#------------------------------------------------------------------------------
#$Date: 2016-03-21 10:44:17 +0200 (Mon, 21 Mar 2016) $
#$Revision: 178665 $
#$URL: svn://www.crystallography.net/cod/cif/4/07/76/4077624.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_4077624
loop_
_publ_author_name
'Aspinall, Helen C.'
'Bickley, Jamie F.'
'Dwyer, Jennifer L. M.'
'Greeves, Nicholas'
'Kelly, Richard V.'
'Steiner, Alexander'
_publ_section_title
;
 Pinwheel-Shaped Heterobimetallic Lanthanide Alkali Metal
 Binaphtholates:  Ionic Size Matters!
;
_journal_issue                   25
_journal_name_full               Organometallics
_journal_page_first              5416
_journal_paper_doi               10.1021/om0006256
_journal_volume                  19
_journal_year                    2000
_chemical_formula_sum            'C84 H84 Na3 O12 Yb'
_chemical_formula_weight         1527.69
_chemical_name_systematic
;
 ?
;
_space_group_IT_number           173
_symmetry_cell_setting           hexagonal
_symmetry_space_group_name_Hall  'P 6c'
_symmetry_space_group_name_H-M   'P 63'
_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            2
_cell_length_a                   15.1044(17)
_cell_length_b                   15.1044(17)
_cell_length_c                   18.419(2)
_cell_measurement_temperature    213(2)
_cell_volume                     3639.2(7)
_computing_cell_refinement       'CELL (STOE, 1997b)'
_computing_data_collection       'EXPOSE (STOE, 1997a)'
_computing_data_reduction        'INTEGRATE (STOE, 1997c)'
_computing_molecular_graphics    'ORTEP 3 (Farrugia, 1997) '
_computing_publication_material  'SHELXL-97 (Sheldrick, 1997)'
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 1997)'
_computing_structure_solution    'SHELXS-97 (Sheldrick, 1990)'
_diffrn_ambient_temperature      213(2)
_diffrn_detector_area_resol_mean 6.67
_diffrn_measured_fraction_theta_full 0.994
_diffrn_measured_fraction_theta_max 0.994
_diffrn_measurement_device_type  'Stoe IPDS'
_diffrn_measurement_method       'image plate'
_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  0.0461
_diffrn_reflns_av_sigmaI/netI    0.0241
_diffrn_reflns_limit_h_max       16
_diffrn_reflns_limit_h_min       -16
_diffrn_reflns_limit_k_max       16
_diffrn_reflns_limit_k_min       -16
_diffrn_reflns_limit_l_max       19
_diffrn_reflns_limit_l_min       -19
_diffrn_reflns_number            19569
_diffrn_reflns_theta_full        22.48
_diffrn_reflns_theta_max         22.48
_diffrn_reflns_theta_min         1.91
_exptl_absorpt_coefficient_mu    1.279
_exptl_absorpt_correction_type   none
_exptl_crystal_colour            colourless
_exptl_crystal_density_diffrn    1.394
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       block
_exptl_crystal_F_000             1574
_exptl_crystal_size_max          0.3
_exptl_crystal_size_mid          0.26
_exptl_crystal_size_min          0.22
_refine_diff_density_max         0.361
_refine_diff_density_min         -0.337
_refine_diff_density_rms         0.061
_refine_ls_abs_structure_details 'Flack H D (1983), Acta Cryst. A39, 876-881'
_refine_ls_abs_structure_Flack   0.023(14)
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.097
_refine_ls_hydrogen_treatment    mixed
_refine_ls_matrix_type           full
_refine_ls_number_parameters     295
_refine_ls_number_reflns         3144
_refine_ls_number_restraints     11
_refine_ls_restrained_S_all      1.127
_refine_ls_R_factor_all          0.0310
_refine_ls_R_factor_gt           0.0269
_refine_ls_shift/su_max          0.002
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'w=1/[σ²(Fo²)+(0.0211P)²+6.8143P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0632
_refine_ls_wR_factor_ref         0.0645
_reflns_number_gt                2786
_reflns_number_total             3144
_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            om0006256.cif
_cod_data_source_block           jlmd210
_cod_depositor_comments
;
The following automatic conversions were performed:

'_symmetry_cell_setting' value 'Hexagonal' changed to 'hexagonal'
according to /home/saulius/struct/CIF-dictionaries/cif_core.dic
dictionary named 'cif_core.dic' version 2.4.2 from 2011-04-26.

Automatic conversion script
Id: cif_fix_values 1715 2011-07-08 13:25:40Z adriana 

The following automatic conversions were performed:

'_refine_ls_weighting_scheme' value 'calc
w=1/[\s^2^(Fo^2^)+(0.0211P)^2^+6.8143P] where P=(Fo^2^+2Fc^2^)/3' was
changed to 'calc'. New tag '_refine_ls_weighting_details' was
created. The value of the new tag was set to
'w=1/[\s^2^(Fo^2^)+(0.0211P)^2^+6.8143P] where P=(Fo^2^+2Fc^2^)/3'.

Automatic conversion script
Id: cif_fix_values 3143 2015-03-26 13:38:13Z robertas 
;
_cod_original_sg_symbol_H-M      'P 63 '
_cod_database_code               4077624
loop_
_symmetry_equiv_pos_as_xyz
'x, y, z'
'x-y, x, z+1/2'
'-y, x-y, z'
'-x, -y, z+1/2'
'-x+y, -x, z'
'y, -x+y, 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_calc_flag
_atom_site_refinement_flags
_atom_site_disorder_assembly
_atom_site_disorder_group
Yb1 Yb 1.0000 1.0000 1.00546(4) 0.01759(11) Uani 1 d S . .
Na1 Na 0.9662(2) 0.75850(18) 1.04682(16) 0.0458(6) Uani 1 d . . .
C1 C 0.8238(4) 0.7953(4) 0.9393(3) 0.0264(13) Uani 1 d . . .
C2 C 0.7975(4) 0.7868(4) 0.8641(3) 0.0317(14) Uani 1 d . . .
H2 H 0.8503 0.8169 0.8296 0.038 Uiso 1 calc R . .
C3 C 0.6998(5) 0.7371(5) 0.8408(4) 0.0418(16) Uani 1 d . . .
H3 H 0.6855 0.7313 0.7908 0.050 Uiso 1 calc R . .
C4 C 0.6195(5) 0.6942(5) 0.8912(3) 0.0354(15) Uani 1 d . . .
C5 C 0.5148(5) 0.6442(5) 0.8676(4) 0.0457(17) Uani 1 d . . .
H5 H 0.5004 0.6390 0.8176 0.055 Uiso 1 calc R . .
C6 C 0.4354(6) 0.6040(6) 0.9162(4) 0.0541(19) Uani 1 d . . .
H6 H 0.3673 0.5714 0.9000 0.065 Uiso 1 calc R . .
C7 C 0.4578(4) 0.6125(5) 0.9894(4) 0.0460(19) Uani 1 d . . .
H7 H 0.4038 0.5856 1.0231 0.055 Uiso 1 calc R . .
C8 C 0.5575(4) 0.6594(4) 1.0150(4) 0.0370(16) Uani 1 d . . .
H8 H 0.5696 0.6638 1.0653 0.044 Uiso 1 calc R . .
C9 C 0.6412(4) 0.7006(4) 0.9663(4) 0.0367(14) Uani 1 d . . .
C10 C 0.7462(4) 0.7479(4) 0.9902(3) 0.0225(15) Uani 1 d . . .
C11 C 0.7718(4) 0.7530(4) 1.0689(3) 0.0215(12) Uani 1 d . . .
C12 C 0.7409(4) 0.6601(4) 1.1100(3) 0.0310(13) Uani 1 d . . .
C13 C 0.6919(4) 0.5620(4) 1.0767(4) 0.0373(15) Uani 1 d . . .
H13 H 0.6799 0.5561 1.0264 0.045 Uiso 1 calc R . .
C14 C 0.6621(5) 0.4760(5) 1.1178(4) 0.0457(17) Uani 1 d . . .
H14 H 0.6303 0.4116 1.0951 0.055 Uiso 1 calc R . .
C15 C 0.6785(5) 0.4826(5) 1.1936(4) 0.0499(19) Uani 1 d . . .
H15 H 0.6563 0.4230 1.2214 0.060 Uiso 1 calc R . .
C16 C 0.7257(5) 0.5739(5) 1.2251(4) 0.0447(17) Uani 1 d . . .
H16 H 0.7369 0.5776 1.2754 0.054 Uiso 1 calc R . .
C17 C 0.7597(4) 0.6657(5) 1.1859(3) 0.0347(14) Uani 1 d . . .
C18 C 0.8123(4) 0.7622(4) 1.2209(3) 0.0376(15) Uani 1 d . . .
H18 H 0.8246 0.7661 1.2711 0.045 Uiso 1 calc R . .
C19 C 0.8450(4) 0.8495(4) 1.1810(3) 0.0290(13) Uani 1 d . . .
H19 H 0.8816 0.9134 1.2040 0.035 Uiso 1 calc R . .
C20 C 0.8240(4) 0.8447(4) 1.1041(3) 0.0273(13) Uiso 1 d . . .
O1 O 0.9220(3) 0.8456(3) 0.9583(2) 0.0206(9) Uani 1 d . . .
O2 O 1.0658(3) 0.9234(3) 1.0714(2) 0.0236(9) Uani 1 d . . .
O3 O 1.0315(4) 0.6950(3) 1.1355(3) 0.0670(16) Uani 1 d D . .
C30 C 1.1340(6) 0.7458(6) 1.1599(6) 0.091(3) Uani 1 d D . .
H30A H 1.1448 0.7987 1.1953 0.110 Uiso 1 calc R . .
H30B H 1.1806 0.7785 1.1190 0.110 Uiso 1 calc R . .
C31 C 1.1537(8) 0.6708(7) 1.1930(6) 0.108(4) Uani 1 d D . .
H31A H 1.2046 0.6634 1.1647 0.129 Uiso 1 calc R . .
H31B H 1.1801 0.6920 1.2424 0.129 Uiso 1 calc R . .
C32 C 1.0594(7) 0.5759(6) 1.1948(5) 0.069(2) Uani 1 d D . .
H32A H 1.0312 0.5610 1.2441 0.083 Uiso 1 calc R . .
H32B H 1.0692 0.5197 1.1785 0.083 Uiso 1 calc R . .
C33 C 0.9908(6) 0.5899(5) 1.1450(4) 0.063(2) Uani 1 d D . .
H33A H 0.9866 0.5570 1.0983 0.075 Uiso 1 calc R . .
H33B H 0.9219 0.5592 1.1657 0.075 Uiso 1 calc R . .
O4 O 0.9366(4) 0.6313(4) 0.9634(3) 0.0681(15) Uani 1 d D . .
C40 C 0.9776(8) 0.6710(7) 0.8956(4) 0.074(3) Uani 1 d D . .
H40A H 0.9709 0.7313 0.8863 0.088 Uiso 1 calc R A 1
H40B H 1.0507 0.6932 0.8959 0.088 Uiso 1 calc R A 1
C41 C 0.9330(19) 0.6048(19) 0.8427(14) 0.074(8) Uiso 0.43(4) d PD B 1
H41A H 0.9762 0.5778 0.8255 0.089 Uiso 0.43(4) calc PR B 1
H41B H 0.9168 0.6358 0.8018 0.089 Uiso 0.43(4) calc PR B 1
C42 C 0.8278(19) 0.5143(19) 0.8816(12) 0.073(8) Uiso 0.43(4) d PD B 1
H42A H 0.7724 0.5303 0.8817 0.088 Uiso 0.43(4) calc PR B 1
H42B H 0.8040 0.4469 0.8599 0.088 Uiso 0.43(4) calc PR B 1
C41' C 0.892(2) 0.5930(17) 0.8429(13) 0.103(8) Uiso 0.57(4) d PD B 2
H41' H 0.9191 0.5928 0.7947 0.124 Uiso 0.57(4) calc PR B 2
H41' H 0.8353 0.6069 0.8384 0.124 Uiso 0.57(4) calc PR B 2
C42' C 0.857(2) 0.4862(19) 0.8868(11) 0.106(8) Uiso 0.57(4) d PD B 2
H42' H 0.7852 0.4357 0.8788 0.127 Uiso 0.57(4) calc PR B 2
H42' H 0.9000 0.4564 0.8740 0.127 Uiso 0.57(4) calc PR B 2
C43 C 0.8758(8) 0.5248(6) 0.9581(5) 0.086(3) Uani 1 d D . .
H43A H 0.8234 0.4969 0.9961 0.103 Uiso 1 calc R C 1
H43B H 0.9170 0.4913 0.9603 0.103 Uiso 1 calc R C 1
loop_
_atom_type_symbol
_atom_type_description
_atom_type_scat_dispersion_real
_atom_type_scat_dispersion_imag
_atom_type_scat_source
C C 0.0020 0.0020 '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'
O O 0.0080 0.0060 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Na Na 0.0300 0.0250 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Yb Yb -0.8840 5.5480 '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 Yb1 O1 105.44(12) . 5_675
O1 Yb1 O1 105.44(11) . 3_765
O1 Yb1 O1 105.44(11) 5_675 3_765
O1 Yb1 O2 170.00(15) . 3_765
O1 Yb1 O2 81.72(15) 5_675 3_765
O1 Yb1 O2 78.77(15) 3_765 3_765
O1 Yb1 O2 81.72(15) . 5_675
O1 Yb1 O2 78.77(14) 5_675 5_675
O1 Yb1 O2 170.00(16) 3_765 5_675
O2 Yb1 O2 93.07(14) 3_765 5_675
O1 Yb1 O2 78.77(14) . .
O1 Yb1 O2 170.00(15) 5_675 .
O1 Yb1 O2 81.72(15) 3_765 .
O2 Yb1 O2 93.07(14) 3_765 .
O2 Yb1 O2 93.07(14) 5_675 .
O2 Na1 O4 143.7(2) . .
O2 Na1 O3 97.41(17) . .
O4 Na1 O3 94.0(2) . .
O2 Na1 O1 74.97(13) . .
O4 Na1 O1 90.74(18) . .
O3 Na1 O1 171.86(18) . .
O1 C1 C10 121.9(5) . .
O1 C1 C2 119.2(5) . .
C10 C1 C2 118.9(5) . .
C3 C2 C1 122.5(6) . .
C2 C3 C4 120.0(6) . .
C3 C4 C9 119.8(5) . .
C3 C4 C5 120.8(6) . .
C9 C4 C5 119.3(6) . .
C6 C5 C4 121.6(7) . .
C5 C6 C7 118.5(6) . .
C6 C7 C8 122.2(7) . .
C7 C8 C9 120.8(7) . .
C4 C9 C8 117.6(6) . .
C4 C9 C10 119.5(6) . .
C8 C9 C10 122.9(6) . .
C1 C10 C9 119.0(5) . .
C1 C10 C11 119.9(5) . .
C9 C10 C11 120.9(5) . .
C20 C11 C12 118.4(5) . .
C20 C11 C10 121.1(5) . .
C12 C11 C10 120.5(5) . .
C17 C12 C13 118.1(5) . .
C17 C12 C11 119.9(5) . .
C13 C12 C11 122.1(5) . .
C14 C13 C12 120.2(6) . .
C13 C14 C15 121.1(6) . .
C16 C15 C14 119.2(6) . .
C15 C16 C17 122.7(7) . .
C16 C17 C18 121.3(6) . .
C16 C17 C12 118.7(6) . .
C18 C17 C12 120.0(5) . .
C19 C18 C17 119.6(6) . .
C18 C19 C20 120.9(5) . .
O2 C20 C11 123.3(5) 5_675 .
O2 C20 C19 115.6(5) 5_675 .
C11 C20 C19 121.1(5) . .
C1 O1 Yb1 124.2(3) . .
C1 O1 Na1 113.8(3) . .
Yb1 O1 Na1 99.54(15) . .
C20 O2 Na1 135.2(3) 3_765 .
C20 O2 Yb1 119.6(3) 3_765 .
Na1 O2 Yb1 104.12(16) . .
C33 O3 C30 108.5(6) . .
C33 O3 Na1 121.0(4) . .
C30 O3 Na1 124.7(4) . .
O3 C30 C31 107.9(7) . .
C32 C31 C30 107.7(7) . .
C31 C32 C33 105.1(6) . .
O3 C33 C32 107.4(6) . .
C40 O4 C43 109.1(6) . .
C40 O4 Na1 112.2(5) . .
C43 O4 Na1 137.8(5) . .
C41 C40 O4 112.9(13) . .
C41 C40 C41' 19.6(13) . .
O4 C40 C41' 102.0(11) . .
C40 C41 C42 102.9(18) . .
C43 C42 C41 95.8(15) . .
C40 C41' C42' 99.9(16) . .
C43 C42' C41' 98.7(17) . .
O4 C43 C42' 115.0(12) . .
O4 C43 C42 100.7(11) . .
C42' C43 C42 29.2(11) . .
loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_site_symmetry_2
Yb1 O1 2.199(4) .
Yb1 O1 2.199(4) 5_675
Yb1 O1 2.199(4) 3_765
Yb1 O2 2.226(4) 3_765
Yb1 O2 2.226(4) 5_675
Yb1 O2 2.226(4) .
Na1 O2 2.219(5) .
Na1 O4 2.322(6) .
Na1 O3 2.346(5) .
Na1 O1 2.390(5) .
C1 O1 1.331(7) .
C1 C10 1.389(8) .
C1 C2 1.428(8) .
C2 C3 1.348(8) .
C3 C4 1.402(9) .
C4 C9 1.414(9) .
C4 C5 1.437(8) .
C5 C6 1.371(10) .
C6 C7 1.382(10) .
C7 C8 1.387(9) .
C8 C9 1.416(9) .
C9 C10 1.444(8) .
C10 C11 1.491(8) .
C11 C20 1.367(8) .
C11 C12 1.451(8) .
C12 C17 1.421(8) .
C12 C13 1.422(8) .
C13 C14 1.371(8) .
C14 C15 1.413(10) .
C15 C16 1.328(10) .
C16 C17 1.412(8) .
C17 C18 1.419(8) .
C18 C19 1.367(8) .
C19 C20 1.446(8) .
C20 O2 1.327(7) 5_675
O2 C20 1.327(7) 3_765
O3 C33 1.398(7) .
O3 C30 1.415(9) .
C30 C31 1.442(11) .
C31 C32 1.429(12) .
C32 C33 1.476(10) .
O4 C40 1.391(9) .
O4 C43 1.401(9) .
C40 C41 1.32(3) .
C40 C41' 1.58(3) .
C41 C42 1.65(4) .
C42 C43 1.56(2) .
C41' C42' 1.64(3) .
C42' C43 1.41(2) .
loop_
_geom_torsion_atom_site_label_1
_geom_torsion_atom_site_label_2
_geom_torsion_atom_site_label_3
_geom_torsion_atom_site_label_4
_geom_torsion
_geom_torsion_site_symmetry_1
_geom_torsion_site_symmetry_4
O1 C1 C2 C3 -179.9(6) . .
C10 C1 C2 C3 2.1(8) . .
C1 C2 C3 C4 2.0(9) . .
C2 C3 C4 C9 -1.8(9) . .
C2 C3 C4 C5 177.7(6) . .
C3 C4 C5 C6 -178.4(6) . .
C9 C4 C5 C6 1.1(9) . .
C4 C5 C6 C7 0.1(10) . .
C5 C6 C7 C8 -0.6(10) . .
C6 C7 C8 C9 -0.2(9) . .
C3 C4 C9 C8 177.7(5) . .
C5 C4 C9 C8 -1.8(8) . .
C3 C4 C9 C10 -2.4(8) . .
C5 C4 C9 C10 178.1(5) . .
C7 C8 C9 C4 1.4(8) . .
C7 C8 C9 C10 -178.5(5) . .
O1 C1 C10 C9 175.9(5) . .
C2 C1 C10 C9 -6.2(7) . .
O1 C1 C10 C11 0.3(8) . .
C2 C1 C10 C11 178.2(5) . .
C4 C9 C10 C1 6.4(7) . .
C8 C9 C10 C1 -173.7(5) . .
C4 C9 C10 C11 -178.1(5) . .
C8 C9 C10 C11 1.8(8) . .
C1 C10 C11 C20 60.1(7) . .
C9 C10 C11 C20 -115.4(6) . .
C1 C10 C11 C12 -120.4(6) . .
C9 C10 C11 C12 64.2(7) . .
C20 C11 C12 C17 3.8(8) . .
C10 C11 C12 C17 -175.8(5) . .
C20 C11 C12 C13 -176.1(5) . .
C10 C11 C12 C13 4.3(8) . .
C17 C12 C13 C14 1.4(8) . .
C11 C12 C13 C14 -178.6(5) . .
C12 C13 C14 C15 0.5(9) . .
C13 C14 C15 C16 -1.6(10) . .
C14 C15 C16 C17 0.6(10) . .
C15 C16 C17 C18 -178.3(6) . .
C15 C16 C17 C12 1.3(9) . .
C13 C12 C17 C16 -2.3(8) . .
C11 C12 C17 C16 177.8(5) . .
C13 C12 C17 C18 177.3(5) . .
C11 C12 C17 C18 -2.6(8) . .
C16 C17 C18 C19 179.4(5) . .
C12 C17 C18 C19 -0.3(8) . .
C17 C18 C19 C20 1.9(8) . .
C12 C11 C20 O2 178.6(5) . 5_675
C10 C11 C20 O2 -1.9(8) . 5_675
C12 C11 C20 C19 -2.2(8) . .
C10 C11 C20 C19 177.4(5) . .
C18 C19 C20 O2 178.6(5) . 5_675
C18 C19 C20 C11 -0.6(8) . .
C10 C1 O1 Yb1 -77.6(6) . .
C2 C1 O1 Yb1 104.5(5) . .
C10 C1 O1 Na1 43.7(6) . .
C2 C1 O1 Na1 -134.2(4) . .
O1 Yb1 O1 C1 -31.2(5) 5_675 .
O1 Yb1 O1 C1 -142.5(4) 3_765 .
O2 Yb1 O1 C1 103.7(9) 3_765 .
O2 Yb1 O1 C1 44.6(4) 5_675 .
O2 Yb1 O1 C1 139.4(4) . .
O1 Yb1 O1 Na1 -158.79(15) 5_675 .
O1 Yb1 O1 Na1 89.9(2) 3_765 .
O2 Yb1 O1 Na1 -23.8(10) 3_765 .
O2 Yb1 O1 Na1 -82.93(14) 5_675 .
O2 Yb1 O1 Na1 11.89(14) . .
O2 Na1 O1 C1 -146.4(4) . .
O4 Na1 O1 C1 67.5(4) . .
O3 Na1 O1 C1 -167.2(15) . .
O2 Na1 O1 Yb1 -12.12(15) . .
O4 Na1 O1 Yb1 -158.31(19) . .
O3 Na1 O1 Yb1 -32.9(16) . .
O4 Na1 O2 C20 -85.7(6) . 3_765
O3 Na1 O2 C20 21.5(5) . 3_765
O1 Na1 O2 C20 -155.6(5) . 3_765
O4 Na1 O2 Yb1 82.1(3) . .
O3 Na1 O2 Yb1 -170.73(19) . .
O1 Na1 O2 Yb1 12.18(16) . .
O1 Yb1 O2 C20 157.1(4) . 3_765
O1 Yb1 O2 C20 -87.0(10) 5_675 3_765
O1 Yb1 O2 C20 49.4(4) 3_765 3_765
O2 Yb1 O2 C20 -28.7(4) 3_765 3_765
O2 Yb1 O2 C20 -122.0(3) 5_675 3_765
O1 Yb1 O2 Na1 -13.04(17) . .
O1 Yb1 O2 Na1 102.9(9) 5_675 .
O1 Yb1 O2 Na1 -120.69(17) 3_765 .
O2 Yb1 O2 Na1 161.13(14) 3_765 .
O2 Yb1 O2 Na1 67.9(2) 5_675 .
O2 Na1 O3 C33 178.0(6) . .
O4 Na1 O3 C33 -36.6(6) . .
O1 Na1 O3 C33 -161.8(14) . .
O2 Na1 O3 C30 -32.1(7) . .
O4 Na1 O3 C30 113.4(6) . .
O1 Na1 O3 C30 -11.8(19) . .
C33 O3 C30 C31 -6.6(10) . .
Na1 O3 C30 C31 -159.7(6) . .
O3 C30 C31 C32 -5.6(11) . .
C30 C31 C32 C33 14.8(11) . .
C30 O3 C33 C32 15.8(9) . .
Na1 O3 C33 C32 170.1(5) . .
C31 C32 C33 O3 -18.9(10) . .
O2 Na1 O4 C40 -21.3(7) . .
O3 Na1 O4 C40 -129.5(6) . .
O1 Na1 O4 C40 43.8(6) . .
O2 Na1 O4 C43 171.3(8) . .
O3 Na1 O4 C43 63.1(9) . .
O1 Na1 O4 C43 -123.5(9) . .
C43 O4 C40 C41 13.9(11) . .
Na1 O4 C40 C41 -157.1(9) . .
C43 O4 C40 C41' 31.0(12) . .
Na1 O4 C40 C41' -140.0(11) . .
O4 C40 C41 C42 14.5(14) . .
C41' C40 C41 C42 -45(5) . .
C40 C41 C42 C43 -33.7(17) . .
C41 C40 C41' C42' 88(5) . .
O4 C40 C41' C42' -38.2(19) . .
C40 C41' C42' C43 32(2) . .
C40 O4 C43 C42' -9.7(18) . .
Na1 O4 C43 C42' 157.9(14) . .
C40 O4 C43 C42 -36.6(14) . .
Na1 O4 C43 C42 131.0(12) . .
C41' C42' C43 O4 -16(3) . .
C41' C42' C43 C42 50(3) . .
C41 C42 C43 O4 40.4(16) . .
C41 C42 C43 C42' -82(3) . .
