#------------------------------------------------------------------------------
#$Date: 2021-04-16 11:46:56 +0300 (Fri, 16 Apr 2021) $
#$Revision: 264242 $
#$URL: file:///home/coder/svn-repositories/cod/cif/4/34/32/4343221.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_4343221
loop_
_publ_author_name
'Qiu, Jie'
'Vlaisavljevich, Bess'
'Jouffret, Laurent'
'Nguyen, Kevin'
'Szymanowski, Jennifer E. S.'
'Gagliardi, Laura'
'Burns, Peter C.'
_publ_section_title
;
 Cation templating and electronic structure effects in uranyl cage
 clusters probed by the isolation of peroxide-bridged uranyl dimers.
;
_journal_issue                   9
_journal_name_full               'Inorganic chemistry'
_journal_page_first              4445
_journal_page_last               4455
_journal_paper_doi               10.1021/acs.inorgchem.5b00248
_journal_volume                  54
_journal_year                    2015
_chemical_formula_moiety         (UO2)2(O2)(H2O)2(C7H3O4N)2(C4H12N)2(H2O)14/3
_chemical_formula_sum            'C22 N4 O20.66666 U2'
_chemical_formula_weight         1126.99
_chemical_melting_point          ?
_chemical_name_common            dimer7
_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   none
_atom_sites_solution_primary     direct
_atom_sites_solution_secondary   difmap
_audit_creation_method           SHELXL-97
_cell_angle_alpha                90.9440(10)
_cell_angle_beta                 97.8460(10)
_cell_angle_gamma                104.4100(10)
_cell_formula_units_Z            3
_cell_length_a                   12.1598(11)
_cell_length_b                   12.4557(11)
_cell_length_c                   18.0833(16)
_cell_measurement_reflns_used    11875
_cell_measurement_temperature    100(2)
_cell_measurement_theta_max      27.44
_cell_measurement_theta_min      1.14
_cell_volume                     2624.2(4)
_computing_cell_refinement       APEX2
_computing_data_collection       APEX2
_computing_data_reduction        APEX2
_computing_molecular_graphics    CrystalMaker
_computing_publication_material  'SHELCIF-97 (Sheldrick, 2008)'
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 2008)'
_computing_structure_solution    'SHELXS-97 (Sheldrick, 2008)'
_diffrn_ambient_temperature      100(2)
_diffrn_detector_area_resol_mean 0
_diffrn_measured_fraction_theta_full 0.991
_diffrn_measured_fraction_theta_max 0.991
_diffrn_measurement_device_type  'Bruker APEX2 QUAZAR'
_diffrn_measurement_method       Sphere
_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  0.0281
_diffrn_reflns_av_sigmaI/netI    0.0340
_diffrn_reflns_limit_h_max       15
_diffrn_reflns_limit_h_min       -15
_diffrn_reflns_limit_k_max       16
_diffrn_reflns_limit_k_min       -16
_diffrn_reflns_limit_l_max       23
_diffrn_reflns_limit_l_min       -23
_diffrn_reflns_number            31300
_diffrn_reflns_theta_full        27.44
_diffrn_reflns_theta_max         27.44
_diffrn_reflns_theta_min         1.14
_exptl_absorpt_coefficient_mu    9.329
_exptl_absorpt_correction_T_max  0.520
_exptl_absorpt_correction_T_min  0.257
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   SADABS
_exptl_crystal_colour            yellow
_exptl_crystal_density_diffrn    2.139
_exptl_crystal_density_meas      ?
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       block
_exptl_crystal_F_000             1528
_exptl_crystal_size_max          0.160
_exptl_crystal_size_mid          0.125
_exptl_crystal_size_min          0.070
_refine_diff_density_max         3.104
_refine_diff_density_min         -0.809
_refine_diff_density_rms         0.170
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.024
_refine_ls_hydrogen_treatment    none
_refine_ls_matrix_type           full
_refine_ls_number_parameters     658
_refine_ls_number_reflns         11875
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      1.024
_refine_ls_R_factor_all          0.0324
_refine_ls_R_factor_gt           0.0271
_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)+(0.0361P)²+10.4146P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0699
_refine_ls_wR_factor_ref         0.0733
_reflns_number_gt                10578
_reflns_number_total             11875
_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            ic5b00248_si_001.cif
_cod_data_source_block           dimer7
_cod_depositor_comments
;
The following automatic conversions were performed:

'_chemical_melting_point' value 'n/a' was changed to '?' - the value
is undefined or not given.

'_symmetry_cell_setting' value 'Triclinic' changed to 'triclinic'
according to
/usr/data/users/saulius/crontab/automatic-downloads/current/ACS/lib/dictionaries/cif_core.dic
dictionary named 'cif_core.dic' version 2.4.2 from 2011-04-26.

'_exptl_crystal_density_meas' value 'n/a' was changed to '?' - the
value is perceived as not measured.

Automatic conversion script
Id: cif_fix_values 3271 2015-04-21 07:52:19Z andrius 

2021-04-15
Z value and formula fixed to values more according to usual
chemical conventions.                 miguel
;
_cod_original_formula_sum            'C66 N12 O62 U6'
_cod_original_formula_weight         3380.96
_cod_original_formula_moiety         (UO2)6(O2)3(H2O)6(C7H3O4N)6(C4H12N)6(H2O)14
_cod_original_formula_units_Z            1
_cod_original_sg_symbol_H-M      P-1
_cod_database_code               4343221
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
U1 U 0.977308(14) 0.855903(14) 0.309344(9) 0.01047(5) Uani 1 1 d
U2 U 0.662046(15) 0.783523(14) 0.403660(9) 0.01076(5) Uani 1 1 d
U3 U 0.327415(14) 0.498593(14) 0.028350(9) 0.01125(5) Uani 1 1 d
O1 O 0.2567(3) 0.4474(3) -0.06287(18) 0.0159(7) Uani 1 1 d
O2 O 0.7063(3) 0.8418(3) 0.49696(19) 0.0155(7) Uani 1 1 d
O3 O 0.6285(3) 0.9591(3) 0.35880(19) 0.0164(7) Uani 1 1 d
O4 O 0.6100(3) 0.7237(3) 0.31105(19) 0.0172(7) Uani 1 1 d
O5 O 0.9238(3) 1.0260(3) 0.26337(18) 0.0149(7) Uani 1 1 d
O6 O 0.3904(3) 0.5526(3) 0.12113(19) 0.0185(7) Uani 1 1 d
O7 O 0.8794(3) 0.7672(3) 0.23783(19) 0.0172(7) Uani 1 1 d
O8 O 1.0822(3) 0.9452(3) 0.37692(19) 0.0156(7) Uani 1 1 d
O9 O 0.5061(3) 0.5569(3) -0.0129(2) 0.0164(7) Uani 1 1 d
O10 O 0.1596(3) 0.4042(3) 0.0852(2) 0.0171(7) Uani 1 1 d
O11 O 1.0189(3) 0.6961(3) 0.3737(2) 0.0173(7) Uani 1 1 d
O12 O 0.7191(3) 0.6142(3) 0.4405(2) 0.0208(8) Uani 1 1 d
O13 O 0.3153(3) 0.3045(3) 0.0576(2) 0.0192(8) Uani 1 1 d
O14 O 0.3489(3) 0.6854(3) -0.0212(2) 0.0197(8) Uani 1 1 d
O15 O 0.8576(3) 0.7954(3) 0.39818(19) 0.0153(7) Uani 1 1 d
O16 O 0.5154(3) 0.6401(3) 0.4493(2) 0.0171(7) Uani 1 1 d
O17 O 0.8301(3) 0.8964(3) 0.36723(19) 0.0155(7) Uani 1 1 d
O18 O 1.0783(3) 0.9437(3) 0.20903(19) 0.0170(7) Uani 1 1 d
O19 O 0.5175(3) 1.0768(3) 0.3298(2) 0.0218(8) Uani 1 1 d
O20 O 1.2234(3) 0.9812(3) 0.1428(2) 0.0211(8) Uani 1 1 d
O21 O 1.1164(3) 0.5677(3) 0.4001(2) 0.0220(8) Uani 1 1 d
O22 O 0.0184(3) 0.4028(3) 0.1525(2) 0.0262(9) Uani 1 1 d
O23 O 0.3755(3) 0.5902(3) 0.5202(2) 0.0238(8) Uani 1 1 d
O24 O 0.2772(3) 0.8253(3) -0.0648(2) 0.0238(8) Uani 1 1 d
O25 O 0.9279(3) 0.6134(3) 0.5088(2) 0.0204(8) Uani 1 1 d
O26W O 0.4584(3) 1.0619(3) 0.1747(2) 0.0272(9) Uani 1 1 d
O27W O 0.8277(3) 1.1355(3) 0.3550(2) 0.0206(8) Uani 1 1 d
O28W O 0.5052(3) 0.2699(3) 0.1274(2) 0.0225(8) Uani 1 1 d
O29W O -0.0525(4) 0.1802(3) 0.1500(2) 0.0275(9) Uani 1 1 d
O30W O 1.1284(4) 1.1400(4) 0.0758(3) 0.0351(10) Uani 1 1 d
O31W O 0.9922(4) 0.8805(4) 0.5411(2) 0.0372(11) Uani 1 1 d
N1 N 1.1451(3) 0.7823(3) 0.2747(2) 0.0124(8) Uani 1 1 d
N2 N 0.4743(3) 0.8307(3) 0.4252(2) 0.0119(8) Uani 1 1 d
N3 N 0.1717(3) 0.6038(3) 0.0448(2) 0.0144(8) Uani 1 1 d
N4 N 0.6571(4) 0.8754(3) 0.1122(2) 0.0160(9) Uani 1 1 d
N5 N 0.7412(4) 0.6998(4) 0.6855(2) 0.0200(9) Uani 1 1 d
N6 N 0.7528(4) 0.4006(4) 0.2824(3) 0.0262(11) Uani 1 1 d
C1 C 0.5385(4) 0.9946(4) 0.3606(3) 0.0136(9) Uani 1 1 d
C2 C 0.3617(4) 0.9628(4) 0.4270(3) 0.0145(10) Uani 1 1 d
C3 C 0.4035(4) 0.7642(4) 0.4661(3) 0.0133(9) Uani 1 1 d
C4 C 0.2743(4) 0.7437(4) -0.0270(3) 0.0156(10) Uani 1 1 d
C5 C 1.0980(4) 0.6479(4) 0.3665(3) 0.0144(9) Uani 1 1 d
C6 C 1.1752(4) 0.6981(4) 0.3103(3) 0.0124(9) Uani 1 1 d
C7 C 1.3351(4) 0.7119(4) 0.2438(3) 0.0161(10) Uani 1 1 d
C8 C 1.2699(4) 0.6608(4) 0.2973(3) 0.0169(10) Uani 1 1 d
C9 C 1.2080(4) 0.8317(4) 0.2240(3) 0.0130(9) Uani 1 1 d
C10 C 0.6590(5) 0.9361(4) 0.1846(3) 0.0206(11) Uani 1 1 d
C11 C 1.3038(4) 0.7988(4) 0.2061(3) 0.0178(10) Uani 1 1 d
C12 C 0.4536(4) 0.9277(4) 0.4060(3) 0.0131(9) Uani 1 1 d
C13 C 0.2895(4) 0.8956(4) 0.4712(3) 0.0157(10) Uani 1 1 d
C14 C 1.1680(4) 0.9265(4) 0.1883(3) 0.0142(9) Uani 1 1 d
C15 C 0.1772(4) 0.7040(4) 0.0177(3) 0.0151(10) Uani 1 1 d
C16 C 0.4326(4) 0.6549(4) 0.4807(3) 0.0147(10) Uani 1 1 d
C17 C 0.0070(4) 0.6187(5) 0.1004(3) 0.0203(11) Uani 1 1 d
C18 C 0.0870(4) 0.4467(4) 0.1104(3) 0.0173(10) Uani 1 1 d
C19 C 0.6239(5) 0.7527(4) 0.1226(3) 0.0243(12) Uani 1 1 d
C20 C 0.0122(5) 0.7215(4) 0.0715(3) 0.0196(11) Uani 1 1 d
C21 C 0.0880(4) 0.5617(4) 0.0856(3) 0.0161(10) Uani 1 1 d
C22 C 0.0991(5) 0.7655(4) 0.0292(3) 0.0194(11) Uani 1 1 d
C23 C 0.7748(5) 0.9074(5) 0.0882(3) 0.0242(12) Uani 1 1 d
C24 C 0.3119(4) 0.7949(4) 0.4918(3) 0.0169(10) Uani 1 1 d
C25 C 0.5716(5) 0.9052(5) 0.0533(3) 0.0265(12) Uani 1 1 d
C26 C 0.6472(6) 0.3314(7) 0.3071(4) 0.0431(17) Uani 1 1 d
C27 C 0.7837(6) 0.3353(7) 0.2209(4) 0.0429(18) Uani 1 1 d
C28 C 0.8459(7) 0.4198(7) 0.3498(5) 0.060(2) Uani 1 1 d
C29 C 0.6516(8) 0.6457(7) 0.6229(4) 0.062(3) Uani 1 1 d
C30 C 0.7121(8) 0.6481(7) 0.7579(4) 0.054(2) Uani 1 1 d
C31 C 0.7555(8) 0.8230(6) 0.6933(5) 0.057(2) Uani 1 1 d
C32 C 0.8526(7) 0.6783(7) 0.6706(5) 0.054(2) Uani 1 1 d
C33 C 0.7354(12) 0.5075(7) 0.2558(6) 0.086(4) 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
O O 0.0106 0.0060 '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'
N N 0.0061 0.0033 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
C C 0.0033 0.0016 '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
O8 U1 O7 176.26(16) . .
O8 U1 O15 91.94(14) . .
O7 U1 O15 91.62(14) . .
O8 U1 O17 90.28(14) . .
O7 U1 O17 93.26(14) . .
O15 U1 O17 36.95(11) . .
O8 U1 O11 89.01(14) . .
O7 U1 O11 91.30(14) . .
O15 U1 O11 67.30(11) . .
O17 U1 O11 104.17(11) . .
O8 U1 O18 89.99(14) . .
O7 U1 O18 86.74(14) . .
O15 U1 O18 168.66(11) . .
O17 U1 O18 131.90(11) . .
O11 U1 O18 123.93(11) . .
O8 U1 O5 86.85(13) . .
O7 U1 O5 93.38(14) . .
O15 U1 O5 104.29(11) . .
O17 U1 O5 67.34(11) . .
O11 U1 O5 170.51(11) . .
O18 U1 O5 64.65(11) . .
O8 U1 N1 85.75(14) . .
O7 U1 N1 91.11(14) . .
O15 U1 N1 129.22(12) . .
O17 U1 N1 165.57(12) . .
O11 U1 N1 61.95(12) . .
O18 U1 N1 62.07(12) . .
O5 U1 N1 126.13(12) . .
O2 U2 O4 176.97(16) . .
O2 U2 O17 90.03(14) . .
O4 U2 O17 92.68(14) . .
O2 U2 O15 86.91(14) . .
O4 U2 O15 96.09(14) . .
O17 U2 O15 36.54(11) . .
O2 U2 O16 88.85(14) . .
O4 U2 O16 88.81(14) . .
O17 U2 O16 167.44(11) . .
O15 U2 O16 130.89(11) . .
O2 U2 O12 90.47(14) . .
O4 U2 O12 90.25(14) . .
O17 U2 O12 103.16(11) . .
O15 U2 O12 66.80(11) . .
O16 U2 O12 64.34(12) . .
O2 U2 O3 91.53(14) . .
O4 U2 O3 88.14(14) . .
O17 U2 O3 69.38(11) . .
O15 U2 O3 105.86(11) . .
O16 U2 O3 123.16(11) . .
O12 U2 O3 172.27(12) . .
O2 U2 N2 81.67(14) . .
O4 U2 N2 95.52(14) . .
O17 U2 N2 130.22(12) . .
O15 U2 N2 162.84(12) . .
O16 U2 N2 61.92(12) . .
O12 U2 N2 125.74(12) . .
O3 U2 N2 61.96(12) . .
O1 U3 O6 176.33(16) . .
O1 U3 O9 92.59(14) . .
O6 U3 O9 90.43(14) . .
O1 U3 O9 93.61(14) . 2_665
O6 U3 O9 90.05(15) . 2_665
O9 U3 O9 36.79(15) . 2_665
O1 U3 O10 91.66(14) . .
O6 U3 O10 85.85(14) . .
O9 U3 O10 166.66(12) . .
O9 U3 O10 130.26(11) 2_665 .
O1 U3 O13 87.05(14) . .
O6 U3 O13 94.27(14) . .
O9 U3 O13 103.52(11) . .
O9 U3 O13 66.87(11) 2_665 .
O10 U3 O13 64.08(11) . .
O1 U3 O14 85.88(14) . .
O6 U3 O14 93.19(14) . .
O9 U3 O14 70.30(11) . .
O9 U3 O14 107.06(11) 2_665 .
O10 U3 O14 122.65(12) . .
O13 U3 O14 170.37(12) . .
O1 U3 N3 90.89(14) . .
O6 U3 N3 85.56(15) . .
O9 U3 N3 131.31(12) . .
O9 U3 N3 167.43(12) 2_665 .
O10 U3 N3 61.22(12) . .
O13 U3 N3 125.16(12) . .
O14 U3 N3 61.55(12) . .
C1 O3 U2 127.4(3) . .
O9 O9 U3 71.7(3) 2_665 .
O9 O9 U3 71.5(3) 2_665 2_665
U3 O9 U3 143.21(15) . 2_665
C18 O10 U3 127.9(3) . .
C5 O11 U1 128.6(3) . .
C4 O14 U3 127.3(3) . .
O17 O15 U1 72.29(18) . .
O17 O15 U2 71.56(18) . .
U1 O15 U2 133.52(15) . .
C16 O16 U2 126.4(3) . .
O15 O17 U1 70.76(18) . .
O15 O17 U2 71.89(18) . .
U1 O17 U2 132.61(15) . .
C14 O18 U1 127.5(3) . .
C9 N1 C6 118.6(4) . .
C9 N1 U1 120.5(3) . .
C6 N1 U1 120.8(3) . .
C12 N2 C3 118.9(4) . .
C12 N2 U2 121.1(3) . .
C3 N2 U2 119.4(3) . .
C15 N3 C21 118.3(4) . .
C15 N3 U3 121.2(3) . .
C21 N3 U3 120.3(3) . .
C10 N4 C19 109.0(4) . .
C10 N4 C25 109.5(4) . .
C19 N4 C25 109.9(4) . .
C10 N4 C23 109.7(4) . .
C19 N4 C23 109.5(4) . .
C25 N4 C23 109.2(4) . .
C29 N5 C32 107.7(6) . .
C29 N5 C31 112.7(6) . .
C32 N5 C31 108.9(6) . .
C29 N5 C30 109.7(5) . .
C32 N5 C30 108.4(6) . .
C31 N5 C30 109.4(6) . .
C33 N6 C26 111.4(7) . .
C33 N6 C27 110.5(6) . .
C26 N6 C27 107.8(5) . .
C33 N6 C28 110.5(7) . .
C26 N6 C28 106.4(5) . .
C27 N6 C28 110.1(6) . .
O19 C1 O3 126.3(5) . .
O19 C1 C12 119.3(4) . .
O3 C1 C12 114.4(4) . .
C12 C2 C13 119.2(4) . .
N2 C3 C24 122.4(4) . .
N2 C3 C16 113.7(4) . .
C24 C3 C16 123.9(4) . .
O24 C4 O14 125.7(5) . .
O24 C4 C15 119.9(5) . .
O14 C4 C15 114.3(4) . .
O21 C5 O11 126.7(5) . .
O21 C5 C6 119.0(4) . .
O11 C5 C6 114.3(4) . .
N1 C6 C8 122.9(4) . .
N1 C6 C5 114.2(4) . .
C8 C6 C5 122.9(4) . .
C11 C7 C8 119.0(5) . .
C6 C8 C7 118.5(5) . .
N1 C9 C11 122.8(4) . .
N1 C9 C14 114.3(4) . .
C11 C9 C14 122.9(4) . .
C7 C11 C9 118.3(5) . .
N2 C12 C2 122.4(5) . .
N2 C12 C1 114.0(4) . .
C2 C12 C1 123.6(4) . .
C24 C13 C2 118.4(5) . .
O20 C14 O18 125.4(5) . .
O20 C14 C9 119.5(4) . .
O18 C14 C9 115.1(4) . .
N3 C15 C22 122.8(5) . .
N3 C15 C4 114.1(4) . .
C22 C15 C4 123.2(5) . .
O23 C16 O16 127.1(5) . .
O23 C16 C3 118.5(4) . .
O16 C16 C3 114.4(4) . .
C20 C17 C21 119.0(5) . .
O22 C18 O10 126.1(5) . .
O22 C18 C21 119.2(5) . .
O10 C18 C21 114.7(4) . .
C17 C20 C22 118.7(5) . .
N3 C21 C17 122.4(5) . .
N3 C21 C18 113.8(4) . .
C17 C21 C18 123.7(5) . .
C15 C22 C20 118.8(5) . .
C13 C24 C3 118.8(5) . .
loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_site_symmetry_2
U1 O8 1.783(3) .
U1 O7 1.786(3) .
U1 O15 2.324(3) .
U1 O17 2.344(3) .
U1 O11 2.447(3) .
U1 O18 2.449(3) .
U1 O5 2.490(3) .
U1 N1 2.580(4) .
U2 O2 1.783(3) .
U2 O4 1.788(3) .
U2 O17 2.357(3) .
U2 O15 2.361(3) .
U2 O16 2.433(3) .
U2 O12 2.454(3) .
U2 O3 2.454(3) .
U2 N2 2.571(4) .
U3 O1 1.781(3) .
U3 O6 1.791(3) .
U3 O9 2.341(3) .
U3 O9 2.345(3) 2_665
U3 O10 2.454(3) .
U3 O13 2.456(4) .
U3 O14 2.473(4) .
U3 N3 2.601(4) .
O3 C1 1.282(6) .
O9 O9 1.479(6) 2_665
O9 U3 2.345(3) 2_665
O10 C18 1.266(6) .
O11 C5 1.273(6) .
O14 C4 1.290(6) .
O15 O17 1.479(4) .
O16 C16 1.271(6) .
O18 C14 1.265(6) .
O19 C1 1.238(6) .
O20 C14 1.240(6) .
O21 C5 1.231(6) .
O22 C18 1.239(6) .
O23 C16 1.232(6) .
O24 C4 1.231(6) .
N1 C9 1.333(6) .
N1 C6 1.342(6) .
N2 C12 1.336(6) .
N2 C3 1.346(6) .
N3 C15 1.339(6) .
N3 C21 1.343(6) .
N4 C10 1.496(6) .
N4 C19 1.502(7) .
N4 C25 1.502(7) .
N4 C23 1.512(7) .
N5 C29 1.482(8) .
N5 C32 1.501(9) .
N5 C31 1.504(8) .
N5 C30 1.515(8) .
N6 C33 1.478(9) .
N6 C26 1.485(8) .
N6 C27 1.510(8) .
N6 C28 1.517(9) .
C1 C12 1.503(7) .
C2 C12 1.392(7) .
C2 C13 1.400(7) .
C3 C24 1.397(7) .
C3 C16 1.508(7) .
C4 C15 1.509(7) .
C5 C6 1.514(7) .
C6 C8 1.391(7) .
C7 C11 1.393(7) .
C7 C8 1.395(7) .
C9 C11 1.402(7) .
C9 C14 1.509(7) .
C13 C24 1.393(7) .
C15 C22 1.393(7) .
C17 C20 1.382(8) .
C17 C21 1.400(7) .
C18 C21 1.505(7) .
C20 C22 1.396(8) .
