N21 122(6) . . ?
N17 N10 N21 169(4) . . ?
N10B N10 C1 80(4) . . ?
N10A N10 C1 81(3) . . ?
N17 N10 C1 75(2) . . ?
N21 N10 C1 113.8(15) . . ?
N10B N10 N13 125(5) . . ?
N10A N10 N13 24(4) . . ?
N17 N10 N13 75(4) . . ?
N21 N10 N13 97.6(19) . . ?
C1 N10 N13 91.5(15) . . ?
N10B N10 N22 32(5) . . ?
N10A N10 N22 133(5) . . ?
N17 N10 N22 82(4) . . ?
N21 N10 N22 103.5(19) . . ?
C1 N10 N22 94.2(16) . . ?
N13 N10 N22 153.6(14) . . ?
N10B N10 Al2 85(4) . . ?
N10A N10 Al2 80(3) . . ?
N17 N10 Al2 77.7(19) . . ?
N21 N10 Al2 93.4(13) . . ?
C1 N10 Al2 152.1(14) . . ?
N13 N10 Al2 78.0(11) . . ?
N22 N10 Al2 85.0(11) . . ?
C53 C5 C53 94(2) . 6 ?
C53 C5 N1 127.3(11) . . ?
C53 C5 N1 127.3(11) 6 . ?
C53 C5 C51 102.0(13) . . ?
C53 C5 C51 102.0(13) 6 . ?
N1 C5 C51 100.0(16) . . ?
C53 C5 C54 99.0(14) . 6 ?
C53 C5 C54 35.9(9) 6 6 ?
N1 C5 C54 99.0(13) . 6 ?
C51 C5 C54 134.1(10) . 6 ?
C53 C5 C54 35.9(9) . . ?
C53 C5 C54 99.0(14) 6 . ?
N1 C5 C54 99.0(13) . . ?
C51 C5 C54 134.1(10) . . ?
C54 C5 C54 83(2) 6 . ?
C53 C5 C52 128.6(16) . 6 ?
C53 C5 C52 48.5(18) 6 6 ?
N1 C5 C52 104.1(16) . 6 ?
C51 C5 C52 64(2) . 6 ?
C54 C5 C52 71(2) 6 6 ?
C54 C5 C52 147(2) . 6 ?
C53 C5 C52 48.5(18) . . ?
C53 C5 C52 128.6(16) 6 . ?
N1 C5 C52 104.1(16) . . ?
C51 C5 C52 64(2) . . ?
C54 C5 C52 147(2) 6 . ?
C54 C5 C52 71(2) . . ?
C52 C5 C52 124(4) 6 . ?
N14 N12 N14 56(2) 6_565 . ?
N14 N12 C2 75.6(19) 6_565 . ?
N14 N12 C2 75.6(19) . . ?
N14 N12 N19 97.9(12) 6_565 . ?
N14 N12 N19 153.3(16) . . ?
C2 N12 N19 105.1(8) . . ?
N14 N12 N19 153.3(16) 6_565 6_565 ?
N14 N12 N19 97.9(12) . 6_565 ?
C2 N12 N19 105.1(8) . 6_565 ?
N19 N12 N19 107.3(12) . 6_565 ?
N14 N12 Al2 82.7(19) 6_565 . ?
N14 N12 Al2 82.7(19) . . ?
C2 N12 Al2 155.4(9) . . ?
N19 N12 Al2 89.1(8) . . ?
N19 N12 Al2 89.1(8) 6_565 . ?
N10A N13 N16A 103.8(18) . 6_565 ?
N10A N13 N9 105.7(14) . . ?
N16A N13 N9 25.5(13) 6_565 . ?
N10A N13 N10 11.6(18) . . ?
N16A N13 N10 104.7(16) 6_565 . ?
N9 N13 N10 101.4(11) . . ?
N10A N13 N17 14.6(19) . . ?
N16A N13 N17 97.5(15) 6_565 . ?
N9 N13 N17 105.7(12) . . ?
N10 N13 N17 25.8(8) . . ?
N2B N6 N2C 17.7(13) 6 6 ?
N2B N6 N20A 85.7(15) 6 . ?
N2C N6 N20A 68.0(15) 6 . ?
N2B N6 N1 106.8(16) 6 . ?
N2C N6 N1 104.9(18) 6 . ?
N20A N6 N1 86.5(18) . . ?
N2B N6 Al1 53.6(8) 6 . ?
N2C N6 Al1 53.5(12) 6 . ?
N20A N6 Al1 80.9(12) . . ?
N1 N6 Al1 53.3(12) . . ?
N12 N14 N14 62.0(12) . 6_565 ?
N12 N14 N21 163(2) . 6_565 ?
N14 N14 N21 130.9(9) 6_565 6_565 ?
N12 N14 C2 76.0(19) . . ?
N14 N14 C2 76.7(5) 6_565 . ?
N21 N14 C2 116.1(11) 6_565 . ?
N12 N14 N21 94.0(14) . . ?
N14 N14 N21 32.8(6) 6_565 . ?
N21 N14 N21 98.1(14) 6_565 . ?
C2 N14 N21 90.7(8) . . ?
N12 N14 N19 57.8(11) . 6_565 ?
N14 N14 N19 119.6(6) 6_565 6_565 ?
N21 N14 N19 107.1(11) 6_565 6_565 ?
C2 N14 N19 93.7(10) . 6_565 ?
N21 N14 N19 149.2(10) . 6_565 ?
N12 N14 Al2 76.0(18) . . ?
N14 N14 Al2 80.1(4) 6_565 . ?
N21 N14 Al2 93.9(10) 6_565 . ?
C2 N14 Al2 149.7(9) . . ?
N21 N14 Al2 79.9(7) . . ?
N19 N14 Al2 81.0(7) 6_565 . ?
N9 N16 N16A 67(5) 6_565 . ?
N9 N16 N20 113(5) 6_565 . ?
N16A N16 N20 46(7) . . ?
N9 N16 C3 81(2) 6_565 6_565 ?
N16A N16 C3 88(4) . 6_565 ?
N20 N16 C3 98.4(13) . 6_565 ?
N9 N16 N16B 141(5) 6_565 . ?
N16A N16 N16B 148(8) . . ?
N20 N16 N16B 102.5(15) . . ?
C3 N16 N16B 108.6(10) 6_565 . ?
N9 N16 Al2 81(2) 6_565 . ?
N16A N16 Al2 79(4) . . ?
N20 N16 Al2 82.7(9) . . ?
C3 N16 Al2 160.8(9) 6_565 . ?
N16B N16 Al2 89.7(9) . . ?
N10B N17 N10A 94(4) . . ?
N10B N17 N10 44(3) . . ?
N10A N17 N10 50(2) . . ?
N10B N17 N18 133(6) . . ?
N10A N17 N18 132(6) . . ?
N10 N17 N18 171(3) . . ?
N10B N17 C1 78(3) . . ?
N10A N17 C1 79(3) . . ?
N10 N17 C1 73.0(19) . . ?
N18 N17 C1 115.6(16) . . ?
N10B N17 N8A 122(4) . . ?
N10A N17 N8A 117(4) . . ?
N10 N17 N8A 137(2) . . ?
N18 N17 N8A 35.1(9) . . ?
C1 N17 N8A 150.5(14) . . ?
N10B N17 N13 123(5) . . ?
N10A N17 N13 30(4) . . ?
N10 N17 N13 79(4) . . ?
N18 N17 N13 102(2) . . ?
C1 N17 N13 92.3(15) . . ?
N8A N17 N13 92.9(14) . . ?
N10B N17 Al2 83(3) . . ?
N10A N17 Al2 79(3) . . ?
N10 N17 Al2 77.5(19) . . ?
N18 N17 Al2 94.1(13) . . ?
C1 N17 Al2 150.2(14) . . ?
N8A N17 Al2 59.1(7) . . ?
N13 N17 Al2 78.7(12) . . ?
N8A N18 N17 107.8(15) . . ?
N8A N18 N8A 17.9(9) . 6_565 ?
N17 N18 N8A 104.6(14) . 6_565 ?
N8A N18 N10B 106.3(13) . . ?
N17 N18 N10B 15.3(19) . . ?
N8A N18 N10B 98.6(11) 6_565 . ?
N8A N18 N10A 103.6(12) . . ?
N17 N18 N10A 16(2) . . ?
N8A N18 N10A 105.4(10) 6_565 . ?
N10B N18 N10A 30.6(9) . . ?
N8A N18 C44 72.2(11) . . ?
N17 N18 C44 179(2) . . ?
N8A N18 C44 75.0(9) 6_565 . ?
N10B N18 C44 163.4(13) . . ?
N10A N18 C44 165.6(12) . . ?
N9 N19 N12 106.2(11) . . ?
N9 N19 N14 101.5(11) . 6_565 ?
N12 N19 N14 24.2(5) . 6_565 ?
N2 N7 C54 178(3) 2_556 . ?
N2 N7 N1 103(2) 2_556 . ?
C54 N7 N1 78.0(14) . . ?
N2 N7 N2A 19(3) 2_556 2_556 ?
C54 N7 N2A 163.1(16) . 2_556 ?
N1 N7 N2A 99.4(15) . 2_556 ?
N2 C6 C63A 108.8(17) . . ?
N2 C6 C63 96.5(16) . . ?
C63A C6 C63 51.9(13) . . ?
N2 C6 C62 84.7(15) . . ?
C63A C6 C62 124.0(13) . . ?
C63 C6 C62 73.1(13) . . ?
N2 C6 N2B 33.6(14) . . ?
C63A C6 N2B 101.0(13) . . ?
C63 C6 N2B 118.2(13) . . ?
C62 C6 N2B 114.8(13) . . ?
N2 C6 C61 128.3(14) . . ?
C63A C6 C61 106.6(14) . . ?
C63 C6 C61 135.1(11) . . ?
C62 C6 C61 105.2(10) . . ?
N2B C6 C61 103.4(11) . . ?
N2 C6 N2A 33.0(17) . . ?
C63A C6 N2A 123.3(16) . . ?
C63 C6 N2A 129.3(19) . . ?
C62 C6 N2A 97.7(18) . . ?
N2B C6 N2A 22.3(14) . . ?
C61 C6 N2A 95.5(17) . . ?
N2 C6 N2C 33.9(18) . . ?
C63A C6 N2C 83.6(16) . . ?
C63 C6 N2C 98.8(16) . . ?
C62 C6 N2C 118(2) . . ?
N2B C6 N2C 20.5(13) . . ?
C61 C6 N2C 119.1(17) . . ?
N2A C6 N2C 40.9(15) . . ?
N10B N22 N10B 105(2) 6_565 . ?
N10B N22 N10 14(2) 6_565 6_565 ?
N10B N22 N10 103.6(12) . 6_565 ?
N10B N22 N10 103.6(12) 6_565 . ?
N10B N22 N10 14(2) . . ?
N10 N22 N10 98.4(15) 6_565 . ?
N2 N2A N2B 71(5) . . ?
N2 N2A N100 133(6) . . ?
N2B N2A N100 155(9) . . ?
N2 N2A N2C 55(3) . . ?
N2B N2A N2C 16(5) . . ?
N100 N2A N2C 168(5) . . ?
N2 N2A N1A 44(3) . 2_556 ?
N2B N2A N1A 98(6) . 2_556 ?
N100 N2A N1A 98(3) . 2_556 ?
N2C N2A N1A 84(4) . 2_556 ?
N2 N2A C6 79(3) . . ?
N2B N2A C6 66(4) . . ?
N100 N2A C6 120(2) . . ?
N2C N2A C6 68(3) . . ?
N1A N2A C6 122(3) 2_556 . ?
N2 N2A N7 21(4) . 2_556 ?
N2B N2A N7 92(6) . 2_556 ?
N100 N2A N7 112(3) . 2_556 ?
N2C N2A N7 76(4) . 2_556 ?
N1A N2A N7 32.1(11) 2_556 2_556 ?
C6 N2A N7 91(2) . 2_556 ?
N2 N2A N2A 120(5) . 2_556 ?
N2B N2A N2A 132(6) . 2_556 ?
N100 N2A N2A 36.4(18) . 2_556 ?
N2C N2A N2A 134(3) . 2_556 ?
N1A N2A N2A 76(3) 2_556 2_556 ?
C6 N2A N2A 155.9(19) . 2_556 ?
N7 N2A N2A 104(3) 2_556 2_556 ?
N2 N2A Al1 79(3) . . ?
N2B N2A Al1 76(4) . . ?
N100 N2A Al1 99(2) . . ?
N2C N2A Al1 72(2) . . ?
N1A N2A Al1 52.8(11) 2_556 . ?
C6 N2A Al1 140.2(19) . . ?
N7 N2A Al1 80.8(16) 2_556 . ?
N2A N2A Al1 62.6(9) 2_556 . ?
N9 N16A N16 58(4) 6_565 . ?
N9 N16A N13 70(7) 6_565 6_565 ?
N16 N16A N13 129(8) . 6_565 ?
N9 N16A C3 73(3) 6_565 6_565 ?
N16 N16A C3 70(4) . 6_565 ?
N13 N16A C3 98(3) 6_565 6_565 ?
N9 N16A N10A 78(6) 6_565 6_565 ?
N16 N16A N10A 124(7) . 6_565 ?
N13 N16A N10A 34.7(11) 6_565 6_565 ?
C3 N16A N10A 131(3) 6_565 6_565 ?
N9 N16A N20 173(7) 6_565 . ?
N16 N16A N20 116(9) . . ?
N13 N16A N20 115(2) 6_565 . ?
C3 N16A N20 111(3) 6_565 . ?
N10A N16A N20 103.0(19) 6_565 . ?
N9 N16A Al2 82(4) 6_565 . ?
N16 N16A Al2 83(4) . . ?
N13 N16A Al2 88(2) 6_565 . ?
C3 N16A Al2 150(2) 6_565 . ?
N10A N16A Al2 54.7(12) 6_565 . ?
N20 N16A Al2 93(2) . . ?
N16 N20 N8 103.7(10) . . ?
N16 N20 N16A 17.8(19) . . ?
N8 N20 N16A 105.8(17) . . ?
N2 N2B N2A 71(6) . . ?
N2 N2B N2C 75(7) . . ?
N2A N2B N2C 146(10) . . ?
N2 N2B N6 166(3) . 6 ?
N2A N2B N6 114(7) . 6 ?
N2C N2B N6 97(8) . 6 ?
N2 N2B C6 87(2) . . ?
N2A N2B C6 92(4) . . ?
N2C N2B C6 91(5) . . ?
N6 N2B C6 105.0(16) 6 . ?
N2 N2B N100 87(3) . . ?
N2A N2B N100 17(6) . . ?
N2C N2B N100 160(7) . . ?
N6 N2B N100 97.7(14) 6 . ?
C6 N2B N100 97.3(11) . . ?
N2 N2B N20B 85(3) . . ?
N2A N2B N20B 155(7) . . ?
N2C N2B N20B 10(7) . . ?
N6 N2B N20B 87.4(14) 6 . ?
C6 N2B N20B 93.2(10) . . ?
N100 N2B N20B 166.7(14) . . ?
N2 N2B Al1 83(2) . . ?
N2A N2B Al1 87(4) . . ?
N2C N2B Al1 84(5) . . ?
N6 N2B Al1 84.8(11) 6 . ?
C6 N2B Al1 169.6(19) . . ?
N100 N2B Al1 84.5(8) . . ?
N20B N2B Al1 83.7(8) . . ?
N10 N10A N17 79(3) . . ?
N10 N10A N13 144(6) . . ?
N17 N10A N13 136(6) . . ?
N10 N10A N10B 37(3) . . ?
N17 N10A N10B 42(2) . . ?
N13 N10A N10B 172(3) . . ?
N10 N10A N16A 130(4) . 6_565 ?
N17 N10A N16A 110(4) . 6_565 ?
N13 N10A N16A 41.5(14) . 6_565 ?
N10B N10A N16A 130(2) . 6_565 ?
N10 N10A C1 74(3) . . ?
N17 N10A C1 75(3) . . ?
N13 N10A C1 117.5(14) . . ?
N10B N10A C1 70.4(17) . . ?
N16A N10A C1 154.9(17) 6_565 . ?
N10 N10A N18 110(4) . . ?
N17 N10A N18 32(4) . . ?
N13 N10A N18 104(2) . . ?
N10B N10A N18 74(4) . . ?
N16A N10A N18 84.6(16) 6_565 . ?
C1 N10A N18 90.0(14) . . ?
N10 N10A Al2 81(3) . . ?
N17 N10A Al2 81(3) . . ?
N13 N10A Al2 93.8(12) . . ?
N10B N10A Al2 78.3(17) . . ?
N16A N10A Al2 54.0(11) 6_565 . ?
C1 N10A Al2 148.7(12) . . ?
N18 N10A Al2 80.1(11) . . ?
C22 C21 C2 67.4(10) . . ?
C22 C21 C21 119.5(11) . 6_565 ?
C2 C21 C21 58.9(8) . 6_565 ?
C33 C31 C3 63.7(12) . . ?
C33 C31 C32 116.7(18) . . ?
C3 C31 C32 57.8(10) . . ?
N2A N100 N2A 107(4) 2_556 . ?
N2A N100 N2B 104.8(18) 2_556 . ?
N2A N100 N2B 9(3) . . ?
N2A N100 N2B 9(3) 2_556 2_556 ?
N2A N100 N2B 104.8(18) . 2_556 ?
N2B N100 N2B 103.8(14) . 2_556 ?
N2A N100 Al1 53.6(18) 2_556 . ?
N2A N100 Al1 53.6(18) . . ?
N2B N100 Al1 51.9(7) . . ?
N2B N100 Al1 51.9(7) 2_556 . ?
C6 C62 C63 51.5(9) . . ?
N14 N21 N10 106.8(14) 6_565 . ?
N14 N21 N14 16.3(7) 6_565 . ?
N10 N21 N14 103.4(13) . . ?
N14 N21 N10B 105.4(13) 6_565 . ?
N10 N21 N10B 13.0(19) . . ?
N14 N21 N10B 98.5(11) . . ?
C1 C11 C12 63.5(9) . . ?
C1 C11 C15 59.3(8) . . ?
C12 C11 C15 120.1(14) . . ?
N10 N10B N17 86(4) . . ?
N10 N10B N10A 42(3) . . ?
N17 N10B N10A 44(3) . . ?
N10 N10B N22 134(7) . . ?
N17 N10B N22 139(6) . . ?
N10A N10B N22 170(3) . . ?
N10 N10B C1 77(4) . . ?
N17 N10B C1 77(3) . . ?
N10A N10B C1 72.7(17) . . ?
N22 N10B C1 116.4(16) . . ?
N10 N10B N18 117(5) . . ?
N17 N10B N18 32(4) . . ?
N10A N10B N18 76(4) . . ?
N22 N10B N18 107(2) . . ?
C1 N10B N18 91.3(17) . . ?
N10 N10B N21 32(5) . . ?
N17 N10B N21 116(5) . . ?
N10A N10B N21 73(4) . . ?
N22 N10B N21 102(2) . . ?
C1 N10B N21 91.2(15) . . ?
N18 N10B N21 145.9(14) . . ?
N10 N10B Al2 78(4) . . ?
N17 N10B Al2 78(3) . . ?
N10A N10B Al2 73.4(16) . . ?
N22 N10B Al2 97.5(14) . . ?
C1 N10B Al2 146.1(13) . . ?
N18 N10B Al2 79.4(11) . . ?
N21 N10B Al2 79.7(12) . . ?
C1 C15 C13 59.8(10) . . ?
C1 C15 C11 55.8(8) . . ?
C13 C15 C11 107.1(15) . . ?
N2 N1A N2A 20.3(12) 2_556 2_556 ?
N2 N1A N1 139(8) 2_556 . ?
N2A N1A N1 132(7) 2_556 . ?
N2 N1A C54 96.3(18) 2_556 . ?
N2A N1A C54 111.0(16) 2_556 . ?
N1 N1A C54 116(7) . . ?
N2 N1A Al1 64.6(14) 2_556 . ?
N2A N1A Al1 53.7(12) 2_556 . ?
N1 N1A Al1 78(6) . . ?
C54 N1A Al1 158(2) . . ?
N8 N8A N8A 59.5(15) . 6_565 ?
N8 N8A N18 166(2) . . ?
N8A N8A N18 130.7(10) 6_565 . ?
N8 N8A C4 72.7(19) . . ?
N8A N8A C4 75.9(6) 6_565 . ?
N18 N8A C4 117.2(13) . . ?
N8 N8A N18 90.4(17) . 6_565 ?
N8A N8A N18 31.4(6) 6_565 6_565 ?
N18 N8A N18 99.3(15) . 6_565 ?
C4 N8A N18 89.8(9) . 6_565 ?
N8 N8A N17 133(2) . . ?
N8A N8A N17 117.3(10) 6_565 . ?
N18 N8A N17 37.1(10) . . ?
C4 N8A N17 154.2(11) . . ?
N18 N8A N17 92.8(13) 6_565 . ?
N8 N8A C44 119(2) . . ?
N8A N8A C44 107.4(7) 6_565 . ?
N18 N8A C44 70.2(11) . . ?
C4 N8A C44 47.1(7) . . ?
N18 N8A C44 98.9(10) 6_565 . ?
N17 N8A C44 107.3(10) . . ?
N8 N8A Al2 76.8(18) . . ?
N8A N8A Al2 79.3(5) 6_565 . ?
N18 N8A Al2 94.9(11) . . ?
C4 N8A Al2 147.5(10) . . ?
N18 N8A Al2 79.4(8) 6_565 . ?
N17 N8A Al2 57.8(7) . . ?
C44 N8A Al2 164.6(10) . . ?
C17 C13 C1 66.4(12) . . ?
C17 C13 C15 125(2) . . ?
C1 C13 C15 60.8(11) . . ?
N20B N20A N2C 45.7(12) . . ?
N20B N20A N2C 45.7(12) . 6 ?
N2C N20A N2C 67(2) . 6 ?
N20B N20A N6 108.3(14) . . ?
N2C N20A N6 112.5(17) . . ?
N2C N20A N6 62.7(15) 6 . ?
N20B N20A N6 108.3(14) . 6 ?
N2C N20A N6 62.7(15) . 6 ?
N2C N20A N6 112.5(17) 6 6 ?
N6 N20A N6 99(2) . 6 ?
N2C N20B N2C 100(3) . 6 ?
N2C N20B N20A 83(2) . . ?
N2C N20B N20A 83(2) 6 . ?
N2C N20B N2 97(2) . 6 ?
N2C N20B N2 23(3) 6 6 ?
N20A N20B N2 105.2(15) . 6 ?
N2C N20B N2 23(3) . . ?
N2C N20B N2 97(2) 6 . ?
N20A N20B N2 105.2(15) . . ?
N2 N20B N2 84.8(18) 6 . ?
N2C N20B N2B 99.7(15) . 6 ?
N2C N20B N2B 4(3) 6 6 ?
N20A N20B N2B 78.6(12) . 6 ?
N2 N20B N2B 27.4(12) 6 6 ?
N2 N20B N2B 98.0(12) . 6 ?
N2C N20B N2B 4(3) . . ?
N2C N20B N2B 99.7(15) 6 . ?
N20A N20B N2B 78.6(12) . . ?
N2 N20B N2B 98.0(12) 6 . ?
N2 N20B N2B 27.4(12) . . ?
N2B N20B N2B 99.2(13) 6 . ?
N2C N20B C63A 73.2(16) . . ?
N2C N20B C63A 168(3) 6 . ?
N20A N20B C63A 86.3(13) . . ?
N2 N20B C63A 163.8(17) 6 . ?
N2 N20B C63A 81.2(11) . . ?
N2B N20B C63A 164.1(16) 6 . ?
N2B N20B C63A 72.8(9) . . ?
N2C N20B C63A 168(3) . 6 ?
N2C N20B C63A 73.2(16) 6 6 ?
N20A N20B C63A 86.3(13) . 6 ?
N2 N20B C63A 81.2(11) 6 6 ?
N2 N20B C63A 163.8(17) . 6 ?
N2B N20B C63A 72.8(9) 6 6 ?
N2B N20B C63A 164.1(16) . 6 ?
C63A N20B C63A 111.4(17) . 6 ?
C12 C16 C17 108.3(17) . . ?
C12 C16 C1 59.3(10) . . ?
C17 C16 C1 58.0(9) . . ?
N16 N16B N16 105.2(15) 6_565 . ?
N16 N16B N9 103.8(11) 6_565 6_565 ?
N16 N16B N9 11.1(15) . 6_565 ?
N16 N16B N9 11.1(15) 6_565 . ?
N16 N16B N9 103.8(11) . . ?
N9 N16B N9 100.4(12) 6_565 . ?
C43 C42 C4 61.9(10) . . ?
C43 C42 C42 114.4(11) . 6_565 ?
C4 C42 C42 59.8(7) . 6_565 ?
C23 C22 C21 116.3(15) . . ?
C23 C22 C2 59.1(9) . . ?
C21 C22 C2 57.4(9) . . ?
C5 C51 C52 65.7(18) . 6 ?
C5 C51 C52 65.7(18) . . ?
C52 C51 C52 127(4) 6 . ?
C22 C23 C2 69.1(11) . . ?
C22 C23 C23 120.1(12) . 6_565 ?
C2 C23 C23 58.0(8) . 6_565 ?
C13 C17 C16 129(2) . . ?
C13 C17 C1 66.4(12) . . ?
C16 C17 C1 64.0(10) . . ?
C13 C17 C12 96.0(17) . . ?
C16 C17 C12 34.4(9) . . ?
C1 C17 C12 38.0(8) . . ?
C43 C44 C4 74.2(14) . . ?
C43 C44 N8A 97.6(15) . . ?
C4 C44 N8A 50.2(6) . . ?
C43 C44 N18 114.1(17) . . ?
C4 C44 N18 87.8(8) . . ?
N8A C44 N18 37.6(6) . . ?
C43 C44 C44 113.4(16) . 6_565 ?
C4 C44 C44 48.6(8) . 6_565 ?
N8A C44 C44 72.6(7) . 6_565 ?
N18 C44 C44 97.0(7) . 6_565 ?
C44 C43 C42 121.4(18) . . ?
C44 C43 C4 61.9(12) . . ?
C42 C43 C4 60.0(10) . . ?
C63A C63 C6 65.8(14) . . ?
C63A C63 C62 120(2) . . ?
C6 C63 C62 55.4(11) . . ?
C31 C33 C3 65.1(12) . . ?
C31 C33 C34 129(2) . . ?
C3 C33 C34 65.3(12) . . ?
N2B N2C N2 71(6) . . ?
N2B N2C N20B 166(10) . . ?
N2 N2C N20B 123(6) . . ?
N2B N2C N2C 137(5) . 6 ?
N2 N2C N2C 111(3) . 6 ?
N20B N2C N2C 40.0(15) . 6 ?
N2B N2C N2A 18(6) . . ?
N2 N2C N2A 54(3) . . ?
N20B N2C N2A 174(5) . . ?
N2C N2C N2A 135(2) 6 . ?
N2B N2C N20A 114(8) . . ?
N2 N2C N20A 166(4) . . ?
N20B N2C N20A 51.7(19) . . ?
N2C N2C N20A 56.5(12) 6 . ?
N2A N2C N20A 131(5) . . ?
N2B N2C N6 65(7) . 6 ?
N2 N2C N6 135(4) . 6 ?
N20B N2C N6 101(3) . 6 ?
N2C N2C N6 94.2(14) 6 6 ?
N2A N2C N6 82(4) . 6 ?
N20A N2C N6 49.3(16) . 6 ?
N2B N2C C6 68(5) . . ?
N2 N2C C6 80(3) . . ?
N20B N2C C6 114(2) . . ?
N2C N2C C6 153.8(11) 6 . ?
N2A N2C C6 71(3) . . ?
N20A N2C C6 113(2) . . ?
N6 N2C C6 94(2) 6 . ?
N2B N2C Al1 80(5) . . ?
N2 N2C Al1 81(3) . . ?
N20B N2C Al1 99(2) . . ?
N2C N2C Al1 58.9(9) 6 . ?
N2A N2C Al1 76(2) . . ?
N20A N2C Al1 87.4(17) . . ?
N6 N2C Al1 80.4(16) 6 . ?
C6 N2C Al1 147.2(19) . . ?
C3 C34 C36 60.2(11) . . ?
C3 C34 C33 61.2(11) . . ?
C36 C34 C33 117.1(19) . . ?
C54 C53 C52 114(3) . . ?
C54 C53 C5 76.6(19) . . ?
C52 C53 C5 76(2) . . ?
C54 C53 C53 87(3) . 6 ?
C52 C53 C53 110(3) . 6 ?
C5 C53 C53 43.1(11) . 6 ?
C53 C54 C5 67(2) . . ?
C53 C54 N7 138(3) . . ?
C5 C54 N7 89.7(10) . . ?
C53 C54 C52 40(2) . . ?
C5 C54 C52 58.9(18) . . ?
N7 C54 C52 98.7(17) . . ?
C53 C54 N1A 107(3) . . ?
C5 C54 N1A 50.4(10) . . ?
N7 C54 N1A 39.6(10) . . ?
C52 C54 N1A 74.9(18) . . ?
C53 C54 C54 93(3) . 6 ?
C5 C54 C54 48.6(10) . 6 ?
N7 C54 C54 97.0(9) . 6 ?
C52 C54 C54 105.2(18) . 6 ?
N1A C54 C54 73.6(12) . 6 ?
C35 C32 C3 66.0(15) . . ?
C35 C32 C31 115(2) . . ?
C3 C32 C31 56.6(9) . . ?
C32 C35 C3 69.9(13) . . ?
C32 C35 C36 127(2) . . ?
C3 C35 C36 56.9(10) . . ?
C53 C52 C51 96(4) . . ?
C53 C52 C5 55(2) . . ?
C51 C52 C5 50.5(17) . . ?
C53 C52 C54 26.5(14) . . ?
C51 C52 C54 100(3) . . ?
C5 C52 C54 49.9(15) . . ?
C63 C63A C6 62.4(17) . . ?
C63 C63A N20B 93.9(19) . . ?
C6 C63A N20B 86.4(10) . . ?
C34 C36 C3 62.1(10) . . ?
C34 C36 C35 110.3(17) . . ?
C3 C36 C35 55.2(9) . . ?
C16 C12 C1 66.8(11) . . ?
C16 C12 C11 126.3(18) . . ?
C1 C12 C11 61.2(10) . . ?
C16 C12 C17 37.3(10) . . ?
C1 C12 C17 38.3(8) . . ?
C11 C12 C17 90.1(13) . . ?
loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_site_symmetry_2
_geom_bond_publ_flag
Al1 N2C 1.97(3) 5_556 ?
Al1 N2C 1.97(3) 6 ?
Al1 N2C 1.97(3) 2_556 ?
Al1 N2C 1.97(3) . ?
Al1 N2B 1.952(17) 5_556 ?
Al1 N2B 1.952(17) 6 ?
Al1 N2B 1.952(17) 2_556 ?
Al1 N2B 1.952(17) . ?
Al1 N1 1.95(3) . ?
Al1 N1 1.95(3) 5_556 ?
Al1 N2A 2.01(3) 6 ?
Al1 N2A 2.01(3) 2_556 ?
Al2 N10A 1.970(19) . ?
Al2 N10A 1.970(19) 6_565 ?
Al2 N12 1.965(13) . ?
Al2 N9 1.974(17) . ?
Al2 N9 1.974(17) 6_565 ?
Al2 N14 2.008(14) 6_565 ?
Al2 N14 2.008(14) . ?
Al2 N16A 1.96(4) . ?
Al2 N16A 1.96(4) 6_565 ?
Al2 N10 1.98(2) . ?
Al2 N10 1.98(2) 6_565 ?
Al2 N8 1.977(12) . ?
C1 C12 1.471(17) . ?
C1 C11 1.441(10) . ?
C1 N10 1.51(2) . ?
C1 C17 1.483(16) . ?
C1 N10B 1.53(2) . ?
C1 C13 1.482(17) . ?
C1 C15 1.497(17) . ?
C1 C16 1.572(15) . ?
C1 N17 1.53(2) . ?
C1 N10A 1.55(2) . ?
C2 C21 1.450(14) 6_565 ?
C2 C21 1.450(14) . ?
C2 N12 1.495(15) . ?
C2 C23 1.459(15) . ?
C2 C23 1.459(15) 6_565 ?
C2 C22 1.589(16) . ?
C2 C22 1.589(16) 6_565 ?
C2 N14 1.492(16) 6_565 ?
C2 N14 1.492(16) . ?
C3 N9 1.501(18) . ?
C3 C33 1.511(18) . ?
C3 C32 1.548(18) . ?
C3 C31 1.528(17) . ?
C3 N16 1.465(15) 6_565 ?
C3 C34 1.566(18) . ?
C3 C35 1.506(18) . ?
C3 C36 1.537(17) . ?
C3 N16A 1.56(3) 6_565 ?
C4 N8 1.482(14) . ?
C4 C44 1.452(15) . ?
C4 C44 1.452(15) 6_565 ?
C4 C42 1.555(15) 6_565 ?
C4 C42 1.555(15) . ?
C4 N8A 1.525(17) . ?
C4 N8A 1.525(17) 6_565 ?
C4 C43 1.58(2) 6_565 ?
C4 C43 1.58(2) . ?
N8 N8A 0.735(16) . ?
N8 N8A 0.735(16) 6_565 ?
N8 N20 1.506(15) . ?
N8 N20 1.506(15) 6_565 ?
N1 C5 1.43(3) . ?
N1 N1A 0.53(3) . ?
N1 N1A 0.53(3) 6 ?
N1 N7 1.78(3) . ?
N1 N7 1.78(3) 6 ?
N1 N6 1.66(3) . ?
N1 N6 1.66(3) 6 ?
N2 N2A 0.92(5) . ?
N2 N2B 0.92(4) . ?
N2 N2C 0.94(5) . ?
N2 N1A 1.84(4) 2_556 ?
N2 C6 1.67(3) . ?
N2 N7 1.04(3) 2_556 ?
N2 N20B 2.00(4) . ?
N9 N16A 0.67(4) 6_565 ?
N9 N16 0.621(16) 6_565 ?
N9 N19 1.51(3) . ?
N9 N13 1.48(3) . ?
N9 N16B 2.02(3) . ?
N10 N10B 0.59(3) . ?
N10 N10A 0.66(2) . ?
N10 N17 0.85(3) . ?
N10 N21 1.38(2) . ?
N10 N13 1.92(4) . ?
N10 N22 1.72(3) . ?
C5 C53 1.45(2) . ?
C5 C53 1.45(2) 6 ?
C5 C51 1.442(16) . ?
C5 C54 1.52(2) 6 ?
C5 C54 1.52(2) . ?
C5 C52 1.71(5) 6 ?
C5 C52 1.71(5) . ?
N12 N14 0.733(14) 6_565 ?
N12 N14 0.733(14) . ?
N12 N19 1.514(15) . ?
N12 N19 1.514(15) 6_565 ?
N13 N10A 1.34(2) . ?
N13 N16A 1.56(6) 6_565 ?
N13 N17 1.89(4) . ?
N6 N2B 1.61(3) 6 ?
N6 N2C 1.76(5) 6 ?
N6 N20A 1.51(2) . ?
C61 C6 1.484(12) . ?
N14 N14 0.69(3) 6_565 ?
N14 N21 1.324(19) 6_565 ?
N14 N21 1.85(2) . ?
N14 N19 1.771(19) 6_565 ?
N16 N16A 0.59(3) . ?
N16 N20 1.74(3) . ?
N16 N16B 1.499(16) . ?
N17 N10B 0.66(3) . ?
N17 N10A 0.68(3) . ?
N17 N18 1.33(2) . ?
N17 N8A 2.09(3) . ?
N18 N8A 1.262(19) . ?
N18 N8A 1.84(2) 6_565 ?
N18 N10B 1.83(4) . ?
N18 N10A 1.85(4) . ?
N18 C44 1.94(2) . ?
N7 C54 1.79(3) . ?
N7 N2A 1.85(5) 2_556 ?
C6 C63A 1.51(2) . ?
C6 C63 1.47(2) . ?
C6 C62 1.544(14) . ?
C6 N2B 1.434(18) . ?
C6 N2A 1.57(3) . ?
C6 N2C 1.54(3) . ?
N22 N10B 1.26(2) 6_565 ?
N22 N10B 1.26(2) . ?
N2A N2B 0.60(4) . ?
N2A N100 1.15(3) . ?
N2A N2C 1.09(4) . ?
N2A N1A 2.39(5) 2_556 ?
N2A N2A 1.85(7) 2_556 ?
N16A N10A 2.29(5) 6_565 ?
N16A N20 1.40(5) . ?
N2B N2C 0.54(3) . ?
N2B N100 1.710(19) . ?
N2B N20B 1.86(2) . ?
N10A N10B 0.97(3) . ?
C21 C22 1.41(2) . ?
C21 C21 1.50(3) 6_565 ?
C31 C33 1.31(3) . ?
C31 C32 1.67(3) . ?
C62 C63 1.79(3) . ?
N21 N10B 1.85(4) . ?
C11 C12 1.35(2) . ?
C11 C15 1.58(2) . ?
C15 C13 1.48(3) . ?
N1A C54 1.97(4) . ?
N8A N8A 0.75(3) 6_565 ?
N8A C44 1.968(19) . ?
C13 C17 1.19(2) . ?
N20A N20B 1.46(3) . ?
N20A N2C 1.84(5) . ?
N20A N2C 1.84(5) 6 ?
N20B N2C 1.33(3) . ?
N20B N2C 1.33(3) 6 ?
N20B C63A 1.97(2) . ?
N20B C63A 1.97(2) 6 ?
C16 C12 1.38(2) . ?
C16 C17 1.48(2) . ?
C42 C43 1.52(2) . ?
C42 C42 1.57(4) 6_565 ?
C22 C23 1.34(2) . ?
C51 C52 1.68(6) 6 ?
C51 C52 1.68(6) . ?
C23 C23 1.55(4) 6_565 ?
C17 C12 2.32(3) . ?
C44 C43 1.14(2) . ?
C44 C44 1.92(4) 6_565 ?
C63 C63A 1.30(3) . ?
C33 C34 1.39(3) . ?
N2C N2C 2.04(6) 6 ?
C34 C36 1.50(3) . ?
C53 C54 0.92(2) . ?
C53 C52 1.32(5) . ?
C53 C53 2.11(5) 6 ?
C54 C52 1.88(6) . ?
C54 C54 2.02(5) 6 ?
C32 C35 1.15(3) . ?
C35 C36 1.70(3) . ?
