#------------------------------------------------------------------------------
#$Date: 2016-03-26 14:14:05 +0200 (Sat, 26 Mar 2016) $
#$Revision: 180253 $
#$URL: svn://www.crystallography.net/cod/cif/7/11/39/7113920.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_7113920
loop_
_publ_author_name
'Li Jia'
'Qi Chen'
'Yin-Shan Meng'
'Hao-Ling Sun'
'Song Gao'
_publ_section_title
;
 Elucidation of slow magnetic relaxation in a ferromagnetic 1D dysprosium
 chain through magnetic dilution
;
_journal_name_full               Chem.Commun.
_journal_page_first              6052
_journal_paper_doi               10.1039/C4CC01368A
_journal_volume                  50
_journal_year                    2014
_chemical_formula_sum            'C33 H31 Dy0.03 N6 O11 Y0.97'
_chemical_formula_weight         778.76
_chemical_name_systematic
; 
 ? 
;
_space_group_IT_number           14
_symmetry_cell_setting           monoclinic
_symmetry_space_group_name_Hall  '-P 2ybc'
_symmetry_space_group_name_H-M   'P 1 21/c 1'
_atom_sites_solution_hydrogens   geom
_atom_sites_solution_primary     direct
_atom_sites_solution_secondary   difmap
_audit_creation_method           SHELXL-97
_cell_angle_alpha                90.00
_cell_angle_beta                 108.449(2)
_cell_angle_gamma                90.00
_cell_formula_units_Z            4
_cell_length_a                   10.0820(11)
_cell_length_b                   23.728(3)
_cell_length_c                   14.7194(16)
_cell_measurement_reflns_used    4949
_cell_measurement_temperature    296(2)
_cell_measurement_theta_max      27.35
_cell_measurement_theta_min      2.30
_cell_volume                     3340.3(7)
_computing_cell_refinement       'Bruker SMART'
_computing_data_collection       'Bruker SMART'
_computing_data_reduction        'Bruker SAINT'
_computing_molecular_graphics    'Bruker SHELXTL'
_computing_publication_material  'Bruker SHELXTL'
_computing_structure_refinement  'Bruker SHELXTL'
_computing_structure_solution    'Bruker SHELXTL'
_diffrn_ambient_temperature      296(2)
_diffrn_measured_fraction_theta_full 0.989
_diffrn_measured_fraction_theta_max 0.989
_diffrn_measurement_device_type  'CCD area detector'
_diffrn_measurement_method       'phi and omega scans'
_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  0.0431
_diffrn_reflns_av_sigmaI/netI    0.0590
_diffrn_reflns_limit_h_max       11
_diffrn_reflns_limit_h_min       -13
_diffrn_reflns_limit_k_max       30
_diffrn_reflns_limit_k_min       -30
_diffrn_reflns_limit_l_max       19
_diffrn_reflns_limit_l_min       -13
_diffrn_reflns_number            20142
_diffrn_reflns_theta_full        27.64
_diffrn_reflns_theta_max         27.64
_diffrn_reflns_theta_min         1.69
_exptl_absorpt_coefficient_mu    1.832
_exptl_absorpt_correction_T_max  0.9713
_exptl_absorpt_correction_T_min  0.5747
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   SADABS
_exptl_crystal_colour            colourless
_exptl_crystal_density_diffrn    1.549
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       columnar
_exptl_crystal_F_000             1595
_exptl_crystal_size_max          0.34
_exptl_crystal_size_mid          0.14
_exptl_crystal_size_min          0.02
_refine_diff_density_max         0.857
_refine_diff_density_min         -0.517
_refine_diff_density_rms         0.075
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.020
_refine_ls_hydrogen_treatment    mixed
_refine_ls_matrix_type           full
_refine_ls_number_parameters     491
_refine_ls_number_reflns         7696
_refine_ls_number_restraints     15
_refine_ls_restrained_S_all      1.020
_refine_ls_R_factor_all          0.0769
_refine_ls_R_factor_gt           0.0446
_refine_ls_shift/su_max          0.005
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'calc w=1/[σ²(Fo²)+(0.0465P)²+2.8335P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1037
_refine_ls_wR_factor_ref         0.1149
_reflns_number_gt                5259
_reflns_number_total             7696
_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            c4cc01368a2.cif
_cod_data_source_block           110602a_0m
_cod_original_cell_volume        3340.3(6)
_cod_original_sg_symbol_H-M      P2(1)/c
_cod_database_code               7113920
loop_
_symmetry_equiv_pos_as_xyz
'x, y, z'
'-x, y+1/2, -z+1/2'
'-x, -y, -z'
'x, -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
Y1 Y 0.75064(3) 1.005913(11) 0.49893(2) 0.02242(9) Uani 0.98 1 d P
Dy1 Dy 0.75064(3) 1.005913(11) 0.49893(2) 0.02242(9) Uani 0.02 1 d P
C1 C 0.5671(3) 0.98172(12) 0.6622(2) 0.0243(6) Uani 1 1 d .
C2 C 0.6540(3) 0.96378(13) 0.7625(2) 0.0256(6) Uani 1 1 d .
C3 C 0.5912(3) 0.94859(16) 0.8294(2) 0.0397(8) Uani 1 1 d .
H3A H 0.4950 0.9514 0.8167 0.048 Uiso 1 1 calc R
C4 C 0.6779(4) 0.92895(18) 0.9162(3) 0.0488(10) Uani 1 1 d .
H4A H 0.6377 0.9164 0.9614 0.059 Uiso 1 1 calc R
C5 C 0.8687(3) 0.94490(14) 0.8708(2) 0.0333(7) Uani 1 1 d .
C6 C 1.0228(3) 0.94543(15) 0.8949(2) 0.0363(8) Uani 1 1 d .
C7 C 1.1049(4) 0.9150(2) 0.9711(3) 0.0707(15) Uani 1 1 d .
H7A H 1.0634 0.8937 1.0077 0.085 Uiso 1 1 calc R
C8 C 1.2481(4) 0.9156(3) 0.9939(4) 0.0849(18) Uani 1 1 d .
H8A H 1.3026 0.8945 1.0454 0.102 Uiso 1 1 calc R
C9 C 1.3109(4) 0.9471(2) 0.9414(3) 0.0665(14) Uani 1 1 d .
H9A H 1.4078 0.9478 0.9576 0.080 Uiso 1 1 calc R
C10 C 1.2310(4) 0.9772(2) 0.8652(3) 0.0643(13) Uani 1 1 d .
H10A H 1.2732 0.9981 0.8285 0.077 Uiso 1 1 calc R
C11 C 1.0870(4) 0.97681(18) 0.8422(3) 0.0473(10) Uani 1 1 d .
H11A H 1.0329 0.9980 0.7906 0.057 Uiso 1 1 calc R
C12 C 0.9479(3) 0.93765(12) 0.3762(2) 0.0242(6) Uani 1 1 d .
C13 C 0.8620(3) 0.90076(13) 0.2948(2) 0.0274(7) Uani 1 1 d .
C14 C 0.9183(4) 0.88130(16) 0.2260(3) 0.0426(9) Uani 1 1 d .
H14A H 1.0096 0.8897 0.2288 0.051 Uiso 1 1 calc R
C15 C 0.8322(4) 0.84891(19) 0.1533(3) 0.0562(12) Uani 1 1 d .
H15A H 0.8679 0.8345 0.1071 0.067 Uiso 1 1 calc R
C16 C 0.6545(3) 0.85837(14) 0.2151(2) 0.0305(7) Uani 1 1 d .
C17 C 0.5067(3) 0.84662(13) 0.2070(2) 0.0293(7) Uani 1 1 d .
C18 C 0.4393(4) 0.79938(15) 0.1571(3) 0.0395(8) Uani 1 1 d .
H18A H 0.4876 0.7749 0.1296 0.047 Uiso 1 1 calc R
C19 C 0.3018(4) 0.78887(16) 0.1485(3) 0.0470(10) Uani 1 1 d .
H19A H 0.2575 0.7573 0.1150 0.056 Uiso 1 1 calc R
C20 C 0.2294(4) 0.82475(17) 0.1889(3) 0.0486(10) Uani 1 1 d .
H20A H 0.1362 0.8175 0.1826 0.058 Uiso 1 1 calc R
C21 C 0.2951(4) 0.87151(19) 0.2388(3) 0.0536(11) Uani 1 1 d .
H21A H 0.2465 0.8958 0.2666 0.064 Uiso 1 1 calc R
C22 C 0.4328(3) 0.88221(16) 0.2476(3) 0.0398(8) Uani 1 1 d .
H22A H 0.4766 0.9138 0.2813 0.048 Uiso 1 1 calc R
N1 N 0.7929(3) 0.96192(11) 0.78206(18) 0.0291(6) Uani 1 1 d .
N2 N 0.8158(3) 0.92715(14) 0.9378(2) 0.0451(8) Uani 1 1 d .
N3 N 0.7300(2) 0.88942(10) 0.29014(18) 0.0258(5) Uani 1 1 d .
N4 N 0.7010(3) 0.83749(15) 0.1465(2) 0.0499(9) Uani 1 1 d .
O1 O 0.6295(2) 0.99230(9) 0.60344(16) 0.0329(5) Uani 1 1 d .
O2 O 0.4374(2) 0.98509(9) 0.64576(15) 0.0295(5) Uani 1 1 d .
O3 O 0.8897(2) 0.95635(10) 0.43288(16) 0.0349(5) Uani 1 1 d .
O4 O 1.0721(2) 0.94678(9) 0.38166(15) 0.0305(5) Uani 1 1 d .
O7 O 0.6384(2) 1.09213(9) 0.51296(17) 0.0327(5) Uani 1 1 d D
O8 O 0.8292(2) 1.07010(10) 0.40638(17) 0.0385(6) Uani 1 1 d D
O9 O 0.8896(2) 0.93758(10) 0.62202(16) 0.0323(5) Uani 1 1 d D
O10 O 0.6414(2) 0.91367(9) 0.45583(16) 0.0322(5) Uani 1 1 d D
O11 O 0.7445(3) 0.83504(10) 0.59819(19) 0.0456(6) Uani 1 1 d D
C23 C 0.5531(4) 0.15953(15) 0.2944(3) 0.0398(8) Uani 1 1 d .
C24 C 0.4636(4) 0.19090(14) 0.2056(3) 0.0359(8) Uani 1 1 d .
C25 C 0.5194(4) 0.20601(18) 0.1351(3) 0.0494(10) Uani 1 1 d .
H25A H 0.6094 0.1955 0.1376 0.059 Uiso 1 1 calc R
C26 C 0.4356(4) 0.23732(19) 0.0611(3) 0.0549(11) Uani 1 1 d .
H26A H 0.4724 0.2496 0.0140 0.066 Uiso 1 1 calc R
C27 C 0.2573(4) 0.23296(14) 0.1230(2) 0.0362(8) Uani 1 1 d .
C28 C 0.1113(4) 0.24659(15) 0.1160(2) 0.0374(8) Uani 1 1 d .
C29 C 0.0373(4) 0.28799(15) 0.0541(3) 0.0427(9) Uani 1 1 d .
H29A H 0.0790 0.3070 0.0150 0.051 Uiso 1 1 calc R
C30 C -0.0975(4) 0.30116(17) 0.0500(3) 0.0499(10) Uani 1 1 d .
H30A H -0.1462 0.3290 0.0082 0.060 Uiso 1 1 calc R
C31 C -0.1604(4) 0.27349(19) 0.1071(3) 0.0586(11) Uani 1 1 d .
H31A H -0.2512 0.2827 0.1043 0.070 Uiso 1 1 calc R
C32 C -0.0890(4) 0.2321(2) 0.1683(3) 0.0638(12) Uani 1 1 d .
H32A H -0.1316 0.2129 0.2066 0.077 Uiso 1 1 calc R
C33 C 0.0462(4) 0.21922(19) 0.1728(3) 0.0550(11) Uani 1 1 d .
H33A H 0.0944 0.1915 0.2150 0.066 Uiso 1 1 calc R
N5 N 0.3330(3) 0.20375(12) 0.2002(2) 0.0365(7) Uani 1 1 d .
N6 N 0.3049(3) 0.25114(14) 0.0527(2) 0.0458(8) Uani 1 1 d .
O5 O 0.5056(3) 0.15427(11) 0.36281(19) 0.0504(7) Uani 1 1 d .
O6 O 0.6686(3) 0.14311(12) 0.2920(2) 0.0572(8) Uani 1 1 d .
H10C H 0.667(4) 0.9042(16) 0.4029(19) 0.071(5) Uiso 1 1 d D
H9D H 0.856(4) 0.9002(10) 0.612(3) 0.071(5) Uiso 1 1 d D
H7C H 0.599(4) 1.1114(16) 0.4560(18) 0.071(5) Uiso 1 1 d D
H7D H 0.573(3) 1.0903(18) 0.546(2) 0.071(5) Uiso 1 1 d D
H11C H 0.678(4) 0.8323(16) 0.632(3) 0.071(5) Uiso 1 1 d D
H11D H 0.740(4) 0.7994(11) 0.567(3) 0.071(5) Uiso 1 1 d D
H8C H 0.771(3) 1.0956(15) 0.363(3) 0.071(5) Uiso 1 1 d D
H9C H 0.878(4) 0.9493(15) 0.680(2) 0.071(5) Uiso 1 1 d D
H10D H 0.667(4) 0.8851(13) 0.501(2) 0.071(5) Uiso 1 1 d D
H8D H 0.915(2) 1.0693(17) 0.394(3) 0.071(5) Uiso 1 1 d 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'
Y Y -2.7962 3.5667 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Dy Dy -0.1892 4.4098 '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
O1 Y1 O3 138.94(8) . .
O1 Y1 O8 147.18(9) . .
O3 Y1 O8 73.71(9) . .
O1 Y1 O4 90.34(8) . 3_776
O3 Y1 O4 98.09(8) . 3_776
O8 Y1 O4 78.92(8) . 3_776
O1 Y1 O2 99.96(8) . 3_676
O3 Y1 O2 95.08(8) . 3_676
O8 Y1 O2 74.95(8) . 3_676
O4 Y1 O2 146.01(7) 3_776 3_676
O1 Y1 O7 71.99(8) . .
O3 Y1 O7 149.07(8) . .
O8 Y1 O7 75.46(8) . .
O4 Y1 O7 78.16(8) 3_776 .
O2 Y1 O7 74.54(8) 3_676 .
O1 Y1 O10 75.71(8) . .
O3 Y1 O10 73.36(8) . .
O8 Y1 O10 129.76(9) . .
O4 Y1 O10 142.54(8) 3_776 .
O2 Y1 O10 71.38(8) 3_676 .
O7 Y1 O10 127.27(8) . .
O1 Y1 O9 73.46(8) . .
O3 Y1 O9 72.20(8) . .
O8 Y1 O9 128.83(8) . .
O4 Y1 O9 69.52(8) 3_776 .
O2 Y1 O9 144.47(8) 3_676 .
O7 Y1 O9 131.83(8) . .
O10 Y1 O9 73.19(7) . .
O1 C1 O2 125.3(3) . .
O1 C1 C2 117.9(3) . .
O2 C1 C2 116.7(3) . .
N1 C2 C3 121.7(3) . .
N1 C2 C1 117.4(3) . .
C3 C2 C1 120.9(3) . .
C2 C3 C4 116.7(3) . .
C2 C3 H3A 121.6 . .
C4 C3 H3A 121.6 . .
N2 C4 C3 122.9(3) . .
N2 C4 H4A 118.6 . .
C3 C4 H4A 118.6 . .
N2 C5 N1 125.2(3) . .
N2 C5 C6 117.5(3) . .
N1 C5 C6 117.4(3) . .
C7 C6 C11 118.4(3) . .
C7 C6 C5 120.6(3) . .
C11 C6 C5 121.0(3) . .
C6 C7 C8 120.7(4) . .
C6 C7 H7A 119.6 . .
C8 C7 H7A 119.6 . .
C9 C8 C7 120.4(4) . .
C9 C8 H8A 119.8 . .
C7 C8 H8A 119.8 . .
C10 C9 C8 119.7(4) . .
C10 C9 H9A 120.2 . .
C8 C9 H9A 120.2 . .
C9 C10 C11 120.1(4) . .
C9 C10 H10A 120.0 . .
C11 C10 H10A 120.0 . .
C6 C11 C10 120.7(4) . .
C6 C11 H11A 119.6 . .
C10 C11 H11A 119.6 . .
O3 C12 O4 124.9(3) . .
O3 C12 C13 117.6(3) . .
O4 C12 C13 117.5(3) . .
N3 C13 C14 121.7(3) . .
N3 C13 C12 117.8(3) . .
C14 C13 C12 120.4(3) . .
C15 C14 C13 116.7(3) . .
C15 C14 H14A 121.6 . .
C13 C14 H14A 121.6 . .
N4 C15 C14 122.8(3) . .
N4 C15 H15A 118.6 . .
C14 C15 H15A 118.6 . .
N4 C16 N3 125.5(3) . .
N4 C16 C17 116.9(3) . .
N3 C16 C17 117.5(3) . .
C22 C17 C18 118.7(3) . .
C22 C17 C16 121.1(3) . .
C18 C17 C16 120.2(3) . .
C19 C18 C17 120.3(3) . .
C19 C18 H18A 119.9 . .
C17 C18 H18A 119.9 . .
C20 C19 C18 120.4(3) . .
C20 C19 H19A 119.8 . .
C18 C19 H19A 119.8 . .
C19 C20 C21 119.9(3) . .
C19 C20 H20A 120.1 . .
C21 C20 H20A 120.1 . .
C22 C21 C20 119.9(4) . .
C22 C21 H21A 120.0 . .
C20 C21 H21A 120.0 . .
C21 C22 C17 120.9(3) . .
C21 C22 H22A 119.6 . .
C17 C22 H22A 119.6 . .
C2 N1 C5 116.8(3) . .
C4 N2 C5 116.6(3) . .
C13 N3 C16 116.6(3) . .
C15 N4 C16 116.7(3) . .
C1 O1 Y1 176.2(2) . .
C1 O2 Dy1 131.83(19) . 3_676
C1 O2 Y1 131.83(19) . 3_676
Dy1 O2 Y1 0.000(12) 3_676 3_676
C12 O3 Y1 163.4(2) . .
C12 O4 Dy1 129.7(2) . 3_776
C12 O4 Y1 129.7(2) . 3_776
Dy1 O4 Y1 0.000(17) 3_776 3_776
Y1 O7 H7C 115(3) . .
Y1 O7 H7D 116(3) . .
H7C O7 H7D 109(2) . .
Y1 O8 H8C 124(2) . .
Y1 O8 H8D 127(2) . .
H8C O8 H8D 107(2) . .
Y1 O9 H9D 114(3) . .
Y1 O9 H9C 105(3) . .
H9D O9 H9C 106(2) . .
Y1 O10 H10C 102(3) . .
Y1 O10 H10D 118(3) . .
H10C O10 H10D 110(2) . .
H11C O11 H11D 105(2) . .
O6 C23 O5 126.4(3) . .
O6 C23 C24 115.8(3) . .
O5 C23 C24 117.7(3) . .
N5 C24 C25 122.0(3) . .
N5 C24 C23 118.0(3) . .
C25 C24 C23 120.1(3) . .
C26 C25 C24 116.4(3) . .
C26 C25 H25A 121.8 . .
C24 C25 H25A 121.8 . .
N6 C26 C25 123.7(4) . .
N6 C26 H26A 118.2 . .
C25 C26 H26A 118.2 . .
N6 C27 N5 124.8(3) . .
N6 C27 C28 117.8(3) . .
N5 C27 C28 117.4(3) . .
C33 C28 C29 118.1(3) . .
C33 C28 C27 120.6(3) . .
C29 C28 C27 121.2(3) . .
C30 C29 C28 120.5(4) . .
C30 C29 H29A 119.7 . .
C28 C29 H29A 119.7 . .
C31 C30 C29 120.4(4) . .
C31 C30 H30A 119.8 . .
C29 C30 H30A 119.8 . .
C30 C31 C32 119.8(4) . .
C30 C31 H31A 120.1 . .
C32 C31 H31A 120.1 . .
C31 C32 C33 119.7(4) . .
C31 C32 H32A 120.1 . .
C33 C32 H32A 120.1 . .
C32 C33 C28 121.3(4) . .
C32 C33 H33A 119.3 . .
C28 C33 H33A 119.3 . .
C24 N5 C27 117.2(3) . .
C26 N6 C27 115.9(3) . .
loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_site_symmetry_2
Y1 O1 2.270(2) .
Y1 O3 2.271(2) .
Y1 O8 2.342(2) .
Y1 O4 2.357(2) 3_776
Y1 O2 2.371(2) 3_676
Y1 O7 2.378(2) .
Y1 O10 2.442(2) .
Y1 O9 2.504(2) .
C1 O1 1.245(4) .
C1 O2 1.255(3) .
C1 C2 1.520(4) .
C2 N1 1.338(4) .
C2 C3 1.376(4) .
C3 C4 1.381(5) .
C3 H3A 0.9300 .
C4 N2 1.325(4) .
C4 H4A 0.9300 .
C5 N2 1.330(4) .
C5 N1 1.349(4) .
C5 C6 1.480(4) .
C6 C7 1.369(5) .
C6 C11 1.376(5) .
C7 C8 1.375(5) .
C7 H7A 0.9300 .
C8 C9 1.365(6) .
C8 H8A 0.9300 .
C9 C10 1.358(6) .
C9 H9A 0.9300 .
C10 C11 1.383(5) .
C10 H10A 0.9300 .
C11 H11A 0.9300 .
C12 O3 1.243(4) .
C12 O4 1.248(3) .
C12 C13 1.515(4) .
C13 N3 1.338(4) .
C13 C14 1.387(5) .
C14 C15 1.378(5) .
C14 H14A 0.9300 .
C15 N4 1.323(4) .
C15 H15A 0.9300 .
C16 N4 1.336(4) .
C16 N3 1.345(4) .
C16 C17 1.483(4) .
C17 C22 1.381(5) .
C17 C18 1.393(4) .
C18 C19 1.375(5) .
C18 H18A 0.9300 .
C19 C20 1.374(5) .
C19 H19A 0.9300 .
C20 C21 1.379(5) .
C20 H20A 0.9300 .
C21 C22 1.376(5) .
C21 H21A 0.9300 .
C22 H22A 0.9300 .
O2 Dy1 2.371(2) 3_676
O2 Y1 2.371(2) 3_676
O4 Dy1 2.357(2) 3_776
O4 Y1 2.357(2) 3_776
O7 H7C 0.927(18) .
O7 H7D 0.940(18) .
O8 H8C 0.941(18) .
O8 H8D 0.944(18) .
O9 H9D 0.945(18) .
O9 H9C 0.942(18) .
O10 H10C 0.923(18) .
O10 H10D 0.926(18) .
O11 H11C 0.955(18) .
O11 H11D 0.959(18) .
C23 O6 1.239(4) .
C23 O5 1.251(4) .
C23 C24 1.527(5) .
C24 N5 1.329(4) .
C24 C25 1.376(5) .
C25 C26 1.367(5) .
C25 H25A 0.9300 .
C26 N6 1.325(5) .
C26 H26A 0.9300 .
C27 N6 1.343(4) .
C27 N5 1.343(4) .
C27 C28 1.478(5) .
C28 C33 1.378(5) .
C28 C29 1.386(5) .
C29 C30 1.378(5) .
C29 H29A 0.9300 .
C30 C31 1.369(6) .
C30 H30A 0.9300 .
C31 C32 1.372(6) .
C31 H31A 0.9300 .
C32 C33 1.378(5) .
C32 H32A 0.9300 .
C33 H33A 0.9300 .
