#------------------------------------------------------------------------------
#$Date: 2016-03-23 01:44:32 +0200 (Wed, 23 Mar 2016) $
#$Revision: 179153 $
#$URL: svn://www.crystallography.net/cod/cif/4/31/14/4311411.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_4311411
loop_
_publ_author_name
'Lydia Karmazin'
'Marinella Mazzanti'
'Jean-Philippe Bezombes'
'Christelle Gateau'
'Jacques Pécaut'
_publ_section_title
;
 Comparative Structural Studies of Iodide Complexes of Uranium(III) and
 Lanthanide(III) with Hexadentate Tetrapodal Neutral N-Donor Ligands
;
_journal_name_full               'Inorganic Chemistry'
_journal_page_first              5147
_journal_page_last               5158
_journal_paper_doi               10.1021/ic049538m
_journal_volume                  43
_journal_year                    2004
_chemical_formula_sum            'C23 H26 N10'
_chemical_formula_weight         442.54
_chemical_name_systematic
; 
 ? 
;
_space_group_IT_number           2
_symmetry_cell_setting           triclinic
_symmetry_space_group_name_Hall  '-P 1'
_symmetry_space_group_name_H-M   'P -1'
_atom_sites_solution_hydrogens   geom
_atom_sites_solution_primary     direct
_atom_sites_solution_secondary   difmap
_audit_creation_method           SHELXL-97
_cell_angle_alpha                99.9730(10)
_cell_angle_beta                 98.9520(10)
_cell_angle_gamma                91.9100(10)
_cell_formula_units_Z            4
_cell_length_a                   9.3452(7)
_cell_length_b                   12.7195(9)
_cell_length_c                   19.6942(14)
_cell_measurement_temperature    193(2)
_cell_volume                     2273.1(3)
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 1997)'
_computing_structure_solution    'SHELXS-97 (Sheldrick, 1990)'
_diffrn_ambient_temperature      193(2)
_diffrn_measured_fraction_theta_full 0.861
_diffrn_measured_fraction_theta_max 0.861
_diffrn_radiation_monochromator  graphite
_diffrn_radiation_source         'fine-focus sealed tube'
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_reflns_av_R_equivalents  0.0380
_diffrn_reflns_av_sigmaI/netI    0.0681
_diffrn_reflns_limit_h_max       12
_diffrn_reflns_limit_h_min       -10
_diffrn_reflns_limit_k_max       15
_diffrn_reflns_limit_k_min       -17
_diffrn_reflns_limit_l_max       26
_diffrn_reflns_limit_l_min       -26
_diffrn_reflns_number            14727
_diffrn_reflns_theta_full        28.94
_diffrn_reflns_theta_max         28.94
_diffrn_reflns_theta_min         2.10
_exptl_absorpt_coefficient_mu    0.084
_exptl_crystal_density_diffrn    1.293
_exptl_crystal_density_method    'not measured'
_exptl_crystal_F_000             936
_exptl_crystal_size_max          0.5
_exptl_crystal_size_mid          0.5
_exptl_crystal_size_min          0.5
_refine_diff_density_max         0.418
_refine_diff_density_min         -0.276
_refine_diff_density_rms         0.053
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   0.973
_refine_ls_hydrogen_treatment    mixed
_refine_ls_matrix_type           full
_refine_ls_number_parameters     595
_refine_ls_number_reflns         10343
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      0.973
_refine_ls_R_factor_all          0.1038
_refine_ls_R_factor_gt           0.0588
_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)+(0.0863P)²+0.0000P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1479
_refine_ls_wR_factor_ref         0.1615
_reflns_number_gt                5767
_reflns_number_total             10343
_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            ic049538msi20040408_103455_01.cif
_cod_data_source_block           struc_tpztn,(1)
_cod_database_code               4311411
loop_
_symmetry_equiv_pos_as_xyz
'x, y, z'
'-x, -y, -z'
loop_
_atom_site_label
_atom_site_type_symbol
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_U_iso_or_equiv
_atom_site_adp_type
_atom_site_occupancy
_atom_site_symmetry_multiplicity
_atom_site_calc_flag
_atom_site_refinement_flags
_atom_site_disorder_assembly
_atom_site_disorder_group
N1 N 0.51587(18) 0.45506(12) 0.35027(7) 0.0449(4) Uani 1 1 d . . .
N2 N 0.40600(15) 0.65590(11) 0.18846(7) 0.0326(3) Uani 1 1 d . . .
N3 N 0.7680(3) 0.56544(19) 0.49955(10) 0.0844(7) Uani 1 1 d . . .
N4 N 0.4750(2) 0.18032(14) 0.32697(9) 0.0530(5) Uani 1 1 d . . .
N5 N 0.29655(18) 0.92251(12) 0.16522(9) 0.0472(4) Uani 1 1 d . . .
N6 N 0.25491(17) 0.40393(12) 0.13685(8) 0.0419(4) Uani 1 1 d . . .
N7 N 0.9512(3) 0.5903(3) 0.40474(19) 0.1264(11) Uani 1 1 d . . .
N8 N 0.60354(19) 0.17180(14) 0.20742(9) 0.0531(5) Uani 1 1 d . . .
N9 N 0.44503(18) 0.87849(13) 0.05160(8) 0.0437(4) Uani 1 1 d . . .
N10 N 0.41740(19) 0.37597(13) 0.02773(8) 0.0502(4) Uani 1 1 d . . .
C1 C 0.6092(2) 0.43685(17) 0.41419(10) 0.0540(6) Uani 1 1 d . . .
H1A H 0.6409 0.3628 0.4065 0.065 Uiso 1 1 calc R . .
H1B H 0.5522 0.4443 0.4529 0.065 Uiso 1 1 calc R . .
C2 C 0.7400(3) 0.51320(17) 0.43474(10) 0.0531(6) Uani 1 1 d . . .
C3 C 0.8311(3) 0.5270(2) 0.38793(15) 0.0810(8) Uani 1 1 d . . .
H3 H 0.8065 0.4891 0.3413 0.097 Uiso 1 1 calc R . .
C4 C 0.9823(4) 0.6393(3) 0.4701(3) 0.1315(18) Uani 1 1 d . . .
H4 H 1.0695 0.6831 0.4856 0.158 Uiso 1 1 calc R . .
C5 C 0.8905(5) 0.6277(3) 0.5154(2) 0.1186(13) Uani 1 1 d . . .
H5 H 0.9151 0.6667 0.5617 0.142 Uiso 1 1 calc R . .
C6 C 0.4102(2) 0.36349(16) 0.32350(10) 0.0492(5) Uani 1 1 d . . .
H6A H 0.3372 0.3817 0.2859 0.059 Uiso 1 1 calc R . .
H6B H 0.3590 0.3490 0.3616 0.059 Uiso 1 1 calc R . .
C7 C 0.4805(2) 0.26458(15) 0.29541(9) 0.0416(5) Uani 1 1 d . . .
C8 C 0.5482(2) 0.25960(16) 0.23724(10) 0.0471(5) Uani 1 1 d . . .
H8 H 0.5555 0.3224 0.2176 0.056 Uiso 1 1 calc R . .
C9 C 0.5941(2) 0.08782(17) 0.23830(12) 0.0549(6) Uani 1 1 d . . .
H9 H 0.6293 0.0222 0.2185 0.066 Uiso 1 1 calc R . .
C10 C 0.5348(3) 0.09340(17) 0.29815(12) 0.0586(6) Uani 1 1 d . . .
H10 H 0.5363 0.0325 0.3201 0.070 Uiso 1 1 calc R . .
C11 C 0.3784(2) 0.76778(14) 0.21109(9) 0.0371(4) Uani 1 1 d . . .
H11A H 0.4563 0.7998 0.2500 0.045 Uiso 1 1 calc R . .
H11B H 0.2856 0.7707 0.2294 0.045 Uiso 1 1 calc R . .
C12 C 0.37091(19) 0.83436(13) 0.15459(9) 0.0333(4) Uani 1 1 d . . .
C13 C 0.4413(2) 0.81237(14) 0.09719(9) 0.0375(4) Uani 1 1 d . . .
H13 H 0.4889 0.7475 0.0900 0.045 Uiso 1 1 calc R . .
C14 C 0.3746(2) 0.96733(16) 0.06377(10) 0.0470(5) Uani 1 1 d . . .
H14 H 0.3762 1.0179 0.0336 0.056 Uiso 1 1 calc R . .
C15 C 0.2996(2) 0.98766(16) 0.11907(11) 0.0545(6) Uani 1 1 d . . .
H15 H 0.2478 1.0508 0.1246 0.065 Uiso 1 1 calc R . .
C16 C 0.27488(19) 0.59762(14) 0.14583(9) 0.0347(4) Uani 1 1 d . . .
H16A H 0.2364 0.6377 0.1088 0.042 Uiso 1 1 calc R . .
H16B H 0.1997 0.5928 0.1756 0.042 Uiso 1 1 calc R . .
C17 C 0.30552(19) 0.48715(14) 0.11275(9) 0.0337(4) Uani 1 1 d . . .
C18 C 0.3846(2) 0.47212(15) 0.05816(9) 0.0437(5) Uani 1 1 d . . .
H18 H 0.4170 0.5332 0.0417 0.052 Uiso 1 1 calc R . .
C19 C 0.3678(2) 0.29332(16) 0.05247(10) 0.0459(5) Uani 1 1 d . . .
H19 H 0.3886 0.2230 0.0328 0.055 Uiso 1 1 calc R . .
C20 C 0.2871(2) 0.30723(15) 0.10585(10) 0.0474(5) Uani 1 1 d . . .
H20 H 0.2528 0.2458 0.1213 0.057 Uiso 1 1 calc R . .
C21 C 0.4425(2) 0.55492(16) 0.36511(9) 0.0486(5) Uani 1 1 d . . .
H21A H 0.5153 0.6121 0.3908 0.058 Uiso 1 1 calc R . .
H21B H 0.3711 0.5450 0.3961 0.058 Uiso 1 1 calc R . .
C22 C 0.3645(2) 0.59128(16) 0.30028(9) 0.0419(5) Uani 1 1 d . . .
H22A H 0.3218 0.6603 0.3145 0.050 Uiso 1 1 calc R . .
H22B H 0.2840 0.5382 0.2775 0.050 Uiso 1 1 calc R . .
C23 C 0.46499(19) 0.60485(15) 0.24749(9) 0.0354(4) Uani 1 1 d . . .
H23A H 0.5537 0.6475 0.2730 0.042 Uiso 1 1 calc R . .
H23B H 0.4948 0.5332 0.2283 0.042 Uiso 1 1 calc R . .
N31 N 0.03318(19) 0.95590(13) 0.35822(8) 0.0482(4) Uani 1 1 d . . .
N32 N -0.08830(15) 0.67311(11) 0.18964(7) 0.0336(3) Uani 1 1 d . . .
C33 C 0.3508(3) 0.9138(2) 0.38018(11) 0.0631(6) Uani 1 1 d . . .
H33 H 0.3185 0.9315 0.3356 0.076 Uiso 1 1 calc R . .
N34 N -0.0683(2) 1.21416(15) 0.31912(10) 0.0689(6) Uani 1 1 d . . .
N35 N -0.22647(18) 0.39327(12) 0.15157(8) 0.0441(4) Uani 1 1 d . . .
N36 N -0.21615(18) 0.90472(13) 0.14756(8) 0.0450(4) Uani 1 1 d . . .
C35 C 0.4250(5) 0.8595(2) 0.50194(15) 0.1005(12) Uani 1 1 d . . .
H35 H 0.4529 0.8352 0.5448 0.121 Uiso 1 1 calc R . .
N38 N 0.1174(2) 1.16961(15) 0.22121(10) 0.0574(5) Uani 1 1 d . . .
N39 N -0.09432(17) 0.39390(13) 0.03398(8) 0.0417(4) Uani 1 1 d . . .
N40 N -0.0402(2) 0.88657(14) 0.04383(9) 0.0543(5) Uani 1 1 d . . .
C31 C 0.1362(3) 1.00715(19) 0.41949(11) 0.0626(7) Uani 1 1 d . . .
H31A H 0.0874 1.0166 0.4611 0.075 Uiso 1 1 calc R . .
H31B H 0.1690 1.0788 0.4127 0.075 Uiso 1 1 calc R . .
C32 C 0.2661(3) 0.94139(18) 0.43187(10) 0.0595(6) Uani 1 1 d . . .
N33 N 0.3009(3) 0.9140(2) 0.49381(10) 0.0896(8) Uani 1 1 d . . .
C34 C 0.5109(4) 0.8383(2) 0.45104(15) 0.0922(10) Uani 1 1 d . . .
H34 H 0.5988 0.8043 0.4607 0.111 Uiso 1 1 calc R . .
N37 N 0.4731(3) 0.86471(18) 0.38853(11) 0.0810(7) Uani 1 1 d . . .
C36 C -0.0746(3) 1.03291(18) 0.34005(12) 0.0615(6) Uani 1 1 d . . .
H36A H -0.1088 1.0675 0.3831 0.074 Uiso 1 1 calc R . .
H36B H -0.1592 0.9936 0.3082 0.074 Uiso 1 1 calc R . .
C37 C -0.0158(2) 1.11815(17) 0.30561(10) 0.0505(5) Uani 1 1 d . . .
C38 C 0.0798(3) 1.09775(18) 0.25794(11) 0.0579(6) Uani 1 1 d . . .
H38 H 0.1198 1.0297 0.2514 0.069 Uiso 1 1 calc R . .
C39 C 0.0608(2) 1.26345(18) 0.23403(12) 0.0571(6) Uani 1 1 d . . .
H39 H 0.0833 1.3174 0.2088 0.068 Uiso 1 1 calc R . .
C40 C -0.0294(3) 1.28512(19) 0.28261(13) 0.0725(7) Uani 1 1 d . . .
H40 H -0.0656 1.3543 0.2904 0.087 Uiso 1 1 calc R . .
C41 C -0.1273(2) 0.56987(14) 0.20629(9) 0.0376(4) Uani 1 1 d . . .
H41A H -0.2183 0.5752 0.2262 0.045 Uiso 1 1 calc R . .
H41B H -0.0503 0.5529 0.2426 0.045 Uiso 1 1 calc R . .
C42 C -0.14784(19) 0.47936(14) 0.14446(9) 0.0339(4) Uani 1 1 d . . .
C43 C -0.0846(2) 0.47909(15) 0.08507(9) 0.0378(4) Uani 1 1 d . . .
H43 H -0.0323 0.5422 0.0806 0.045 Uiso 1 1 calc R . .
C44 C -0.1683(2) 0.30836(16) 0.04319(10) 0.0426(5) Uani 1 1 d . . .
H44 H -0.1747 0.2447 0.0092 0.051 Uiso 1 1 calc R . .
C45 C -0.2364(2) 0.30862(15) 0.10048(11) 0.0476(5) Uani 1 1 d . . .
H45 H -0.2922 0.2463 0.1036 0.057 Uiso 1 1 calc R . .
C46 C -0.2127(2) 0.71417(14) 0.14922(9) 0.0370(4) Uani 1 1 d . . .
H46A H -0.2871 0.7326 0.1792 0.044 Uiso 1 1 calc R . .
H46B H -0.2563 0.6578 0.1095 0.044 Uiso 1 1 calc R . .
C47 C -0.1682(2) 0.81116(14) 0.12200(9) 0.0370(4) Uani 1 1 d . . .
C48 C -0.0813(2) 0.80316(16) 0.07012(10) 0.0460(5) Uani 1 1 d . . .
H48 H -0.0499 0.7349 0.0527 0.055 Uiso 1 1 calc R . .
C49 C -0.0902(2) 0.97933(17) 0.06936(11) 0.0520(5) Uani 1 1 d . . .
H49 H -0.0662 1.0412 0.0515 0.062 Uiso 1 1 calc R . .
C50 C -0.1756(2) 0.98864(16) 0.12087(11) 0.0514(5) Uani 1 1 d . . .
H50 H -0.2069 1.0571 0.1380 0.062 Uiso 1 1 calc R . .
C51 C -0.0383(3) 0.85900(17) 0.37171(10) 0.0564(6) Uani 1 1 d . . .
H51A H -0.1061 0.8799 0.4049 0.068 Uiso 1 1 calc R . .
H51B H 0.0360 0.8166 0.3941 0.068 Uiso 1 1 calc R . .
C52 C -0.1227(2) 0.78864(16) 0.30538(9) 0.0460(5) Uani 1 1 d . . .
H52B H -0.1697 0.7256 0.3181 0.055 Uiso 1 1 calc R . .
H52C H -0.2000 0.8297 0.2839 0.055 Uiso 1 1 calc R . .
C53 C -0.0238(2) 0.75100(15) 0.25224(9) 0.0385(4) Uani 1 1 d . . .
H53C H 0.0145 0.8147 0.2366 0.046 Uiso 1 1 calc R . .
H53A H 0.0601 0.7190 0.2765 0.046 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'
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
C6 N1 C21 111.10(16) . . ?
C6 N1 C1 109.75(15) . . ?
C21 N1 C1 109.90(14) . . ?
C11 N2 C16 110.35(14) . . ?
C11 N2 C23 112.10(13) . . ?
C16 N2 C23 112.71(13) . . ?
C2 N3 C5 115.0(3) . . ?
C7 N4 C10 115.91(17) . . ?
C15 N5 C12 115.97(16) . . ?
C17 N6 C20 115.97(15) . . ?
C4 N7 C3 116.2(3) . . ?
C9 N8 C8 115.50(17) . . ?
C14 N9 C13 115.90(16) . . ?
C19 N10 C18 115.76(16) . . ?
N1 C1 C2 112.49(17) . . ?
N3 C2 C3 120.6(3) . . ?
N3 C2 C1 118.1(2) . . ?
C3 C2 C1 121.3(2) . . ?
N7 C3 C2 123.2(3) . . ?
N7 C4 C5 120.3(3) . . ?
N3 C5 C4 124.6(3) . . ?
N1 C6 C7 112.27(16) . . ?
N4 C7 C8 120.28(18) . . ?
N4 C7 C6 118.61(16) . . ?
C8 C7 C6 121.10(17) . . ?
N8 C8 C7 123.54(18) . . ?
N8 C9 C10 121.5(2) . . ?
N4 C10 C9 123.1(2) . . ?
N2 C11 C12 114.38(14) . . ?
N5 C12 C13 120.80(16) . . ?
N5 C12 C11 115.04(15) . . ?
C13 C12 C11 124.06(16) . . ?
N9 C13 C12 122.82(17) . . ?
N9 C14 C15 121.59(18) . . ?
N5 C15 C14 122.82(19) . . ?
N2 C16 C17 111.64(14) . . ?
N6 C17 C18 120.86(16) . . ?
N6 C17 C16 118.60(15) . . ?
C18 C17 C16 120.54(16) . . ?
N10 C18 C17 123.08(17) . . ?
N10 C19 C20 121.63(18) . . ?
N6 C20 C19 122.68(18) . . ?
N1 C21 C22 114.01(15) . . ?
C21 C22 C23 112.81(16) . . ?
N2 C23 C22 116.87(14) . . ?
C31 N31 C51 110.76(16) . . ?
C31 N31 C36 108.79(17) . . ?
C51 N31 C36 110.74(17) . . ?
C41 N32 C46 110.97(14) . . ?
C41 N32 C53 112.32(13) . . ?
C46 N32 C53 112.13(14) . . ?
N37 C33 C32 124.7(2) . . ?
C40 N34 C37 116.06(19) . . ?
C45 N35 C42 116.67(15) . . ?
C47 N36 C50 116.24(16) . . ?
N33 C35 C34 123.2(3) . . ?
C39 N38 C38 115.63(19) . . ?
C44 N39 C43 115.80(15) . . ?
C48 N40 C49 115.46(17) . . ?
N31 C31 C32 111.31(18) . . ?
N33 C32 C33 120.6(3) . . ?
N33 C32 C31 118.6(2) . . ?
C33 C32 C31 120.7(2) . . ?
C32 N33 C35 114.8(3) . . ?
N37 C34 C35 121.2(3) . . ?
C33 N37 C34 115.2(3) . . ?
N31 C36 C37 113.26(18) . . ?
N34 C37 C38 120.6(2) . . ?
N34 C37 C36 116.34(19) . . ?
C38 C37 C36 122.9(2) . . ?
N38 C38 C37 122.7(2) . . ?
N38 C39 C40 121.9(2) . . ?
N34 C40 C39 123.0(2) . . ?
N32 C41 C42 113.91(14) . . ?
N35 C42 C43 120.41(16) . . ?
N35 C42 C41 115.18(14) . . ?
C43 C42 C41 124.31(16) . . ?
N39 C43 C42 122.79(17) . . ?
N39 C44 C45 122.11(18) . . ?
N35 C45 C44 122.12(18) . . ?
N32 C46 C47 111.39(15) . . ?
N36 C47 C48 120.78(17) . . ?
N36 C47 C46 118.39(15) . . ?
C48 C47 C46 120.82(16) . . ?
N40 C48 C47 123.07(18) . . ?
N40 C49 C50 122.15(19) . . ?
N36 C50 C49 122.29(19) . . ?
N31 C51 C52 113.28(16) . . ?
C53 C52 C51 111.79(16) . . ?
N32 C53 C52 117.08(14) . . ?
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
N1 C6 1.469(3) . ?
N1 C21 1.470(2) . ?
N1 C1 1.474(2) . ?
N2 C11 1.460(2) . ?
N2 C16 1.470(2) . ?
N2 C23 1.471(2) . ?
N3 C2 1.315(3) . ?
N3 C5 1.333(4) . ?
N4 C7 1.332(2) . ?
N4 C10 1.334(3) . ?
N5 C15 1.335(2) . ?
N5 C12 1.342(2) . ?
N6 C17 1.334(2) . ?
N6 C20 1.341(2) . ?
N7 C4 1.312(5) . ?
N7 C3 1.323(4) . ?
N8 C9 1.325(3) . ?
N8 C8 1.328(2) . ?
N9 C14 1.331(2) . ?
N9 C13 1.336(2) . ?
N10 C19 1.331(2) . ?
N10 C18 1.333(2) . ?
C1 C2 1.494(3) . ?
C2 C3 1.377(3) . ?
C4 C5 1.352(5) . ?
C6 C7 1.499(3) . ?
C7 C8 1.386(3) . ?
C9 C10 1.371(3) . ?
C11 C12 1.505(2) . ?
C12 C13 1.387(2) . ?
C14 C15 1.377(3) . ?
C16 C17 1.499(2) . ?
C17 C18 1.387(2) . ?
C19 C20 1.377(3) . ?
C21 C22 1.521(2) . ?
C22 C23 1.532(2) . ?
N31 C31 1.460(3) . ?
N31 C51 1.466(2) . ?
N31 C36 1.475(3) . ?
N32 C41 1.456(2) . ?
N32 C46 1.468(2) . ?
N32 C53 1.473(2) . ?
C33 N37 1.322(3) . ?
C33 C32 1.390(3) . ?
N34 C40 1.322(3) . ?
N34 C37 1.331(3) . ?
N35 C45 1.330(2) . ?
N35 C42 1.338(2) . ?
N36 C47 1.330(2) . ?
N36 C50 1.337(2) . ?
C35 N33 1.374(4) . ?
C35 C34 1.375(4) . ?
N38 C39 1.322(3) . ?
N38 C38 1.330(3) . ?
N39 C44 1.324(2) . ?
N39 C43 1.335(2) . ?
N40 C48 1.329(2) . ?
N40 C49 1.329(3) . ?
C31 C32 1.510(3) . ?
C32 N33 1.322(3) . ?
C34 N37 1.330(3) . ?
C36 C37 1.506(3) . ?
C37 C38 1.393(3) . ?
C39 C40 1.370(3) . ?
C41 C42 1.507(2) . ?
C42 C43 1.389(2) . ?
C44 C45 1.378(3) . ?
C46 C47 1.498(2) . ?
C47 C48 1.394(3) . ?
C49 C50 1.378(3) . ?
C51 C52 1.535(3) . ?
C52 C53 1.528(2) . ?
