#------------------------------------------------------------------------------
#$Date: 2017-07-11 14:26:40 +0300 (Tue, 11 Jul 2017) $
#$Revision: 198632 $
#$URL: file:///home/coder/svn-repositories/cod/cif/4/32/45/4324538.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_4324538
loop_
_publ_author_name
'Xiaoli Ma'
'Zhi Yang'
'Xiujuan Wang'
'Herbert W. Roesky'
'Feng Wu'
'Hongping Zhu'
_publ_section_title
;
 Synthesis of Boroxine-Linked Aluminum Complexes
;
_journal_name_full               'Inorganic Chemistry'
_journal_page_first              2010
_journal_page_last               2014
_journal_paper_doi               10.1021/ic1022906
_journal_volume                  50
_journal_year                    2011
_chemical_formula_sum            'C44 H49 Al B2 F2 N2 O3'
_chemical_formula_weight         740.45
_chemical_name_systematic
; 
 ? 
;
_space_group_IT_number           60
_symmetry_cell_setting           orthorhombic
_symmetry_space_group_name_Hall  '-P 2n 2ab'
_symmetry_space_group_name_H-M   'P b c n'
_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                 90.00
_cell_angle_gamma                90.00
_cell_formula_units_Z            8
_cell_length_a                   29.861(4)
_cell_length_b                   21.602(3)
_cell_length_c                   12.9186(17)
_cell_measurement_reflns_used    16526
_cell_measurement_temperature    133(2)
_cell_measurement_theta_max      27.49
_cell_measurement_theta_min      3.15
_cell_volume                     8333.2(19)
_computing_cell_refinement       'CrystalClear (Rigaku Inc., 2008)'
_computing_data_collection       'CrystalClear (Rigaku Inc., 2008)'
_computing_data_reduction        'CrystalClear (Rigaku Inc., 2008)'
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 1997)'
_computing_structure_solution    'SHELXS-97 (Sheldrick, 1990)'
_diffrn_ambient_temperature      133(2)
_diffrn_detector_area_resol_mean 28.5714
_diffrn_measured_fraction_theta_full 0.997
_diffrn_measured_fraction_theta_max 0.997
_diffrn_measurement_device_type  AFC10/Saturn724+
_diffrn_measurement_method       'phi and omega scans'
_diffrn_radiation_monochromator  graphite
_diffrn_radiation_source         'Rotating Anode'
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_reflns_av_R_equivalents  0.0925
_diffrn_reflns_av_sigmaI/netI    0.0521
_diffrn_reflns_limit_h_max       36
_diffrn_reflns_limit_h_min       -36
_diffrn_reflns_limit_k_max       26
_diffrn_reflns_limit_k_min       -24
_diffrn_reflns_limit_l_max       15
_diffrn_reflns_limit_l_min       -14
_diffrn_reflns_number            56882
_diffrn_reflns_theta_full        26.00
_diffrn_reflns_theta_max         26.00
_diffrn_reflns_theta_min         3.20
_diffrn_standards_decay_%        0
_diffrn_standards_interval_count 0
_diffrn_standards_interval_time  0
_diffrn_standards_number         0
_exptl_absorpt_coefficient_mu    0.098
_exptl_absorpt_correction_T_max  0.9871
_exptl_absorpt_correction_T_min  0.9527
_exptl_absorpt_correction_type   multi-scan
_exptl_crystal_colour            Colorless
_exptl_crystal_density_diffrn    1.180
_exptl_crystal_description       Prism
_exptl_crystal_F_000             3136
_exptl_crystal_size_max          0.50
_exptl_crystal_size_mid          0.27
_exptl_crystal_size_min          0.13
_refine_diff_density_max         0.285
_refine_diff_density_min         -0.208
_refine_diff_density_rms         0.051
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.150
_refine_ls_hydrogen_treatment    mixed
_refine_ls_matrix_type           full
_refine_ls_number_parameters     518
_refine_ls_number_reflns         8164
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      1.150
_refine_ls_R_factor_all          0.1050
_refine_ls_R_factor_gt           0.0778
_refine_ls_shift/su_max          0.001
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'calc w=1/[σ²(Fo²)+(0.0529P)²+5.6984P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1491
_refine_ls_wR_factor_ref         0.1609
_reflns_number_gt                6384
_reflns_number_total             8164
_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            ic1022906_si_002.cif
_cod_data_source_block           bo635
_cod_depositor_comments
;
The following automatic conversions were performed:

'_exptl_absorpt_correction_type' value 'multi-scans' was replaced
with the value 'multi-scan' as specified in the replacement file
'src/cod-tools/trunk/data/replacement-values/replacement_values.lst'.

Automatic conversion script
Id: cif_fix_values 5376 2017-05-30 11:51:03Z andrius 
;
_cod_original_cell_volume        8333(2)
_cod_database_code               4324538
loop_
_symmetry_equiv_pos_as_xyz
'x, y, z'
'-x+1/2, -y+1/2, z+1/2'
'-x, y, -z+1/2'
'x+1/2, -y+1/2, -z'
'-x, -y, -z'
'x-1/2, y-1/2, -z-1/2'
'x, -y, z-1/2'
'-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_symmetry_multiplicity
_atom_site_calc_flag
_atom_site_refinement_flags
Al1 Al 0.63906(3) 0.30359(3) 0.45655(6) 0.02109(19) Uani 1 1 d .
F1 F 0.63124(7) 0.42689(8) -0.09344(12) 0.0461(5) Uani 1 1 d .
F2 F 0.65456(7) 0.00618(8) 0.26524(17) 0.0588(6) Uani 1 1 d .
O1 O 0.62496(7) 0.28599(8) 0.22455(14) 0.0296(5) Uani 1 1 d .
O2 O 0.62280(6) 0.35846(8) 0.36541(13) 0.0243(4) Uani 1 1 d .
O3 O 0.64355(6) 0.23583(8) 0.38469(14) 0.0254(4) Uani 1 1 d .
N1 N 0.60196(7) 0.29752(9) 0.57225(17) 0.0228(5) Uani 1 1 d .
N2 N 0.69189(7) 0.32724(9) 0.52344(16) 0.0219(5) Uani 1 1 d .
B1 B 0.62080(10) 0.34578(14) 0.2635(2) 0.0241(7) Uani 1 1 d .
B2 B 0.63596(10) 0.23341(14) 0.2822(2) 0.0249(7) Uani 1 1 d .
C1 C 0.55358(10) 0.20575(13) 0.5859(2) 0.0309(7) Uani 1 1 d .
C2 C 0.51194(11) 0.17838(14) 0.5690(2) 0.0388(8) Uani 1 1 d .
H2 H 0.5079 0.1358 0.5848 0.047 Uiso 1 1 calc R
C3 C 0.47656(10) 0.21172(15) 0.5299(2) 0.0419(8) Uani 1 1 d .
H3 H 0.4485 0.1921 0.5188 0.050 Uiso 1 1 calc R
C4 C 0.48171(10) 0.27335(15) 0.5069(2) 0.0394(8) Uani 1 1 d .
H4 H 0.4570 0.2959 0.4802 0.047 Uiso 1 1 calc R
C5 C 0.52251(9) 0.30349(13) 0.5219(2) 0.0299(6) Uani 1 1 d .
C6 C 0.55839(9) 0.26863(12) 0.5604(2) 0.0247(6) Uani 1 1 d .
C7 C 0.61397(9) 0.31821(11) 0.6667(2) 0.0232(6) Uani 1 1 d .
C8 C 0.65634(9) 0.34221(12) 0.6879(2) 0.0245(6) Uani 1 1 d .
H8 H 0.6602 0.3595 0.7549 0.029 Uiso 1 1 calc R
C9 C 0.69382(9) 0.34399(11) 0.6232(2) 0.0254(6) Uani 1 1 d .
C10 C 0.73325(8) 0.32208(12) 0.4639(2) 0.0242(6) Uani 1 1 d .
C11 C 0.74845(9) 0.37223(12) 0.4043(2) 0.0285(6) Uani 1 1 d .
C12 C 0.78753(10) 0.36385(14) 0.3475(2) 0.0366(7) Uani 1 1 d .
H12 H 0.7990 0.3973 0.3079 0.044 Uiso 1 1 calc R
C13 C 0.81013(10) 0.30806(14) 0.3473(2) 0.0371(7) Uani 1 1 d .
H13 H 0.8366 0.3033 0.3072 0.045 Uiso 1 1 calc R
C14 C 0.79413(9) 0.25932(13) 0.4054(2) 0.0320(7) Uani 1 1 d .
H14 H 0.8098 0.2210 0.4046 0.038 Uiso 1 1 calc R
C15 C 0.75564(9) 0.26497(12) 0.4651(2) 0.0266(6) Uani 1 1 d .
C16 C 0.59182(10) 0.16710(13) 0.6302(3) 0.0369(7) Uani 1 1 d .
H16 H 0.6168 0.1960 0.6481 0.044 Uiso 1 1 calc R
C17 C 0.57848(12) 0.13296(15) 0.7291(3) 0.0455(8) Uani 1 1 d .
H17A H 0.5672 0.1628 0.7799 0.055 Uiso 1 1 calc R
H17B H 0.6047 0.1115 0.7575 0.055 Uiso 1 1 calc R
H17C H 0.5550 0.1027 0.7131 0.055 Uiso 1 1 calc R
C18 C 0.60945(15) 0.12143(16) 0.5512(3) 0.0693(13) Uani 1 1 d .
H18A H 0.5857 0.0922 0.5326 0.083 Uiso 1 1 calc R
H18B H 0.6348 0.0987 0.5807 0.083 Uiso 1 1 calc R
H18C H 0.6192 0.1438 0.4892 0.083 Uiso 1 1 calc R
C19 C 0.52612(10) 0.37211(13) 0.4986(2) 0.0332(7) Uani 1 1 d .
H19 H 0.5583 0.3842 0.5066 0.040 Uiso 1 1 calc R
C20 C 0.49887(11) 0.41048(14) 0.5761(3) 0.0445(8) Uani 1 1 d .
H20A H 0.4670 0.4004 0.5690 0.053 Uiso 1 1 calc R
H20B H 0.5034 0.4546 0.5621 0.053 Uiso 1 1 calc R
H20C H 0.5088 0.4010 0.6466 0.053 Uiso 1 1 calc R
C21 C 0.51204(11) 0.38803(16) 0.3882(2) 0.0468(9) Uani 1 1 d .
H21A H 0.5294 0.3631 0.3392 0.056 Uiso 1 1 calc R
H21B H 0.5176 0.4321 0.3751 0.056 Uiso 1 1 calc R
H21C H 0.4801 0.3792 0.3793 0.056 Uiso 1 1 calc R
C22 C 0.58155(10) 0.31418(13) 0.7551(2) 0.0316(7) Uani 1 1 d .
H22A H 0.5524 0.3306 0.7334 0.038 Uiso 1 1 calc R
H22B H 0.5929 0.3385 0.8136 0.038 Uiso 1 1 calc R
H22C H 0.5782 0.2709 0.7762 0.038 Uiso 1 1 calc R
C23 C 0.73688(9) 0.36519(14) 0.6721(2) 0.0359(7) Uani 1 1 d .
H23A H 0.7612 0.3624 0.6213 0.043 Uiso 1 1 calc R
H23B H 0.7438 0.3388 0.7316 0.043 Uiso 1 1 calc R
H23C H 0.7337 0.4082 0.6952 0.043 Uiso 1 1 calc R
C24 C 0.72407(11) 0.43408(13) 0.4018(2) 0.0386(8) Uani 1 1 d .
H24 H 0.6932 0.4276 0.4298 0.046 Uiso 1 1 calc R
C25 C 0.71977(11) 0.45984(15) 0.2924(3) 0.0495(9) Uani 1 1 d .
H25A H 0.7494 0.4716 0.2666 0.059 Uiso 1 1 calc R
H25B H 0.7002 0.4963 0.2932 0.059 Uiso 1 1 calc R
H25C H 0.7069 0.4282 0.2470 0.059 Uiso 1 1 calc R
C26 C 0.74777(16) 0.48169(15) 0.4704(3) 0.0712(13) Uani 1 1 d .
H26A H 0.7515 0.4647 0.5402 0.085 Uiso 1 1 calc R
H26B H 0.7298 0.5196 0.4738 0.085 Uiso 1 1 calc R
H26C H 0.7772 0.4913 0.4411 0.085 Uiso 1 1 calc R
C27 C 0.74027(9) 0.21110(12) 0.5315(2) 0.0315(7) Uani 1 1 d .
H27 H 0.7092 0.2204 0.5557 0.038 Uiso 1 1 calc R
C28 C 0.73881(12) 0.15029(14) 0.4717(3) 0.0477(9) Uani 1 1 d .
H28A H 0.7208 0.1557 0.4088 0.057 Uiso 1 1 calc R
H28B H 0.7254 0.1181 0.5151 0.057 Uiso 1 1 calc R
H28C H 0.7693 0.1380 0.4526 0.057 Uiso 1 1 calc R
C29 C 0.76981(12) 0.20463(16) 0.6267(3) 0.0501(9) Uani 1 1 d .
H29A H 0.8008 0.1974 0.6051 0.060 Uiso 1 1 calc R
H29B H 0.7594 0.1696 0.6685 0.060 Uiso 1 1 calc R
H29C H 0.7682 0.2427 0.6678 0.060 Uiso 1 1 calc R
C30 C 0.61507(9) 0.39899(12) 0.1817(2) 0.0244(6) Uani 1 1 d .
C31 C 0.60533(9) 0.45938(12) 0.2128(2) 0.0285(6) Uani 1 1 d .
H31 H 0.5996 0.4675 0.2839 0.034 Uiso 1 1 calc R
C32 C 0.60379(10) 0.50789(13) 0.1422(2) 0.0337(7) Uani 1 1 d .
H32 H 0.5966 0.5485 0.1652 0.040 Uiso 1 1 calc R
C33 C 0.61265(10) 0.49727(13) 0.0383(2) 0.0332(7) Uani 1 1 d .
H33 H 0.6121 0.5301 -0.0106 0.040 Uiso 1 1 calc R
C34 C 0.62216(10) 0.43787(13) 0.0086(2) 0.0304(6) Uani 1 1 d .
C35 C 0.62304(9) 0.38879(12) 0.0762(2) 0.0269(6) Uani 1 1 d .
H35 H 0.6290 0.3482 0.0515 0.032 Uiso 1 1 calc R
C36 C 0.63879(9) 0.17105(12) 0.2198(2) 0.0276(6) Uani 1 1 d .
C37 C 0.63329(10) 0.16937(13) 0.1123(2) 0.0322(7) Uani 1 1 d .
H37 H 0.6288 0.2070 0.0758 0.039 Uiso 1 1 calc R
C38 C 0.63421(10) 0.11417(14) 0.0575(2) 0.0380(7) Uani 1 1 d .
H38 H 0.6299 0.1144 -0.0153 0.046 Uiso 1 1 calc R
C39 C 0.64129(11) 0.05884(14) 0.1084(3) 0.0417(8) Uani 1 1 d .
H39 H 0.6419 0.0207 0.0717 0.050 Uiso 1 1 calc R
C40 C 0.64735(10) 0.06065(13) 0.2137(3) 0.0372(7) Uani 1 1 d .
C41 C 0.64641(9) 0.11455(12) 0.2704(2) 0.0311(7) Uani 1 1 d .
H41 H 0.6509 0.1135 0.3432 0.037 Uiso 1 1 calc R
C51 C 0.5185(13) -0.006(2) 0.497(5) 0.202(17) Uiso 0.25 1 d P
C52 C 0.5199(7) 0.2067(13) 0.2692(18) 0.052(6) Uiso 0.25 1 d P
C53 C 0.5198(7) 0.2248(10) 0.2560(19) 0.063(7) Uiso 0.25 1 d P
C54 C 0.5165(6) 0.1780(11) 0.2604(16) 0.056(5) Uiso 0.25 1 d P
C55 C 0.5085(17) 0.1402(19) 0.263(5) 0.138(13) Uiso 0.25 1 d P
C56 C 0.5161(12) 0.0936(17) 0.229(4) 0.126(12) Uiso 0.25 1 d P
C57 C 0.5072(14) 0.1028(18) 0.298(3) 0.095(8) Uiso 0.25 1 d P
C58 C 0.5190(10) 0.0738(18) 0.324(2) 0.120(11) Uiso 0.25 1 d P
C59 C 0.5123(9) 0.0283(10) 0.268(2) 0.107(8) Uiso 0.25 1 d P
C60 C 0.5279(10) 0.0178(13) 0.335(2) 0.110(8) Uiso 0.25 1 d P
C61 C 0.5010(12) 0.0183(13) 0.403(3) 0.142(10) Uiso 0.25 1 d P
C62 C 0.5431(8) -0.0102(10) 0.4089(19) 0.094(6) Uiso 0.25 1 d 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'
B B 0.0013 0.0007 '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'
F F 0.0171 0.0103 '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
O3 Al1 O2 103.52(9) . .
O3 Al1 N1 114.49(10) . .
O2 Al1 N1 115.12(10) . .
O3 Al1 N2 114.31(9) . .
O2 Al1 N2 111.23(9) . .
N1 Al1 N2 98.63(10) . .
B1 O1 B2 125.7(2) . .
B1 O2 Al1 122.39(17) . .
B2 O3 Al1 123.07(17) . .
C7 N1 C6 118.4(2) . .
C7 N1 Al1 122.96(18) . .
C6 N1 Al1 118.59(17) . .
C9 N2 C10 119.4(2) . .
C9 N2 Al1 123.68(18) . .
C10 N2 Al1 116.71(16) . .
O2 B1 O1 122.6(2) . .
O2 B1 C30 120.9(2) . .
O1 B1 C30 116.5(2) . .
O3 B2 O1 122.2(2) . .
O3 B2 C36 121.9(2) . .
O1 B2 C36 115.9(2) . .
C2 C1 C6 117.7(3) . .
C2 C1 C16 119.6(3) . .
C6 C1 C16 122.7(3) . .
C3 C2 C1 121.4(3) . .
C3 C2 H2 119.3 . .
C1 C2 H2 119.3 . .
C4 C3 C2 120.1(3) . .
C4 C3 H3 120.0 . .
C2 C3 H3 120.0 . .
C3 C4 C5 121.3(3) . .
C3 C4 H4 119.3 . .
C5 C4 H4 119.3 . .
C4 C5 C6 117.8(3) . .
C4 C5 C19 119.4(3) . .
C6 C5 C19 122.8(2) . .
C5 C6 C1 121.6(2) . .
C5 C6 N1 119.5(2) . .
C1 C6 N1 118.9(2) . .
N1 C7 C8 122.9(2) . .
N1 C7 C22 119.9(2) . .
C8 C7 C22 117.2(2) . .
C7 C8 C9 128.2(3) . .
C7 C8 H8 115.9 . .
C9 C8 H8 115.9 . .
N2 C9 C8 122.2(2) . .
N2 C9 C23 121.5(2) . .
C8 C9 C23 116.2(2) . .
C15 C10 C11 122.1(2) . .
C15 C10 N2 117.7(2) . .
C11 C10 N2 120.2(2) . .
C12 C11 C10 117.4(3) . .
C12 C11 C24 120.3(3) . .
C10 C11 C24 122.3(2) . .
C13 C12 C11 121.7(3) . .
C13 C12 H12 119.2 . .
C11 C12 H12 119.2 . .
C14 C13 C12 119.7(3) . .
C14 C13 H13 120.1 . .
C12 C13 H13 120.1 . .
C13 C14 C15 121.5(3) . .
C13 C14 H14 119.3 . .
C15 C14 H14 119.3 . .
C14 C15 C10 117.7(2) . .
C14 C15 C27 119.8(2) . .
C10 C15 C27 122.5(2) . .
C18 C16 C1 111.3(3) . .
C18 C16 C17 109.9(3) . .
C1 C16 C17 112.5(3) . .
C18 C16 H16 107.7 . .
C1 C16 H16 107.7 . .
C17 C16 H16 107.7 . .
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 . .
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 . .
C5 C19 C21 112.7(3) . .
C5 C19 C20 111.2(2) . .
C21 C19 C20 110.0(2) . .
C5 C19 H19 107.6 . .
C21 C19 H19 107.6 . .
C20 C19 H19 107.6 . .
C19 C20 H20A 109.5 . .
C19 C20 H20B 109.5 . .
H20A C20 H20B 109.5 . .
C19 C20 H20C 109.5 . .
H20A C20 H20C 109.5 . .
H20B C20 H20C 109.5 . .
C19 C21 H21A 109.5 . .
C19 C21 H21B 109.5 . .
H21A C21 H21B 109.5 . .
C19 C21 H21C 109.5 . .
H21A C21 H21C 109.5 . .
H21B C21 H21C 109.5 . .
C7 C22 H22A 109.5 . .
C7 C22 H22B 109.5 . .
H22A C22 H22B 109.5 . .
C7 C22 H22C 109.5 . .
H22A C22 H22C 109.5 . .
H22B C22 H22C 109.5 . .
C9 C23 H23A 109.5 . .
C9 C23 H23B 109.5 . .
H23A C23 H23B 109.5 . .
C9 C23 H23C 109.5 . .
H23A C23 H23C 109.5 . .
H23B C23 H23C 109.5 . .
C11 C24 C25 112.4(3) . .
C11 C24 C26 110.9(3) . .
C25 C24 C26 109.3(3) . .
C11 C24 H24 108.0 . .
C25 C24 H24 108.0 . .
C26 C24 H24 108.0 . .
C24 C25 H25A 109.5 . .
C24 C25 H25B 109.5 . .
H25A C25 H25B 109.5 . .
C24 C25 H25C 109.5 . .
H25A C25 H25C 109.5 . .
H25B C25 H25C 109.5 . .
C24 C26 H26A 109.5 . .
C24 C26 H26B 109.5 . .
H26A C26 H26B 109.5 . .
C24 C26 H26C 109.5 . .
H26A C26 H26C 109.5 . .
H26B C26 H26C 109.5 . .
C15 C27 C29 110.6(2) . .
C15 C27 C28 112.5(2) . .
C29 C27 C28 110.3(3) . .
C15 C27 H27 107.7 . .
C29 C27 H27 107.7 . .
C28 C27 H27 107.7 . .
C27 C28 H28A 109.5 . .
C27 C28 H28B 109.5 . .
H28A C28 H28B 109.5 . .
C27 C28 H28C 109.5 . .
H28A C28 H28C 109.5 . .
H28B C28 H28C 109.5 . .
C27 C29 H29A 109.5 . .
C27 C29 H29B 109.5 . .
H29A C29 H29B 109.5 . .
C27 C29 H29C 109.5 . .
H29A C29 H29C 109.5 . .
H29B C29 H29C 109.5 . .
C31 C30 C35 117.6(2) . .
C31 C30 B1 120.8(2) . .
C35 C30 B1 121.4(2) . .
C32 C31 C30 121.5(3) . .
C32 C31 H31 119.3 . .
C30 C31 H31 119.3 . .
C33 C32 C31 120.3(3) . .
C33 C32 H32 119.9 . .
C31 C32 H32 119.9 . .
C34 C33 C32 117.7(3) . .
C34 C33 H33 121.1 . .
C32 C33 H33 121.1 . .
F1 C34 C33 118.3(2) . .
F1 C34 C35 118.4(2) . .
C33 C34 C35 123.3(3) . .
C34 C35 C30 119.6(3) . .
C34 C35 H35 120.2 . .
C30 C35 H35 120.2 . .
C37 C36 C41 117.3(3) . .
C37 C36 B2 121.7(2) . .
C41 C36 B2 121.0(3) . .
C38 C37 C36 121.8(3) . .
C38 C37 H37 119.1 . .
C36 C37 H37 119.1 . .
C39 C38 C37 120.3(3) . .
C39 C38 H38 119.8 . .
C37 C38 H38 119.8 . .
C40 C39 C38 117.8(3) . .
C40 C39 H39 121.1 . .
C38 C39 H39 121.1 . .
F2 C40 C39 118.6(3) . .
F2 C40 C41 118.1(3) . .
C39 C40 C41 123.3(3) . .
C40 C41 C36 119.4(3) . .
C40 C41 H41 120.3 . .
C36 C41 H41 120.3 . .
C51 C51 C62 126(7) 5_656 .
C51 C51 C61 67(5) 5_656 .
C62 C51 C61 60(3) . .
C51 C51 C61 66(5) 5_656 5_656
C62 C51 C61 164(4) . 5_656
C61 C51 C61 133(3) . 5_656
C54 C52 C53 96(3) . 3_655
C54 C52 C52 78(3) . 3_655
C53 C52 C52 19.0(15) 3_655 3_655
C54 C52 C54 50(3) . 3_655
C53 C52 C54 46.1(15) 3_655 3_655
C52 C52 C54 28.5(11) 3_655 3_655
C54 C52 C55 8(4) . .
C53 C52 C55 94(2) 3_655 .
C52 C52 C55 76.4(19) 3_655 .
C54 C52 C55 48(2) 3_655 .
C54 C52 C55 21(3) . 3_655
C53 C52 C55 75(2) 3_655 3_655
C52 C52 C55 56.8(17) 3_655 3_655
C54 C52 C55 28.7(17) 3_655 3_655
C55 C52 C55 20(3) . 3_655
C54 C53 C53 84.9(13) . 3_655
C54 C53 C52 68(2) . 3_655
C53 C53 C52 19.2(15) 3_655 3_655
C54 C53 C54 42.8(17) . 3_655
C53 C53 C54 42.6(12) 3_655 3_655
C52 C53 C54 25.2(13) 3_655 3_655
C54 C53 C55 5(2) . .
C53 C53 C55 80.0(16) 3_655 .
C52 C53 C55 63(2) 3_655 .
C54 C53 C55 38.0(17) 3_655 .
C54 C53 C55 21.7(16) . 3_655
C53 C53 C55 64.6(15) 3_655 3_655
C52 C53 C55 46.7(19) 3_655 3_655
C54 C53 C55 22.0(15) 3_655 3_655
C55 C53 C55 17(3) . 3_655
C52 C54 C55 166(7) . .
C52 C54 C53 14(3) . .
C55 C54 C53 169(4) . .
C52 C54 C54 102(3) . 3_655
C55 C54 C54 75(4) . 3_655
C53 C54 C54 94.6(14) . 3_655
C52 C54 C55 147(4) . 3_655
C55 C54 C55 31(5) . 3_655
C53 C54 C55 139(3) . 3_655
C54 C54 C55 46(2) 3_655 3_655
C52 C54 C52 74(4) . 3_655
C55 C54 C52 103(4) . 3_655
C53 C54 C52 66.0(16) . 3_655
C54 C54 C52 28.6(11) 3_655 3_655
C55 C54 C52 74(2) 3_655 3_655
C52 C54 C53 59(3) . 3_655
C55 C54 C53 117(4) . 3_655
C53 C54 C53 52.5(19) . 3_655
C54 C54 C53 42.6(12) 3_655 3_655
C55 C54 C53 88(3) 3_655 3_655
C52 C54 C53 15.6(15) 3_655 3_655
C52 C54 C57 154(4) . .
C55 C54 C57 16(4) . .
C53 C54 C57 166(2) . .
C54 C54 C57 85.3(16) 3_655 .
C55 C54 C57 45(2) 3_655 .
C52 C54 C57 113.4(19) 3_655 .
C53 C54 C57 124(2) 3_655 .
C52 C54 C56 171(4) . .
C55 C54 C56 21(5) . .
C53 C54 C56 163(2) . .
C54 C54 C56 86.4(15) 3_655 .
C55 C54 C56 41(2) 3_655 .
C52 C54 C56 113.2(19) 3_655 .
C53 C54 C56 129(2) 3_655 .
C57 C54 C56 30.3(11) . .
C52 C54 C57 161(4) . 3_655
C55 C54 C57 26(4) . 3_655
C53 C54 C57 149(2) . 3_655
C54 C54 C57 62.8(15) 3_655 3_655
C55 C54 C57 20(3) 3_655 3_655
C52 C54 C57 89.0(16) 3_655 3_655
C53 C54 C57 104.4(18) 3_655 3_655
C57 C54 C57 41(2) . 3_655
C56 C54 C57 24.3(12) . 3_655
C55 C55 C54 103(5) 3_655 .
C55 C55 C57 103(7) 3_655 .
C54 C55 C57 150(8) . .
C55 C55 C56 88(6) 3_655 .
C54 C55 C56 143(8) . .
C57 C55 C56 54(3) . .
C55 C55 C54 46(3) 3_655 3_655
C54 C55 C54 59(3) . 3_655
C57 C55 C54 136(7) . 3_655
C56 C55 C54 132(5) . 3_655
C55 C55 C57 48(5) 3_655 3_655
C54 C55 C57 137(6) . 3_655
C57 C55 C57 74(5) . 3_655
C56 C55 C57 40(3) . 3_655
C54 C55 C57 93(3) 3_655 3_655
C55 C55 C56 63(5) 3_655 3_655
C54 C55 C56 160(6) . 3_655
C57 C55 C56 40(3) . 3_655
C56 C55 C56 55(4) . 3_655
C54 C55 C56 102(4) 3_655 3_655
C57 C55 C56 45(2) 3_655 3_655
C55 C55 C52 103(2) 3_655 .
C54 C55 C52 6(3) . .
C57 C55 C52 146(6) . .
C56 C55 C52 148(6) . .
C54 C55 C52 58.2(17) 3_655 .
C57 C55 C52 141(4) 3_655 .
C56 C55 C52 156(4) 3_655 .
C55 C55 C58 114(5) 3_655 .
C54 C55 C58 142(5) . .
C57 C55 C58 13(3) . .
C56 C55 C58 51(3) . .
C54 C55 C58 149(5) 3_655 .
C57 C55 C58 79(2) 3_655 .
C56 C55 C58 51(3) 3_655 .
C52 C55 C58 140(4) . .
C55 C55 C52 57.0(19) 3_655 3_655
C54 C55 C52 48(3) . 3_655
C57 C55 C52 145(6) . 3_655
C56 C55 C52 139(5) . 3_655
C54 C55 C52 11.6(14) 3_655 3_655
C57 C55 C52 102(3) 3_655 3_655
C56 C55 C52 114(4) 3_655 3_655
C52 C55 C52 46.8(18) . 3_655
C58 C55 C52 158(4) . 3_655
C55 C55 C53 97(2) 3_655 .
C54 C55 C53 6(2) . .
C57 C55 C53 152(6) . .
C56 C55 C53 146(6) . .
C54 C55 C53 53.6(18) 3_655 .
C57 C55 C53 134(4) 3_655 .
C56 C55 C53 154(4) 3_655 .
C52 C55 C53 6.6(15) . .
C58 C55 C53 146(3) . .
C52 C55 C53 42.0(10) 3_655 .
C55 C55 C58 50(4) 3_655 3_655
C54 C55 C58 142(6) . 3_655
C57 C55 C58 68(4) . 3_655
C56 C55 C58 39(3) . 3_655
C54 C55 C58 96(3) 3_655 3_655
C57 C55 C58 6(2) 3_655 3_655
C56 C55 C58 40(3) 3_655 3_655
C52 C55 C58 146(4) . 3_655
C58 C55 C58 74(2) . 3_655
C52 C55 C58 105(3) 3_655 3_655
C53 C55 C58 139(3) . 3_655
C57 C56 C57 96(6) 3_655 .
C57 C56 C56 57(4) 3_655 3_655
C57 C56 C56 45(3) . 3_655
C57 C56 C55 77(6) 3_655 .
C57 C56 C55 53(4) . .
C56 C56 C55 69(4) 3_655 .
C57 C56 C55 48(4) 3_655 3_655
C57 C56 C55 65(5) . 3_655
C56 C56 C55 56(2) 3_655 3_655
C55 C56 C55 29(5) . 3_655
C57 C56 C58 123(6) 3_655 .
C57 C56 C58 37(3) . .
C56 C56 C58 66(4) 3_655 .
C55 C56 C58 87(4) . .
C55 C56 C58 103(5) 3_655 .
C57 C56 C58 34(4) 3_655 3_655
C57 C56 C58 109(4) . 3_655
C56 C56 C58 64(4) 3_655 3_655
C55 C56 C58 109(4) . 3_655
C55 C56 C58 81(4) 3_655 3_655
C58 C56 C58 116(3) . 3_655
C57 C56 C59 108(5) 3_655 .
C57 C56 C59 82(4) . .
C56 C56 C59 77(2) 3_655 .
C55 C56 C59 135(5) . .
C55 C56 C59 133(3) 3_655 .
C58 C56 C59 52(2) . .
C58 C56 C59 79(3) 3_655 .
C57 C56 C59 77(4) 3_655 3_655
C57 C56 C59 91(4) . 3_655
C56 C56 C59 62.5(18) 3_655 3_655
C55 C56 C59 131(4) . 3_655
C55 C56 C59 113(3) 3_655 3_655
C58 C56 C59 74(3) . 3_655
C58 C56 C59 48(2) 3_655 3_655
C59 C56 C59 32(2) . 3_655
C57 C56 C54 82(5) 3_655 .
C57 C56 C54 66(4) . .
C56 C56 C54 84.2(15) 3_655 .
C55 C56 C54 16(4) . .
C55 C56 C54 37(2) 3_655 .
C58 C56 C54 97(3) . .
C58 C56 C54 116(3) 3_655 .
C59 C56 C54 148(3) . .
C59 C56 C54 147(2) 3_655 .
C58 C57 C56 112(7) . 3_655
C58 C57 C55 151(7) . .
C56 C57 C55 93(7) 3_655 .
C58 C57 C56 96(6) . .
C56 C57 C56 78(5) 3_655 .
C55 C57 C56 73(5) . .
C58 C57 C55 166(5) . 3_655
C56 C57 C55 64(5) 3_655 3_655
C55 C57 C55 29(5) . 3_655
C56 C57 C55 69(5) . 3_655
C58 C57 C57 123(4) . 3_655
C56 C57 C57 46(4) 3_655 3_655
C55 C57 C57 63(4) . 3_655
C56 C57 C57 38(3) . 3_655
C55 C57 C57 43(2) 3_655 3_655
C58 C57 C59 45(3) . .
C56 C57 C59 75(4) 3_655 .
C55 C57 C59 136(5) . .
C56 C57 C59 63(4) . .
C55 C57 C59 122(3) 3_655 .
C57 C57 C59 79.1(18) 3_655 .
C58 C57 C54 142(5) . .
C56 C57 C54 105(6) 3_655 .
C55 C57 C54 14(4) . .
C56 C57 C54 84(4) . .
C55 C57 C54 41.8(18) 3_655 .
C57 C57 C54 77.8(15) 3_655 .
C59 C57 C54 147(3) . .
C58 C57 C58 106(5) . 3_655
C56 C57 C58 36(4) 3_655 3_655
C55 C57 C58 84(4) . 3_655
C56 C57 C58 42(3) . 3_655
C55 C57 C58 61(2) 3_655 3_655
C57 C57 C58 20.9(14) 3_655 3_655
C59 C57 C58 61(2) . 3_655
C54 C57 C58 98.6(18) . 3_655
C58 C57 C59 70(4) . 3_655
C56 C57 C59 48(4) 3_655 3_655
C55 C57 C59 122(5) . 3_655
C56 C57 C59 60(4) . 3_655
C55 C57 C59 99(3) 3_655 3_655
C57 C57 C59 58.8(15) 3_655 3_655
C59 C57 C59 27.0(16) . 3_655
C54 C57 C59 136(2) . 3_655
C58 C57 C59 38.4(15) 3_655 3_655
C58 C57 C54 174(5) . 3_655
C56 C57 C54 74(5) 3_655 3_655
C55 C57 C54 24(4) . 3_655
C56 C57 C54 85(4) . 3_655
C55 C57 C54 18(2) 3_655 3_655
C57 C57 C54 60.7(15) 3_655 3_655
C59 C57 C54 140(3) . 3_655
C54 C57 C54 31.9(13) . 3_655
C58 C57 C54 78.5(14) 3_655 3_655
C59 C57 C54 115(2) 3_655 3_655
C58 C57 C60 15(3) . .
C56 C57 C60 98(5) 3_655 .
C55 C57 C60 155(5) . .
C56 C57 C60 87(4) . .
C55 C57 C60 152(3) 3_655 .
C57 C57 C60 109.3(15) 3_655 .
C59 C57 C60 30.4(13) . .
C54 C57 C60 153(3) . .
C58 C57 C60 91(2) 3_655 .
C59 C57 C60 55.0(15) 3_655 .
C54 C57 C60 170(2) 3_655 .
C57 C58 C59 108(5) . .
C57 C58 C60 155(5) . .
C59 C58 C60 48(2) . .
C57 C58 C56 46(3) . .
C59 C58 C56 72(3) . .
C60 C58 C56 116(4) . .
C57 C58 C56 34(4) . 3_655
C59 C58 C56 80(3) . 3_655
C60 C58 C56 123(4) . 3_655
C56 C58 C56 50(3) . 3_655
C57 C58 C55 16(4) . .
C59 C58 C55 112(3) . .
C60 C58 C55 158(3) . .
C56 C58 C55 42(2) . .
C56 C58 C55 48(3) 3_655 .
C57 C58 C61 133(5) . .
C59 C58 C61 75(3) . .
C60 C58 C61 45.5(19) . .
C56 C58 C61 143(3) . .
C56 C58 C61 107(3) 3_655 .
C55 C58 C61 148(3) . .
C57 C58 C59 85(4) . 3_655
C59 C58 C59 25.5(18) . 3_655
C60 C58 C59 70(2) . 3_655
C56 C58 C59 62(2) . 3_655
C56 C58 C59 55(2) 3_655 3_655
C55 C58 C59 93(2) . 3_655
C61 C58 C59 81.0(19) . 3_655
C57 C58 C57 36(3) . 3_655
C59 C58 C57 73(3) . 3_655
C60 C58 C57 121(3) . 3_655
C56 C58 C57 21.1(19) . 3_655
C56 C58 C57 28.7(16) 3_655 3_655
C55 C58 C57 40(2) . 3_655
C61 C58 C57 129(2) . 3_655
C59 C58 C57 54.0(19) 3_655 3_655
C57 C58 C55 9(3) . 3_655
C59 C58 C55 100(3) . 3_655
C60 C58 C55 148(3) . 3_655
C56 C58 C55 38(3) . 3_655
C56 C58 C55 32(2) 3_655 3_655
C55 C58 C55 16(3) . 3_655
C61 C58 C55 137(3) . 3_655
C59 C58 C55 79(2) 3_655 3_655
C57 C58 C55 27.6(14) 3_655 3_655
C59 C59 C60 147(6) 3_655 .
C59 C59 C58 116(3) 3_655 .
C60 C59 C58 66(3) . .
C59 C59 C56 84(2) 3_655 .
C60 C59 C56 117(3) . .
C58 C59 C56 56(3) . .
C59 C59 C56 65(2) 3_655 3_655
C60 C59 C56 114(3) . 3_655
C58 C59 C56 52(2) . 3_655
C56 C59 C56 41(2) . 3_655
C59 C59 C57 92.5(19) 3_655 .
C60 C59 C57 93(3) . .
C58 C59 C57 27.1(18) . .
C56 C59 C57 34.3(14) . .
C56 C59 C57 28.0(14) 3_655 .
C59 C59 C61 111(5) 3_655 .
C60 C59 C61 39(2) . .
C58 C59 C61 64(2) . .
C56 C59 C61 117(3) . .
C56 C59 C61 89(2) 3_655 .
C57 C59 C61 83(2) . .
C59 C59 C58 38(2) 3_655 3_655
C60 C59 C58 158(3) . 3_655
C58 C59 C58 92(3) . 3_655
C56 C59 C58 46(2) . 3_655
C56 C59 C58 44(2) 3_655 3_655
C57 C59 C58 65(2) . 3_655
C61 C59 C58 127(2) . 3_655
C59 C59 C60 18(3) 3_655 3_655
C60 C59 C60 156(3) . 3_655
C58 C59 C60 130(3) . 3_655
C56 C59 C60 86(2) . 3_655
C56 C59 C60 77(2) 3_655 3_655
C57 C59 C60 103(2) . 3_655
C61 C59 C60 125.2(19) . 3_655
C58 C59 C60 40.5(12) 3_655 3_655
C59 C59 C57 60.5(16) 3_655 3_655
C60 C59 C57 135(3) . 3_655
C58 C59 C57 69(3) . 3_655
C56 C59 C57 23.5(16) . 3_655
C56 C59 C57 29.7(12) 3_655 3_655
C57 C59 C57 42(3) . 3_655
C61 C59 C57 118(2) . 3_655
C58 C59 C57 24.5(12) 3_655 3_655
C60 C59 C57 65.0(15) 3_655 3_655
C59 C60 C61 109(4) . .
C59 C60 C62 163(4) . .
C61 C60 C62 71(3) . .
C59 C60 C58 66(3) . .
C61 C60 C58 86(3) . .
C62 C60 C58 131(3) . .
C59 C60 C59 15(3) . 3_655
C61 C60 C59 95(3) . 3_655
C62 C60 C59 153(3) . 3_655
C58 C60 C59 70(2) . 3_655
C59 C60 C57 56(2) . .
C61 C60 C57 88(3) . .
C62 C60 C57 140(3) . .
C58 C60 C57 10(2) . .
C59 C60 C57 60.0(14) 3_655 .
C60 C61 C62 55(2) . .
C60 C61 C51 112(4) . .
C62 C61 C51 58(2) . .
C60 C61 C51 159(4) . 5_656
C62 C61 C51 104(3) . 5_656
C51 C61 C51 47(3) . 5_656
C60 C61 C58 48(2) . .
C62 C61 C58 93(3) . .
C51 C61 C58 132(3) . .
C51 C61 C58 144(3) 5_656 .
C60 C61 C59 32.1(19) . .
C62 C61 C59 86(3) . .
C51 C61 C59 144(4) . .
C51 C61 C59 166(3) 5_656 .
C58 C61 C59 41.7(15) . .
C60 C62 C51 115(3) . .
C60 C62 C61 53.7(18) . .
C51 C62 C61 62(3) . .
loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_site_symmetry_2
Al1 O3 1.7386(19) .
Al1 O2 1.7398(19) .
Al1 N1 1.865(2) .
Al1 N2 1.870(2) .
F1 C34 1.367(3) .
F2 C40 1.369(3) .
O1 B1 1.392(3) .
O1 B2 1.397(3) .
O2 B1 1.346(4) .
O3 B2 1.345(4) .
N1 C7 1.348(3) .
N1 C6 1.451(3) .
N2 C9 1.340(3) .
N2 C10 1.460(3) .
B1 C30 1.571(4) .
B2 C36 1.572(4) .
C1 C2 1.394(4) .
C1 C6 1.405(4) .
C1 C16 1.526(4) .
C2 C3 1.375(4) .
C2 H2 0.9500 .
C3 C4 1.373(4) .
C3 H3 0.9500 .
C4 C5 1.395(4) .
C4 H4 0.9500 .
C5 C6 1.401(4) .
C5 C19 1.517(4) .
C7 C8 1.394(4) .
C7 C22 1.500(4) .
C8 C9 1.398(4) .
C8 H8 0.9500 .
C9 C23 1.504(4) .
C10 C15 1.403(4) .
C10 C11 1.404(4) .
C11 C12 1.390(4) .
C11 C24 1.522(4) .
C12 C13 1.381(4) .
C12 H12 0.9500 .
C13 C14 1.379(4) .
C13 H13 0.9500 .
C14 C15 1.390(4) .
C14 H14 0.9500 .
C15 C27 1.516(4) .
C16 C18 1.514(4) .
C16 C17 1.527(4) .
C16 H16 1.0000 .
C17 H17A 0.9800 .
C17 H17B 0.9800 .
C17 H17C 0.9800 .
C18 H18A 0.9800 .
C18 H18B 0.9800 .
C18 H18C 0.9800 .
C19 C21 1.527(4) .
C19 C20 1.533(4) .
C19 H19 1.0000 .
C20 H20A 0.9800 .
C20 H20B 0.9800 .
C20 H20C 0.9800 .
C21 H21A 0.9800 .
C21 H21B 0.9800 .
C21 H21C 0.9800 .
C22 H22A 0.9800 .
C22 H22B 0.9800 .
C22 H22C 0.9800 .
C23 H23A 0.9800 .
C23 H23B 0.9800 .
C23 H23C 0.9800 .
C24 C25 1.524(4) .
C24 C26 1.531(5) .
C24 H24 1.0000 .
C25 H25A 0.9800 .
C25 H25B 0.9800 .
C25 H25C 0.9800 .
C26 H26A 0.9800 .
C26 H26B 0.9800 .
C26 H26C 0.9800 .
C27 C29 1.520(4) .
C27 C28 1.525(4) .
C27 H27 1.0000 .
C28 H28A 0.9800 .
C28 H28B 0.9800 .
C28 H28C 0.9800 .
C29 H29A 0.9800 .
C29 H29B 0.9800 .
C29 H29C 0.9800 .
C30 C31 1.396(4) .
C30 C35 1.401(4) .
C31 C32 1.390(4) .
C31 H31 0.9500 .
C32 C33 1.388(4) .
C32 H32 0.9500 .
C33 C34 1.369(4) .
C33 H33 0.9500 .
C34 C35 1.373(4) .
C35 H35 0.9500 .
C36 C37 1.400(4) .
C36 C41 1.403(4) .
C37 C38 1.387(4) .
C37 H37 0.9500 .
C38 C39 1.380(4) .
C38 H38 0.9500 .
C39 C40 1.373(4) .
C39 H39 0.9500 .
C40 C41 1.376(4) .
C41 H41 0.9500 .
C51 C51 1.14(8) 5_656
C51 C62 1.36(5) .
C51 C61 1.42(6) .
C51 C61 1.43(6) 5_656
C52 C54 0.64(3) .
C52 C53 1.291(19) 3_655
C52 C52 1.29(4) 3_655
C52 C54 1.31(2) 3_655
C52 C55 1.48(4) .
C52 C55 1.72(4) 3_655
C53 C54 1.02(3) .
C53 C53 1.19(4) 3_655
C53 C52 1.291(19) 3_655
C53 C54 1.50(3) 3_655
C53 C55 1.86(4) .
C53 C55 2.03(4) 3_655
C54 C55 0.85(3) .
C54 C54 1.02(4) 3_655
C54 C55 1.15(4) 3_655
C54 C52 1.31(2) 3_655
C54 C53 1.50(3) 3_655
C54 C57 1.72(4) .
C54 C56 1.87(4) .
C54 C57 1.92(4) 3_655
C55 C55 0.60(9) 3_655
C55 C57 0.93(4) .
C55 C56 1.12(5) .
C55 C54 1.15(4) 3_655
C55 C57 1.22(6) 3_655
C55 C56 1.25(6) 3_655
C55 C58 1.67(5) .
C55 C52 1.72(4) 3_655
C55 C58 1.99(5) 3_655
C56 C57 0.80(4) 3_655
C56 C57 0.95(3) .
C56 C56 1.10(6) 3_655
C56 C55 1.25(6) 3_655
C56 C58 1.30(6) .
C56 C58 1.32(6) 3_655
C56 C59 1.50(4) .
C56 C59 1.65(4) 3_655
C57 C58 0.79(4) .
C57 C56 0.80(4) 3_655
C57 C55 1.22(6) 3_655
C57 C57 1.30(7) 3_655
C57 C59 1.66(4) .
C57 C58 1.86(5) 3_655
C57 C59 1.91(4) 3_655
C57 C54 1.92(4) 3_655
C57 C60 2.00(4) .
C58 C59 1.24(4) .
C58 C60 1.25(4) .
C58 C56 1.32(5) 3_655
C58 C61 1.67(4) .
C58 C59 1.80(4) 3_655
C58 C57 1.86(5) 3_655
C58 C55 1.99(5) 3_655
C59 C59 0.87(5) 3_655
C59 C60 1.01(3) .
C59 C56 1.65(4) 3_655
C59 C61 1.80(5) .
C59 C58 1.80(4) 3_655
C59 C60 1.80(5) 3_655
C59 C57 1.91(4) 3_655
C60 C61 1.19(4) .
C60 C62 1.22(3) .
C60 C59 1.80(5) 3_655
C61 C62 1.40(4) .
C61 C51 1.43(6) 5_656
