#------------------------------------------------------------------------------
#$Date: 2016-03-26 02:35:20 +0200 (Sat, 26 Mar 2016) $
#$Revision: 180146 $
#$URL: svn://www.crystallography.net/cod/cif/7/10/43/7104396.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_7104396
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 Lu N6 O6 Re6 S8'
_chemical_formula_weight         1813.87
_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                 121.784(3)
_cell_angle_gamma                90.00
_cell_formula_units_Z            4
_cell_length_a                   20.2069(16)
_cell_length_b                   12.5260(16)
_cell_length_c                   12.4548(12)
_cell_measurement_reflns_used    3314
_cell_measurement_temperature    170(2)
_cell_measurement_theta_max      28.33
_cell_measurement_theta_min      2.31
_cell_volume                     2679.7(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 0.943
_diffrn_measured_fraction_theta_max 0.943
_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  0.0372
_diffrn_reflns_av_sigmaI/netI    0.0462
_diffrn_reflns_limit_h_max       26
_diffrn_reflns_limit_h_min       -22
_diffrn_reflns_limit_k_max       16
_diffrn_reflns_limit_k_min       -10
_diffrn_reflns_limit_l_max       16
_diffrn_reflns_limit_l_min       -16
_diffrn_reflns_number            8143
_diffrn_reflns_theta_full        28.30
_diffrn_reflns_theta_max         28.30
_diffrn_reflns_theta_min         2.01
_diffrn_standards_decay_%        0
_diffrn_standards_number         0
_exptl_absorpt_coefficient_mu    31.294
_exptl_absorpt_correction_T_max  0.3675
_exptl_absorpt_correction_T_min  0.1886
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   'SADABS (Bruker, 2004)'
_exptl_crystal_colour            orange
_exptl_crystal_density_diffrn    4.496
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       prism
_exptl_crystal_F_000             3152
_exptl_crystal_size_max          0.08
_exptl_crystal_size_mid          0.06
_exptl_crystal_size_min          0.04
_refine_diff_density_max         3.697
_refine_diff_density_min         -4.562
_refine_diff_density_rms         0.667
_refine_ls_extinction_coef       0
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.376
_refine_ls_hydrogen_treatment    none
_refine_ls_matrix_type           full
_refine_ls_number_parameters     182
_refine_ls_number_reflns         3145
_refine_ls_number_restraints     48
_refine_ls_restrained_S_all      1.366
_refine_ls_R_factor_all          0.0827
_refine_ls_R_factor_gt           0.0780
_refine_ls_shift/su_max          0.009
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'calc w=1/[σ²(Fo²)+(0.0000P)²+1183.3381P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1774
_refine_ls_wR_factor_ref         0.1789
_reflns_number_gt                2908
_reflns_number_total             3145
_reflns_threshold_expression     >2σ(I)
_cod_data_source_file            b820722d.txt
_cod_data_source_block           tm24_2_fin
_cod_original_sg_symbol_H-M      'C 2/c'
_cod_database_code               7104396
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 0.19525(6) 0.12429(9) 0.93835(10) 0.0122(3) Uani 1 1 d . . .
Re2 Re 0.19810(6) 0.27712(9) 1.08177(10) 0.0107(3) Uani 1 1 d . . .
Re3 Re 0.17383(6) 0.32058(9) 0.85918(10) 0.0118(3) Uani 1 1 d . . .
Lu1 Lu 0.0075(2) -0.23383(19) 0.7773(2) 0.0146(7) Uani 0.50 1 d P . .
S1 S 0.2222(4) 0.0933(6) 1.1476(6) 0.0144(13) Uani 1 1 d . . .
S2 S 0.1826(4) 0.4573(6) 1.0039(7) 0.0184(14) Uani 1 1 d . . .
S3 S 0.1780(4) 0.1733(6) 0.7399(6) 0.0161(13) Uani 1 1 d . . .
S4 S 0.0819(4) 0.2250(6) 0.8901(7) 0.0160(13) Uani 1 1 d . . .
N1 N 0.0853(18) -0.088(3) 0.814(3) 0.037(7) Uani 1 1 d . . .
N2 N 0.0953(17) 0.296(3) 1.213(3) 0.031(7) Uani 1 1 d U . .
N3 N 0.0453(15) 0.440(3) 0.603(3) 0.029(6) Uani 1 1 d . . .
C1 C 0.1267(17) -0.016(2) 0.861(3) 0.016(6) Uani 1 1 d . . .
C2 C 0.1360(16) 0.300(2) 1.173(3) 0.018(6) Uani 1 1 d U . .
C3 C 0.0912(17) 0.398(2) 0.694(3) 0.018(6) Uani 1 1 d . . .
O1 O 0.014(3) -0.415(4) 0.795(4) 0.025(10) Uani 0.50 1 d PU . .
O2 O 0.009(4) -0.151(5) 0.951(6) 0.051(15) Uani 0.50 1 d PU . .
O4 O -0.073(3) -0.271(4) 0.566(4) 0.026(10) Uani 0.50 1 d PU . .
O3 O 0.133(2) -0.269(3) 0.967(3) 0.010(7) Uani 0.50 1 d PU . .
O1W O 0.236(5) -0.281(6) 1.024(8) 0.07(2) Uani 0.50 1 d PU . .
O2W O 0.002(5) -0.041(6) 1.007(8) 0.07(2) Uani 0.50 1 d PU . .
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'
Lu Lu -0.4720 5.8584 '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 S3 92.1(7) . . ?
C1 Re1 S1 94.7(7) . . ?
S3 Re1 S1 173.2(2) . . ?
C1 Re1 S4 90.7(8) . . ?
S3 Re1 S4 90.3(2) . . ?
S1 Re1 S4 89.9(2) . . ?
C1 Re1 S2 96.1(8) . 7_557 ?
S3 Re1 S2 89.2(3) . 7_557 ?
S1 Re1 S2 89.8(2) . 7_557 ?
S4 Re1 S2 173.2(3) . 7_557 ?
C1 Re1 Re2 133.9(7) . . ?
S3 Re1 Re2 117.42(18) . . ?
S1 Re1 Re2 57.45(17) . . ?
S4 Re1 Re2 57.11(18) . . ?
S2 Re1 Re2 117.39(19) 7_557 . ?
C1 Re1 Re3 132.0(8) . . ?
S3 Re1 Re3 57.29(18) . . ?
S1 Re1 Re3 117.58(18) . . ?
S4 Re1 Re3 57.38(17) . . ?
S2 Re1 Re3 117.07(18) 7_557 . ?
Re2 Re1 Re3 60.18(4) . . ?
C1 Re1 Re2 136.1(7) . 7_557 ?
S3 Re1 Re2 57.05(17) . 7_557 ?
S1 Re1 Re2 117.07(17) . 7_557 ?
S4 Re1 Re2 117.09(17) . 7_557 ?
S2 Re1 Re2 57.32(17) 7_557 7_557 ?
Re2 Re1 Re2 89.83(5) . 7_557 ?
Re3 Re1 Re2 59.77(4) . 7_557 ?
C1 Re1 Re3 138.1(8) . 7_557 ?
S3 Re1 Re3 116.96(18) . 7_557 ?
S1 Re1 Re3 57.16(17) . 7_557 ?
S4 Re1 Re3 116.84(18) . 7_557 ?
S2 Re1 Re3 57.67(19) 7_557 7_557 ?
Re2 Re1 Re3 59.77(4) . 7_557 ?
Re3 Re1 Re3 89.87(5) . 7_557 ?
Re2 Re1 Re3 59.94(4) 7_557 7_557 ?
C2 Re2 S3 95.4(8) . 7_557 ?
C2 Re2 S4 91.4(8) . . ?
S3 Re2 S4 173.2(2) 7_557 . ?
C2 Re2 S1 90.9(9) . . ?
S3 Re2 S1 90.4(2) 7_557 . ?
S4 Re2 S1 89.7(2) . . ?
C2 Re2 S2 95.9(9) . . ?
S3 Re2 S2 88.9(3) 7_557 . ?
S4 Re2 S2 90.2(3) . . ?
S1 Re2 S2 173.2(2) . . ?
C2 Re2 Re3 134.3(8) . 7_557 ?
S3 Re2 Re3 57.30(17) 7_557 7_557 ?
S4 Re2 Re3 117.49(18) . 7_557 ?
S1 Re2 Re3 57.26(16) . 7_557 ?
S2 Re2 Re3 117.05(17) . 7_557 ?
C2 Re2 Re1 131.6(8) . . ?
S3 Re2 Re1 117.56(18) 7_557 . ?
S4 Re2 Re1 57.20(18) . . ?
S1 Re2 Re1 57.06(17) . . ?
S2 Re2 Re1 117.54(19) . . ?
Re3 Re2 Re1 60.32(4) 7_557 . ?
C2 Re2 Re3 135.5(8) . . ?
S3 Re2 Re3 116.86(17) 7_557 . ?
S4 Re2 Re3 57.31(17) . . ?
S1 Re2 Re3 116.95(17) . . ?
S2 Re2 Re3 57.65(19) . . ?
Re3 Re2 Re3 90.05(4) 7_557 . ?
Re1 Re2 Re3 59.93(4) . . ?
C2 Re2 Re1 138.2(8) . 7_557 ?
S3 Re2 Re1 56.84(17) 7_557 7_557 ?
S4 Re2 Re1 117.33(17) . 7_557 ?
S1 Re2 Re1 117.16(16) . 7_557 ?
S2 Re2 Re1 57.12(17) . 7_557 ?
Re3 Re2 Re1 59.95(4) 7_557 7_557 ?
Re1 Re2 Re1 90.17(5) . 7_557 ?
Re3 Re2 Re1 60.05(4) . 7_557 ?
C3 Re3 S3 91.0(8) . . ?
C3 Re3 S1 91.0(8) . 7_557 ?
S3 Re3 S1 90.4(2) . 7_557 ?
C3 Re3 S4 96.0(8) . . ?
S3 Re3 S4 89.9(3) . . ?
S1 Re3 S4 173.0(2) 7_557 . ?
C3 Re3 S2 96.4(8) . . ?
S3 Re3 S2 172.6(2) . . ?
S1 Re3 S2 89.2(2) 7_557 . ?
S4 Re3 S2 89.6(3) . . ?
C3 Re3 Re2 131.3(7) . 7_557 ?
S3 Re3 Re2 57.14(17) . 7_557 ?
S1 Re3 Re2 57.44(17) 7_557 7_557 ?
S4 Re3 Re2 117.30(17) . 7_557 ?
S2 Re3 Re2 116.83(17) . 7_557 ?
C3 Re3 Re1 134.5(8) . . ?
S3 Re3 Re1 56.91(17) . . ?
S1 Re3 Re1 117.67(17) 7_557 . ?
S4 Re3 Re1 57.08(17) . . ?
S2 Re3 Re1 116.99(18) . . ?
Re2 Re3 Re1 60.28(4) 7_557 . ?
C3 Re3 Re2 138.7(7) . . ?
S3 Re3 Re2 116.75(17) . . ?
S1 Re3 Re2 116.95(17) 7_557 . ?
S4 Re3 Re2 56.92(18) . . ?
S2 Re3 Re2 57.14(18) . . ?
Re2 Re3 Re2 89.95(4) 7_557 . ?
Re1 Re3 Re2 59.89(4) . . ?
C3 Re3 Re1 135.1(8) . 7_557 ?
S3 Re3 Re1 116.99(17) . 7_557 ?
S1 Re3 Re1 56.97(17) 7_557 7_557 ?
S4 Re3 Re1 116.90(18) . 7_557 ?
S2 Re3 Re1 56.96(17) . 7_557 ?
Re2 Re3 Re1 59.91(4) 7_557 7_557 ?
Re1 Re3 Re1 90.13(5) . 7_557 ?
Re2 Re3 Re1 60.01(4) . 7_557 ?
Lu1 Lu1 O4 158.5(17) 2_556 2_556 ?
Lu1 Lu1 N2 97.8(11) 2_556 5_557 ?
O4 Lu1 N2 91.3(17) 2_556 5_557 ?
Lu1 Lu1 O1 94.6(11) 2_556 . ?
O4 Lu1 O1 70.1(19) 2_556 . ?
N2 Lu1 O1 70.3(14) 5_557 . ?
Lu1 Lu1 N1 96.4(10) 2_556 . ?
O4 Lu1 N1 87.4(17) 2_556 . ?
N2 Lu1 N1 144.0(11) 5_557 . ?
O1 Lu1 N1 141.0(14) . . ?
Lu1 Lu1 O4 16.2(14) 2_556 . ?
O4 Lu1 O4 153(3) 2_556 . ?
N2 Lu1 O4 83.2(14) 5_557 . ?
O1 Lu1 O4 83.1(16) . . ?
N1 Lu1 O4 112.4(15) . . ?
Lu1 Lu1 O2 144.4(17) 2_556 . ?
O4 Lu1 O2 57(2) 2_556 . ?
N2 Lu1 O2 71.2(17) 5_557 . ?
O1 Lu1 O2 111.9(19) . . ?
N1 Lu1 O2 78.1(18) . . ?
O4 Lu1 O2 142.4(19) . . ?
Lu1 Lu1 O1 71.4(10) 2_556 2_556 ?
O4 Lu1 O1 92.9(18) 2_556 2_556 ?
N2 Lu1 O1 73.0(13) 5_557 2_556 ?
O1 Lu1 O1 23(2) . 2_556 ?
N1 Lu1 O1 142.9(14) . 2_556 ?
O4 Lu1 O1 60.1(15) . 2_556 ?
O2 Lu1 O1 131.8(19) . 2_556 ?
Lu1 Lu1 N2 68.5(10) 2_556 6 ?
O4 Lu1 N2 91.9(18) 2_556 6 ?
N2 Lu1 N2 138.9(14) 5_557 6 ?
O1 Lu1 N2 72.4(13) . 6 ?
N1 Lu1 N2 77.1(11) . 6 ?
O4 Lu1 N2 75.8(14) . 6 ?
O2 Lu1 N2 140.9(17) . 6 ?
O1 Lu1 N2 65.9(13) 2_556 6 ?
Lu1 Lu1 N1 69.9(10) 2_556 2_556 ?
O4 Lu1 N1 131.4(18) 2_556 2_556 ?
N2 Lu1 N1 77.3(11) 5_557 2_556 ?
O1 Lu1 N1 141.8(14) . 2_556 ?
N1 Lu1 N1 76.8(16) . 2_556 ?
O4 Lu1 N1 73.2(14) . 2_556 ?
O2 Lu1 N1 74.6(18) . 2_556 ?
O1 Lu1 N1 126.6(13) 2_556 2_556 ?
N2 Lu1 N1 127.3(11) 6 2_556 ?
Lu1 Lu1 O3 140.5(12) 2_556 . ?
O4 Lu1 O3 22.8(17) 2_556 . ?
N2 Lu1 O3 113.6(12) 5_557 . ?
O1 Lu1 O3 75.3(14) . . ?
N1 Lu1 O3 72.5(12) . . ?
O4 Lu1 O3 145.4(14) . . ?
O2 Lu1 O3 71.9(18) . . ?
O1 Lu1 O3 94.6(13) 2_556 . ?
N2 Lu1 O3 72.0(11) 6 . ?
N1 Lu1 O3 138.2(12) 2_556 . ?
Lu1 Lu1 O2 28.9(14) 2_556 2_556 ?
O4 Lu1 O2 146(2) 2_556 2_556 ?
N2 Lu1 O2 122.7(15) 5_557 2_556 ?
O1 Lu1 O2 115.2(17) . 2_556 ?
N1 Lu1 O2 67.6(16) . 2_556 ?
O4 Lu1 O2 45.1(18) . 2_556 ?
O2 Lu1 O2 133(3) . 2_556 ?
O1 Lu1 O2 93.8(17) 2_556 2_556 ?
N2 Lu1 O2 60.9(15) 6 2_556 ?
N1 Lu1 O2 66.9(15) 2_556 2_556 ?
O3 Lu1 O2 123.1(15) . 2_556 ?
Re1 S1 Re3 65.87(17) . 7_557 ?
Re1 S1 Re2 65.49(17) . . ?
Re3 S1 Re2 65.30(17) 7_557 . ?
Re1 S2 Re2 65.55(18) 7_557 . ?
Re1 S2 Re3 65.37(18) 7_557 . ?
Re2 S2 Re3 65.21(19) . . ?
Re1 S3 Re2 66.11(18) . 7_557 ?
Re1 S3 Re3 65.79(18) . . ?
Re2 S3 Re3 65.57(19) 7_557 . ?
Re2 S4 Re1 65.68(17) . . ?
Re2 S4 Re3 65.78(17) . . ?
Re1 S4 Re3 65.55(17) . . ?
C1 N1 Lu1 163(3) . . ?
C1 N1 Lu1 175(3) . 2_556 ?
Lu1 N1 Lu1 13.8(2) . 2_556 ?
C2 N2 Lu1 155(3) . 5_557 ?
C2 N2 Lu1 163(3) . 6_556 ?
Lu1 N2 Lu1 13.7(2) 5_557 6_556 ?
N1 C1 Re1 176(3) . . ?
N2 C2 Re2 168(3) . . ?
N3 C3 Re3 180(3) . . ?
O1 O1 Lu1 85.4(10) 2_556 . ?
O1 O1 Lu1 71.4(10) 2_556 2_556 ?
Lu1 O1 Lu1 14.0(3) . 2_556 ?
O2W O2 Lu1 145(5) . . ?
O2W O2 Lu1 139(5) . 2_556 ?
Lu1 O2 Lu1 6.8(3) . 2_556 ?
O3 O4 Lu1 118(4) 2_556 2_556 ?
O3 O4 Lu1 114(4) 2_556 . ?
Lu1 O4 Lu1 5.3(4) 2_556 . ?
O4 O3 O1W 175(5) 2_556 . ?
O4 O3 Lu1 40(3) 2_556 . ?
O1W O3 Lu1 142(3) . . ?
O1W O1W O3 118(9) 7_547 . ?
O2W O2W O2 144(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 2.12(3) . ?
Re1 S3 2.388(7) . ?
Re1 S1 2.397(7) . ?
Re1 S4 2.397(7) . ?
Re1 S2 2.406(7) 7_557 ?
Re1 Re2 2.5981(15) . ?
Re1 Re3 2.5991(16) . ?
Re1 Re2 2.6078(14) 7_557 ?
Re1 Re3 2.6089(15) 7_557 ?
Re2 C2 2.10(3) . ?
Re2 S3 2.393(7) 7_557 ?
Re2 S4 2.394(7) . ?
Re2 S1 2.407(7) . ?
Re2 S2 2.411(7) . ?
Re2 Re3 2.5943(14) 7_557 ?
Re2 Re3 2.6058(15) . ?
Re2 Re1 2.6078(14) 7_557 ?
Re3 C3 2.08(3) . ?
Re3 S3 2.398(7) . ?
Re3 S1 2.402(7) 7_557 ?
Re3 S4 2.405(7) . ?
Re3 S2 2.425(8) . ?
Re3 Re2 2.5943(14) 7_557 ?
Re3 Re1 2.6089(15) 7_557 ?
Lu1 Lu1 0.581(4) 2_556 ?
Lu1 O4 1.75(5) 2_556 ?
Lu1 N2 2.28(3) 5_557 ?
Lu1 O1 2.28(4) . ?
Lu1 N1 2.30(3) . ?
Lu1 O4 2.30(5) . ?
Lu1 O2 2.39(6) . ?
Lu1 O1 2.39(4) 2_556 ?
Lu1 N2 2.43(3) 6 ?
Lu1 N1 2.43(3) 2_556 ?
Lu1 O3 2.43(4) . ?
Lu1 O2 2.88(6) 2_556 ?
S1 Re3 2.402(7) 7_557 ?
S2 Re1 2.406(7) 7_557 ?
S3 Re2 2.393(7) 7_557 ?
N1 C1 1.16(4) . ?
N1 Lu1 2.43(3) 2_556 ?
N2 C2 1.17(4) . ?
N2 Lu1 2.28(3) 5_557 ?
N2 Lu1 2.43(3) 6_556 ?
N3 C3 1.15(4) . ?
O1 O1 0.95(8) 2_556 ?
O1 Lu1 2.39(4) 2_556 ?
O2 O2W 1.58(10) . ?
O2 Lu1 2.88(6) 2_556 ?
O4 O3 1.06(6) 2_556 ?
O4 Lu1 1.75(5) 2_556 ?
O3 O4 1.06(6) 2_556 ?
O3 O1W 1.81(8) . ?
O1W O1W 1.28(15) 7_547 ?
O2W O2W 1.04(14) 5_557 ?
