#------------------------------------------------------------------------------
#$Date: 2016-03-26 02:35:20 +0200 (Sat, 26 Mar 2016) $
#$Revision: 180146 $
#$URL: svn://www.crystallography.net/cod/cif/7/10/43/7104395.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_7104395
loop_
_publ_author_name
'Tarasenko, Maria S'
'Golenkov, Eugeny O'
'Naumov, Nikolay G'
'Moroz, Nikolay K'
'Fedorov, Vladimir E'
_publ_section_title
;
 Unusual H-bonding in novel cyano-cluster polymeric hydrates
 [(H){Ln(H2O)4}{Re6S8(CN)6}]*2H2O (Ln = Yb, Lu).
;
_journal_issue                   19
_journal_name_full
'Chemical communications (Cambridge, England)'
_journal_page_first              2655
_journal_page_last               2657
_journal_paper_doi               10.1039/b820722d
_journal_volume                  34
_journal_year                    2009
_chemical_formula_sum            'C6 H13 N6 O6 Re6 S8 Yb'
_chemical_formula_weight         1811.94
_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   none
_atom_sites_solution_primary     direct
_atom_sites_solution_secondary   difmap
_audit_creation_method           SHELXL-97
_cell_angle_alpha                90.00
_cell_angle_beta                 121.840(3)
_cell_angle_gamma                90.00
_cell_formula_units_Z            4
_cell_length_a                   20.2849(16)
_cell_length_b                   12.5696(16)
_cell_length_c                   12.4395(12)
_cell_measurement_reflns_used    2435
_cell_measurement_temperature    170(2)
_cell_measurement_theta_max      29.46
_cell_measurement_theta_min      2.31
_cell_volume                     2694.5(5)
_computing_cell_refinement       'SAINT (Bruker, 2004)'
_computing_data_collection       'APEX2 (Bruker, 2004)'
_computing_data_reduction        'SAINT (Bruker, 2004)'
_computing_molecular_graphics    'SHELXTL (Bruker, 2004)'
_computing_publication_material  'SHELXTL (Bruker, 2004)'
_computing_structure_refinement  'SHELXTL (Bruker, 2004)'
_computing_structure_solution    'SHELXTL (Bruker, 2004)'
_diffrn_ambient_temperature      170(2)
_diffrn_detector_area_resol_mean 25
_diffrn_measured_fraction_theta_full 0.996
_diffrn_measured_fraction_theta_max 0.996
_diffrn_measurement_device_type  'Bruker Nonius X8Apex CCD area-detector'
_diffrn_measurement_method       'φ 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  0.0485
_diffrn_reflns_av_sigmaI/netI    0.0593
_diffrn_reflns_limit_h_max       26
_diffrn_reflns_limit_h_min       -23
_diffrn_reflns_limit_k_max       16
_diffrn_reflns_limit_k_min       -10
_diffrn_reflns_limit_l_max       14
_diffrn_reflns_limit_l_min       -16
_diffrn_reflns_number            9579
_diffrn_reflns_theta_full        28.28
_diffrn_reflns_theta_max         28.28
_diffrn_reflns_theta_min         2.01
_diffrn_standards_decay_%        0
_diffrn_standards_number         0
_exptl_absorpt_coefficient_mu    30.929
_exptl_absorpt_correction_T_max  0.2584
_exptl_absorpt_correction_T_min  0.1910
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   'SADABS (Bruker, 2004)'
_exptl_crystal_colour            orange
_exptl_crystal_density_diffrn    4.467
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       prism
_exptl_crystal_F_000             3148
_exptl_crystal_size_max          0.08
_exptl_crystal_size_mid          0.06
_exptl_crystal_size_min          0.06
_refine_diff_density_max         2.429
_refine_diff_density_min         -2.309
_refine_diff_density_rms         0.420
_refine_ls_extinction_coef       0
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.149
_refine_ls_hydrogen_treatment    none
_refine_ls_matrix_type           full
_refine_ls_number_parameters     182
_refine_ls_number_reflns         3334
_refine_ls_number_restraints     18
_refine_ls_restrained_S_all      1.147
_refine_ls_R_factor_all          0.0633
_refine_ls_R_factor_gt           0.0490
_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)+(0.0001P)²+237.9536P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0911
_refine_ls_wR_factor_ref         0.0936
_reflns_number_gt                2667
_reflns_number_total             3334
_reflns_threshold_expression     >2σ(I)
_cod_data_source_file            b820722d.txt
_cod_data_source_block           t40-6_fin
_cod_original_sg_symbol_H-M      'C 2/c'
_cod_database_code               7104395
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
Re1 Re 0.19582(3) 0.12437(5) 0.93857(6) 0.01899(16) Uani 1 1 d . . .
Re2 Re 0.19788(3) 0.27703(5) 1.08122(6) 0.01775(15) Uani 1 1 d . . .
Re3 Re 0.17411(3) 0.32006(5) 0.85845(5) 0.01856(15) Uani 1 1 d . . .
Yb1 Yb 0.0056(3) -0.23157(10) 0.7730(2) 0.0232(6) Uani 0.50 1 d P . .
S1 S 0.2221(2) 0.0941(3) 1.1488(4) 0.0245(8) Uani 1 1 d . . .
S2 S 0.1816(2) 0.4570(3) 1.0021(4) 0.0260(9) Uani 1 1 d . . .
S3 S 0.1785(2) 0.1731(3) 0.7382(3) 0.0232(8) Uani 1 1 d . . .
S4 S 0.0822(2) 0.2246(3) 0.8887(4) 0.0242(8) Uani 1 1 d . . .
N1 N 0.0878(9) -0.0877(12) 0.8169(15) 0.040(4) Uani 1 1 d . . .
N2 N 0.0952(9) 0.2960(14) 1.2116(15) 0.042(4) Uani 1 1 d . . .
N3 N 0.0454(8) 0.4397(13) 0.6013(13) 0.037(4) Uani 1 1 d . . .
C1 C 0.1275(9) -0.0142(13) 0.8626(15) 0.025(3) Uani 1 1 d . . .
C2 C 0.1346(9) 0.2996(14) 1.1725(15) 0.027(4) Uani 1 1 d . . .
C3 C 0.0912(9) 0.3973(13) 0.6920(15) 0.024(3) Uani 1 1 d . . .
O1 O 0.0121(16) -0.4152(18) 0.786(2) 0.039(7) Uani 0.50 1 d PU . .
O2 O 0.0101(15) -0.153(3) 0.945(2) 0.048(8) Uani 0.50 1 d P . .
O4 O -0.0766(15) -0.279(3) 0.563(2) 0.057(10) Uani 0.50 1 d P . .
O3 O 0.1266(18) -0.278(2) 0.962(2) 0.041(6) Uani 0.50 1 d PU . .
O1W O 0.240(3) -0.274(4) 1.019(5) 0.102(15) Uani 0.50 1 d PU . .
O2W O -0.010(5) -0.048(13) 0.989(9) 0.25(9) Uani 0.50 1 d P . .
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'
Yb Yb -0.3850 5.5486 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Re Re -1.0185 7.2310 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
S S 0.1246 0.1234 '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
C1 Re1 S4 90.2(4) . . ?
C1 Re1 S3 92.5(5) . . ?
S4 Re1 S3 90.17(14) . . ?
C1 Re1 S1 94.2(5) . . ?
S4 Re1 S1 89.76(14) . . ?
S3 Re1 S1 173.34(14) . . ?
C1 Re1 S2 96.6(4) . 7_557 ?
S4 Re1 S2 173.26(14) . 7_557 ?
S3 Re1 S2 89.35(14) . 7_557 ?
S1 Re1 S2 89.94(14) . 7_557 ?
C1 Re1 Re2 133.2(4) . . ?
S4 Re1 Re2 57.12(10) . . ?
S3 Re1 Re2 117.40(10) . . ?
S1 Re1 Re2 57.35(10) . . ?
S2 Re1 Re2 117.43(10) 7_557 . ?
C1 Re1 Re3 132.0(4) . . ?
S4 Re1 Re3 57.34(10) . . ?
S3 Re1 Re3 57.30(10) . . ?
S1 Re1 Re3 117.46(10) . . ?
S2 Re1 Re3 117.13(10) 7_557 . ?
Re2 Re1 Re3 60.15(2) . . ?
C1 Re1 Re3 138.1(4) . 7_557 ?
S4 Re1 Re3 116.90(10) . 7_557 ?
S3 Re1 Re3 117.09(10) . 7_557 ?
S1 Re1 Re3 57.28(10) . 7_557 ?
S2 Re1 Re3 57.65(10) 7_557 7_557 ?
Re2 Re1 Re3 59.82(2) . 7_557 ?
Re3 Re1 Re3 89.89(3) . 7_557 ?
C1 Re1 Re2 136.8(5) . 7_557 ?
S4 Re1 Re2 117.04(10) . 7_557 ?
S3 Re1 Re2 57.15(9) . 7_557 ?
S1 Re1 Re2 117.22(10) . 7_557 ?
S2 Re1 Re2 57.40(10) 7_557 7_557 ?
Re2 Re1 Re2 89.85(3) . 7_557 ?
Re3 Re1 Re2 59.75(2) . 7_557 ?
Re3 Re1 Re2 59.97(2) 7_557 7_557 ?
C2 Re2 S4 91.2(4) . . ?
C2 Re2 S3 95.3(4) . 7_557 ?
S4 Re2 S3 173.48(14) . 7_557 ?
C2 Re2 S1 90.6(5) . . ?
S4 Re2 S1 89.88(14) . . ?
S3 Re2 S1 90.16(14) 7_557 . ?
C2 Re2 S2 95.8(5) . . ?
S4 Re2 S2 89.94(14) . . ?
S3 Re2 S2 89.30(14) 7_557 . ?
S1 Re2 S2 173.63(14) . . ?
C2 Re2 Re3 134.4(4) . 7_557 ?
S4 Re2 Re3 117.53(10) . 7_557 ?
S3 Re2 Re3 57.40(10) 7_557 7_557 ?
S1 Re2 Re3 57.43(10) . 7_557 ?
S2 Re2 Re3 117.29(10) . 7_557 ?
C2 Re2 Re1 131.6(5) . . ?
S4 Re2 Re1 57.33(10) . . ?
S3 Re2 Re1 117.60(10) 7_557 . ?
S1 Re2 Re1 57.33(10) . . ?
S2 Re2 Re1 117.58(11) . . ?
Re3 Re2 Re1 60.24(2) 7_557 . ?
C2 Re2 Re3 135.4(4) . . ?
S4 Re2 Re3 57.34(10) . . ?
S3 Re2 Re3 117.11(10) 7_557 . ?
S1 Re2 Re3 117.29(10) . . ?
S2 Re2 Re3 57.62(10) . . ?
Re3 Re2 Re3 90.04(3) 7_557 . ?
Re1 Re2 Re3 60.00(2) . . ?
C2 Re2 Re1 138.2(5) . 7_557 ?
S4 Re2 Re1 117.29(10) . 7_557 ?
S3 Re2 Re1 57.16(10) 7_557 7_557 ?
S1 Re2 Re1 117.40(10) . 7_557 ?
S2 Re2 Re1 57.30(10) . 7_557 ?
Re3 Re2 Re1 60.01(2) 7_557 7_557 ?
Re1 Re2 Re1 90.15(3) . 7_557 ?
Re3 Re2 Re1 59.98(2) . 7_557 ?
C3 Re3 S3 90.9(4) . . ?
C3 Re3 S4 95.8(4) . . ?
S3 Re3 S4 90.00(14) . . ?
C3 Re3 S1 91.0(4) . 7_557 ?
S3 Re3 S1 90.06(14) . 7_557 ?
S4 Re3 S1 173.19(13) . 7_557 ?
C3 Re3 S2 96.0(4) . . ?
S3 Re3 S2 173.12(13) . . ?
S4 Re3 S2 89.50(14) . . ?
S1 Re3 S2 89.63(14) 7_557 . ?
C3 Re3 Re2 131.5(4) . 7_557 ?
S3 Re3 Re2 57.30(9) . 7_557 ?
S4 Re3 Re2 117.35(10) . 7_557 ?
S1 Re3 Re2 57.37(10) 7_557 7_557 ?
S2 Re3 Re2 117.14(10) . 7_557 ?
C3 Re3 Re1 134.6(4) . . ?
S3 Re3 Re1 57.22(10) . . ?
S4 Re3 Re1 57.16(10) . . ?
S1 Re3 Re1 117.57(10) 7_557 . ?
S2 Re3 Re1 117.13(10) . . ?
Re2 Re3 Re1 60.24(2) 7_557 . ?
C3 Re3 Re2 138.5(4) . . ?
S3 Re3 Re2 117.03(10) . . ?
S4 Re3 Re2 56.96(10) . . ?
S1 Re3 Re2 117.22(10) 7_557 . ?
S2 Re3 Re2 57.31(10) . . ?
Re2 Re3 Re2 89.96(3) 7_557 . ?
Re1 Re3 Re2 59.85(2) . . ?
C3 Re3 Re1 135.1(4) . 7_557 ?
S3 Re3 Re1 117.20(9) . 7_557 ?
S4 Re3 Re1 116.98(10) . 7_557 ?
S1 Re3 Re1 57.20(10) 7_557 7_557 ?
S2 Re3 Re1 57.24(10) . 7_557 ?
Re2 Re3 Re1 59.94(2) 7_557 7_557 ?
Re1 Re3 Re1 90.11(3) . 7_557 ?
Re2 Re3 Re1 60.05(2) . 7_557 ?
Yb1 Yb1 O4 152.8(15) 2_556 2_556 ?
Yb1 Yb1 N2 102.1(12) 2_556 5_557 ?
O4 Yb1 N2 90.2(9) 2_556 5_557 ?
Yb1 Yb1 O2 147.6(11) 2_556 . ?
O4 Yb1 O2 59.4(14) 2_556 . ?
N2 Yb1 O2 71.1(9) 5_557 . ?
Yb1 Yb1 O1 93.3(6) 2_556 . ?
O4 Yb1 O1 67.9(12) 2_556 . ?
N2 Yb1 O1 70.2(9) 5_557 . ?
O2 Yb1 O1 112.7(11) . . ?
Yb1 Yb1 O4 21.6(12) 2_556 . ?
O4 Yb1 O4 146(2) 2_556 . ?
N2 Yb1 O4 82.1(9) 5_557 . ?
O2 Yb1 O4 143.8(9) . . ?
O1 Yb1 O4 78.8(10) . . ?
Yb1 Yb1 N1 96.3(9) 2_556 . ?
O4 Yb1 N1 86.9(10) 2_556 . ?
N2 Yb1 N1 144.5(6) 5_557 . ?
O2 Yb1 N1 77.1(9) . . ?
O1 Yb1 N1 139.0(8) . . ?
O4 Yb1 N1 117.7(10) . . ?
Yb1 Yb1 O1 74.9(6) 2_556 2_556 ?
O4 Yb1 O1 86.3(12) 2_556 2_556 ?
N2 Yb1 O1 72.0(9) 5_557 2_556 ?
O2 Yb1 O1 128.5(11) . 2_556 ?
O1 Yb1 O1 18.7(11) . 2_556 ?
O4 Yb1 O1 60.2(10) . 2_556 ?
N1 Yb1 O1 142.8(9) . 2_556 ?
Yb1 Yb1 O3 138.1(14) 2_556 . ?
O4 Yb1 O3 19.4(10) 2_556 . ?
N2 Yb1 O3 109.1(8) 5_557 . ?
O2 Yb1 O3 71.2(10) . . ?
O1 Yb1 O3 72.5(9) . . ?
O4 Yb1 O3 142.7(9) . . ?
N1 Yb1 O3 73.9(8) . . ?
O1 Yb1 O3 88.7(9) 2_556 . ?
Yb1 Yb1 N1 72.1(8) 2_556 2_556 ?
O4 Yb1 N1 134.8(12) 2_556 2_556 ?
N2 Yb1 N1 77.8(6) 5_557 2_556 ?
O2 Yb1 N1 75.5(8) . 2_556 ?
O1 Yb1 N1 141.1(8) . 2_556 ?
O4 Yb1 N1 75.4(8) . 2_556 ?
N1 Yb1 N1 79.4(8) . 2_556 ?
O1 Yb1 N1 128.6(7) 2_556 2_556 ?
O3 Yb1 N1 141.0(8) . 2_556 ?
Yb1 Yb1 N2 66.6(12) 2_556 6 ?
O4 Yb1 N2 88.1(11) 2_556 6 ?
N2 Yb1 N2 138.4(8) 5_557 6 ?
O2 Yb1 N2 139.0(8) . 6 ?
O1 Yb1 N2 70.7(9) . 6 ?
O4 Yb1 N2 76.9(8) . 6 ?
N1 Yb1 N2 76.9(6) . 6 ?
O1 Yb1 N2 66.4(8) 2_556 6 ?
O3 Yb1 N2 71.4(8) . 6 ?
N1 Yb1 N2 129.1(6) 2_556 6 ?
Yb1 Yb1 O2 26.9(9) 2_556 2_556 ?
O4 Yb1 O2 144.7(10) 2_556 2_556 ?
N2 Yb1 O2 124.3(7) 5_557 2_556 ?
O2 Yb1 O2 133.6(16) . 2_556 ?
O1 Yb1 O2 113.7(10) . 2_556 ?
O4 Yb1 O2 48.4(11) . 2_556 ?
N1 Yb1 O2 69.4(8) . 2_556 ?
O1 Yb1 O2 97.0(10) 2_556 2_556 ?
O3 Yb1 O2 125.3(9) . 2_556 ?
N1 Yb1 O2 67.7(8) 2_556 2_556 ?
N2 Yb1 O2 61.9(8) 6 2_556 ?
Re1 S1 Re2 65.32(10) . . ?
Re1 S1 Re3 65.52(10) . 7_557 ?
Re2 S1 Re3 65.20(10) . 7_557 ?
Re1 S2 Re2 65.30(10) 7_557 . ?
Re1 S2 Re3 65.12(10) 7_557 . ?
Re2 S2 Re3 65.07(10) . . ?
Re2 S3 Re1 65.69(10) 7_557 . ?
Re2 S3 Re3 65.30(10) 7_557 . ?
Re1 S3 Re3 65.48(10) . . ?
Re2 S4 Re1 65.55(10) . . ?
Re2 S4 Re3 65.70(10) . . ?
Re1 S4 Re3 65.50(10) . . ?
C1 N1 Yb1 164.6(15) . . ?
C1 N1 Yb1 173.3(15) . 2_556 ?
Yb1 N1 Yb1 11.62(13) . 2_556 ?
C2 N2 Yb1 155.3(16) . 5_557 ?
C2 N2 Yb1 162.3(16) . 6_556 ?
Yb1 N2 Yb1 11.31(14) 5_557 6_556 ?
N1 C1 Re1 177.2(16) . . ?
N2 C2 Re2 168.5(16) . . ?
N3 C3 Re3 179.4(15) . . ?
O1 O1 Yb1 86.5(6) 2_556 . ?
O1 O1 Yb1 74.8(6) 2_556 2_556 ?
Yb1 O1 Yb1 11.84(15) . 2_556 ?
O2W O2 Yb1 142(4) . . ?
O2W O2 Yb1 137(4) . 2_556 ?
Yb1 O2 Yb1 5.52(18) . 2_556 ?
O3 O4 Yb1 117(3) 2_556 2_556 ?
O3 O4 Yb1 113(3) 2_556 . ?
Yb1 O4 Yb1 5.6(3) 2_556 . ?
O4 O3 Yb1 44(2) 2_556 . ?
O4 O3 Yb1 50(2) 2_556 2_556 ?
Yb1 O3 Yb1 6.8(2) . 2_556 ?
O2W O2W O2 142(10) 5_557 . ?
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
Re1 C1 2.113(16) . ?
Re1 S4 2.403(4) . ?
Re1 S3 2.405(4) . ?
Re1 S1 2.408(4) . ?
Re1 S2 2.417(4) 7_557 ?
Re1 Re2 2.5990(9) . ?
Re1 Re3 2.6027(9) . ?
Re1 Re3 2.6069(8) 7_557 ?
Re1 Re2 2.6088(8) 7_557 ?
Re2 C2 2.133(17) . ?
Re2 S4 2.398(4) . ?
Re2 S3 2.405(4) 7_557 ?
Re2 S1 2.408(4) . ?
Re2 S2 2.419(4) . ?
Re2 Re3 2.5960(8) 7_557 ?
Re2 Re3 2.6066(9) . ?
Re2 Re1 2.6088(9) 7_557 ?
Re3 C3 2.093(16) . ?
Re3 S3 2.407(4) . ?
Re3 S4 2.408(4) . ?
Re3 S1 2.410(4) 7_557 ?
Re3 S2 2.428(4) . ?
Re3 Re2 2.5960(8) 7_557 ?
Re3 Re1 2.6069(8) 7_557 ?
Yb1 Yb1 0.491(4) 2_556 ?
Yb1 O4 1.87(3) 2_556 ?
Yb1 N2 2.300(16) 5_557 ?
Yb1 O2 2.31(2) . ?
Yb1 O1 2.31(2) . ?
Yb1 O4 2.32(3) . ?
Yb1 N1 2.321(16) . ?
Yb1 O1 2.39(2) 2_556 ?
Yb1 O3 2.41(3) . ?
Yb1 N1 2.424(15) 2_556 ?
Yb1 N2 2.450(16) 6 ?
Yb1 O2 2.74(2) 2_556 ?
S1 Re3 2.410(4) 7_557 ?
S2 Re1 2.417(4) 7_557 ?
S3 Re2 2.405(4) 7_557 ?
N1 C1 1.16(2) . ?
N1 Yb1 2.424(15) 2_556 ?
N2 C2 1.14(2) . ?
N2 Yb1 2.300(16) 5_557 ?
N2 Yb1 2.450(16) 6_556 ?
N3 C3 1.15(2) . ?
O1 O1 0.77(4) 2_556 ?
O1 Yb1 2.39(2) 2_556 ?
O2 O2W 1.57(17) . ?
O2 Yb1 2.74(2) 2_556 ?
O4 O3 0.89(3) 2_556 ?
O4 Yb1 1.87(3) 2_556 ?
O3 O4 0.89(3) 2_556 ?
O3 Yb1 2.79(3) 2_556 ?
O1W O1W 0.98(8) 7_547 ?
O2W O2W 1.2(3) 5_557 ?
