#------------------------------------------------------------------------------
#$Date: 2016-03-25 10:18:57 +0200 (Fri, 25 Mar 2016) $
#$Revision: 179747 $
#$URL: svn://www.crystallography.net/cod/cif/7/00/43/7004376.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_7004376
loop_
_publ_author_name
'Wei, Xuehong'
'Cheng, Yanxiang'
'Hitchcock, Peter B.'
'Lappert, Michael F.'
_publ_section_title
;
 Syntheses, structures and reactions of a series of
 β-diketiminatoyttrium compounds
;
_journal_issue                   38
_journal_name_full               'Dalton Transactions'
_journal_page_first              5235
_journal_page_last               5246
_journal_paper_doi               10.1039/b806451b
_journal_year                    2008
_chemical_compound_source        'synthesis as described'
_chemical_formula_moiety         'C66 H106 Cl6 Li2 N4 O4 Y2, C4 H10 O'
_chemical_formula_sum            'C70 H116 Cl6 Li2 N4 O5 Y2'
_chemical_formula_weight         1498.07
_space_group_IT_number           15
_symmetry_cell_setting           monoclinic
_symmetry_Int_Tables_number      15
_symmetry_space_group_name_Hall  '-C 2yc'
_symmetry_space_group_name_H-M   'C 1 2/c 1'
_atom_sites_solution_hydrogens   geom
_atom_sites_solution_primary     direct
_atom_sites_solution_secondary   difmap
_audit_conform_dict_location     ftp://ftp.iucr.org/pub/cif_core.dic
_audit_conform_dict_name         cif_core.dic
_audit_conform_dict_version      2.2
_audit_creation_date             2003-04-01T10:48:55-00:00
_audit_creation_method           'WinGX routine CIF_UPDATE'
_cell_angle_alpha                90
_cell_angle_beta                 122.693(1)
_cell_angle_gamma                90
_cell_formula_units_Z            4
_cell_length_a                   30.2936(3)
_cell_length_b                   13.7202(2)
_cell_length_c                   22.7889(2)
_cell_measurement_reflns_used    25463
_cell_measurement_temperature    173(2)
_cell_measurement_theta_max      25.028
_cell_measurement_theta_min      3.705
_cell_measurement_wavelength     0.71073
_cell_volume                     7971.29(18)
_computing_cell_refinement       'HKL Scalepack (Otwinowski & Minor 1997)'
_computing_data_collection       'Collect (Nonius BV, 1997-2000)'
_computing_data_reduction
'HKL Denzo and Scalepack (Otwinowski & Minor 1997)'
_computing_molecular_graphics    'Ortep-3 for Windows (Farrugia, 1997)'
_computing_publication_material  'WinGX publication routines (Farrugia, 1999)'
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 1997)'
_computing_structure_solution    'SHELXS-97 (Sheldrick, 1997)'
_diffrn_ambient_temperature      173(2)
_diffrn_measured_fraction_theta_full 0.992
_diffrn_measured_fraction_theta_max 0.992
_diffrn_measurement_device       '95mm CCD camera on κ-goniostat'
_diffrn_measurement_device_type  KappaCCD
_diffrn_measurement_method       CCD
_diffrn_radiation_monochromator  graphite
_diffrn_radiation_probe          x-ray
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_reflns_av_R_equivalents  0.0473
_diffrn_reflns_av_unetI/netI     0.0308
_diffrn_reflns_limit_h_max       36
_diffrn_reflns_limit_h_min       -35
_diffrn_reflns_limit_k_max       14
_diffrn_reflns_limit_k_min       -16
_diffrn_reflns_limit_l_max       27
_diffrn_reflns_limit_l_min       -26
_diffrn_reflns_number            41119
_diffrn_reflns_theta_full        25.03
_diffrn_reflns_theta_max         25.03
_diffrn_reflns_theta_min         3.79
_exptl_absorpt_coefficient_mu    1.696
_exptl_absorpt_correction_T_max  0.5621
_exptl_absorpt_correction_T_min  0.4907
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details
;
[c.f. r.h. blessing, acta cryst. (1995), a51, 33-38]
;
_exptl_crystal_colour            colourless
_exptl_crystal_density_diffrn    1.248
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       prism
_exptl_crystal_F_000             3160
_exptl_crystal_size_max          0.4
_exptl_crystal_size_mid          0.35
_exptl_crystal_size_min          0.35
_refine_diff_density_max         0.445
_refine_diff_density_min         -0.368
_refine_diff_density_rms         0.054
_refine_ls_extinction_coef       0.00042(6)
_refine_ls_extinction_expression Fc^*^=kFc[1+0.001xFc²λ³/sin(2θ)]^-1/4^
_refine_ls_extinction_method     SHELXL
_refine_ls_goodness_of_fit_ref   1.068
_refine_ls_hydrogen_treatment    riding
_refine_ls_matrix_type           full
_refine_ls_number_parameters     405
_refine_ls_number_reflns         6999
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      1.068
_refine_ls_R_factor_all          0.0446
_refine_ls_R_factor_gt           0.0336
_refine_ls_shift/su_max          0.004
_refine_ls_shift/su_mean         0
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'calc w=1/[σ²(Fo²)+(0.0271P)²+15.1179P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.071
_refine_ls_wR_factor_ref         0.0753
_reflns_number_gt                6035
_reflns_number_total             6999
_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            b806451b.txt
_cod_data_source_block           (3b)-mar2603
_cod_original_cell_volume        7971.28(16)
_cod_original_sg_symbol_H-M      C2/c
_cod_database_code               7004376
loop_
_symmetry_equiv_pos_as_xyz
'x, y, z'
'-x, y, -z+1/2'
'x+1/2, y+1/2, z'
'-x+1/2, y+1/2, -z+1/2'
'-x, -y, -z'
'x, -y, z-1/2'
'-x+1/2, -y+1/2, -z'
'x+1/2, -y+1/2, z-1/2'
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
Y Y 0.189481(8) 0.771074(17) 0.020514(11) 0.01867(8) Uani 1 1 d . . .
Cl1 Cl 0.28895(2) 0.82912(4) 0.06164(3) 0.02576(15) Uani 1 1 d . . .
Cl2 Cl 0.23301(2) 0.65886(4) 0.13162(3) 0.02770(15) Uani 1 1 d . . .
Cl3 Cl 0.19918(2) 0.90586(4) 0.10800(3) 0.02615(14) Uani 1 1 d . . .
O1 O 0.24316(8) 0.82416(14) 0.27326(10) 0.0377(5) Uani 1 1 d . . .
O2 O 0.33717(7) 0.81966(15) 0.24637(10) 0.0395(5) Uani 1 1 d . . .
O3 O 0 1.2660(5) -0.25 0.1263(19) Uani 1 2 d S . .
N1 N 0.13096(7) 0.87841(14) -0.06739(10) 0.0211(4) Uani 1 1 d . . .
N2 N 0.11135(7) 0.67655(14) -0.03584(10) 0.0215(4) Uani 1 1 d . . .
C1 C 0.09358(9) 0.85118(18) -0.13152(12) 0.0234(5) Uani 1 1 d . . .
C2 C 0.07061(9) 0.75846(18) -0.14794(12) 0.0264(6) Uani 1 1 d . . .
H2 H 0.0468 0.7469 -0.1964 0.032 Uiso 1 1 calc R . .
C3 C 0.07687(9) 0.68001(18) -0.10489(12) 0.0240(5) Uani 1 1 d . . .
C4 C 0.07305(10) 0.9231(2) -0.19094(13) 0.0334(6) Uani 1 1 d . . .
H4A H 0.0544 0.9758 -0.1842 0.05 Uiso 1 1 calc R . .
H4B H 0.049 0.8898 -0.2351 0.05 Uiso 1 1 calc R . .
H4C H 0.1025 0.9504 -0.1921 0.05 Uiso 1 1 calc R . .
C5 C 0.04013(11) 0.5947(2) -0.14188(14) 0.0365(7) Uani 1 1 d . . .
H5A H 0.0586 0.5438 -0.1506 0.055 Uiso 1 1 calc R . .
H5B H 0.0097 0.6168 -0.1863 0.055 Uiso 1 1 calc R . .
H5C H 0.0284 0.5683 -0.1126 0.055 Uiso 1 1 calc R . .
C6 C 0.14701(9) 0.97936(18) -0.05746(12) 0.0225(5) Uani 1 1 d . . .
C7 C 0.12204(10) 1.05483(18) -0.04437(13) 0.0270(6) Uani 1 1 d . . .
C8 C 0.14404(11) 1.1477(2) -0.03456(16) 0.0401(7) Uani 1 1 d . . .
H8 H 0.1278 1.2006 -0.0264 0.048 Uiso 1 1 calc R . .
C9 C 0.18831(12) 1.1665(2) -0.03608(17) 0.0450(8) Uani 1 1 d . . .
H9 H 0.2019 1.2308 -0.0287 0.054 Uiso 1 1 calc R . .
C10 C 0.21243(11) 1.0915(2) -0.04832(15) 0.0386(7) Uani 1 1 d . . .
H10 H 0.243 1.1032 -0.0492 0.046 Uiso 1 1 calc R . .
C11 C 0.19149(9) 0.9992(2) -0.05934(13) 0.0288(6) Uani 1 1 d . . .
H11 H 0.2078 0.9474 -0.0685 0.035 Uiso 1 1 calc R . .
C12 C 0.07298(10) 1.04849(19) -0.03940(14) 0.0313(6) Uani 1 1 d . . .
C13 C 0.02938(12) 1.1131(2) -0.09682(18) 0.0508(8) Uani 1 1 d . . .
H13A H 0.043 1.179 -0.0935 0.076 Uiso 1 1 calc R . .
H13B H -0.0003 1.1159 -0.0908 0.076 Uiso 1 1 calc R . .
H13C H 0.0177 1.0855 -0.1427 0.076 Uiso 1 1 calc R . .
C14 C 0.08793(12) 1.0877(2) 0.03236(17) 0.0455(8) Uani 1 1 d . . .
H14A H 0.1026 1.1534 0.039 0.068 Uiso 1 1 calc R . .
H14B H 0.1141 1.0446 0.069 0.068 Uiso 1 1 calc R . .
H14C H 0.0566 1.0901 0.0348 0.068 Uiso 1 1 calc R . .
C15 C 0.05043(11) 0.9467(2) -0.04623(18) 0.0429(7) Uani 1 1 d . . .
H15A H 0.0403 0.9189 -0.0915 0.064 Uiso 1 1 calc R . .
H15B H 0.0196 0.9508 -0.0429 0.064 Uiso 1 1 calc R . .
H15C H 0.077 0.9051 -0.0087 0.064 Uiso 1 1 calc R . .
C16 C 0.11359(9) 0.58580(18) -0.00155(12) 0.0234(5) Uani 1 1 d . . .
C17 C 0.09215(9) 0.57274(18) 0.03958(12) 0.0248(5) Uani 1 1 d . . .
C18 C 0.09959(10) 0.4815(2) 0.07063(14) 0.0341(6) Uani 1 1 d . . .
H18 H 0.0861 0.4708 0.0992 0.041 Uiso 1 1 calc R . .
C19 C 0.12563(11) 0.4059(2) 0.06188(16) 0.0403(7) Uani 1 1 d . . .
H19 H 0.1295 0.3449 0.0839 0.048 Uiso 1 1 calc R . .
C20 C 0.14589(11) 0.41942(19) 0.02104(16) 0.0373(7) Uani 1 1 d . . .
H20 H 0.1636 0.3678 0.0142 0.045 Uiso 1 1 calc R . .
C21 C 0.14012(10) 0.50922(19) -0.00987(14) 0.0303(6) Uani 1 1 d . . .
H21 H 0.1546 0.5191 -0.0375 0.036 Uiso 1 1 calc R . .
C22 C 0.06257(9) 0.65311(19) 0.05275(13) 0.0279(6) Uani 1 1 d . . .
C23 C 0.10057(11) 0.7343(2) 0.09665(16) 0.0398(7) Uani 1 1 d . . .
H23A H 0.1295 0.7072 0.1405 0.06 Uiso 1 1 calc R . .
H23B H 0.0821 0.7836 0.1066 0.06 Uiso 1 1 calc R . .
H23C H 0.1146 0.7644 0.071 0.06 Uiso 1 1 calc R . .
C24 C 0.01702(10) 0.6952(2) -0.01604(14) 0.0331(6) Uani 1 1 d . . .
H24A H -0.0073 0.6428 -0.044 0.05 Uiso 1 1 calc R . .
H24B H 0.0308 0.7253 -0.042 0.05 Uiso 1 1 calc R . .
H24C H -0.0015 0.7445 -0.006 0.05 Uiso 1 1 calc R . .
C25 C 0.03811(12) 0.6127(2) 0.09198(16) 0.0441(7) Uani 1 1 d . . .
H25A H 0.0134 0.5604 0.0645 0.066 Uiso 1 1 calc R . .
H25B H 0.0195 0.665 0.0992 0.066 Uiso 1 1 calc R . .
H25C H 0.0659 0.5868 0.1373 0.066 Uiso 1 1 calc R . .
C26 C 0.24250(15) 0.7548(2) 0.3190(2) 0.0572(9) Uani 1 1 d . . .
H26A H 0.2058 0.7366 0.3017 0.069 Uiso 1 1 calc R . .
H26B H 0.2581 0.7839 0.3659 0.069 Uiso 1 1 calc R . .
C27 C 0.27181(16) 0.6685(3) 0.3235(2) 0.0661(10) Uani 1 1 d . . .
H27A H 0.2712 0.6215 0.3555 0.099 Uiso 1 1 calc R . .
H27B H 0.3082 0.6866 0.341 0.099 Uiso 1 1 calc R . .
H27C H 0.2559 0.6391 0.2772 0.099 Uiso 1 1 calc R . .
C28 C 0.22897(13) 0.9203(2) 0.28270(17) 0.0478(8) Uani 1 1 d . . .
H28A H 0.2397 0.9682 0.2602 0.057 Uiso 1 1 calc R . .
H28B H 0.2486 0.9353 0.3332 0.057 Uiso 1 1 calc R . .
C29 C 0.17197(15) 0.9318(3) 0.2533(2) 0.0641(10) Uani 1 1 d . . .
H29A H 0.1649 0.9984 0.2617 0.096 Uiso 1 1 calc R . .
H29B H 0.1611 0.8855 0.2759 0.096 Uiso 1 1 calc R . .
H29C H 0.1523 0.9191 0.2031 0.096 Uiso 1 1 calc R . .
C30 C 0.36277(11) 0.7280(2) 0.25256(16) 0.0481(8) Uani 1 1 d . . .
H30A H 0.3701 0.7243 0.2152 0.058 Uiso 1 1 calc R . .
H30B H 0.3384 0.6744 0.2449 0.058 Uiso 1 1 calc R . .
C31 C 0.41284(13) 0.7127(3) 0.32109(16) 0.0567(9) Uani 1 1 d . . .
H31A H 0.4277 0.6493 0.3211 0.085 Uiso 1 1 calc R . .
H31B H 0.406 0.7143 0.3584 0.085 Uiso 1 1 calc R . .
H31C H 0.4377 0.7645 0.3287 0.085 Uiso 1 1 calc R . .
C32 C 0.36609(13) 0.8999(3) 0.24331(17) 0.0548(9) Uani 1 1 d . . .
H32A H 0.3727 0.889 0.2057 0.066 Uiso 1 1 calc R . .
H32B H 0.4004 0.9057 0.288 0.066 Uiso 1 1 calc R . .
C33 C 0.33532(15) 0.9903(3) 0.2295(2) 0.0813(13) Uani 1 1 d . . .
H33A H 0.3549 1.0458 0.2277 0.122 Uiso 1 1 calc R . .
H33B H 0.329 1.0006 0.267 0.122 Uiso 1 1 calc R . .
H33C H 0.3017 0.9844 0.1849 0.122 Uiso 1 1 calc R . .
C34 C 0.0454(3) 1.3167(5) -0.2271(4) 0.144(3) Uani 1 1 d . . .
H34A H 0.0562 1.3492 -0.1825 0.173 Uiso 1 1 calc R . .
H34B H 0.0388 1.3679 -0.2615 0.173 Uiso 1 1 calc R . .
C35 C 0.0867(3) 1.2564(7) -0.2171(4) 0.188(4) Uani 1 1 d . . .
H35A H 0.1182 1.296 -0.2009 0.283 Uiso 1 1 calc R . .
H35B H 0.0766 1.2249 -0.2613 0.283 Uiso 1 1 calc R . .
H35C H 0.0941 1.2065 -0.1822 0.283 Uiso 1 1 calc R . .
Li1 Li 0.26040(17) 0.8060(3) 0.2033(2) 0.0325(10) 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 0 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Cl Cl 0.1484 0.1585 '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'
Y Y -2.7962 3.5667 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
O O 0.0106 0.006 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Li Li -0.0003 0.0001 '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
N1 Y N2 78.94(7) . . ?
N1 Y Cl3 85.92(5) . . ?
N2 Y Cl3 117.81(5) . . ?
N1 Y Cl2 161.05(5) . . ?
N2 Y Cl2 92.06(5) . . ?
Cl3 Y Cl2 83.61(2) . . ?
N1 Y Cl1 94.75(5) . 7_565 ?
N2 Y Cl1 83.67(5) . 7_565 ?
Cl3 Y Cl1 158.09(2) . 7_565 ?
Cl2 Y Cl1 100.85(2) . 7_565 ?
N1 Y Cl1 107.07(5) . . ?
N2 Y Cl1 158.67(5) . . ?
Cl3 Y Cl1 83.341(19) . . ?
Cl2 Y Cl1 87.37(2) . . ?
Cl1 Y Cl1 75.52(2) 7_565 . ?
Y Cl1 Y 104.48(2) 7_565 . ?
Li1 Cl2 Y 88.44(10) . . ?
Li1 Cl3 Y 90.01(11) . . ?
C26 O1 C28 112.4(2) . . ?
C26 O1 Li1 129.3(2) . . ?
C28 O1 Li1 118.3(2) . . ?
C32 O2 C30 111.3(2) . . ?
C32 O2 Li1 129.3(2) . . ?
C30 O2 Li1 113.0(2) . . ?
C34 O3 C34 118.9(8) . 2_554 ?
C1 N1 C6 117.14(19) . . ?
C1 N1 Y 124.39(16) . . ?
C6 N1 Y 115.69(14) . . ?
C3 N2 C16 116.28(19) . . ?
C3 N2 Y 122.17(15) . . ?
C16 N2 Y 115.70(14) . . ?
N1 C1 C2 123.6(2) . . ?
N1 C1 C4 119.7(2) . . ?
C2 C1 C4 116.7(2) . . ?
C3 C2 C1 130.7(2) . . ?
N2 C3 C2 125.1(2) . . ?
N2 C3 C5 119.8(2) . . ?
C2 C3 C5 115.0(2) . . ?
C11 C6 C7 120.1(2) . . ?
C11 C6 N1 115.5(2) . . ?
C7 C6 N1 124.4(2) . . ?
C8 C7 C6 116.1(2) . . ?
C8 C7 C12 115.6(2) . . ?
C6 C7 C12 128.3(2) . . ?
C9 C8 C7 123.3(3) . . ?
C10 C9 C8 119.7(3) . . ?
C9 C10 C11 118.8(2) . . ?
C10 C11 C6 122.0(2) . . ?
C15 C12 C14 106.7(2) . . ?
C15 C12 C13 108.0(2) . . ?
C14 C12 C13 109.1(2) . . ?
C15 C12 C7 115.9(2) . . ?
C14 C12 C7 108.3(2) . . ?
C13 C12 C7 108.7(2) . . ?
C21 C16 C17 120.0(2) . . ?
C21 C16 N2 115.8(2) . . ?
C17 C16 N2 124.2(2) . . ?
C18 C17 C16 116.4(2) . . ?
C18 C17 C22 119.5(2) . . ?
C16 C17 C22 124.1(2) . . ?
C19 C18 C17 123.3(2) . . ?
C20 C19 C18 119.6(3) . . ?
C19 C20 C21 119.0(3) . . ?
C20 C21 C16 121.6(2) . . ?
C23 C22 C24 109.8(2) . . ?
C23 C22 C25 108.2(2) . . ?
C24 C22 C25 106.2(2) . . ?
C23 C22 C17 109.7(2) . . ?
C24 C22 C17 111.4(2) . . ?
C25 C22 C17 111.5(2) . . ?
O1 C26 C27 110.4(3) . . ?
O1 C28 C29 113.5(3) . . ?
O2 C30 C31 114.5(3) . . ?
O2 C32 C33 108.8(3) . . ?
O3 C34 C35 112.6(7) . . ?
O1 Li1 O2 110.2(2) . . ?
O1 Li1 Cl3 104.62(19) . . ?
O2 Li1 Cl3 121.5(2) . . ?
O1 Li1 Cl2 120.7(2) . . ?
O2 Li1 Cl2 107.01(19) . . ?
Cl3 Li1 Cl2 92.83(15) . . ?
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
Y N1 2.3427(19) . ?
Y N2 2.3768(19) . ?
Y Cl3 2.6169(6) . ?
Y Cl2 2.6294(6) . ?
Y Cl1 2.6727(6) 7_565 ?
Y Cl1 2.7462(6) . ?
Cl1 Y 2.6727(6) 7_565 ?
Cl2 Li1 2.443(5) . ?
Cl3 Li1 2.384(4) . ?
O1 C26 1.420(3) . ?
O1 C28 1.439(3) . ?
O1 Li1 1.943(5) . ?
O2 C32 1.431(4) . ?
O2 C30 1.443(4) . ?
O2 Li1 1.985(5) . ?
O3 C34 1.368(7) . ?
O3 C34 1.368(7) 2_554 ?
N1 C1 1.330(3) . ?
N1 C6 1.445(3) . ?
N2 C3 1.339(3) . ?
N2 C16 1.452(3) . ?
C1 C2 1.400(3) . ?
C1 C4 1.512(3) . ?
C2 C3 1.399(3) . ?
C3 C5 1.519(3) . ?
C6 C11 1.398(3) . ?
C6 C7 1.406(3) . ?
C7 C8 1.399(4) . ?
C7 C12 1.553(3) . ?
C8 C9 1.384(4) . ?
C9 C10 1.374(4) . ?
C10 C11 1.379(4) . ?
C12 C15 1.525(4) . ?
C12 C14 1.539(4) . ?
C12 C13 1.541(4) . ?
C16 C21 1.397(3) . ?
C16 C17 1.411(3) . ?
C17 C18 1.395(4) . ?
C17 C22 1.549(3) . ?
C18 C19 1.382(4) . ?
C19 C20 1.376(4) . ?
C20 C21 1.383(4) . ?
C22 C23 1.524(4) . ?
C22 C24 1.536(4) . ?
C22 C25 1.540(4) . ?
C26 C27 1.449(5) . ?
C28 C29 1.485(5) . ?
C30 C31 1.492(4) . ?
C32 C33 1.480(5) . ?
C34 C35 1.412(9) . ?
