#------------------------------------------------------------------------------
#$Date: 2016-03-25 11:18:54 +0200 (Fri, 25 Mar 2016) $
#$Revision: 179784 $
#$URL: svn://www.crystallography.net/cod/cif/7/00/80/7008048.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_7008048
loop_
_publ_author_name
'Berthet, Jean-Claude'
'Nierlich, Martine'
'Miquel, Yannick'
'Madic, Charles'
'Ephritikhine, Michel'
_publ_section_title
;
 Selective complexation of uranium(III) over lanthanide(III) triflates
 by 2,2':6',2"-terpyridine. X-Ray crystal structures of
 [M(OTf)3(terpy)2] and [M(OTf)2(terpy)2(py)][OTf](M = Nd, Ce, U) and of
 polynuclear mu-oxo uranium(IV) complexes resulting from hydrolysis.
;
_journal_issue                   2
_journal_name_full
'Dalton transactions (Cambridge, England : 2003)'
_journal_page_first              369
_journal_page_last               379
_journal_paper_doi               10.1039/b416189k
_journal_year                    2005
_chemical_formula_sum            'C33 H22 Ce F9 N6 O9 S3'
_chemical_formula_weight         1053.87
_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                85.14(3)
_cell_angle_beta                 88.79(3)
_cell_angle_gamma                70.03(3)
_cell_formula_units_Z            2
_cell_length_a                   11.630(2)
_cell_length_b                   11.749(2)
_cell_length_c                   15.546(3)
_cell_measurement_reflns_used    12295
_cell_measurement_temperature    123(2)
_cell_measurement_theta_max      25
_cell_measurement_theta_min      2
_cell_volume                     1989.2(7)
_computing_cell_refinement       'DENZO(Otwinowski& Minor,1997)'
_computing_data_collection       'DENZO(Otwinowski& Minor,1997)'
_computing_data_reduction        'DENZO(Otwinowski& Minor,1997)'
_computing_molecular_graphics    'SHELXTL (Sheldrick,1997)'
_computing_publication_material  'SHELXTL (Sheldrick,1997)'
_computing_structure_refinement  'SHELXL-93 (Sheldrick, 1990)'
_computing_structure_solution    'SHELXS-86 (Sheldrick, 1990)'
_diffrn_ambient_temperature      123(2)
_diffrn_measured_fraction_theta_full 0.918
_diffrn_measured_fraction_theta_max 0.918
_diffrn_measurement_device       'Nonius Kappa CCD diffractometer'
_diffrn_measurement_method       'φ scans with 2° steps'
_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  0.0590
_diffrn_reflns_av_sigmaI/netI    0.0774
_diffrn_reflns_limit_h_max       13
_diffrn_reflns_limit_h_min       0
_diffrn_reflns_limit_k_max       13
_diffrn_reflns_limit_k_min       -12
_diffrn_reflns_limit_l_max       18
_diffrn_reflns_limit_l_min       -18
_diffrn_reflns_number            12295
_diffrn_reflns_theta_full        24.72
_diffrn_reflns_theta_max         24.72
_diffrn_reflns_theta_min         2.58
_diffrn_standards_number         0
_exptl_absorpt_coefficient_mu    1.404
_exptl_absorpt_correction_T_max  0.905
_exptl_absorpt_correction_T_min  0.867
_exptl_absorpt_correction_type   refdelf
_exptl_absorpt_process_details   'MULABS in PLATON (Spek, 1998)'
_exptl_crystal_colour            'translucent light yellow'
_exptl_crystal_density_diffrn    1.759
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       platelet
_exptl_crystal_F_000             1042
_exptl_crystal_size_max          0.200
_exptl_crystal_size_mid          0.100
_exptl_crystal_size_min          0.050
_refine_diff_density_max         1.949
_refine_diff_density_min         -1.510
_refine_diff_density_rms         0.148
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.017
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     550
_refine_ls_number_reflns         6240
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      1.017
_refine_ls_R_factor_all          0.0800
_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)+(0.0724P)²+9.8521P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1364
_refine_ls_wR_factor_ref         0.1484
_reflns_number_gt                5000
_reflns_number_total             6240
_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            b416189k.txt
_cod_data_source_block           4
_cod_database_code               7008048
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
Ce Ce 0.73398(4) 1.77639(4) 0.75235(3) 0.02044(15) Uani 1 1 d . . .
S1 S 0.54728(17) 2.12359(17) 0.71247(11) 0.0237(4) Uani 1 1 d . . .
S2 S 1.0592(2) 1.5577(2) 0.73166(17) 0.0509(7) Uani 1 1 d . . .
S3 S 0.96860(17) 1.94175(19) 0.76296(13) 0.0302(5) Uani 1 1 d . . .
F1 F 0.3332(5) 2.2631(5) 0.6518(4) 0.0599(16) Uani 1 1 d . . .
F2 F 0.3329(4) 2.0972(5) 0.7201(3) 0.0501(14) Uani 1 1 d . . .
F3 F 0.4072(5) 2.0955(5) 0.5928(3) 0.0475(13) Uani 1 1 d . . .
F4 F 1.2676(5) 1.4317(6) 0.8038(4) 0.0736(19) Uani 1 1 d . . .
F5 F 1.1941(6) 1.6168(6) 0.8401(5) 0.076(2) Uani 1 1 d . . .
F6 F 1.1220(7) 1.4869(6) 0.8930(4) 0.084(2) Uani 1 1 d . . .
F7 F 0.8570(7) 2.1117(6) 0.8643(4) 0.076(2) Uani 1 1 d . . .
F8 F 0.8319(6) 2.1681(5) 0.7288(4) 0.0667(17) Uani 1 1 d . . .
F9 F 1.0004(6) 2.1453(6) 0.7893(4) 0.0659(17) Uani 1 1 d . . .
O1 O 0.6016(5) 1.9907(5) 0.7202(4) 0.0353(13) Uani 1 1 d . . .
O2 O 0.6032(5) 2.1825(5) 0.6484(3) 0.0359(13) Uani 1 1 d . . .
O3 O 0.5199(5) 2.1772(5) 0.7934(3) 0.0357(13) Uani 1 1 d . . .
O4 O 0.9485(5) 1.6437(5) 0.7662(4) 0.0366(14) Uani 1 1 d . . .
O5 O 1.0473(7) 1.4488(7) 0.7131(6) 0.079(3) Uani 1 1 d . . .
O6 O 1.1179(7) 1.6169(8) 0.6655(5) 0.074(2) Uani 1 1 d . . .
O7 O 0.8561(4) 1.9112(5) 0.7648(3) 0.0286(12) Uani 1 1 d . . .
O8 O 1.0517(5) 1.8804(6) 0.8310(4) 0.0472(16) Uani 1 1 d . . .
O9 O 1.0191(5) 1.9473(6) 0.6790(4) 0.0415(15) Uani 1 1 d . . .
N1 N 0.5195(5) 1.7918(5) 0.6877(4) 0.0245(14) Uani 1 1 d . . .
N2 N 0.5444(5) 1.8137(5) 0.8601(4) 0.0202(13) Uani 1 1 d . . .
N3 N 0.7713(6) 1.7872(6) 0.9174(4) 0.0263(14) Uani 1 1 d . . .
N4 N 0.7944(6) 1.8160(6) 0.5910(4) 0.0263(14) Uani 1 1 d . . .
N5 N 0.7618(5) 1.6033(5) 0.6465(4) 0.0247(14) Uani 1 1 d . . .
N6 N 0.7180(6) 1.5614(6) 0.8161(4) 0.0280(14) Uani 1 1 d . . .
C1 C 0.5053(8) 1.7837(7) 0.6035(5) 0.0294(18) Uani 1 1 d . . .
H1A H 0.5710 1.7800 0.5673 0.035 Uiso 1 1 calc R . .
C2 C 0.3998(7) 1.7807(7) 0.5669(5) 0.0311(18) Uani 1 1 d . . .
H2B H 0.3941 1.7768 0.5077 0.037 Uiso 1 1 calc R . .
C3 C 0.3033(7) 1.7835(7) 0.6198(5) 0.0319(18) Uani 1 1 d . . .
H3B H 0.2318 1.7782 0.5976 0.038 Uiso 1 1 calc R . .
C4 C 0.3144(7) 1.7943(7) 0.7065(5) 0.0299(18) Uani 1 1 d . . .
H4A H 0.2495 1.7974 0.7432 0.036 Uiso 1 1 calc R . .
C5 C 0.4218(7) 1.8008(7) 0.7396(5) 0.0248(16) Uani 1 1 d . . .
C6 C 0.4335(7) 1.8231(7) 0.8303(5) 0.0238(16) Uani 1 1 d . . .
C7 C 0.3294(7) 1.8546(8) 0.8831(5) 0.0314(18) Uani 1 1 d . . .
H7A H 0.2537 1.8592 0.8617 0.038 Uiso 1 1 calc R . .
C8 C 0.3414(7) 1.8789(8) 0.9677(5) 0.0344(19) Uani 1 1 d . . .
H8B H 0.2731 1.9029 1.0029 0.041 Uiso 1 1 calc R . .
C9 C 0.4545(7) 1.8671(7) 0.9991(5) 0.0285(17) Uani 1 1 d . . .
H9B H 0.4638 1.8816 1.0560 0.034 Uiso 1 1 calc R . .
C10 C 0.5549(7) 1.8333(6) 0.9449(5) 0.0227(16) Uani 1 1 d . . .
C11 C 0.6803(7) 1.8129(7) 0.9773(5) 0.0248(16) Uani 1 1 d . . .
C12 C 0.7032(7) 1.8174(8) 1.0634(5) 0.0323(18) Uani 1 1 d . . .
H12A H 0.6396 1.8359 1.1028 0.039 Uiso 1 1 calc R . .
C13 C 0.8219(8) 1.7942(9) 1.0900(5) 0.041(2) Uani 1 1 d . . .
H13A H 0.8393 1.7956 1.1479 0.050 Uiso 1 1 calc R . .
C14 C 0.9139(8) 1.7693(8) 1.0309(5) 0.038(2) Uani 1 1 d . . .
H14A H 0.9942 1.7552 1.0477 0.045 Uiso 1 1 calc R . .
C15 C 0.8850(7) 1.7656(8) 0.9456(5) 0.0312(18) Uani 1 1 d . . .
H15A H 0.9482 1.7471 0.9057 0.037 Uiso 1 1 calc R . .
C16 C 0.8139(7) 1.9188(7) 0.5658(5) 0.0309(18) Uani 1 1 d . . .
H16A H 0.7843 1.9834 0.6003 0.037 Uiso 1 1 calc R . .
C17 C 0.8756(7) 1.9355(8) 0.4916(5) 0.036(2) Uani 1 1 d . . .
H17A H 0.8868 2.0093 0.4767 0.043 Uiso 1 1 calc R . .
C18 C 0.9203(8) 1.8400(8) 0.4397(6) 0.040(2) Uani 1 1 d . . .
H18A H 0.9627 1.8485 0.3896 0.048 Uiso 1 1 calc R . .
C19 C 0.9012(7) 1.7320(8) 0.4635(5) 0.036(2) Uani 1 1 d . . .
H19A H 0.9307 1.6667 0.4295 0.044 Uiso 1 1 calc R . .
C20 C 0.8366(7) 1.7217(7) 0.5395(5) 0.0263(17) Uani 1 1 d . . .
C21 C 0.8034(7) 1.6141(7) 0.5653(5) 0.0284(17) Uani 1 1 d . . .
C22 C 0.8095(9) 1.5288(8) 0.5064(5) 0.040(2) Uani 1 1 d . . .
H22A H 0.8388 1.5379 0.4511 0.048 Uiso 1 1 calc R . .
C23 C 0.7727(10) 1.4322(8) 0.5299(6) 0.048(2) Uani 1 1 d . . .
H23A H 0.7780 1.3740 0.4915 0.058 Uiso 1 1 calc R . .
C24 C 0.7274(9) 1.4229(7) 0.6121(6) 0.042(2) Uani 1 1 d . . .
H24A H 0.6973 1.3605 0.6287 0.050 Uiso 1 1 calc R . .
C25 C 0.7270(7) 1.5071(7) 0.6696(5) 0.0316(18) Uani 1 1 d . . .
C26 C 0.6870(7) 1.4940(7) 0.7606(5) 0.0305(18) Uani 1 1 d . . .
C27 C 0.6273(8) 1.4121(8) 0.7880(6) 0.043(2) Uani 1 1 d . . .
H27A H 0.6026 1.3702 0.7481 0.051 Uiso 1 1 calc R . .
C28 C 0.6056(10) 1.3946(8) 0.8745(6) 0.050(3) Uani 1 1 d . . .
H28A H 0.5630 1.3433 0.8938 0.060 Uiso 1 1 calc R . .
C29 C 0.6480(10) 1.4545(8) 0.9323(6) 0.051(3) Uani 1 1 d . . .
H29A H 0.6409 1.4388 0.9915 0.062 Uiso 1 1 calc R . .
C30 C 0.7007(8) 1.5373(7) 0.9010(5) 0.036(2) Uani 1 1 d . . .
H30A H 0.7260 1.5794 0.9404 0.043 Uiso 1 1 calc R . .
C31 C 0.3968(8) 2.1463(7) 0.6670(5) 0.0351(19) Uani 1 1 d . . .
C32 C 1.1661(8) 1.5227(9) 0.8203(8) 0.056(3) Uani 1 1 d . . .
C33 C 0.9100(9) 2.1012(9) 0.7889(6) 0.045(2) Uani 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'
F F 0.0171 0.0103 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
S S 0.1246 0.1234 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Ce Ce -0.2486 2.6331 '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
O4 Ce O1 142.71(19) . . ?
O4 Ce O7 73.50(18) . . ?
O1 Ce O7 70.55(18) . . ?
O4 Ce N3 80.04(19) . . ?
O1 Ce N3 97.7(2) . . ?
O7 Ce N3 71.85(18) . . ?
O4 Ce N4 83.6(2) . . ?
O1 Ce N4 79.19(19) . . ?
O7 Ce N4 77.15(18) . . ?
N3 Ce N4 147.94(19) . . ?
O4 Ce N1 142.64(19) . . ?
O1 Ce N1 68.62(19) . . ?
O7 Ce N1 137.90(18) . . ?
N3 Ce N1 123.34(19) . . ?
N4 Ce N1 85.59(18) . . ?
O4 Ce N5 73.80(19) . . ?
O1 Ce N5 123.88(19) . . ?
O7 Ce N5 129.51(18) . . ?
N3 Ce N5 136.71(19) . . ?
N4 Ce N5 61.89(18) . . ?
N1 Ce N5 69.56(19) . . ?
O4 Ce N2 132.23(19) . . ?
O1 Ce N2 73.87(18) . . ?
O7 Ce N2 115.10(17) . . ?
N3 Ce N2 61.39(18) . . ?
N4 Ce N2 143.53(19) . . ?
N1 Ce N2 62.00(18) . . ?
N5 Ce N2 115.38(18) . . ?
O4 Ce N6 76.8(2) . . ?
O1 Ce N6 139.92(19) . . ?
O7 Ce N6 141.98(19) . . ?
N3 Ce N6 80.13(19) . . ?
N4 Ce N6 122.53(19) . . ?
N1 Ce N6 79.26(19) . . ?
N5 Ce N6 60.83(18) . . ?
N2 Ce N6 70.09(18) . . ?
O2 S1 O3 116.4(3) . . ?
O2 S1 O1 114.1(3) . . ?
O3 S1 O1 114.5(3) . . ?
O2 S1 C31 104.2(4) . . ?
O3 S1 C31 103.7(4) . . ?
O1 S1 C31 101.5(4) . . ?
O5 S2 O4 114.2(5) . . ?
O5 S2 O6 116.8(6) . . ?
O4 S2 O6 112.3(4) . . ?
O5 S2 C32 106.7(5) . . ?
O4 S2 C32 102.9(4) . . ?
O6 S2 C32 101.8(5) . . ?
O8 S3 O9 116.8(4) . . ?
O8 S3 O7 113.6(3) . . ?
O9 S3 O7 114.0(3) . . ?
O8 S3 C33 104.6(4) . . ?
O9 S3 C33 103.8(4) . . ?
O7 S3 C33 101.6(4) . . ?
S1 O1 Ce 165.8(4) . . ?
S2 O4 Ce 151.6(4) . . ?
S3 O7 Ce 155.1(3) . . ?
C1 N1 C5 117.3(6) . . ?
C1 N1 Ce 121.3(5) . . ?
C5 N1 Ce 121.3(5) . . ?
C6 N2 C10 118.2(6) . . ?
C6 N2 Ce 120.3(4) . . ?
C10 N2 Ce 121.3(4) . . ?
C15 N3 C11 117.1(6) . . ?
C15 N3 Ce 119.2(5) . . ?
C11 N3 Ce 123.7(5) . . ?
C16 N4 C20 117.8(6) . . ?
C16 N4 Ce 119.8(5) . . ?
C20 N4 Ce 120.2(5) . . ?
C25 N5 C21 118.0(6) . . ?
C25 N5 Ce 121.2(5) . . ?
C21 N5 Ce 120.6(5) . . ?
C26 N6 C30 116.9(7) . . ?
C26 N6 Ce 117.6(5) . . ?
C30 N6 Ce 122.0(5) . . ?
N1 C1 C2 124.3(7) . . ?
C3 C2 C1 118.4(7) . . ?
C2 C3 C4 118.6(7) . . ?
C3 C4 C5 120.6(7) . . ?
N1 C5 C4 120.7(7) . . ?
N1 C5 C6 117.1(6) . . ?
C4 C5 C6 122.1(6) . . ?
N2 C6 C7 121.8(6) . . ?
N2 C6 C5 118.5(6) . . ?
C7 C6 C5 119.7(7) . . ?
C8 C7 C6 118.9(7) . . ?
C9 C8 C7 119.7(7) . . ?
C8 C9 C10 119.1(7) . . ?
N2 C10 C9 122.2(7) . . ?
N2 C10 C11 116.7(6) . . ?
C9 C10 C11 121.1(7) . . ?
N3 C11 C12 122.1(7) . . ?
N3 C11 C10 116.2(6) . . ?
C12 C11 C10 121.6(7) . . ?
C11 C12 C13 119.0(8) . . ?
C14 C13 C12 119.7(8) . . ?
C13 C14 C15 118.6(8) . . ?
N3 C15 C14 123.5(7) . . ?
N4 C16 C17 124.0(8) . . ?
C16 C17 C18 118.6(8) . . ?
C19 C18 C17 119.1(8) . . ?
C18 C19 C20 119.3(8) . . ?
N4 C20 C19 121.2(7) . . ?
N4 C20 C21 116.1(6) . . ?
C19 C20 C21 122.6(7) . . ?
N5 C21 C22 121.5(7) . . ?
N5 C21 C20 117.8(6) . . ?
C22 C21 C20 120.7(7) . . ?
C23 C22 C21 120.2(8) . . ?
C22 C23 C24 118.3(8) . . ?
C23 C24 C25 119.6(8) . . ?
N5 C25 C24 122.2(7) . . ?
N5 C25 C26 117.1(7) . . ?
C24 C25 C26 120.6(7) . . ?
N6 C26 C27 122.1(7) . . ?
N6 C26 C25 115.6(7) . . ?
C27 C26 C25 122.3(7) . . ?
C28 C27 C26 119.1(8) . . ?
C27 C28 C29 118.9(8) . . ?
C30 C29 C28 118.9(9) . . ?
N6 C30 C29 123.7(8) . . ?
F1 C31 F2 108.1(7) . . ?
F1 C31 F3 107.7(7) . . ?
F2 C31 F3 107.7(7) . . ?
F1 C31 S1 111.1(6) . . ?
F2 C31 S1 111.2(6) . . ?
F3 C31 S1 110.8(6) . . ?
F5 C32 F6 104.1(10) . . ?
F5 C32 F4 109.8(8) . . ?
F6 C32 F4 106.1(8) . . ?
F5 C32 S2 113.3(7) . . ?
F6 C32 S2 112.5(7) . . ?
F4 C32 S2 110.7(8) . . ?
F7 C33 F8 109.8(8) . . ?
F7 C33 F9 109.0(7) . . ?
F8 C33 F9 106.4(8) . . ?
F7 C33 S3 111.2(7) . . ?
F8 C33 S3 110.1(6) . . ?
F9 C33 S3 110.1(7) . . ?
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
Ce O4 2.451(6) . ?
Ce O1 2.476(5) . ?
Ce O7 2.483(5) . ?
Ce N3 2.632(6) . ?
Ce N4 2.637(6) . ?
Ce N1 2.651(6) . ?
Ce N5 2.653(6) . ?
Ce N2 2.677(6) . ?
Ce N6 2.699(6) . ?
S1 O2 1.434(6) . ?
S1 O3 1.436(5) . ?
S1 O1 1.466(6) . ?
S1 C31 1.827(9) . ?
S2 O5 1.387(8) . ?
S2 O4 1.463(6) . ?
S2 O6 1.477(8) . ?
S2 C32 1.800(11) . ?
S3 O8 1.418(6) . ?
S3 O9 1.426(6) . ?
S3 O7 1.469(5) . ?
S3 C33 1.838(10) . ?
F1 C31 1.321(9) . ?
F2 C31 1.323(10) . ?
F3 C31 1.327(10) . ?
F4 C32 1.332(11) . ?
F5 C32 1.316(12) . ?
F6 C32 1.326(13) . ?
F7 C33 1.308(10) . ?
F8 C33 1.320(11) . ?
F9 C33 1.322(10) . ?
N1 C1 1.339(9) . ?
N1 C5 1.358(9) . ?
N2 C6 1.346(9) . ?
N2 C10 1.373(9) . ?
N3 C15 1.335(10) . ?
N3 C11 1.368(9) . ?
N4 C16 1.329(10) . ?
N4 C20 1.368(10) . ?
N5 C25 1.345(10) . ?
N5 C21 1.353(10) . ?
N6 C26 1.351(10) . ?
N6 C30 1.352(10) . ?
C1 C2 1.376(11) . ?
C2 C3 1.370(11) . ?
C3 C4 1.378(11) . ?
C4 C5 1.389(10) . ?
C5 C6 1.474(10) . ?
C6 C7 1.407(11) . ?
C7 C8 1.389(11) . ?
C8 C9 1.370(11) . ?
C9 C10 1.389(10) . ?
C10 C11 1.486(10) . ?
C11 C12 1.378(10) . ?
C12 C13 1.378(12) . ?
C13 C14 1.365(12) . ?
C14 C15 1.383(11) . ?
C16 C17 1.381(11) . ?
C17 C18 1.384(12) . ?
C18 C19 1.381(12) . ?
C19 C20 1.406(11) . ?
C20 C21 1.467(11) . ?
C21 C22 1.397(11) . ?
C22 C23 1.364(13) . ?
C23 C24 1.382(13) . ?
C24 C25 1.388(11) . ?
C25 C26 1.493(11) . ?
C26 C27 1.401(12) . ?
C27 C28 1.375(13) . ?
C28 C29 1.382(14) . ?
C29 C30 1.369(12) . ?
