#------------------------------------------------------------------------------
#$Date: 2016-03-21 10:26:36 +0200 (Mon, 21 Mar 2016) $
#$Revision: 178651 $
#$URL: svn://www.crystallography.net/cod/cif/4/07/62/4076225.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_4076225
loop_
_publ_author_name
'Cheung, Mak-Shuen'
'Chan, Hoi-Shan'
'Xie, Zuowei'
_publ_section_title
;
 Synthesis, Structural Characterization, and Reactivity of 13-Vertex
 Lanthanacarboranes Bearing η7-arachno-Carboranyl Ligands
;
_journal_issue                   18
_journal_name_full               Organometallics
_journal_page_first              4468
_journal_paper_doi               10.1021/om050417j
_journal_volume                  24
_journal_year                    2005
_chemical_formula_sum            'C30 H76 B20 Er2 N4 Na2 O4'
_chemical_formula_weight         1153.65
_chemical_name_systematic
; 
 ? 
;
_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                112.64(3)
_cell_angle_beta                 96.47(3)
_cell_angle_gamma                110.51(3)
_cell_formula_units_Z            1
_cell_length_a                   9.787(2)
_cell_length_b                   12.471(3)
_cell_length_c                   12.604(3)
_cell_measurement_temperature    293(2)
_cell_volume                     1274.1(8)
_computing_cell_refinement       'Bruker FRAMBO'
_computing_data_collection       'Bruker FRAMBO'
_computing_data_reduction        'Bruker SHELXTL'
_computing_molecular_graphics    'Bruker SHELXTL'
_computing_publication_material  'Bruker SHELXTL'
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 1997)'
_computing_structure_solution    'SHELXS-97 (Sheldrick, 1990)'
_diffrn_ambient_temperature      293(2)
_diffrn_measured_fraction_theta_full 0.999
_diffrn_measured_fraction_theta_max 0.999
_diffrn_measurement_device_type  'multiwire proportional'
_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  0.0519
_diffrn_reflns_av_sigmaI/netI    0.0665
_diffrn_reflns_limit_h_max       10
_diffrn_reflns_limit_h_min       -11
_diffrn_reflns_limit_k_max       14
_diffrn_reflns_limit_k_min       0
_diffrn_reflns_limit_l_max       13
_diffrn_reflns_limit_l_min       -14
_diffrn_reflns_number            4701
_diffrn_reflns_theta_full        25.00
_diffrn_reflns_theta_max         25.00
_diffrn_reflns_theta_min         2.31
_exptl_absorpt_coefficient_mu    3.325
_exptl_absorpt_correction_T_max  1.0000
_exptl_absorpt_correction_T_min  0.7925
_exptl_absorpt_correction_type   sadabs
_exptl_crystal_colour            pink
_exptl_crystal_density_diffrn    1.504
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       block
_exptl_crystal_F_000             574
_exptl_crystal_size_max          0.20
_exptl_crystal_size_mid          0.20
_exptl_crystal_size_min          0.15
_refine_diff_density_max         2.418
_refine_diff_density_min         -2.376
_refine_diff_density_rms         0.202
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.059
_refine_ls_hydrogen_treatment    riding
_refine_ls_matrix_type           full
_refine_ls_number_parameters     280
_refine_ls_number_reflns         4480
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      1.059
_refine_ls_R_factor_all          0.0717
_refine_ls_R_factor_gt           0.0578
_refine_ls_shift/su_max          0.059
_refine_ls_shift/su_mean         0.011
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'calc w=1/[σ²(Fo²)+(0.0982P)²+3.6449P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1519
_refine_ls_wR_factor_ref         0.1621
_reflns_number_gt                3849
_reflns_number_total             4480
_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            tom050489si20050526_050851.cif
_cod_data_source_block           9
_cod_original_cell_volume        1274.1(4)
_cod_original_sg_symbol_H-M      P(-1)
_cod_database_code               4076225
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
Er1 Er 0.488013(5) 0.616522(4) 0.441190(4) 0.03610(2) Uani 1 1 d .
Na1 Na 0.25826(6) 0.31835(5) -0.07391(5) 0.0619(2) Uani 1 1 d .
O1 O 0.62493(15) 0.85696(10) 0.53437(11) 0.0797(5) Uani 1 1 d .
O2 O 0.20892(18) 0.09447(12) -0.16384(11) 0.0973(6) Uani 1 1 d .
N1 N 0.24628(11) 0.64868(8) 0.41688(9) 0.0453(3) Uani 1 1 d .
N2 N -0.00631(16) 0.27857(14) -0.08801(13) 0.0879(6) Uani 1 1 d .
C2 C 0.69524(14) 0.67114(13) 0.36164(11) 0.0544(5) Uani 1 1 d .
C5 C 0.29380(12) 0.43365(10) 0.27620(9) 0.0355(3) Uani 1 1 d .
C11 C 0.80642(18) 0.81432(15) 0.42018(14) 0.0808(6) Uani 1 1 d .
H11A H 0.8099 0.8431 0.3587 0.097 Uiso 1 1 calc R
H11B H 0.9074 0.8231 0.4504 0.097 Uiso 1 1 calc R
C13 C 0.6438(2) 0.93771(15) 0.65834(17) 0.0874(8) Uani 1 1 d .
H13A H 0.6987 1.0263 0.6769 0.131 Uiso 1 1 calc R
H13B H 0.6996 0.9170 0.7091 0.131 Uiso 1 1 calc R
H13C H 0.5456 0.9235 0.6715 0.131 Uiso 1 1 calc R
C14 C 0.13169(13) 0.41681(13) 0.27567(11) 0.0518(5) Uani 1 1 d .
H14A H 0.0759 0.3933 0.1955 0.062 Uiso 1 1 calc R
H14B H 0.0830 0.3457 0.2932 0.062 Uiso 1 1 calc R
C15 C 0.11899(19) 0.5262(2) 0.3580(4) 0.230(2) Uani 1 1 d .
H15A H 0.0840 0.5061 0.4200 0.276 Uiso 1 1 calc R
H15B H 0.0385 0.5357 0.3155 0.276 Uiso 1 1 calc R
C16 C 0.2136(4) 0.6933(3) 0.3239(3) 0.2125(16) Uani 1 1 d .
H16A H 0.1201 0.7025 0.3233 0.319 Uiso 1 1 calc R
H16B H 0.2046 0.6309 0.2459 0.319 Uiso 1 1 calc R
H16C H 0.2954 0.7746 0.3438 0.319 Uiso 1 1 calc R
C17 C 0.21302(18) 0.73132(16) 0.52120(19) 0.0917(8) Uani 1 1 d .
H17A H 0.1175 0.7321 0.4952 0.138 Uiso 1 1 calc R
H17B H 0.2924 0.8173 0.5575 0.138 Uiso 1 1 calc R
H17C H 0.2075 0.6982 0.5787 0.138 Uiso 1 1 calc R
C18 C -0.11178(18) 0.28850(16) -0.06512(14) 0.0726(6) Uani 1 1 d .
C19 C -0.2501(2) 0.2930(2) -0.04349(18) 0.1184(9) Uani 1 1 d .
H19A H -0.3313 0.2393 -0.1170 0.178 Uiso 1 1 calc R
H19B H -0.2387 0.3800 -0.0135 0.178 Uiso 1 1 calc R
H19C H -0.2735 0.2627 0.0146 0.178 Uiso 1 1 calc R
C20 C 0.0830(3) -0.0005(3) -0.1559(3) 0.1692(19) Uani 1 1 d .
H20A H 0.0197 -0.0693 -0.2348 0.203 Uiso 1 1 calc R
H20B H 0.0211 0.0368 -0.1141 0.203 Uiso 1 1 calc R
C21 C 0.1577(4) -0.0474(2) -0.0865(3) 0.1743(17) Uani 1 1 d .
H21A H 0.1815 0.0060 -0.0010 0.209 Uiso 1 1 calc R
H21B H 0.0922 -0.1354 -0.1060 0.209 Uiso 1 1 calc R
C22 C 0.2849(3) -0.0399(2) -0.1188(3) 0.1544(16) Uani 1 1 d .
H22A H 0.2692 -0.1227 -0.1808 0.185 Uiso 1 1 calc R
H22B H 0.3676 -0.0133 -0.0504 0.185 Uiso 1 1 calc R
C23 C 0.3187(3) 0.0520(2) -0.1622(3) 0.1777(15) Uani 1 1 d .
H23A H 0.4156 0.1242 -0.1115 0.213 Uiso 1 1 calc R
H23B H 0.3277 0.0141 -0.2427 0.213 Uiso 1 1 calc R
B3 B 0.55993(16) 0.61329(13) 0.24162(12) 0.0490(5) Uani 1 1 d .
H3 H 0.4900 0.6359 0.1865 0.059 Uiso 1 1 calc R
B4 B 0.37730(14) 0.50218(12) 0.20160(11) 0.0409(4) Uani 1 1 d .
H4 H 0.3131 0.5317 0.1498 0.049 Uiso 1 1 calc R
B6 B 0.37569(15) 0.35908(12) 0.31707(12) 0.0444(4) Uani 1 1 d .
H6 H 0.3177 0.2990 0.3578 0.053 Uiso 1 1 calc R
B7 B 0.57746(15) 0.42156(12) 0.36788(11) 0.0467(4) Uani 1 1 d .
H7 H 0.6319 0.4473 0.4609 0.056 Uiso 1 1 calc R
B8 B 0.72907(14) 0.56774(14) 0.39112(12) 0.0524(5) Uani 1 1 d .
H8 H 0.8305 0.6015 0.4640 0.063 Uiso 1 1 calc R
B9 B 0.71681(15) 0.56860(15) 0.24857(13) 0.0597(5) Uani 1 1 d .
H9 H 0.8091 0.5964 0.2084 0.072 Uiso 1 1 calc R
B10 B 0.51971(16) 0.43017(14) 0.15042(11) 0.0490(5) Uani 1 1 d .
H10 H 0.5266 0.4337 0.0652 0.059 Uiso 1 1 calc R
B11 B 0.32220(16) 0.33304(13) 0.16427(12) 0.0461(5) Uani 1 1 d .
H11 H 0.2292 0.2507 0.0867 0.055 Uiso 1 1 calc R
B12 B 0.48077(17) 0.31341(13) 0.21316(12) 0.0516(5) Uani 1 1 d .
H12 H 0.4659 0.2135 0.1661 0.062 Uiso 1 1 calc R
B13 B 0.66636(16) 0.42360(15) 0.25264(12) 0.0593(5) Uani 1 1 d .
H13 H 0.7429 0.3780 0.2252 0.071 Uiso 1 1 calc R
C12 C 0.7691(3) 0.9019(2) 0.5212(2) 0.2489(13) Uani 1 1 d .
H12A H 0.8412 0.9275 0.5956 0.299 Uiso 1 1 calc R
H12B H 0.7871 0.9790 0.5121 0.299 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'
B B 0.0013 0.0007 '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'
Na Na 0.0362 0.0249 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Er Er -0.2586 4.9576 '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
C5 Er1 C2 103.73(5) . .
C5 Er1 O1 143.69(5) . .
C2 Er1 O1 71.67(6) . .
C5 Er1 N1 70.20(5) . .
C2 Er1 N1 130.47(5) . .
O1 Er1 N1 85.48(5) . .
C5 Er1 B3 72.42(5) . .
C2 Er1 B3 36.66(5) . .
O1 Er1 B3 86.96(6) . .
N1 Er1 B3 101.07(5) . .
C5 Er1 B4 36.50(5) . .
C2 Er1 B4 72.20(5) . .
O1 Er1 B4 114.02(6) . .
N1 Er1 B4 78.62(5) . .
B3 Er1 B4 37.01(4) . .
C5 Er1 B6 36.29(5) . .
C2 Er1 B6 98.13(6) . .
O1 Er1 B6 169.76(5) . .
N1 Er1 B6 101.02(5) . .
B3 Er1 B6 84.05(6) . .
B4 Er1 B6 60.34(6) . .
C5 Er1 B8 98.33(5) . .
C2 Er1 B8 35.80(6) . .
O1 Er1 B8 96.83(6) . .
N1 Er1 B8 161.17(4) . .
B3 Er1 B8 60.55(6) . .
B4 Er1 B8 83.41(5) . .
B6 Er1 B8 74.46(6) . .
C5 Er1 B7 102.88(5) . 2_666
C2 Er1 B7 140.52(5) . 2_666
O1 Er1 B7 101.83(5) . 2_666
N1 Er1 B7 86.06(5) . 2_666
B3 Er1 B7 169.18(5) . 2_666
B4 Er1 B7 139.36(4) . 2_666
B6 Er1 B7 86.60(5) . 2_666
B8 Er1 B7 111.55(6) . 2_666
C5 Er1 B6 128.01(5) . 2_666
C2 Er1 B6 105.35(5) . 2_666
O1 Er1 B6 86.67(6) . 2_666
N1 Er1 B6 116.79(5) . 2_666
B3 Er1 B6 140.90(5) . 2_666
B4 Er1 B6 155.98(5) . 2_666
B6 Er1 B6 97.24(5) . 2_666
B8 Er1 B6 82.03(5) . 2_666
B7 Er1 B6 35.44(4) 2_666 2_666
C5 Er1 Er1 85.52(4) . 2_666
C2 Er1 Er1 108.19(5) . 2_666
O1 Er1 Er1 130.59(4) . 2_666
N1 Er1 Er1 119.76(4) . 2_666
B3 Er1 Er1 123.23(4) . 2_666
B4 Er1 Er1 112.38(4) . 2_666
B6 Er1 Er1 52.59(4) . 2_666
B8 Er1 Er1 72.50(5) . 2_666
B7 Er1 Er1 46.03(4) 2_666 2_666
B6 Er1 Er1 44.65(4) 2_666 2_666
O2 Na1 N2 95.17(7) . .
O2 Na1 B11 90.19(6) . .
N2 Na1 B11 94.01(7) . .
O2 Na1 B9 113.61(6) . 2_665
N2 Na1 B9 94.52(7) . 2_665
B11 Na1 B9 153.81(4) . 2_665
O2 Na1 B3 95.76(6) . 2_665
N2 Na1 B3 126.81(6) . 2_665
B11 Na1 B3 137.74(5) . 2_665
B9 Na1 B3 34.45(5) 2_665 2_665
O2 Na1 B4 124.84(6) . .
N2 Na1 B4 94.78(6) . .
B11 Na1 B4 35.03(4) . .
B9 Na1 B4 119.44(5) 2_665 .
B3 Na1 B4 119.72(5) 2_665 .
C12 O1 C13 104.13(14) . .
C12 O1 Er1 114.03(14) . .
C13 O1 Er1 121.98(12) . .
C23 O2 C20 103.7(2) . .
C23 O2 Na1 123.99(12) . .
C20 O2 Na1 122.03(17) . .
C15 N1 C17 107.85(17) . .
C15 N1 C16 96.1(2) . .
C17 N1 C16 102.73(18) . .
C15 N1 Er1 108.81(12) . .
C17 N1 Er1 121.09(10) . .
C16 N1 Er1 117.16(16) . .
C18 N2 Na1 161.38(11) . .
C11 C2 B8 123.27(12) . .
C11 C2 B9 120.54(13) . .
B8 C2 B9 68.12(11) . .
C11 C2 B3 119.01(16) . .
B8 C2 B3 115.79(11) . .
B9 C2 B3 68.62(10) . .
C11 C2 Er1 116.20(11) . .
B8 C2 Er1 84.15(9) . .
B9 C2 Er1 123.18(9) . .
B3 C2 Er1 82.20(8) . .
C14 C5 B6 125.10(12) . .
C14 C5 B4 118.66(12) . .
B6 C5 B4 114.45(11) . .
C14 C5 B11 119.53(9) . .
B6 C5 B11 68.23(10) . .
B4 C5 B11 69.11(9) . .
C14 C5 Er1 115.61(8) . .
B6 C5 Er1 83.21(6) . .
B4 C5 Er1 82.78(6) . .
B11 C5 Er1 124.78(8) . .
C2 C11 C12 115.47(17) . .
C15 C14 C5 115.35(11) . .
C14 C15 N1 120.89(19) . .
N2 C18 C19 176.15(15) . .
O2 C20 C21 102.7(2) . .
C22 C21 C20 105.3(3) . .
C21 C22 C23 106.1(3) . .
O2 C23 C22 111.2(3) . .
C2 B3 B4 128.52(13) . .
C2 B3 B9 55.39(9) . .
B4 B3 B9 120.77(12) . .
C2 B3 Er1 61.14(7) . .
B4 B3 Er1 71.65(8) . .
B9 B3 Er1 101.07(9) . .
C2 B3 Na1 101.21(9) . 2_665
B4 B3 Na1 127.33(8) . 2_665
B9 B3 Na1 70.95(8) . 2_665
Er1 B3 Na1 161.00(5) . 2_665
C5 B4 B3 128.90(11) . .
C5 B4 B11 55.66(8) . .
B3 B4 B11 124.37(12) . .
C5 B4 B10 106.92(12) . .
B3 B4 B10 65.47(9) . .
B11 B4 B10 62.33(9) . .
C5 B4 Er1 60.72(6) . .
B3 B4 Er1 71.33(8) . .
B11 B4 Er1 101.66(9) . .
B10 B4 Er1 101.82(7) . .
C5 B4 Na1 111.83(6) . .
B3 B4 Na1 111.49(9) . .
B11 B4 Na1 66.30(7) . .
B10 B4 Na1 69.64(6) . .
Er1 B4 Na1 167.34(7) . .
C5 B6 B7 122.05(11) . .
C5 B6 B12 107.69(12) . .
B7 B6 B12 59.78(8) . .
C5 B6 B11 56.22(9) . .
B7 B6 B11 108.66(11) . .
B12 B6 B11 57.59(9) . .
C5 B6 Er1 60.50(6) . .
B7 B6 Er1 72.19(7) . .
B12 B6 Er1 111.09(8) . .
B11 B6 Er1 102.01(9) . .
C5 B6 Er1 133.96(8) . 2_666
B7 B6 Er1 62.67(7) . 2_666
B12 B6 Er1 111.11(9) . 2_666
B11 B6 Er1 168.64(10) . 2_666
Er1 B6 Er1 82.76(5) . 2_666
B13 B7 B6 113.09(10) . .
B13 B7 B12 57.70(8) . .
B6 B7 B12 60.63(9) . .
B13 B7 B8 60.40(8) . .
B6 B7 B8 132.71(13) . .
B12 B7 B8 113.05(12) . .
B13 B7 Er1 159.45(11) . 2_666
B6 B7 Er1 81.90(8) . 2_666
B12 B7 Er1 126.54(9) . 2_666
B8 B7 Er1 120.41(8) . 2_666
C2 B8 B9 56.05(10) . .
C2 B8 B7 121.17(11) . .
B9 B8 B7 107.23(9) . .
C2 B8 B13 107.85(12) . .
B9 B8 B13 57.40(9) . .
B7 B8 B13 59.48(9) . .
C2 B8 Er1 60.05(8) . .
B9 B8 Er1 100.18(10) . .
B7 B8 Er1 71.35(7) . .
B13 B8 Er1 110.10(8) . .
C2 B9 B13 111.27(13) . .
C2 B9 B8 55.83(10) . .
B13 B9 B8 61.42(10) . .
C2 B9 B3 55.99(9) . .
B13 B9 B3 112.58(11) . .
B8 B9 B3 97.99(11) . .
C2 B9 B10 108.72(11) . .
B13 B9 B10 61.10(9) . .
B8 B9 B10 102.96(11) . .
B3 B9 B10 64.02(8) . .
C2 B9 Na1 103.99(11) . 2_665
B13 B9 Na1 141.28(8) . 2_665
B8 B9 Na1 157.31(9) . 2_665
B3 B9 Na1 74.60(9) . 2_665
B10 B9 Na1 93.11(9) . 2_665
B12 B10 B13 55.01(9) . .
B12 B10 B9 106.31(11) . .
B13 B10 B9 54.01(9) . .
B12 B10 B4 99.81(10) . .
B13 B10 B4 124.58(10) . .
B9 B10 B4 103.96(9) . .
B12 B10 B11 54.04(9) . .
B13 B10 B11 106.53(12) . .
B9 B10 B11 140.78(10) . .
B4 B10 B11 55.81(8) . .
C5 B11 B12 110.17(10) . .
C5 B11 B6 55.55(9) . .
B12 B11 B6 61.02(10) . .
C5 B11 B4 55.23(8) . .
B12 B11 B4 109.62(10) . .
B6 B11 B4 95.95(9) . .
C5 B11 B10 106.18(9) . .
B12 B11 B10 60.08(9) . .
B6 B11 B10 100.73(9) . .
B4 B11 B10 61.85(9) . .
C5 B11 Na1 121.72(11) . .
B12 B11 Na1 118.30(9) . .
B6 B11 Na1 174.10(8) . .
B4 B11 Na1 78.67(8) . .
B10 B11 Na1 74.65(8) . .
B13 B12 B11 124.84(14) . .
B13 B12 B7 61.01(9) . .
B11 B12 B7 111.70(12) . .
B13 B12 B6 115.12(9) . .
B11 B12 B6 61.40(9) . .
B7 B12 B6 59.58(8) . .
B13 B12 B10 62.63(10) . .
B11 B12 B10 65.87(10) . .
B7 B12 B10 99.76(9) . .
B6 B12 B10 104.87(12) . .
B9 B13 B12 123.42(14) . .
B9 B13 B7 110.87(12) . .
B12 B13 B7 61.29(9) . .
B9 B13 B8 61.18(10) . .
B12 B13 B8 116.03(12) . .
B7 B13 B8 60.12(8) . .
B9 B13 B10 64.89(10) . .
B12 B13 B10 62.36(10) . .
B7 B13 B10 99.76(11) . .
B8 B13 B10 105.39(13) . .
O1 C12 C11 118.72(16) . .
loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_site_symmetry_2
Er1 C5 2.3577(18) .
Er1 C2 2.3661(16) .
Er1 O1 2.5069(16) .
Er1 N1 2.5393(13) .
Er1 B3 2.6766(17) .
Er1 B4 2.6816(17) .
Er1 B6 2.6899(18) .
Er1 B8 2.7165(17) .
Er1 B7 2.7278(16) 2_666
Er1 B6 3.0400(18) 2_666
Er1 Er1 3.7969(8) 2_666
Na1 O2 2.4101(18) .
Na1 N2 2.4312(18) .
Na1 B11 2.9171(18) .
Na1 B9 3.027(2) 2_665
Na1 B3 3.0876(19) 2_665
Na1 B4 3.124(2) .
O1 C12 1.379(3) .
O1 C13 1.443(2) .
O2 C23 1.355(4) .
O2 C20 1.424(4) .
N1 C15 1.422(2) .
N1 C17 1.478(2) .
N1 C16 1.526(4) .
N2 C18 1.137(3) .
C2 C11 1.536(2) .
C2 B8 1.597(3) .
C2 B9 1.601(2) .
C2 B3 1.613(2) .
C5 C14 1.5246(18) .
C5 B6 1.603(2) .
C5 B4 1.608(2) .
C5 B11 1.6160(19) .
C11 C12 1.504(3) .
C14 C15 1.418(3) .
C18 C19 1.427(3) .
C20 C21 1.480(6) .
C21 C22 1.337(5) .
C22 C23 1.408(5) .
B3 B4 1.7007(19) .
B3 B9 1.812(3) .
B3 Na1 3.0876(19) 2_665
B4 B11 1.828(2) .
B4 B10 1.949(2) .
B6 B7 1.780(2) .
B6 B12 1.799(2) .
B6 B11 1.806(2) .
B6 Er1 3.0400(18) 2_666
B7 B13 1.779(2) .
B7 B12 1.7839(19) .
B7 B8 1.791(2) .
B7 Er1 2.7278(16) 2_666
B8 B9 1.791(2) .
B8 B13 1.796(2) .
B9 B13 1.723(3) .
B9 B10 1.928(2) .
B9 Na1 3.027(2) 2_665
B10 B12 1.859(3) .
B10 B13 1.864(3) .
B10 B11 1.958(2) .
B11 B12 1.736(3) .
B12 B13 1.719(2) .
