#------------------------------------------------------------------------------
#$Date: 2016-03-23 20:59:17 +0200 (Wed, 23 Mar 2016) $
#$Revision: 179434 $
#$URL: svn://www.crystallography.net/cod/cif/4/33/31/4333175.cif $
#------------------------------------------------------------------------------
#
# This file is available in the Crystallography Open Database (COD),
# http://www.crystallography.net/. The original data for this entry
# were provided the Crystal Eye server at
# http://wwmm.ch.cam.ac.uk/crystaleye/, created by Nick Day at the
# Peter Murray-Rust laboratory.
#
# The file may be used within the scientific community so long as
# proper attribution is given to the journal article from which the
# data were obtained.
#
data_4333175
loop_
_publ_author_name
'Van Deun, Rik'
'Fias, Pascal'
'Nockemann, Peter'
'Van Hecke, Kristof'
'Van Meervelt, Luc'
'Binnemans, Koen'
_publ_section_title
;
 Visible-Light-Sensitized Near-Infrared Luminescence from Rare-Earth
 Complexes of the 9-Hydroxyphenalen-1-one Ligand
;
_journal_issue                   26
_journal_name_full               'Inorganic Chemistry'
_journal_page_first              10416
_journal_page_last               10418
_journal_paper_doi               10.1021/ic0616277
_journal_volume                  45
_journal_year                    2006
_chemical_formula_moiety         'C52 H28 O8 Yb, C8 H20 N, C4 H10 O'
_chemical_formula_sum            'C64 H58 N O9 Yb'
_chemical_formula_weight         1158.15
_chemical_name_systematic
; 
 ? 
;
_space_group_IT_number           152
_symmetry_cell_setting           trigonal
_symmetry_space_group_name_Hall  'P 31 2"'
_symmetry_space_group_name_H-M   'P 31 2 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                 90.00
_cell_angle_gamma                120.00
_cell_formula_units_Z            3
_cell_length_a                   12.0910(3)
_cell_length_b                   12.0910(3)
_cell_length_c                   30.0744(12)
_cell_measurement_temperature    100(2)
_cell_volume                     3807.6(2)
_computing_cell_refinement       'Bruker SAINT'
_computing_data_collection       'Bruker SMART'
_computing_data_reduction        'Bruker SAINT'
_computing_publication_material  Platon
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 1997)'
_computing_structure_solution    'SHELXS-97 (Sheldrick, 1990)'
_diffrn_ambient_temperature      100(2)
_diffrn_measured_fraction_theta_full 0.971
_diffrn_measured_fraction_theta_max 0.971
_diffrn_measurement_device_type  'SMART 6000'
_diffrn_measurement_method       'omega and phi scans'
_diffrn_radiation_monochromator  'crossed Goebel mirrors'
_diffrn_radiation_source         'fine-focus sealed tube'
_diffrn_radiation_type           CuK\a
_diffrn_radiation_wavelength     1.54178
_diffrn_reflns_av_R_equivalents  0.0943
_diffrn_reflns_av_sigmaI/netI    0.0640
_diffrn_reflns_limit_h_max       14
_diffrn_reflns_limit_h_min       -14
_diffrn_reflns_limit_k_max       9
_diffrn_reflns_limit_k_min       -13
_diffrn_reflns_limit_l_max       36
_diffrn_reflns_limit_l_min       0
_diffrn_reflns_number            10209
_diffrn_reflns_theta_full        71.37
_diffrn_reflns_theta_max         71.37
_diffrn_reflns_theta_min         4.22
_exptl_absorpt_coefficient_mu    3.916
_exptl_absorpt_correction_T_max  0.556
_exptl_absorpt_correction_T_min  0.519
_exptl_absorpt_correction_type   refdelf
_exptl_absorpt_process_details   Platon
_exptl_crystal_colour            yellow
_exptl_crystal_density_diffrn    1.515
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       rod
_exptl_crystal_F_000             1773
_exptl_crystal_size_max          0.3
_exptl_crystal_size_mid          0.15
_exptl_crystal_size_min          0.15
_refine_diff_density_max         3.026
_refine_diff_density_min         -0.664
_refine_diff_density_rms         0.104
_refine_ls_abs_structure_details 'Flack H D (1983), Acta Cryst. A39, 876-881'
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   0.970
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     360
_refine_ls_number_reflns         2747
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      0.970
_refine_ls_R_factor_all          0.0421
_refine_ls_R_factor_gt           0.0385
_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)+(0.0538P)²+0.0000P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0896
_refine_ls_wR_factor_ref         0.0909
_reflns_number_gt                2481
_reflns_number_total             2747
_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            ic0616277sup1.cif
_cod_data_source_block           wg79
_cod_database_code               4333175
loop_
_symmetry_equiv_pos_as_xyz
'x, y, z'
'-y, x-y, z+1/3'
'-x+y, -x, z+2/3'
'y, x, -z'
'-x, -x+y, -z+1/3'
'x-y, -y, -z+2/3'
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
Yb1 Yb 1.0000 0.30551(2) 0.6667 0.02457(6) Uani 1 2 d S . .
C1 C 0.7318(4) 0.0198(4) 0.66254(14) 0.0281(10) Uani 1 1 d . . .
C2 C 0.6188(4) -0.0635(4) 0.63674(16) 0.0357(11) Uani 1 1 d . . .
H2 H 0.6076 -0.0366 0.6090 0.043 Uiso 1 1 calc R . .
C3 C 0.5294(4) -0.1796(4) 0.65207(18) 0.0460(13) Uani 1 1 d . . .
H3 H 0.4577 -0.2293 0.6347 0.055 Uiso 1 1 calc R . .
C4 C 0.5410(4) -0.2278(4) 0.69319(16) 0.0423(12) Uani 1 1 d . . .
C5 C 0.6501(4) -0.1524(4) 0.71926(17) 0.0357(12) Uani 1 1 d . . .
C6 C 0.7479(4) -0.0270(4) 0.70442(14) 0.0266(10) Uani 1 1 d . . .
C7 C 0.4466(5) -0.3475(5) 0.7085(2) 0.0615(19) Uani 1 1 d . . .
H7 H 0.3750 -0.3970 0.6910 0.074 Uiso 1 1 calc R . .
C8 C 0.4586(5) -0.3929(5) 0.7493(3) 0.072(2) Uani 1 1 d . . .
H8 H 0.3945 -0.4718 0.7595 0.087 Uiso 1 1 calc R . .
C9 C 0.5651(5) -0.3213(5) 0.7748(2) 0.0563(15) Uani 1 1 d . . .
H9 H 0.5726 -0.3531 0.8021 0.068 Uiso 1 1 calc R . .
C10 C 0.6630(5) -0.2014(5) 0.76071(18) 0.0432(13) Uani 1 1 d . . .
C11 C 0.7738(6) -0.1273(4) 0.78598(16) 0.0511(15) Uani 1 1 d . . .
H11 H 0.7829 -0.1590 0.8131 0.061 Uiso 1 1 calc R . .
C12 C 0.8683(5) -0.0104(4) 0.77224(16) 0.0450(15) Uani 1 1 d . . .
H12 H 0.9400 0.0347 0.7901 0.054 Uiso 1 1 calc R . .
C13 C 0.8601(4) 0.0447(3) 0.73107(13) 0.0295(10) Uani 1 1 d . . .
C14 C 1.1533(4) 0.5352(4) 0.58904(14) 0.0301(10) Uani 1 1 d . . .
C15 C 1.2756(4) 0.6221(5) 0.56914(15) 0.0382(12) Uani 1 1 d . . .
H15 H 1.3474 0.6194 0.5786 0.046 Uiso 1 1 calc R . .
C16 C 1.2895(5) 0.7065(5) 0.53751(15) 0.0437(14) Uani 1 1 d . . .
H16 H 1.3705 0.7605 0.5260 0.052 Uiso 1 1 calc R . .
C17 C 1.1836(4) 0.7160(4) 0.52087(13) 0.0368(12) Uani 1 1 d . . .
C18 C 1.0610(4) 0.6313(4) 0.53844(14) 0.0333(11) Uani 1 1 d . . .
C19 C 1.0451(4) 0.5428(4) 0.57308(13) 0.0266(10) Uani 1 1 d . . .
C20 C 1.1968(6) 0.8016(5) 0.48705(16) 0.0511(14) Uani 1 1 d . . .
H20 H 1.2776 0.8572 0.4758 0.061 Uiso 1 1 calc R . .
C21 C 1.0921(6) 0.8052(5) 0.47003(16) 0.0530(14) Uani 1 1 d . . .
H21 H 1.1028 0.8622 0.4474 0.064 Uiso 1 1 calc R . .
C22 C 0.9715(5) 0.7236(5) 0.48690(16) 0.0475(12) Uani 1 1 d . . .
H22 H 0.9012 0.7260 0.4755 0.057 Uiso 1 1 calc R . .
C23 C 0.9543(4) 0.6372(4) 0.52111(14) 0.0341(10) Uani 1 1 d . . .
C24 C 0.8314(4) 0.5531(4) 0.53904(15) 0.0379(10) Uani 1 1 d . . .
H24 H 0.7606 0.5547 0.5277 0.045 Uiso 1 1 calc R . .
C25 C 0.8150(4) 0.4706(4) 0.57240(15) 0.0369(11) Uani 1 1 d . . .
H25 H 0.7333 0.4183 0.5836 0.044 Uiso 1 1 calc R . .
C26 C 0.9203(4) 0.4612(4) 0.59120(14) 0.0321(10) Uani 1 1 d . . .
C27 C 0.4688(7) 0.4739(6) 0.5386(2) 0.067(2) Uani 1 1 d . . .
H27A H 0.4623 0.3908 0.5408 0.080 Uiso 1 1 calc R . .
H27B H 0.3830 0.4611 0.5371 0.080 Uiso 1 1 calc R . .
C28 C 0.5367(6) 0.5530(7) 0.5797(2) 0.0711(19) Uani 1 1 d . . .
H28A H 0.6199 0.5617 0.5820 0.107 Uiso 1 1 calc R . .
H28B H 0.4878 0.5110 0.6057 0.107 Uiso 1 1 calc R . .
H28C H 0.5452 0.6360 0.5771 0.107 Uiso 1 1 calc R . .
N1 N 1.0000 0.8129(4) 0.6667 0.0317(12) Uani 1 2 d S . .
C291 C 1.0685(7) 0.9481(7) 0.6833(3) 0.027(2) Uani 0.50 1 d P A 1
H29A H 1.1327 0.9990 0.6613 0.033 Uiso 0.50 1 calc PR A 1
H29B H 1.0071 0.9775 0.6835 0.033 Uiso 0.50 1 calc PR A 1
C301 C 1.1306(5) 0.9791(5) 0.72593(17) 0.0440(13) Uani 0.50 1 d P A 1
H30A H 1.1680 1.0690 0.7313 0.066 Uiso 0.50 1 calc PR A 1
H30B H 1.1961 0.9564 0.7263 0.066 Uiso 0.50 1 calc PR A 1
H30C H 1.0690 0.9325 0.7487 0.066 Uiso 0.50 1 calc PR A 1
C311 C 0.8757(9) 0.7386(9) 0.6979(3) 0.036(2) Uani 0.50 1 d P A 1
H31A H 0.9030 0.7367 0.7280 0.043 Uiso 0.50 1 calc PR A 1
H31B H 0.8301 0.7856 0.6982 0.043 Uiso 0.50 1 calc PR A 1
C321 C 0.7883(5) 0.6073(5) 0.68320(17) 0.0477(14) Uani 0.50 1 d P A 1
H32A H 0.7163 0.5681 0.7029 0.072 Uiso 0.50 1 calc PR A 1
H32B H 0.8321 0.5595 0.6835 0.072 Uiso 0.50 1 calc PR A 1
H32C H 0.7594 0.6085 0.6536 0.072 Uiso 0.50 1 calc PR A 1
C292 C 1.0440(8) 0.8483(7) 0.7130(3) 0.032(2) Uani 0.50 1 d P A 2
H29C H 0.9681 0.8182 0.7313 0.039 Uiso 0.50 1 calc PR A 2
H29D H 1.0839 0.7990 0.7216 0.039 Uiso 0.50 1 calc PR A 2
C302 C 1.1306(5) 0.9791(5) 0.72593(17) 0.0440(13) Uani 0.50 1 d P A 2
H30D H 1.1474 0.9826 0.7572 0.066 Uiso 0.50 1 calc PR A 2
H30E H 1.0926 1.0305 0.7193 0.066 Uiso 0.50 1 calc PR A 2
H30F H 1.2092 1.0109 0.7098 0.066 Uiso 0.50 1 calc PR A 2
C312 C 0.9249(8) 0.6730(8) 0.6594(3) 0.034(2) Uani 0.50 1 d P A 2
H31C H 0.9730 0.6344 0.6706 0.041 Uiso 0.50 1 calc PR A 2
H31D H 0.9127 0.6563 0.6277 0.041 Uiso 0.50 1 calc PR A 2
C322 C 0.7883(5) 0.6073(5) 0.68320(17) 0.0477(14) Uani 0.50 1 d P A 2
H32D H 0.7442 0.5171 0.6775 0.072 Uiso 0.50 1 calc PR A 2
H32E H 0.7391 0.6433 0.6717 0.072 Uiso 0.50 1 calc PR A 2
H32F H 0.7996 0.6221 0.7147 0.072 Uiso 0.50 1 calc PR A 2
O1 O 0.8102(3) 0.1276(3) 0.64646(10) 0.0304(7) Uani 1 1 d . . .
O2 O 0.9540(3) 0.1514(3) 0.71963(9) 0.0319(8) Uani 1 1 d . . .
O3 O 1.1492(3) 0.4623(3) 0.61976(10) 0.0361(8) Uani 1 1 d . . .
O4 O 0.8977(3) 0.3835(3) 0.62276(10) 0.0365(7) Uani 1 1 d . . .
O5 O 0.5363(5) 0.5363(5) 0.5000 0.0489(13) Uani 1 2 d S . .
loop_
_atom_type_symbol
_atom_type_description
_atom_type_scat_dispersion_real
_atom_type_scat_dispersion_imag
_atom_type_scat_source
C C 0.0181 0.0091 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
N N 0.0311 0.0180 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
O O 0.0492 0.0322 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Yb Yb -7.2108 4.4329 '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'
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
O2 Yb1 O2 92.79(16) 5_766 .
O2 Yb1 O1 72.68(10) 5_766 5_766
O2 Yb1 O1 72.43(11) . 5_766
O2 Yb1 O1 72.43(11) 5_766 .
O2 Yb1 O1 72.67(10) . .
O1 Yb1 O1 128.46(17) 5_766 .
O2 Yb1 O4 139.97(10) 5_766 5_766
O2 Yb1 O4 99.63(11) . 5_766
O1 Yb1 O4 75.16(11) 5_766 5_766
O1 Yb1 O4 147.59(10) . 5_766
O2 Yb1 O4 99.63(11) 5_766 .
O2 Yb1 O4 139.97(10) . .
O1 Yb1 O4 147.59(11) 5_766 .
O1 Yb1 O4 75.16(11) . .
O4 Yb1 O4 94.87(15) 5_766 .
O2 Yb1 O3 74.55(12) 5_766 .
O2 Yb1 O3 148.77(12) . .
O1 Yb1 O3 76.53(12) 5_766 .
O1 Yb1 O3 127.15(10) . .
O4 Yb1 O3 75.32(11) 5_766 .
O4 Yb1 O3 71.10(11) . .
O2 Yb1 O3 148.77(12) 5_766 5_766
O2 Yb1 O3 74.55(12) . 5_766
O1 Yb1 O3 127.15(10) 5_766 5_766
O1 Yb1 O3 76.53(12) . 5_766
O4 Yb1 O3 71.10(11) 5_766 5_766
O4 Yb1 O3 75.32(11) . 5_766
O3 Yb1 O3 129.47(18) . 5_766
O1 C1 C6 124.3(4) . .
O1 C1 C2 118.2(4) . .
C6 C1 C2 117.5(4) . .
C3 C2 C1 121.6(5) . .
C3 C2 H2 119.2 . .
C1 C2 H2 119.2 . .
C2 C3 C4 122.4(4) . .
C2 C3 H3 118.8 . .
C4 C3 H3 118.8 . .
C7 C4 C3 121.3(5) . .
C7 C4 C5 120.2(5) . .
C3 C4 C5 118.5(4) . .
C4 C5 C10 118.8(4) . .
C4 C5 C6 121.0(5) . .
C10 C5 C6 120.2(4) . .
C13 C6 C1 121.7(3) . .
C13 C6 C5 119.4(4) . .
C1 C6 C5 118.8(4) . .
C8 C7 C4 120.6(5) . .
C8 C7 H7 119.7 . .
C4 C7 H7 119.7 . .
C9 C8 C7 119.9(5) . .
C9 C8 H8 120.1 . .
C7 C8 H8 120.1 . .
C8 C9 C10 121.6(6) . .
C8 C9 H9 119.2 . .
C10 C9 H9 119.2 . .
C11 C10 C9 122.6(5) . .
C11 C10 C5 118.5(4) . .
C9 C10 C5 118.9(5) . .
C12 C11 C10 122.3(5) . .
C12 C11 H11 118.8 . .
C10 C11 H11 118.8 . .
C11 C12 C13 121.8(5) . .
C11 C12 H12 119.1 . .
C13 C12 H12 119.1 . .
O2 C13 C12 118.3(4) . .
O2 C13 C6 123.9(4) . .
C12 C13 C6 117.7(3) . .
O3 C14 C19 124.8(4) . .
O3 C14 C15 118.6(4) . .
C19 C14 C15 116.6(4) . .
C16 C15 C14 122.6(5) . .
C16 C15 H15 118.7 . .
C14 C15 H15 118.7 . .
C15 C16 C17 122.1(4) . .
C15 C16 H16 118.9 . .
C17 C16 H16 118.9 . .
C20 C17 C18 119.7(5) . .
C20 C17 C16 122.5(4) . .
C18 C17 C16 117.8(4) . .
C17 C18 C23 118.3(4) . .
C17 C18 C19 120.7(4) . .
C23 C18 C19 121.0(4) . .
C26 C19 C18 119.4(4) . .
C26 C19 C14 120.5(4) . .
C18 C19 C14 120.2(4) . .
C21 C20 C17 121.5(5) . .
C21 C20 H20 119.2 . .
C17 C20 H20 119.2 . .
C20 C21 C22 119.7(5) . .
C20 C21 H21 120.2 . .
C22 C21 H21 120.2 . .
C21 C22 C23 120.6(5) . .
C21 C22 H22 119.7 . .
C23 C22 H22 119.7 . .
C22 C23 C18 120.2(4) . .
C22 C23 C24 121.4(5) . .
C18 C23 C24 118.3(4) . .
C25 C24 C23 121.4(4) . .
C25 C24 H24 119.3 . .
C23 C24 H24 119.3 . .
C24 C25 C26 122.3(4) . .
C24 C25 H25 118.8 . .
C26 C25 H25 118.8 . .
O4 C26 C19 123.8(4) . .
O4 C26 C25 118.7(4) . .
C19 C26 C25 117.5(4) . .
O5 C27 C28 110.3(5) . .
O5 C27 H27A 109.6 . .
C28 C27 H27A 109.6 . .
O5 C27 H27B 109.6 . .
C28 C27 H27B 109.6 . .
H27A C27 H27B 108.1 . .
C27 C28 H28A 109.5 . .
C27 C28 H28B 109.5 . .
H28A C28 H28B 109.5 . .
C27 C28 H28C 109.5 . .
H28A C28 H28C 109.5 . .
H28B C28 H28C 109.5 . .
C291 N1 C291 71.2(7) . 5_766
C291 N1 C292 112.0(6) . 5_766
C291 N1 C292 56.5(5) 5_766 5_766
C291 N1 C292 56.5(5) . .
C291 N1 C292 112.0(6) 5_766 .
C292 N1 C292 167.4(8) 5_766 .
C291 N1 C312 112.1(5) . 5_766
C291 N1 C312 168.9(5) 5_766 5_766
C292 N1 C312 113.3(5) 5_766 5_766
C292 N1 C312 77.7(5) . 5_766
C291 N1 C312 168.9(5) . .
C291 N1 C312 112.1(5) 5_766 .
C292 N1 C312 77.7(5) 5_766 .
C292 N1 C312 113.3(5) . .
C312 N1 C312 66.8(8) 5_766 .
C291 N1 C311 83.2(5) . 5_766
C291 N1 C311 105.4(5) 5_766 5_766
C292 N1 C311 73.3(4) 5_766 5_766
C292 N1 C311 107.9(5) . 5_766
C312 N1 C311 65.2(5) 5_766 5_766
C312 N1 C311 105.5(6) . 5_766
C291 N1 C311 105.4(5) . .
C291 N1 C311 83.2(5) 5_766 .
C292 N1 C311 107.9(5) 5_766 .
C292 N1 C311 73.3(4) . .
C312 N1 C311 105.5(6) 5_766 .
C312 N1 C311 65.2(5) . .
C311 N1 C311 169.5(9) 5_766 .
C301 C291 N1 120.8(6) . .
C301 C291 H29A 107.1 . .
N1 C291 H29A 107.1 . .
C301 C291 H29B 107.1 . .
N1 C291 H29B 107.1 . .
H29A C291 H29B 106.8 . .
C291 C301 H30A 109.5 . .
C291 C301 H30B 109.5 . .
H30A C301 H30B 109.5 . .
C291 C301 H30C 109.5 . .
H30A C301 H30C 109.5 . .
H30B C301 H30C 109.5 . .
C321 C311 N1 113.2(7) . .
C321 C311 H31A 108.9 . .
N1 C311 H31A 108.9 . .
C321 C311 H31B 108.9 . .
N1 C311 H31B 108.9 . .
H31A C311 H31B 107.7 . .
C311 C321 H32A 109.5 . .
C311 C321 H32B 109.5 . .
H32A C321 H32B 109.5 . .
C311 C321 H32C 109.5 . .
H32A C321 H32C 109.5 . .
H32B C321 H32C 109.5 . .
N1 C292 H29C 106.9 . .
N1 C292 H29D 106.9 . .
H29C C292 H29D 106.7 . .
N1 C312 H31C 109.0 . .
N1 C312 H31D 109.0 . .
H31C C312 H31D 107.8 . .
C1 O1 Yb1 138.1(3) . .
C13 O2 Yb1 138.1(3) . .
C14 O3 Yb1 139.2(3) . .
C26 O4 Yb1 140.5(3) . .
C27 O5 C27 112.0(7) . 4_556
loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_site_symmetry_2
Yb1 O2 2.298(3) 5_766
Yb1 O2 2.298(3) .
Yb1 O1 2.308(3) 5_766
Yb1 O1 2.308(3) .
Yb1 O4 2.308(3) 5_766
Yb1 O4 2.309(3) .
Yb1 O3 2.328(3) .
Yb1 O3 2.328(3) 5_766
C1 O1 1.263(5) .
C1 C6 1.434(6) .
C1 C2 1.451(6) .
C2 C3 1.354(6) .
C2 H2 0.9300 .
C3 C4 1.404(8) .
C3 H3 0.9300 .
C4 C7 1.399(7) .
C4 C5 1.408(6) .
C5 C10 1.422(8) .
C5 C6 1.450(6) .
C6 C13 1.435(6) .
C7 C8 1.382(10) .
C7 H7 0.9300 .
C8 C9 1.372(9) .
C8 H8 0.9300 .
C9 C10 1.402(7) .
C9 H9 0.9300 .
C10 C11 1.405(7) .
C11 C12 1.363(6) .
C11 H11 0.9300 .
C12 C13 1.432(6) .
C12 H12 0.9300 .
C13 O2 1.268(4) .
C14 O3 1.261(5) .
C14 C19 1.438(7) .
C14 C15 1.448(6) .
C15 C16 1.343(7) .
C15 H15 0.9300 .
C16 C17 1.432(8) .
C16 H16 0.9300 .
C17 C20 1.402(7) .
C17 C18 1.417(6) .
C18 C23 1.425(7) .
C18 C19 1.436(6) .
C19 C26 1.435(6) .
C20 C21 1.386(9) .
C20 H20 0.9300 .
C21 C22 1.385(7) .
C21 H21 0.9300 .
C22 C23 1.406(7) .
C22 H22 0.9300 .
C23 C24 1.422(6) .
C24 C25 1.358(6) .
C24 H24 0.9300 .
C25 C26 1.448(6) .
C25 H25 0.9300 .
C26 O4 1.266(5) .
C27 O5 1.403(7) .
C27 C28 1.524(9) .
C27 H27A 0.9700 .
C27 H27B 0.9700 .
C28 H28A 0.9600 .
C28 H28B 0.9600 .
C28 H28C 0.9600 .
N1 C291 1.501(9) .
N1 C291 1.501(9) 5_766
N1 C292 1.478(8) 5_766
N1 C292 1.478(8) .
N1 C312 1.483(9) 5_766
N1 C312 1.483(10) .
N1 C311 1.611(9) 5_766
N1 C311 1.611(9) .
C291 C301 1.438(9) .
C291 H29A 0.9700 .
C291 H29B 0.9700 .
C301 H30A 0.9600 .
C301 H30B 0.9600 .
C301 H30C 0.9600 .
C311 C321 1.468(10) .
C311 H31A 0.9700 .
C311 H31B 0.9700 .
C321 H32A 0.9600 .
C321 H32B 0.9600 .
C321 H32C 0.9600 .
C292 H29C 0.9700 .
C292 H29D 0.9700 .
C312 H31C 0.9700 .
C312 H31D 0.9700 .
O5 C27 1.403(7) 4_556
