#------------------------------------------------------------------------------
#$Date: 2016-03-23 02:52:35 +0200 (Wed, 23 Mar 2016) $
#$Revision: 179214 $
#$URL: svn://www.crystallography.net/cod/cif/4/31/42/4314234.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_4314234
loop_
_publ_author_name
'Lydia Karmazin'
'Marinella Mazzanti'
'Jacques Pécaut'
_publ_section_title
;
 Oxidation Chemistry of Uranium(III) Complexes of Tpa: Synthesis and
 Structural Studies of Oxo, Hydroxo, and Alkoxo Complexes of Uranium(IV)
;
_journal_name_full               'Inorganic Chemistry'
_journal_page_first              5900
_journal_page_last               5908
_journal_paper_doi               10.1021/ic0343004
_journal_volume                  42
_journal_year                    2003
_chemical_formula_sum            'C42 H45 I2 N11 O2 U'
_chemical_formula_weight         1227.72
_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                104.5200(10)
_cell_angle_beta                 91.44
_cell_angle_gamma                91.4260(10)
_cell_formula_units_Z            2
_cell_length_a                   11.4965(3)
_cell_length_b                   11.7012(3)
_cell_length_c                   17.6431(4)
_cell_measurement_temperature    293(2)
_cell_volume                     2295.68(10)
_computing_cell_refinement       'Bruker SMART'
_computing_data_collection       'Bruker SMART'
_computing_data_reduction        'Bruker SHELXTL'
_computing_molecular_graphics    'Bruker SHELXTL'
_computing_publication_material  'Bruker SHELXTL'
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 1997)'
_computing_structure_solution    'SHELXS-97 (Sheldrick, 1990)'
_diffrn_ambient_temperature      293(2)
_diffrn_measured_fraction_theta_full 0.859
_diffrn_measured_fraction_theta_max 0.859
_diffrn_measurement_device_type  'CCD area detector'
_diffrn_measurement_method       'phi and omega scans'
_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  0.0187
_diffrn_reflns_av_sigmaI/netI    0.0255
_diffrn_reflns_limit_h_max       15
_diffrn_reflns_limit_h_min       -12
_diffrn_reflns_limit_k_max       12
_diffrn_reflns_limit_k_min       -15
_diffrn_reflns_limit_l_max       23
_diffrn_reflns_limit_l_min       -23
_diffrn_reflns_number            14777
_diffrn_reflns_theta_full        28.87
_diffrn_reflns_theta_max         28.87
_diffrn_reflns_theta_min         1.77
_exptl_absorpt_coefficient_mu    4.927
_exptl_absorpt_correction_type   none
_exptl_crystal_colour            emerald_green
_exptl_crystal_density_diffrn    1.776
_exptl_crystal_density_method    'not measured'
_exptl_crystal_F_000             1176
_refine_diff_density_max         0.789
_refine_diff_density_min         -1.465
_refine_diff_density_rms         0.231
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.251
_refine_ls_hydrogen_treatment    mixed
_refine_ls_matrix_type           full
_refine_ls_number_parameters     559
_refine_ls_number_reflns         10349
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      1.251
_refine_ls_R_factor_all          0.0283
_refine_ls_R_factor_gt           0.0269
_refine_ls_shift/su_max          0.376
_refine_ls_shift/su_mean         0.017
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'calc w=1/[σ²(Fo²)+(0.0482P)²+4.3886P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0864
_refine_ls_wR_factor_ref         0.0911
_reflns_number_gt                10103
_reflns_number_total             10349
_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            ic0343004si20030702_093145_2.cif
_cod_data_source_block           complex2,[U(tpa)2(OH)2]I2.3CH3CN
_cod_depositor_comments
;
The following automatic conversions were performed:

'_symmetry_cell_setting' value 'Triclinic' changed to 'triclinic'
according to the built-in table from CIF Core dictionary named
'cif_core.dic' version 2.4.1 from 2010-06-29.

Automatic conversion script
Id: cif_fix_values 1646 2011-03-28 12:23:43Z adriana 
;
_cod_original_cell_volume        2295.67(10)
_cod_database_code               4314234
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
U U -1.159847(6) -0.174034(6) 0.255105(4) 0.01284(2) Uani 1 1 d . . .
O1 O -1.02158(11) -0.17331(12) 0.33930(8) 0.0092(3) Uani 1 1 d . . .
O2 O -1.25623(12) -0.30796(11) 0.17171(7) 0.0085(3) Uani 1 1 d . . .
N1 N -1.28953(16) -0.03716(16) 0.18405(11) 0.0167(4) Uani 1 1 d . . .
N2 N -0.95808(17) -0.06823(16) 0.21747(11) 0.0187(4) Uani 1 1 d . . .
N3 N -1.00634(16) -0.32661(16) 0.18737(11) 0.0168(4) Uani 1 1 d . . .
N4 N -1.12424(15) -0.18279(16) 0.09991(11) 0.0156(4) Uani 1 1 d . . .
N11 N -1.21134(16) -0.35286(16) 0.31517(11) 0.0171(4) Uani 1 1 d . . .
N12 N -1.39070(16) -0.17752(17) 0.28827(11) 0.0188(4) Uani 1 1 d . . .
N13 N -1.13115(16) 0.05496(16) 0.33825(11) 0.0173(4) Uani 1 1 d . . .
N14 N -1.22374(16) -0.11314(16) 0.41093(10) 0.0154(4) Uani 1 1 d . . .
C1 C -1.23674(19) -0.1685(2) 0.05998(12) 0.0177(5) Uani 1 1 d . . .
H1A H -1.2863 -0.2385 0.0553 0.021 Uiso 1 1 calc R . .
H1B H -1.2222 -0.1605 0.0076 0.021 Uiso 1 1 calc R . .
C2 C -1.29819(18) -0.06165(19) 0.10489(12) 0.0162(5) Uani 1 1 d . . .
C3 C -1.3654(2) 0.0042(2) 0.06574(13) 0.0201(5) Uani 1 1 d . . .
H3 H -1.3684 -0.0141 0.0113 0.024 Uiso 1 1 calc R . .
C4 C -1.4282(2) 0.0978(2) 0.10884(14) 0.0224(5) Uani 1 1 d . . .
H4 H -1.4728 0.1434 0.0838 0.027 Uiso 1 1 calc R . .
C5 C -1.4225(2) 0.1212(2) 0.19027(14) 0.0212(5) Uani 1 1 d . . .
H5 H -1.4646 0.1817 0.2208 0.025 Uiso 1 1 calc R . .
C6 C -1.3529(2) 0.0527(2) 0.22473(13) 0.0200(5) Uani 1 1 d . . .
H6 H -1.3493 0.0691 0.2791 0.024 Uiso 1 1 calc R . .
C7 C -1.04095(19) -0.08996(19) 0.08666(13) 0.0182(5) Uani 1 1 d . . .
H7A H -1.0805 -0.0159 0.0938 0.022 Uiso 1 1 calc R . .
H7B H -1.0154 -0.1126 0.0331 0.022 Uiso 1 1 calc R . .
C8 C -0.93696(19) -0.07282(19) 0.14180(13) 0.0181(5) Uani 1 1 d . . .
C9 C -0.8254(2) -0.0548(2) 0.11568(16) 0.0275(6) Uani 1 1 d . . .
H9 H -0.8132 -0.0615 0.0629 0.033 Uiso 1 1 calc R . .
C10 C -0.7332(2) -0.0267(3) 0.17067(18) 0.0323(7) Uani 1 1 d . . .
H10 H -0.6582 -0.0152 0.1549 0.039 Uiso 1 1 calc R . .
C11 C -0.7544(2) -0.0160(2) 0.24903(17) 0.0298(6) Uani 1 1 d . . .
H11 H -0.6949 0.0066 0.2870 0.036 Uiso 1 1 calc R . .
C12 C -0.8673(2) -0.0399(2) 0.26969(15) 0.0243(6) Uani 1 1 d . . .
H12 H -0.8806 -0.0362 0.3220 0.029 Uiso 1 1 calc R . .
C13 C -1.08277(19) -0.30283(19) 0.06168(13) 0.0176(5) Uani 1 1 d . . .
H13A H -1.0513 -0.3015 0.0114 0.021 Uiso 1 1 calc R . .
H13B H -1.1487 -0.3585 0.0520 0.021 Uiso 1 1 calc R . .
C14 C -0.99103(19) -0.34551(19) 0.10971(13) 0.0177(5) Uani 1 1 d . . .
C15 C -0.8976(2) -0.4084(2) 0.07304(14) 0.0219(5) Uani 1 1 d . . .
H15 H -0.8872 -0.4174 0.0198 0.026 Uiso 1 1 calc R . .
C16 C -0.8199(2) -0.4580(2) 0.11723(15) 0.0254(6) Uani 1 1 d . . .
H16 H -0.7578 -0.5015 0.0940 0.030 Uiso 1 1 calc R . .
C17 C -0.8382(2) -0.4404(2) 0.19678(15) 0.0243(6) Uani 1 1 d . . .
H17 H -0.7885 -0.4725 0.2278 0.029 Uiso 1 1 calc R . .
C18 C -0.9314(2) -0.3746(2) 0.22962(14) 0.0205(5) Uani 1 1 d . . .
H18 H -0.9426 -0.3631 0.2830 0.025 Uiso 1 1 calc R . .
C21 C -1.2075(2) -0.21651(19) 0.44496(12) 0.0181(5) Uani 1 1 d . . .
H21A H -1.2528 -0.2055 0.4918 0.022 Uiso 1 1 calc R . .
H21B H -1.1262 -0.2179 0.4607 0.022 Uiso 1 1 calc R . .
C22 C -1.24201(19) -0.33443(19) 0.39082(13) 0.0185(5) Uani 1 1 d . . .
C23 C -1.2925(2) -0.4229(2) 0.42016(15) 0.0257(6) Uani 1 1 d . . .
H23 H -1.3150 -0.4067 0.4720 0.031 Uiso 1 1 calc R . .
C24 C -1.3091(2) -0.5353(2) 0.37164(16) 0.0296(6) Uani 1 1 d . . .
H24 H -1.3425 -0.5956 0.3904 0.035 Uiso 1 1 calc R . .
C25 C -1.2750(2) -0.5567(2) 0.29439(15) 0.0250(6) Uani 1 1 d . . .
H25 H -1.2837 -0.6318 0.2608 0.030 Uiso 1 1 calc R . .
C26 C -1.2278(2) -0.46350(19) 0.26853(14) 0.0209(5) Uani 1 1 d . . .
H26 H -1.2064 -0.4777 0.2166 0.025 Uiso 1 1 calc R . .
C27 C -1.34492(19) -0.0712(2) 0.42203(13) 0.0187(5) Uani 1 1 d . . .
H27A H -1.3462 0.0107 0.4197 0.022 Uiso 1 1 calc R . .
H27B H -1.3693 -0.0749 0.4736 0.022 Uiso 1 1 calc R . .
C28 C -1.42942(19) -0.14287(19) 0.36148(13) 0.0168(5) Uani 1 1 d . . .
C29 C -1.5434(2) -0.1643(2) 0.38038(15) 0.0232(5) Uani 1 1 d . . .
H29 H -1.5663 -0.1421 0.4321 0.028 Uiso 1 1 calc R . .
C30 C -1.6226(2) -0.2195(2) 0.32048(15) 0.0262(6) Uani 1 1 d . . .
H30 H -1.6996 -0.2336 0.3314 0.031 Uiso 1 1 calc R . .
C31 C -1.5845(2) -0.2532(2) 0.24374(16) 0.0260(6) Uani 1 1 d . . .
H31 H -1.6355 -0.2897 0.2026 0.031 Uiso 1 1 calc R . .
C32 C -1.4691(2) -0.2310(2) 0.23042(14) 0.0234(6) Uani 1 1 d . . .
H32 H -1.4438 -0.2538 0.1793 0.028 Uiso 1 1 calc R . .
C33 C -1.1446(2) -0.01639(19) 0.45654(12) 0.0183(5) Uani 1 1 d . . .
H33A H -1.0691 -0.0483 0.4633 0.022 Uiso 1 1 calc R . .
H33B H -1.1755 0.0139 0.5081 0.022 Uiso 1 1 calc R . .
C34 C -1.12938(19) 0.08377(19) 0.41790(13) 0.0178(5) Uani 1 1 d . . .
C35 C -1.1062(2) 0.1985(2) 0.46255(15) 0.0237(6) Uani 1 1 d . . .
H35 H -1.1077 0.2157 0.5169 0.028 Uiso 1 1 calc R . .
C36 C -1.0806(2) 0.2872(2) 0.42539(15) 0.0256(6) Uani 1 1 d . . .
H36 H -1.0642 0.3642 0.4543 0.031 Uiso 1 1 calc R . .
C37 C -1.0799(2) 0.2583(2) 0.34390(15) 0.0245(6) Uani 1 1 d . . .
H37 H -1.0619 0.3154 0.3173 0.029 Uiso 1 1 calc R . .
C38 C -1.1067(2) 0.1425(2) 0.30312(14) 0.0204(5) Uani 1 1 d . . .
H38 H -1.1080 0.1242 0.2487 0.024 Uiso 1 1 calc R . .
I3 I 0.098869(15) -0.260658(14) -0.118115(9) 0.02810(4) Uani 1 1 d . . .
I4 I 0.527977(14) -0.205036(13) -0.404485(9) 0.02298(3) Uani 1 1 d . . .
N41 N -0.4818(4) -0.6817(5) -0.0396(2) 0.0894(15) Uani 1 1 d . . .
C41 C -0.4444(3) -0.6339(3) 0.0201(2) 0.0494(9) Uani 1 1 d . . .
C42 C -0.3987(3) -0.5749(3) 0.0979(2) 0.0480(9) Uani 1 1 d . . .
H42A H -0.325(4) -0.613(4) 0.102(3) 0.063(13) Uiso 1 1 d . . .
H42B H -0.438(6) -0.585(6) 0.140(4) 0.12(2) Uiso 1 1 d . . .
H42C H -0.387(5) -0.509(5) 0.097(3) 0.080(16) Uiso 1 1 d . . .
N42 N -0.6539(3) -0.7066(3) 0.1508(2) 0.0676(10) Uani 1 1 d . . .
C43 C -0.7203(3) -0.7157(3) 0.1948(2) 0.0404(8) Uani 1 1 d . . .
C44 C -0.8080(3) -0.7280(3) 0.2511(2) 0.0413(8) Uani 1 1 d . . .
H44A H -0.770(3) -0.747(3) 0.294(2) 0.046(10) Uiso 1 1 d . . .
H44B H -0.846(4) -0.773(4) 0.230(3) 0.059(13) Uiso 1 1 d . . .
H44C H -0.836(3) -0.653(4) 0.284(2) 0.050(11) Uiso 1 1 d . . .
N43 N -0.8260(3) -0.4463(3) 0.40007(18) 0.0555(9) Uani 1 1 d . . .
C45 C -0.7274(3) -0.4542(3) 0.40152(17) 0.0409(8) Uani 1 1 d . . .
C46 C -0.6018(3) -0.4634(3) 0.4030(2) 0.0469(9) Uani 1 1 d . . .
H46A H -0.586(3) -0.546(3) 0.404(2) 0.035(9) Uiso 1 1 d . . .
H46B H -0.584(4) -0.463(4) 0.350(2) 0.054(12) Uiso 1 1 d . . .
H46C H -0.568(4) -0.419(4) 0.446(2) 0.056(12) Uiso 1 1 d . . .
loop_
_atom_type_symbol
_atom_type_description
_atom_type_scat_dispersion_real
_atom_type_scat_dispersion_imag
_atom_type_scat_source
C C 0.0033 0.0016 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
H H 0.0000 0.0000 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
N N 0.0061 0.0033 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
O O 0.0106 0.0060 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
I I -0.4742 1.8119 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
U U -9.6767 9.6646 '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
O2 U O1 134.69(5) . . ?
O2 U N3 74.19(5) . . ?
O1 U N3 72.12(5) . . ?
O2 U N11 69.65(5) . . ?
O1 U N11 75.08(5) . . ?
N3 U N11 79.41(6) . . ?
O2 U N1 80.24(5) . . ?
O1 U N1 144.82(5) . . ?
N3 U N1 125.95(6) . . ?
N11 U N1 133.34(6) . . ?
O2 U N13 150.14(6) . . ?
O1 U N13 74.63(5) . . ?
N3 U N13 130.55(6) . . ?
N11 U N13 125.11(6) . . ?
N1 U N13 71.35(5) . . ?
O2 U N12 68.07(5) . . ?
O1 U N12 123.73(6) . . ?
N3 U N12 137.26(6) . . ?
N11 U N12 69.38(6) . . ?
N1 U N12 66.59(6) . . ?
N13 U N12 91.80(6) . . ?
O2 U N4 63.95(5) . . ?
O1 U N4 123.62(5) . . ?
N3 U N4 64.88(6) . . ?
N11 U N4 127.04(5) . . ?
N1 U N4 61.14(5) . . ?
N13 U N4 107.85(6) . . ?
N12 U N4 112.59(6) . . ?
O2 U N2 122.20(5) . . ?
O1 U N2 68.92(6) . . ?
N3 U N2 66.61(6) . . ?
N11 U N2 136.24(6) . . ?
N1 U N2 89.89(6) . . ?
N13 U N2 67.79(5) . . ?
N12 U N2 153.32(6) . . ?
N4 U N2 61.63(5) . . ?
O2 U N14 120.04(5) . . ?
O1 U N14 64.84(5) . . ?
N3 U N14 129.08(6) . . ?
N11 U N14 64.61(5) . . ?
N1 U N14 104.96(5) . . ?
N13 U N14 61.29(6) . . ?
N12 U N14 60.96(5) . . ?
N4 U N14 165.57(6) . . ?
N2 U N14 117.55(5) . . ?
C2 N1 C6 117.2(2) . . ?
C2 N1 U 120.15(14) . . ?
C6 N1 U 122.58(15) . . ?
C8 N2 C12 117.4(2) . . ?
C8 N2 U 119.85(14) . . ?
C12 N2 U 120.44(17) . . ?
C18 N3 C14 118.38(19) . . ?
C18 N3 U 121.51(14) . . ?
C14 N3 U 119.49(15) . . ?
C1 N4 C13 107.16(16) . . ?
C1 N4 C7 106.97(18) . . ?
C13 N4 C7 110.18(17) . . ?
C1 N4 U 109.81(12) . . ?
C13 N4 U 107.83(13) . . ?
C7 N4 U 114.66(12) . . ?
C22 N11 C26 117.4(2) . . ?
C22 N11 U 120.84(14) . . ?
C26 N11 U 120.78(15) . . ?
C28 N12 C32 117.5(2) . . ?
C28 N12 U 122.86(14) . . ?
C32 N12 U 119.03(15) . . ?
C38 N13 C34 117.25(18) . . ?
C38 N13 U 121.77(14) . . ?
C34 N13 U 120.66(15) . . ?
C33 N14 C27 107.24(16) . . ?
C33 N14 C21 106.70(17) . . ?
C27 N14 C21 110.40(18) . . ?
C33 N14 U 109.51(13) . . ?
C27 N14 U 113.77(13) . . ?
C21 N14 U 108.97(12) . . ?
N4 C1 C2 111.12(16) . . ?
N1 C2 C3 122.36(19) . . ?
N1 C2 C1 117.0(2) . . ?
C3 C2 C1 120.58(19) . . ?
C4 C3 C2 119.5(2) . . ?
C3 C4 C5 118.4(2) . . ?
C6 C5 C4 118.6(2) . . ?
N1 C6 C5 123.9(2) . . ?
N4 C7 C8 111.68(19) . . ?
N2 C8 C9 122.8(2) . . ?
N2 C8 C7 116.5(2) . . ?
C9 C8 C7 120.6(2) . . ?
C10 C9 C8 118.5(3) . . ?
C11 C10 C9 119.4(2) . . ?
C10 C11 C12 118.4(2) . . ?
N2 C12 C11 123.3(2) . . ?
N4 C13 C14 113.49(17) . . ?
N3 C14 C15 122.0(2) . . ?
N3 C14 C13 117.81(19) . . ?
C15 C14 C13 120.1(2) . . ?
C14 C15 C16 119.3(2) . . ?
C17 C16 C15 118.1(2) . . ?
C16 C17 C18 119.4(2) . . ?
N3 C18 C17 122.7(2) . . ?
N14 C21 C22 114.85(18) . . ?
N11 C22 C23 122.4(2) . . ?
N11 C22 C21 116.9(2) . . ?
C23 C22 C21 120.3(2) . . ?
C24 C23 C22 119.4(2) . . ?
C23 C24 C25 119.0(2) . . ?
C26 C25 C24 118.5(2) . . ?
N11 C26 C25 123.3(2) . . ?
N14 C27 C28 112.51(17) . . ?
N12 C28 C29 122.9(2) . . ?
N12 C28 C27 116.13(19) . . ?
C29 C28 C27 120.8(2) . . ?
C28 C29 C30 118.8(2) . . ?
C29 C30 C31 118.9(2) . . ?
C32 C31 C30 118.4(2) . . ?
N12 C32 C31 123.3(2) . . ?
N14 C33 C34 113.01(18) . . ?
N13 C34 C35 122.4(2) . . ?
N13 C34 C33 116.79(18) . . ?
C35 C34 C33 120.7(2) . . ?
C36 C35 C34 119.5(2) . . ?
C35 C36 C37 118.6(2) . . ?
C38 C37 C36 118.7(2) . . ?
N13 C38 C37 123.5(2) . . ?
N41 C41 C42 178.2(5) . . ?
N42 C43 C44 179.1(4) . . ?
N43 C45 C46 179.4(4) . . ?
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
U O2 2.1269(12) . ?
U O1 2.1465(13) . ?
U N3 2.6312(18) . ?
U N11 2.633(2) . ?
U N1 2.719(2) . ?
U N13 2.7205(18) . ?
U N12 2.7336(19) . ?
U N4 2.7556(19) . ?
U N2 2.775(2) . ?
U N14 2.7840(18) . ?
N1 C2 1.354(3) . ?
N1 C6 1.355(3) . ?
N2 C8 1.351(3) . ?
N2 C12 1.353(3) . ?
N3 C18 1.347(3) . ?
N3 C14 1.349(3) . ?
N4 C1 1.490(3) . ?
N4 C13 1.493(3) . ?
N4 C7 1.496(3) . ?
N11 C22 1.355(3) . ?
N11 C26 1.354(3) . ?
N12 C28 1.344(3) . ?
N12 C32 1.360(3) . ?
N13 C38 1.351(3) . ?
N13 C34 1.360(3) . ?
N14 C33 1.487(3) . ?
N14 C27 1.490(3) . ?
N14 C21 1.493(3) . ?
C1 C2 1.505(3) . ?
C2 C3 1.391(3) . ?
C3 C4 1.396(3) . ?
C4 C5 1.393(3) . ?
C5 C6 1.380(3) . ?
C7 C8 1.499(3) . ?
C8 C9 1.402(3) . ?
C9 C10 1.394(4) . ?
C10 C11 1.385(4) . ?
C11 C12 1.397(4) . ?
C13 C14 1.508(3) . ?
C14 C15 1.396(3) . ?
C15 C16 1.400(4) . ?
C16 C17 1.389(4) . ?
C17 C18 1.388(3) . ?
C21 C22 1.505(3) . ?
C22 C23 1.390(4) . ?
C23 C24 1.383(3) . ?
C24 C25 1.391(4) . ?
C25 C26 1.388(4) . ?
C27 C28 1.499(3) . ?
C28 C29 1.393(3) . ?
C29 C30 1.394(3) . ?
C30 C31 1.397(4) . ?
C31 C32 1.383(3) . ?
C33 C34 1.505(3) . ?
C34 C35 1.391(3) . ?
C35 C36 1.389(4) . ?
C36 C37 1.392(4) . ?
C37 C38 1.389(3) . ?
N41 C41 1.130(5) . ?
C41 C42 1.452(5) . ?
N42 C43 1.124(5) . ?
C43 C44 1.462(5) . ?
N43 C45 1.141(5) . ?
C45 C46 1.450(5) . ?
