#------------------------------------------------------------------------------
#$Date: 2019-03-05 10:52:05 +0200 (Tue, 05 Mar 2019) $
#$Revision: 213973 $
#$URL: file:///home/coder/svn-repositories/cod/cif/7/01/04/7010425.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_7010425
loop_
_publ_author_name
'Liddle, Stephen T.'
'Clegg, William'
_publ_section_title
;
 Cation-induced structural variations in the alkali metal derivatives
 of 2-trimethylsilylaminopyridine: synthesis and X-ray structures of
 complexes for all five metals Li--Cs with 12-crown-4 †
;
_journal_issue                   4
_journal_name_full
'Journal of the Chemical Society, Dalton Transactions'
_journal_page_first              402
_journal_paper_doi               10.1039/b008852h
_journal_year                    2001
_chemical_formula_sum            'C52 H84 Cs4 N8 O16'
_chemical_formula_weight         1608.91
_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                93.177(2)
_cell_angle_beta                 111.692(2)
_cell_angle_gamma                93.177(2)
_cell_formula_units_Z            1
_cell_length_a                   10.7464(7)
_cell_length_b                   11.5129(7)
_cell_length_c                   13.7340(8)
_cell_measurement_reflns_used    10055
_cell_measurement_temperature    150(2)
_cell_measurement_theta_max      29.12
_cell_measurement_theta_min      2.43
_cell_volume                     1571.16(17)
_computing_cell_refinement       'Bruker SAINT'
_computing_data_collection       'Bruker SMART'
_computing_data_reduction        'Bruker SAINT'
_computing_molecular_graphics    'Bruker SHELXTL'
_computing_publication_material  'Bruker SHELXTL and local programs'
_computing_structure_refinement  'Bruker SHELXTL'
_computing_structure_solution    'Bruker SHELXTL'
_diffrn_ambient_temperature      150(2)
_diffrn_measured_fraction_theta_full 0.992
_diffrn_measured_fraction_theta_max 0.886
_diffrn_measurement_device_type  'Bruker SMART 1K CCD diffractometer'
_diffrn_measurement_method       'ω rotation with narrow frames'
_diffrn_radiation_monochromator  'silicon 111'
_diffrn_radiation_source         'Daresbury SRS station 9.8'
_diffrn_radiation_type           synchrotron
_diffrn_radiation_wavelength     0.69300
_diffrn_reflns_av_R_equivalents  0.0319
_diffrn_reflns_av_sigmaI/netI    0.0635
_diffrn_reflns_limit_h_max       14
_diffrn_reflns_limit_h_min       -14
_diffrn_reflns_limit_k_max       15
_diffrn_reflns_limit_k_min       -15
_diffrn_reflns_limit_l_max       19
_diffrn_reflns_limit_l_min       -19
_diffrn_reflns_number            15504
_diffrn_reflns_theta_full        26.00
_diffrn_reflns_theta_max         29.20
_diffrn_reflns_theta_min         1.73
_diffrn_standards_decay_%        0
_diffrn_standards_number         0
_exptl_absorpt_coefficient_mu    2.371
_exptl_absorpt_correction_T_max  0.831
_exptl_absorpt_correction_T_min  0.588
_exptl_absorpt_correction_type   multi-scan
_exptl_crystal_colour            yellow
_exptl_crystal_density_diffrn    1.700
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       plate
_exptl_crystal_F_000             800
_exptl_crystal_size_max          0.24
_exptl_crystal_size_mid          0.04
_exptl_crystal_size_min          0.04
_refine_diff_density_max         2.038
_refine_diff_density_min         -2.141
_refine_diff_density_rms         0.144
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   0.908
_refine_ls_hydrogen_treatment    mixed
_refine_ls_matrix_type           full
_refine_ls_number_parameters     367
_refine_ls_number_reflns         8156
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      0.908
_refine_ls_R_factor_all          0.0529
_refine_ls_R_factor_gt           0.0371
_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)+(0.0438P)²+0.0000P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0839
_refine_ls_wR_factor_ref         0.0871
_reflns_number_gt                5920
_reflns_number_total             8156
_reflns_threshold_expression     I>2σ(I)
_cod_data_source_file            b008852h.txt
_cod_data_source_block           6
_cod_original_sg_symbol_H-M      P-1
_cod_database_code               7010425
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
Cs1 Cs 0.36875(2) 0.61782(2) 0.515571(18) 0.01925(7) Uani 1 1 d . . .
Cs2 Cs 0.55721(2) 0.41460(2) 0.792021(19) 0.02215(7) Uani 1 1 d . . .
N1 N 0.7061(3) 0.6306(3) 0.6400(3) 0.0241(7) Uani 1 1 d . . .
N2 N 0.6328(4) 0.6590(3) 0.4629(3) 0.0259(8) Uani 1 1 d . . .
H2N H 0.633(5) 0.720(4) 0.421(4) 0.031 Uiso 1 1 d . . .
C1 C 0.7794(4) 0.6708(4) 0.7397(3) 0.0281(9) Uani 1 1 d . . .
H1 H 0.7817 0.6207 0.7929 0.034 Uiso 1 1 calc R . .
C2 C 0.8511(4) 0.7770(4) 0.7718(3) 0.0287(10) Uani 1 1 d . . .
H2 H 0.9020 0.7988 0.8441 0.034 Uiso 1 1 calc R . .
C3 C 0.8465(4) 0.8520(4) 0.6947(4) 0.0286(10) Uani 1 1 d . . .
H3 H 0.8933 0.9273 0.7133 0.034 Uiso 1 1 calc R . .
C4 C 0.7733(4) 0.8154(4) 0.5913(3) 0.0253(9) Uani 1 1 d . . .
H4 H 0.7694 0.8663 0.5383 0.030 Uiso 1 1 calc R . .
C5 C 0.7025(4) 0.7014(3) 0.5618(3) 0.0194(8) Uani 1 1 d . . .
N3 N 0.3060(4) 0.3002(3) 0.8413(3) 0.0275(8) Uani 1 1 d . . .
N4 N 0.3474(4) 0.4055(3) 1.0041(3) 0.0357(9) Uani 1 1 d . . .
H4N H 0.399(5) 0.461(4) 0.972(4) 0.043 Uiso 1 1 d . . .
C6 C 0.2444(4) 0.2049(4) 0.7769(4) 0.0324(10) Uani 1 1 d . . .
H6 H 0.2494 0.1998 0.7092 0.039 Uiso 1 1 calc R . .
C7 C 0.1749(5) 0.1142(4) 0.8006(4) 0.0340(11) Uani 1 1 d . . .
H7 H 0.1307 0.0505 0.7504 0.041 Uiso 1 1 calc R . .
C8 C 0.1718(4) 0.1193(4) 0.9010(4) 0.0345(11) Uani 1 1 d . . .
H8 H 0.1273 0.0573 0.9215 0.041 Uiso 1 1 calc R . .
C9 C 0.2334(4) 0.2142(4) 0.9702(4) 0.0297(10) Uani 1 1 d . . .
H9 H 0.2331 0.2168 1.0394 0.036 Uiso 1 1 calc R . .
C10 C 0.2985(4) 0.3102(4) 0.9394(3) 0.0231(9) Uani 1 1 d . . .
O1 O 0.8783(3) 0.4000(2) 0.8730(2) 0.0245(6) Uani 1 1 d . . .
O2 O 0.7279(3) 0.2932(2) 0.9840(2) 0.0254(6) Uani 1 1 d . . .
O3 O 0.5748(3) 0.1345(2) 0.8084(2) 0.0254(6) Uani 1 1 d . . .
O4 O 0.7211(3) 0.2427(2) 0.6966(2) 0.0227(6) Uani 1 1 d . . .
C11 C 0.9433(4) 0.3505(4) 0.9703(3) 0.0253(9) Uani 1 1 d . . .
H11A H 1.0323 0.3929 1.0093 0.030 Uiso 1 1 calc R . .
H11B H 0.9566 0.2675 0.9573 0.030 Uiso 1 1 calc R . .
C12 C 0.8549(4) 0.3607(4) 1.0331(3) 0.0235(9) Uani 1 1 d . . .
H12A H 0.9022 0.3342 1.1038 0.028 Uiso 1 1 calc R . .
H12B H 0.8388 0.4438 1.0420 0.028 Uiso 1 1 calc R . .
C13 C 0.7335(5) 0.1709(4) 0.9906(3) 0.0292(10) Uani 1 1 d . . .
H13A H 0.7501 0.1513 1.0634 0.035 Uiso 1 1 calc R . .
H13B H 0.8075 0.1439 0.9707 0.035 Uiso 1 1 calc R . .
C14 C 0.6006(5) 0.1124(4) 0.9162(3) 0.0291(10) Uani 1 1 d . . .
H14A H 0.6004 0.0271 0.9226 0.035 Uiso 1 1 calc R . .
H14B H 0.5277 0.1411 0.9364 0.035 Uiso 1 1 calc R . .
C15 C 0.6476(4) 0.0672(4) 0.7609(4) 0.0276(9) Uani 1 1 d . . .
H15A H 0.6028 -0.0125 0.7380 0.033 Uiso 1 1 calc R . .
H15B H 0.7400 0.0610 0.8118 0.033 Uiso 1 1 calc R . .
C16 C 0.6516(4) 0.1279(4) 0.6676(3) 0.0260(9) Uani 1 1 d . . .
H16A H 0.6967 0.0799 0.6306 0.031 Uiso 1 1 calc R . .
H16B H 0.5585 0.1345 0.6182 0.031 Uiso 1 1 calc R . .
C17 C 0.8630(4) 0.2395(4) 0.7437(3) 0.0252(9) Uani 1 1 d . . .
H17A H 0.8992 0.2144 0.6900 0.030 Uiso 1 1 calc R . .
H17B H 0.8861 0.1834 0.7986 0.030 Uiso 1 1 calc R . .
C18 C 0.9226(4) 0.3603(4) 0.7917(3) 0.0258(9) Uani 1 1 d . . .
H18A H 1.0218 0.3606 0.8211 0.031 Uiso 1 1 calc R . .
H18B H 0.8979 0.4153 0.7359 0.031 Uiso 1 1 calc R . .
O5 O 0.0943(3) 0.6206(3) 0.5430(2) 0.0320(7) Uani 1 1 d . . .
O6 O 0.1905(3) 0.8474(3) 0.5207(2) 0.0333(7) Uani 1 1 d . . .
O7 O 0.4224(3) 0.8154(3) 0.7059(2) 0.0301(7) Uani 1 1 d . . .
O8 O 0.3234(3) 0.5888(3) 0.7232(2) 0.0305(7) Uani 1 1 d . . .
C19 C 0.0093(4) 0.7066(4) 0.4848(3) 0.0269(9) Uani 1 1 d . . .
H19A H -0.0811 0.6930 0.4876 0.032 Uiso 1 1 calc R . .
H19B H -0.0006 0.6958 0.4103 0.032 Uiso 1 1 calc R . .
C20 C 0.0624(4) 0.8286(4) 0.5258(4) 0.0341(11) Uani 1 1 d . . .
H20A H 0.0012 0.8837 0.4831 0.041 Uiso 1 1 calc R . .
H20B H 0.0690 0.8419 0.5995 0.041 Uiso 1 1 calc R . .
C21 C 0.2767(5) 0.9383(4) 0.5957(3) 0.0285(10) Uani 1 1 d . . .
H21A H 0.2249 1.0068 0.5953 0.034 Uiso 1 1 calc R . .
H21B H 0.3516 0.9626 0.5737 0.034 Uiso 1 1 calc R . .
C22 C 0.3335(4) 0.9006(4) 0.7053(4) 0.0305(10) Uani 1 1 d . . .
H22A H 0.3817 0.9680 0.7556 0.037 Uiso 1 1 calc R . .
H22B H 0.2605 0.8678 0.7258 0.037 Uiso 1 1 calc R . .
C23 C 0.4671(4) 0.7566(4) 0.8035(3) 0.0277(9) Uani 1 1 d . . .
H23A H 0.4940 0.8158 0.8642 0.033 Uiso 1 1 calc R . .
H23B H 0.5469 0.7146 0.8085 0.033 Uiso 1 1 calc R . .
C24 C 0.3598(5) 0.6719(4) 0.8090(4) 0.0330(10) Uani 1 1 d . . .
H24A H 0.3935 0.6333 0.8755 0.040 Uiso 1 1 calc R . .
H24B H 0.2807 0.7134 0.8072 0.040 Uiso 1 1 calc R . .
C25 C 0.1920(4) 0.5271(4) 0.6969(4) 0.0302(10) Uani 1 1 d . . .
H25A H 0.1812 0.5064 0.7625 0.036 Uiso 1 1 calc R . .
H25B H 0.1868 0.4536 0.6541 0.036 Uiso 1 1 calc R . .
C26 C 0.0789(5) 0.5979(4) 0.6371(4) 0.0357(11) Uani 1 1 d . . .
H26A H -0.0088 0.5540 0.6224 0.043 Uiso 1 1 calc R . .
H26B H 0.0826 0.6720 0.6786 0.043 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'
Cs Cs -0.3680 2.1192 '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
O8 Cs1 O5 54.29(8) . . ?
O8 Cs1 N2 132.98(9) . . ?
O5 Cs1 N2 168.80(9) . . ?
O8 Cs1 N2 76.02(8) . 2_666 ?
O5 Cs1 N2 90.41(9) . 2_666 ?
N2 Cs1 N2 99.63(9) . 2_666 ?
O8 Cs1 O7 52.87(8) . . ?
O5 Cs1 O7 75.93(8) . . ?
N2 Cs1 O7 101.82(8) . . ?
N2 Cs1 O7 125.34(8) 2_666 . ?
O8 Cs1 O4 144.01(7) . 2_666 ?
O5 Cs1 O4 95.69(8) . 2_666 ?
N2 Cs1 O4 74.16(8) . 2_666 ?
N2 Cs1 O4 128.94(8) 2_666 2_666 ?
O7 Cs1 O4 105.22(7) . 2_666 ?
O8 Cs1 N1 112.50(8) . 2_666 ?
O5 Cs1 N1 96.31(8) . 2_666 ?
N2 Cs1 N1 88.13(9) . 2_666 ?
N2 Cs1 N1 41.20(9) 2_666 2_666 ?
O7 Cs1 N1 165.34(8) . 2_666 ?
O4 Cs1 N1 87.74(8) 2_666 2_666 ?
O8 Cs1 O6 79.48(7) . . ?
O5 Cs1 O6 51.67(8) . . ?
N2 Cs1 O6 118.24(9) . . ?
N2 Cs1 O6 142.07(8) 2_666 . ?
O7 Cs1 O6 51.93(8) . . ?
O4 Cs1 O6 65.25(7) 2_666 . ?
N1 Cs1 O6 131.99(8) 2_666 . ?
O8 Cs1 N1 92.05(8) . . ?
O5 Cs1 N1 145.63(8) . . ?
N2 Cs1 N1 41.06(9) . . ?
N2 Cs1 N1 87.19(8) 2_666 . ?
O7 Cs1 N1 77.68(8) . . ?
O4 Cs1 N1 112.28(8) 2_666 . ?
N1 Cs1 N1 104.06(7) 2_666 . ?
O6 Cs1 N1 122.40(8) . . ?
O2 Cs2 N4 70.56(9) . 2_667 ?
O2 Cs2 O8 140.61(8) . . ?
N4 Cs2 O8 79.48(9) 2_667 . ?
O2 Cs2 O1 54.27(7) . . ?
N4 Cs2 O1 79.81(9) 2_667 . ?
O8 Cs2 O1 144.01(8) . . ?
O2 Cs2 N3 84.13(8) . . ?
N4 Cs2 N3 93.04(10) 2_667 . ?
O8 Cs2 N3 72.30(8) . . ?
O1 Cs2 N3 137.94(8) . . ?
O2 Cs2 O4 76.99(7) . . ?
N4 Cs2 O4 131.93(9) 2_667 . ?
O8 Cs2 O4 142.00(7) . . ?
O1 Cs2 O4 52.33(7) . . ?
N3 Cs2 O4 118.15(8) . . ?
O2 Cs2 O3 53.45(7) . . ?
N4 Cs2 O3 121.96(9) 2_667 . ?
O8 Cs2 O3 136.38(8) . . ?
O1 Cs2 O3 79.59(7) . . ?
N3 Cs2 O3 69.29(8) . . ?
O4 Cs2 O3 52.12(7) . . ?
O2 Cs2 N2 137.85(8) . 2_666 ?
N4 Cs2 N2 150.97(9) 2_667 2_666 ?
O8 Cs2 N2 72.57(8) . 2_666 ?
O1 Cs2 N2 119.36(8) . 2_666 ?
N3 Cs2 N2 85.94(9) . 2_666 ?
O4 Cs2 N2 72.04(8) . 2_666 ?
O3 Cs2 N2 84.77(8) . 2_666 ?
C1 N1 C5 117.8(4) . . ?
C1 N1 Cs1 140.0(3) . 2_666 ?
C5 N1 Cs1 95.0(2) . 2_666 ?
C1 N1 Cs1 127.8(3) . . ?
C5 N1 Cs1 82.3(2) . . ?
Cs1 N1 Cs1 75.94(7) 2_666 . ?
C5 N2 Cs1 90.5(2) . . ?
C5 N2 Cs1 101.8(3) . 2_666 ?
Cs1 N2 Cs1 80.37(9) . 2_666 ?
C5 N2 Cs2 172.8(3) . 2_666 ?
Cs1 N2 Cs2 88.45(9) . 2_666 ?
Cs1 N2 Cs2 85.05(9) 2_666 2_666 ?
N1 C1 C2 126.2(4) . . ?
C1 C2 C3 117.4(4) . . ?
C4 C3 C2 119.0(4) . . ?
C3 C4 C5 121.1(4) . . ?
N2 C5 N1 117.2(4) . . ?
N2 C5 C4 124.3(4) . . ?
N1 C5 C4 118.5(4) . . ?
C6 N3 C10 118.2(4) . . ?
C6 N3 Cs2 112.7(3) . . ?
C10 N3 Cs2 123.2(3) . . ?
C10 N4 Cs2 162.3(3) . 2_667 ?
N3 C6 C7 125.6(4) . . ?
C6 C7 C8 117.3(4) . . ?
C9 C8 C7 119.7(4) . . ?
C8 C9 C10 120.8(4) . . ?
N4 C10 N3 121.7(4) . . ?
N4 C10 C9 120.0(4) . . ?
N3 C10 C9 118.2(4) . . ?
C11 O1 C18 113.5(3) . . ?
C11 O1 Cs2 118.1(2) . . ?
C18 O1 Cs2 113.2(2) . . ?
C13 O2 C12 114.9(3) . . ?
C13 O2 Cs2 126.0(2) . . ?
C12 O2 Cs2 108.1(2) . . ?
C15 O3 C14 114.0(3) . . ?
C15 O3 Cs2 122.9(2) . . ?
C14 O3 Cs2 107.4(2) . . ?
C17 O4 C16 112.6(3) . . ?
C17 O4 Cs2 122.3(2) . . ?
C16 O4 Cs2 110.4(2) . . ?
C17 O4 Cs1 112.1(2) . 2_666 ?
C16 O4 Cs1 107.0(2) . 2_666 ?
Cs2 O4 Cs1 89.48(6) . 2_666 ?
O1 C11 C12 107.6(3) . . ?
O2 C12 C11 112.6(3) . . ?
O2 C13 C14 107.8(4) . . ?
O3 C14 C13 112.1(3) . . ?
O3 C15 C16 107.6(3) . . ?
O4 C16 C15 112.8(3) . . ?
O4 C17 C18 108.0(3) . . ?
O1 C18 C17 112.9(3) . . ?
C26 O5 C19 114.4(3) . . ?
C26 O5 Cs1 122.8(3) . . ?
C19 O5 Cs1 113.9(2) . . ?
C20 O6 C21 114.1(3) . . ?
C20 O6 Cs1 119.4(3) . . ?
C21 O6 Cs1 109.1(2) . . ?
C22 O7 C23 112.7(3) . . ?
C22 O7 Cs1 123.9(3) . . ?
C23 O7 Cs1 107.0(2) . . ?
C24 O8 C25 114.3(3) . . ?
C24 O8 Cs1 126.2(3) . . ?
C25 O8 Cs1 107.8(2) . . ?
C24 O8 Cs2 103.8(2) . . ?
C25 O8 Cs2 111.4(2) . . ?
Cs1 O8 Cs2 89.94(8) . . ?
O5 C19 C20 113.3(3) . . ?
O6 C20 C19 108.5(4) . . ?
O6 C21 C22 112.8(3) . . ?
O7 C22 C21 107.3(4) . . ?
O7 C23 C24 112.1(4) . . ?
O8 C24 C23 108.4(4) . . ?
O8 C25 C26 112.7(3) . . ?
O5 C26 C25 107.2(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
Cs1 O8 3.098(3) . ?
Cs1 O5 3.110(3) . ?
Cs1 N2 3.194(4) . ?
Cs1 N2 3.216(4) 2_666 ?
Cs1 O7 3.228(3) . ?
Cs1 O4 3.258(3) 2_666 ?
Cs1 N1 3.345(3) 2_666 ?
Cs1 O6 3.362(3) . ?
Cs1 N1 3.379(3) . ?
Cs2 O2 3.064(3) . ?
Cs2 N4 3.191(4) 2_667 ?
Cs2 O8 3.200(3) . ?
Cs2 O1 3.227(3) . ?
Cs2 N3 3.246(4) . ?
Cs2 O4 3.247(3) . ?
Cs2 O3 3.256(3) . ?
Cs2 N2 3.367(4) 2_666 ?
N1 C1 1.342(5) . ?
N1 C5 1.374(5) . ?
N1 Cs1 3.345(3) 2_666 ?
N2 C5 1.334(5) . ?
N2 Cs1 3.216(4) 2_666 ?
N2 Cs2 3.367(4) 2_666 ?
C1 C2 1.367(6) . ?
C2 C3 1.392(6) . ?
C3 C4 1.372(6) . ?
C4 C5 1.439(6) . ?
N3 C6 1.343(6) . ?
N3 C10 1.378(5) . ?
N4 C10 1.324(5) . ?
N4 Cs2 3.191(4) 2_667 ?
C6 C7 1.373(7) . ?
C7 C8 1.390(7) . ?
C8 C9 1.369(7) . ?
C9 C10 1.441(6) . ?
O1 C11 1.427(5) . ?
O1 C18 1.430(5) . ?
O2 C13 1.419(5) . ?
O2 C12 1.437(5) . ?
O3 C15 1.425(5) . ?
O3 C14 1.442(5) . ?
O4 C17 1.423(5) . ?
O4 C16 1.440(5) . ?
O4 Cs1 3.258(3) 2_666 ?
C11 C12 1.506(6) . ?
C13 C14 1.508(6) . ?
C15 C16 1.506(6) . ?
C17 C18 1.505(6) . ?
O5 C26 1.399(5) . ?
O5 C19 1.449(5) . ?
O6 C20 1.410(5) . ?
O6 C21 1.443(5) . ?
O7 C22 1.405(5) . ?
O7 C23 1.466(5) . ?
O8 C24 1.396(5) . ?
O8 C25 1.454(5) . ?
C19 C20 1.485(6) . ?
C21 C22 1.499(6) . ?
C23 C24 1.495(6) . ?
C25 C26 1.504(6) . ?
