#------------------------------------------------------------------------------
#$Date: 2019-11-07 22:22:15 +0200 (Thu, 07 Nov 2019) $
#$Revision: 223767 $
#$URL: file:///home/coder/svn-repositories/cod/cif/7/70/02/7700254.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_7700254
loop_
_publ_author_name
'Li, Li'
'Hua, Yang'
'Li, Xiao-Nan'
'Guo, Yu'
'Zhang, Hong'
_publ_section_title
;
 Reunderstanding the photoinduced charge transfer process of ammonium
 polyoxomolybdate.
;
_journal_issue                   28
_journal_name_full
'Dalton transactions (Cambridge, England : 2003)'
_journal_page_first              10683
_journal_page_last               10688
_journal_paper_doi               10.1039/c9dt02106j
_journal_volume                  48
_journal_year                    2019
_chemical_formula_sum            'C66 H58 Mo8 N6 O26'
_chemical_formula_weight         2118.70
_space_group_IT_number           2
_space_group_name_Hall           '-P 1'
_space_group_name_H-M_alt        'P -1'
_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
_audit_update_record
;
2019-03-07 deposited with the CCDC.    2019-06-11 downloaded from the CCDC.
;
_cell_angle_alpha                114.442(2)
_cell_angle_beta                 112.183(2)
_cell_angle_gamma                90.361(2)
_cell_formula_units_Z            1
_cell_length_a                   11.4623(5)
_cell_length_b                   13.4719(6)
_cell_length_c                   13.5825(6)
_cell_measurement_temperature    293(2)
_cell_volume                     1734.93(14)
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 1997)'
_computing_structure_solution    'SHELXS-97 (Sheldrick, 1990)'
_diffrn_ambient_temperature      293(2)
_diffrn_measured_fraction_theta_full 0.989
_diffrn_measured_fraction_theta_max 0.989
_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  0.0541
_diffrn_reflns_av_sigmaI/netI    0.0525
_diffrn_reflns_limit_h_max       13
_diffrn_reflns_limit_h_min       -13
_diffrn_reflns_limit_k_max       16
_diffrn_reflns_limit_k_min       -16
_diffrn_reflns_limit_l_max       16
_diffrn_reflns_limit_l_min       -16
_diffrn_reflns_number            20691
_diffrn_reflns_theta_full        25.76
_diffrn_reflns_theta_max         25.76
_diffrn_reflns_theta_min         2.33
_exptl_absorpt_coefficient_mu    1.485
_exptl_crystal_density_diffrn    2.028
_exptl_crystal_density_method    'not measured'
_exptl_crystal_F_000             1040
_refine_diff_density_max         1.287
_refine_diff_density_min         -1.408
_refine_diff_density_rms         0.276
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.071
_refine_ls_hydrogen_treatment    mixed
_refine_ls_matrix_type           full
_refine_ls_number_parameters     478
_refine_ls_number_reflns         6585
_refine_ls_number_restraints     1
_refine_ls_restrained_S_all      1.072
_refine_ls_R_factor_all          0.0790
_refine_ls_R_factor_gt           0.0432
_refine_ls_shift/su_max          0.000
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'calc w=1/[σ²(Fo²)+(0.0719P)²+4.7271P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1099
_refine_ls_wR_factor_ref         0.1450
_reflns_number_gt                4414
_reflns_number_total             6585
_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            c9dt02106j2.cif
_cod_data_source_block           a
_cod_depositor_comments
'Adding full bibliography for 7700253--7700255.cif.'
_cod_original_cell_volume        1734.92(13)
_cod_database_code               7700254
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
Mo1 Mo 0.33869(5) 0.00120(4) -0.01448(5) 0.02060(16) Uani 1 1 d .
Mo2 Mo 0.55610(5) 0.04772(5) 0.24182(5) 0.02352(16) Uani 1 1 d .
Mo3 Mo 0.70395(5) 0.25774(5) 0.24617(5) 0.02670(17) Uani 1 1 d .
Mo4 Mo 0.48198(5) 0.20705(4) -0.01248(5) 0.02460(16) Uani 1 1 d .
O1 O 0.3530(4) 0.0652(4) -0.1153(4) 0.0245(10) Uani 1 1 d .
O2 O 0.4140(4) -0.0652(4) 0.0930(4) 0.0252(10) Uani 1 1 d .
O3 O 0.5259(4) 0.1030(3) 0.0930(4) 0.0245(10) Uani 1 1 d .
O4 O 0.6531(4) 0.2754(4) 0.1019(4) 0.0308(11) Uani 1 1 d .
O5 O 0.2224(4) -0.1181(4) -0.1282(4) 0.0293(11) Uani 1 1 d .
O6 O 0.7098(4) 0.1519(4) 0.3079(4) 0.0301(11) Uani 1 1 d .
O7 O 0.2545(4) 0.0849(4) 0.0512(4) 0.0312(11) Uani 1 1 d .
O8 O 0.3951(5) 0.2824(4) 0.0587(4) 0.0371(12) Uani 1 1 d .
O9 O 0.6029(5) -0.0227(4) 0.3251(4) 0.0394(13) Uani 1 1 d .
O10 O 0.4721(5) 0.2502(4) -0.1156(5) 0.0439(14) Uani 1 1 d .
O11 O 0.4635(4) 0.1308(4) 0.2959(4) 0.0338(11) Uani 1 1 d .
O12 O 0.8554(5) 0.3361(4) 0.3287(4) 0.0405(13) Uani 1 1 d .
O13 O 0.6107(5) 0.3369(4) 0.3042(4) 0.0389(12) Uani 1 1 d .
N1 N 0.1312(6) 0.2176(5) -0.4723(6) 0.0413(15) Uani 1 1 d .
H1A H 0.1679 0.2478 -0.5005 0.050 Uiso 1 1 calc R
N2 N 0.2216(6) 0.3327(5) -0.5564(6) 0.0404(15) Uani 1 1 d .
C1 C 0.3117(6) 0.4884(6) -0.6101(6) 0.0293(15) Uani 1 1 d .
C2 C 0.3642(6) 0.5734(6) -0.6336(6) 0.0298(15) Uani 1 1 d .
C3 C -0.1727(9) -0.0153(7) -0.2333(8) 0.053(2) Uani 1 1 d .
H2 H -0.2131 -0.0452 -0.2011 0.063 Uiso 1 1 calc R
C4 C -0.0520(6) 0.0758(6) -0.3287(6) 0.0334(16) Uani 1 1 d .
C5 C 0.0122(6) 0.1241(6) -0.3796(6) 0.0321(16) Uani 1 1 d .
C6 C 0.2014(8) 0.1962(7) -0.3836(8) 0.048(2) Uani 1 1 d .
H3 H 0.2904 0.2127 -0.3531 0.058 Uiso 1 1 calc R
C7 C 0.3538(8) 0.3874(6) -0.6321(7) 0.0427(19) Uani 1 1 d .
H4 H 0.4133 0.3705 -0.6650 0.051 Uiso 1 1 calc R
C8 C 0.2220(7) 0.5067(6) -0.5616(6) 0.0346(16) Uani 1 1 d .
H5 H 0.1897 0.5720 -0.5465 0.042 Uiso 1 1 calc R
C9 C 0.4096(7) 0.5440(7) -0.7214(7) 0.0406(18) Uani 1 1 d .
H6 H 0.4083 0.4696 -0.7665 0.049 Uiso 1 1 calc R
C10 C 0.4601(8) 0.7353(7) -0.6754(7) 0.045(2) Uani 1 1 d .
H7 H 0.4902 0.7890 -0.6908 0.054 Uiso 1 1 calc R
C11 C 0.3064(8) 0.3134(7) -0.6045(8) 0.049(2) Uani 1 1 d .
H8 H 0.3348 0.2463 -0.6203 0.059 Uiso 1 1 calc R
C12 C 0.0049(8) 0.1928(8) -0.5177(8) 0.051(2) Uani 1 1 d .
H9 H -0.0432 0.2076 -0.5809 0.061 Uiso 1 1 calc R
C13 C -0.0436(9) 0.0073(10) -0.1892(10) 0.079(4) Uani 1 1 d .
H10 H 0.0052 -0.0075 -0.1263 0.095 Uiso 1 1 calc R
C14 C 0.3693(7) 0.6860(6) -0.5661(6) 0.0347(16) Uani 1 1 d .
H11 H 0.3390 0.7072 -0.5071 0.042 Uiso 1 1 calc R
C15 C 0.1813(7) 0.4282(7) -0.5361(7) 0.0431(19) Uani 1 1 d .
H12 H 0.1221 0.4427 -0.5027 0.052 Uiso 1 1 calc R
C16 C 0.4570(8) 0.6253(7) -0.7421(7) 0.051(2) Uani 1 1 d .
H13 H 0.4867 0.6050 -0.8014 0.061 Uiso 1 1 calc R
C17 C 1.2682(10) 0.4476(9) -0.0989(10) 0.070(3) Uani 1 1 d .
H14 H 1.3575 0.4610 -0.0641 0.084 Uiso 1 1 calc R
C18 C -0.1836(7) 0.0510(8) -0.3739(8) 0.048(2) Uani 1 1 d .
H15 H -0.2331 0.0643 -0.4377 0.058 Uiso 1 1 calc R
C19 C -0.2433(8) 0.0065(9) -0.3261(9) 0.063(3) Uani 1 1 d .
H16 H -0.3325 -0.0088 -0.3573 0.075 Uiso 1 1 calc R
C20 C 1.1996(8) 0.4028(7) -0.0592(8) 0.053(2) Uani 1 1 d .
H17 H 1.2442 0.3853 0.0027 0.063 Uiso 1 1 calc R
C21 C 0.4188(8) 0.7665(6) -0.5860(7) 0.0435(19) Uani 1 1 d .
H18 H 0.4242 0.8413 -0.5390 0.052 Uiso 1 1 calc R
C22 C 1.0678(7) 0.3822(6) -0.1061(7) 0.0383(18) Uani 1 1 d .
C23 C -0.0573(7) 0.1459(8) -0.4742(8) 0.056(3) Uani 1 1 d .
H19 H -0.1465 0.1285 -0.5085 0.068 Uiso 1 1 calc R
C24 C 0.0177(9) 0.0526(10) -0.2366(9) 0.076(4) Uani 1 1 d .
H20 H 0.1069 0.0671 -0.2053 0.092 Uiso 1 1 calc R
N3 N 1.2027(12) 0.4729(8) -0.1918(9) 0.093(3) Uani 1 1 d .
H21 H 1.2440 0.4997 -0.2194 0.112 Uiso 1 1 calc R
C25 C 0.9974(8) 0.3349(6) -0.0615(7) 0.046(2) Uani 1 1 d D
C26 C 0.8666(14) 0.2485(9) 0.0288(11) 0.076(4) Uani 1 1 d .
H22 H 0.8218 0.2213 0.0599 0.091 Uiso 1 1 calc R
C27 C 0.8667(9) 0.3179(9) -0.1011(10) 0.067(3) Uani 1 1 d .
H23 H 0.8171 0.3351 -0.1619 0.080 Uiso 1 1 calc R
C28 C 0.8075(12) 0.2748(10) -0.0504(14) 0.096(5) Uani 1 1 d .
H24 H 0.7187 0.2656 -0.0781 0.115 Uiso 1 1 calc R
C29 C 1.0732(11) 0.4550(11) -0.2384(11) 0.092(4) Uani 1 1 d .
H25 H 1.0287 0.4735 -0.2996 0.111 Uiso 1 1 calc R
C30 C 1.0648(11) 0.3014(12) 0.0312(11) 0.104(5) Uani 1 1 d D
H26 H 1.1537 0.3089 0.0632 0.125 Uiso 1 1 calc R
C31 C 0.9899(18) 0.2579(14) 0.0695(13) 0.131(6) Uani 1 1 d .
H27 H 1.0307 0.2343 0.1272 0.157 Uiso 1 1 calc R
C32 C 1.0068(10) 0.4101(10) -0.1966(10) 0.082(4) Uani 1 1 d .
H28 H 0.9176 0.3981 -0.2307 0.098 Uiso 1 1 calc R
C33 C 0.1448(7) 0.1497(6) -0.3356(7) 0.0395(18) Uani 1 1 d .
H33 H 0.1959 0.1353 -0.2730 0.047 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'
O O 0.0106 0.0060 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Mo Mo -1.6832 0.6857 '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
O7 Mo1 O5 103.7(2) . .
O7 Mo1 O1 101.2(2) . .
O5 Mo1 O1 97.28(19) . .
O7 Mo1 O2 101.6(2) . .
O5 Mo1 O2 95.45(19) . .
O1 Mo1 O2 150.36(18) . .
O7 Mo1 O3 99.7(2) . .
O5 Mo1 O3 156.5(2) . .
O1 Mo1 O3 78.93(16) . .
O2 Mo1 O3 78.76(16) . .
O7 Mo1 O3 174.58(19) . 2_655
O5 Mo1 O3 81.69(18) . 2_655
O1 Mo1 O3 78.05(16) . 2_655
O2 Mo1 O3 77.47(17) . 2_655
O3 Mo1 O3 74.86(18) . 2_655
O11 Mo2 O9 105.0(2) . .
O11 Mo2 O6 101.0(2) . .
O9 Mo2 O6 100.7(2) . .
O11 Mo2 O2 97.1(2) . .
O9 Mo2 O2 101.8(2) . .
O6 Mo2 O2 146.17(18) . .
O11 Mo2 O3 94.1(2) . .
O9 Mo2 O3 160.8(2) . .
O6 Mo2 O3 77.35(16) . .
O2 Mo2 O3 73.07(15) . .
O11 Mo2 O1 163.29(19) . 2_655
O9 Mo2 O1 89.8(2) . 2_655
O6 Mo2 O1 83.37(18) . 2_655
O2 Mo2 O1 71.84(16) . 2_655
O3 Mo2 O1 70.99(15) . 2_655
O13 Mo3 O12 105.2(2) . .
O13 Mo3 O6 99.3(2) . .
O12 Mo3 O6 102.6(2) . .
O13 Mo3 O4 98.6(2) . .
O12 Mo3 O4 101.8(2) . .
O6 Mo3 O4 144.48(19) . .
O13 Mo3 O5 164.2(2) . 2_655
O12 Mo3 O5 90.5(2) . 2_655
O6 Mo3 O5 78.56(18) . 2_655
O4 Mo3 O5 75.86(18) . 2_655
O13 Mo3 O3 94.4(2) . .
O12 Mo3 O3 160.4(2) . .
O6 Mo3 O3 74.35(16) . .
O4 Mo3 O3 73.95(16) . .
O5 Mo3 O3 69.94(15) 2_655 .
O10 Mo4 O8 105.7(3) . .
O10 Mo4 O4 100.9(2) . .
O8 Mo4 O4 102.1(2) . .
O10 Mo4 O1 100.2(2) . .
O8 Mo4 O1 97.7(2) . .
O4 Mo4 O1 145.87(19) . .
O10 Mo4 O3 160.6(2) . .
O8 Mo4 O3 93.4(2) . .
O4 Mo4 O3 77.75(17) . .
O1 Mo4 O3 73.54(15) . .
O10 Mo4 O2 89.7(2) . 2_655
O8 Mo4 O2 162.99(19) . 2_655
O4 Mo4 O2 81.61(18) . 2_655
O1 Mo4 O2 71.92(16) . 2_655
O3 Mo4 O2 70.95(15) . 2_655
Mo1 O1 Mo4 108.5(2) . .
Mo1 O1 Mo2 110.44(19) . 2_655
Mo4 O1 Mo2 103.72(18) . 2_655
Mo1 O2 Mo2 108.95(19) . .
Mo1 O2 Mo4 110.42(19) . 2_655
Mo2 O2 Mo4 103.73(18) . 2_655
Mo1 O3 Mo4 91.63(15) . .
Mo1 O3 Mo2 91.76(15) . .
Mo4 O3 Mo2 161.7(2) . .
Mo1 O3 Mo1 105.14(18) . 2_655
Mo4 O3 Mo1 98.55(15) . 2_655
Mo2 O3 Mo1 97.93(16) . 2_655
Mo1 O3 Mo3 162.4(2) . .
Mo4 O3 Mo3 85.66(13) . .
Mo2 O3 Mo3 85.67(13) . .
Mo1 O3 Mo3 92.46(15) 2_655 .
Mo4 O4 Mo3 115.5(2) . .
Mo1 O5 Mo3 115.9(2) . 2_655
Mo2 O6 Mo3 116.9(2) . .
C12 N1 C6 120.2(7) . .
C12 N1 H1A 119.9 . .
C6 N1 H1A 119.9 . .
C15 N2 C11 117.3(6) . .
C8 C1 C7 116.7(6) . .
C8 C1 C2 121.9(6) . .
C7 C1 C2 121.4(7) . .
C9 C2 C14 118.4(6) . .
C9 C2 C1 121.6(7) . .
C14 C2 C1 120.0(6) . .
C13 C3 C19 118.9(8) . .
C13 C3 H2 120.5 . .
C19 C3 H2 120.5 . .
C24 C4 C18 117.8(7) . .
C24 C4 C5 121.2(7) . .
C18 C4 C5 121.0(6) . .
C23 C5 C33 116.3(7) . .
C23 C5 C4 121.7(6) . .
C33 C5 C4 122.0(6) . .
N1 C6 C33 121.0(7) . .
N1 C6 H3 119.5 . .
C33 C6 H3 119.5 . .
C11 C7 C1 119.3(7) . .
C11 C7 H4 120.4 . .
C1 C7 H4 120.4 . .
C15 C8 C1 119.8(7) . .
C15 C8 H5 120.1 . .
C1 C8 H5 120.1 . .
C2 C9 C16 120.3(8) . .
C2 C9 H6 119.8 . .
C16 C9 H6 119.8 . .
C16 C10 C21 120.4(7) . .
C16 C10 H7 119.8 . .
C21 C10 H7 119.8 . .
N2 C11 C7 123.4(7) . .
N2 C11 H8 118.3 . .
C7 C11 H8 118.3 . .
N1 C12 C23 121.7(7) . .
N1 C12 H9 119.2 . .
C23 C12 H9 119.2 . .
C3 C13 C24 120.9(8) . .
C3 C13 H10 119.5 . .
C24 C13 H10 119.5 . .
C21 C14 C2 120.8(7) . .
C21 C14 H11 119.6 . .
C2 C14 H11 119.6 . .
N2 C15 C8 123.5(7) . .
N2 C15 H12 118.2 . .
C8 C15 H12 118.2 . .
C10 C16 C9 120.2(8) . .
C10 C16 H13 119.9 . .
C9 C16 H13 119.9 . .
C20 C17 N3 118.8(9) . .
C20 C17 H14 120.6 . .
N3 C17 H14 120.6 . .
C4 C18 C19 121.0(8) . .
C4 C18 H15 119.5 . .
C19 C18 H15 119.5 . .
C3 C19 C18 120.6(8) . .
C3 C19 H16 119.7 . .
C18 C19 H16 119.7 . .
C17 C20 C22 123.3(9) . .
C17 C20 H17 118.4 . .
C22 C20 H17 118.4 . .
C10 C21 C14 119.7(7) . .
C10 C21 H18 120.1 . .
C14 C21 H18 120.1 . .
C32 C22 C20 116.0(8) . .
C32 C22 C25 122.0(8) . .
C20 C22 C25 122.1(7) . .
C12 C23 C5 120.3(7) . .
C12 C23 H19 119.9 . .
C5 C23 H19 119.9 . .
C4 C24 C13 120.7(8) . .
C4 C24 H20 119.7 . .
C13 C24 H20 119.7 . .
C29 N3 C17 119.1(9) . .
C29 N3 H21 120.4 . .
C17 N3 H21 120.4 . .
C27 C25 C22 124.3(8) . .
C27 C25 C30 115.1(9) . .
C22 C25 C30 120.6(8) . .
C28 C26 C31 121.0(11) . .
C28 C26 H22 119.5 . .
C31 C26 H22 119.5 . .
C25 C27 C28 120.2(11) . .
C25 C27 H23 119.9 . .
C28 C27 H23 119.9 . .
C26 C28 C27 123.5(12) . .
C26 C28 H24 118.2 . .
C27 C28 H24 118.2 . .
N3 C29 C32 120.7(10) . .
N3 C29 H25 119.6 . .
C32 C29 H25 119.6 . .
C31 C30 C25 116.8(12) . .
C31 C30 H26 121.6 . .
C25 C30 H26 121.6 . .
C26 C31 C30 123.3(14) . .
C26 C31 H27 118.4 . .
C30 C31 H27 118.4 . .
C29 C32 C22 122.0(9) . .
C29 C32 H28 119.0 . .
C22 C32 H28 119.0 . .
C6 C33 C5 120.6(7) . .
C6 C33 H33 119.7 . .
C5 C33 H33 119.7 . .
loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_site_symmetry_2
Mo1 O7 1.683(5) .
Mo1 O5 1.764(4) .
Mo1 O1 1.947(4) .
Mo1 O2 1.954(4) .
Mo1 O3 2.135(4) .
Mo1 O3 2.358(5) 2_655
Mo2 O11 1.686(5) .
Mo2 O9 1.704(5) .
Mo2 O6 1.900(4) .
Mo2 O2 1.998(4) .
Mo2 O3 2.341(4) .
Mo2 O1 2.359(4) 2_655
Mo3 O13 1.691(5) .
Mo3 O12 1.707(5) .
Mo3 O6 1.921(4) .
Mo3 O4 1.939(4) .
Mo3 O5 2.316(5) 2_655
Mo3 O3 2.447(4) .
Mo4 O10 1.694(5) .
Mo4 O8 1.698(5) .
Mo4 O4 1.898(4) .
Mo4 O1 1.996(4) .
Mo4 O3 2.323(4) .
Mo4 O2 2.357(5) 2_655
O1 Mo2 2.359(4) 2_655
O2 Mo4 2.357(5) 2_655
O3 Mo1 2.358(5) 2_655
O5 Mo3 2.316(5) 2_655
N1 C12 1.317(10) .
N1 C6 1.319(10) .
N1 H1A 0.8600 .
N2 C15 1.325(10) .
N2 C11 1.335(10) .
C1 C8 1.390(10) .
C1 C7 1.398(10) .
C1 C2 1.488(9) .
C2 C9 1.389(10) .
C2 C14 1.398(10) .
C3 C13 1.347(12) .
C3 C19 1.367(12) .
C3 H2 0.9300 .
C4 C24 1.369(10) .
C4 C18 1.374(10) .
C4 C5 1.481(9) .
C5 C23 1.383(10) .
C5 C33 1.386(9) .
C6 C33 1.375(10) .
C6 H3 0.9300 .
C7 C11 1.373(10) .
C7 H4 0.9300 .
C8 C15 1.369(10) .
C8 H5 0.9300 .
C9 C16 1.392(11) .
C9 H6 0.9300 .
C10 C16 1.372(12) .
C10 C21 1.374(11) .
C10 H7 0.9300 .
C11 H8 0.9300 .
C12 C23 1.371(10) .
C12 H9 0.9300 .
C13 C24 1.393(11) .
C13 H10 0.9300 .
C14 C21 1.386(10) .
C14 H11 0.9300 .
C15 H12 0.9300 .
C16 H13 0.9300 .
C17 C20 1.363(12) .
C17 N3 1.384(13) .
C17 H14 0.9300 .
C18 C19 1.378(11) .
C18 H15 0.9300 .
C19 H16 0.9300 .
C20 C22 1.373(11) .
C20 H17 0.9300 .
C21 H18 0.9300 .
C22 C32 1.372(12) .
C22 C25 1.451(11) .
C23 H19 0.9300 .
C24 H20 0.9300 .
N3 C29 1.350(14) .
N3 H21 0.8600 .
C25 C27 1.368(12) .
C25 C30 1.458(8) .
C26 C28 1.229(17) .
C26 C31 1.293(19) .
C26 H22 0.9300 .
C27 C28 1.395(15) .
C27 H23 0.9300 .
C28 H24 0.9300 .
C29 C32 1.368(14) .
C29 H25 0.9300 .
C30 C31 1.391(16) .
C30 H26 0.9300 .
C31 H27 0.9300 .
C32 H28 0.9300 .
C33 H33 0.9300 .
