# Electronic Supplementary Material (ESI) for Dalton Transactions
# This journal is © The Royal Society of Chemistry 2012


data_global
_journal_name_full               'Dalton Trans.'
_journal_coden_cambridge         0222
_journal_year                    ?
_journal_volume                  ?
_journal_page_first              ?
loop_
_publ_author_name
'Jingyang Niu'
'Suzhi Li'
_publ_contact_author_name        'Jingyang Niu'
_publ_contact_author_email       jyniu@henu.edu.cn

data_q
_database_code_depnum_ccdc_archive 'CCDC 860581'
#TrackingRef '- 860581.cif'

_audit_creation_method           SHELXL-97
_chemical_name_systematic        
;
?
;
_chemical_name_common            ?
_chemical_melting_point          ?
_chemical_formula_moiety         ?
_chemical_formula_sum            'C21 H86 Lu3 N3 Na O90.50 Si W12'
_chemical_formula_weight         4610.93

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'
Lu Lu -0.4720 5.8584 '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'
Na Na 0.0362 0.0249 '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'
Si Si 0.0817 0.0704 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
W W -0.8490 6.8722 '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'

_symmetry_cell_setting           rhombohedral
_symmetry_space_group_name_H-M   R3

loop_
_symmetry_equiv_pos_as_xyz
'x, y, z'
'-y, x-y, z'
'-x+y, -x, z'
'x+2/3, y+1/3, z+1/3'
'-y+2/3, x-y+1/3, z+1/3'
'-x+y+2/3, -x+1/3, z+1/3'
'x+1/3, y+2/3, z+2/3'
'-y+1/3, x-y+2/3, z+2/3'
'-x+y+1/3, -x+2/3, z+2/3'

_cell_length_a                   19.8631(6)
_cell_length_b                   19.8631(6)
_cell_length_c                   20.4550(5)
_cell_angle_alpha                90.00
_cell_angle_beta                 90.00
_cell_angle_gamma                120.00
_cell_volume                     6989.1(3)
_cell_formula_units_Z            3
_cell_measurement_temperature    296(2)
_cell_measurement_reflns_used    4776
_cell_measurement_theta_min      2.32
_cell_measurement_theta_max      28.23

_exptl_crystal_description       block
_exptl_crystal_colour            colorless
_exptl_crystal_size_max          0.17
_exptl_crystal_size_mid          0.13
_exptl_crystal_size_min          0.08
_exptl_crystal_density_meas      ?
_exptl_crystal_density_diffrn    3.287
_exptl_crystal_density_method    'not measured'
_exptl_crystal_F_000             6249
_exptl_absorpt_coefficient_mu    18.033
_exptl_absorpt_correction_type   Multi-scan
_exptl_absorpt_correction_T_min  0.1495
_exptl_absorpt_correction_T_max  0.3264
_exptl_absorpt_process_details   SADABS

_exptl_special_details           
;
?
;

_diffrn_ambient_temperature      296(2)
_diffrn_radiation_wavelength     0.71073
_diffrn_radiation_type           MoK\a
_diffrn_radiation_source         'fine-focus sealed tube'
_diffrn_radiation_monochromator  graphite
_diffrn_measurement_device_type  'CCD area detector'
_diffrn_measurement_method       'phi and omega scans'
_diffrn_detector_area_resol_mean ?
_diffrn_standards_number         ?
_diffrn_standards_interval_count ?
_diffrn_standards_interval_time  ?
_diffrn_standards_decay_%        ?
_diffrn_reflns_number            12263
_diffrn_reflns_av_R_equivalents  0.1426
_diffrn_reflns_av_sigmaI/netI    0.1025
_diffrn_reflns_limit_h_min       -23
_diffrn_reflns_limit_h_max       23
_diffrn_reflns_limit_k_min       -22
_diffrn_reflns_limit_k_max       23
_diffrn_reflns_limit_l_min       -24
_diffrn_reflns_limit_l_max       11
_diffrn_reflns_theta_min         1.55
_diffrn_reflns_theta_max         25.10
_reflns_number_total             4015
_reflns_number_gt                3738
_reflns_threshold_expression     >2sigma(I)

_computing_data_collection       'Bruker SMART'
_computing_cell_refinement       'Bruker SMART'
_computing_data_reduction        'Bruker SAINT'
_computing_structure_solution    'SHELXS-97 (Sheldrick, 1990)'
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 1997)'
_computing_molecular_graphics    'Bruker SHELXTL'
_computing_publication_material  'Bruker SHELXTL'

_refine_special_details          
;
Refinement of F^2^ against ALL reflections. The weighted R-factor wR and
goodness of fit S are based on F^2^, conventional R-factors R are based
on F, with F set to zero for negative F^2^. The threshold expression of
F^2^ > 2sigma(F^2^) is used only for calculating R-factors(gt) etc. and is
not relevant to the choice of reflections for refinement. R-factors based
on F^2^ are statistically about twice as large as those based on F, and R-
factors based on ALL data will be even larger.
The bond distance of C2-C3, C3-C4, and C5-C6 were restrained by DFIX command.
The ADP alerts of O5, O14, O15, O18, O1W, O11W, and C7 atoms were resolved by
ISOR command.
;

_refine_ls_structure_factor_coef Fsqd
_refine_ls_matrix_type           full
_refine_ls_weighting_scheme      calc
_refine_ls_weighting_details     
'calc w=1/[\s^2^(Fo^2^)+(0.0820P)^2^+0.0000P] where P=(Fo^2^+2Fc^2^)/3'
_atom_sites_solution_primary     direct
_atom_sites_solution_secondary   difmap
_atom_sites_solution_hydrogens   geom
_refine_ls_hydrogen_treatment    mixed
_refine_ls_extinction_method     none
_refine_ls_extinction_coef       ?
_refine_ls_abs_structure_details 'Flack H D (1983), Acta Cryst. A39, 876-881'
_refine_ls_abs_structure_Flack   -0.04(3)
_refine_ls_number_reflns         4015
_refine_ls_number_parameters     401
_refine_ls_number_restraints     52
_refine_ls_R_factor_all          0.0565
_refine_ls_R_factor_gt           0.0537
_refine_ls_wR_factor_ref         0.1393
_refine_ls_wR_factor_gt          0.1376
_refine_ls_goodness_of_fit_ref   1.053
_refine_ls_restrained_S_all      1.049
_refine_ls_shift/su_max          0.000
_refine_ls_shift/su_mean         0.000

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
W1 W 0.11976(5) 1.03161(5) 0.27580(5) 0.0214(2) Uani 1 1 d . . .
W2 W 0.15109(6) 0.95396(6) 0.40917(5) 0.0238(3) Uani 1 1 d . . .
W3 W 0.19945(5) 1.14342(6) 0.40766(5) 0.0237(3) Uani 1 1 d . . .
W4 W 0.08025(6) 1.10959(6) 0.55541(5) 0.0259(3) Uani 1 1 d . . .
Lu1 Lu 0.19314(5) 1.01346(5) 0.09499(6) 0.0217(3) Uani 1 1 d . . .
Si1 Si 0.0000 1.0000 0.4112(6) 0.016(2) Uani 1 3 d S . .
Na1 Na 0.0000 1.0000 0.0073(10) 0.041(5) Uani 1 3 d S . .
O1 O 0.1573(9) 1.0387(10) 0.1977(8) 0.027(4) Uani 1 1 d . . .
O2 O 0.0614(9) 1.0843(9) 0.2640(8) 0.022(4) Uani 1 1 d . . .
O3 O 0.1618(8) 0.9737(9) 0.3158(8) 0.020(3) Uani 1 1 d U . .
O4 O 0.1988(10) 1.1256(9) 0.3153(8) 0.025(4) Uani 1 1 d . . .
O5 O 0.0509(9) 0.8638(8) 0.3915(9) 0.022(4) Uani 1 1 d U . .
O6 O 0.2097(11) 0.9163(13) 0.4183(11) 0.041(5) Uani 1 1 d . . .
O7 O 0.1118(9) 0.9493(9) 0.4960(8) 0.020(3) Uani 1 1 d . . .
O8 O 0.2254(10) 1.0634(10) 0.4227(9) 0.029(4) Uani 1 1 d . . .
O9 O 0.2896(10) 1.2227(11) 0.4142(11) 0.038(5) Uani 1 1 d . . .
O10 O 0.1611(9) 1.1290(10) 0.4950(8) 0.025(4) Uani 1 1 d . . .
O11 O 0.1292(11) 1.1791(12) 0.6143(10) 0.042(5) Uani 1 1 d . . .
O12 O 0.0862(9) 1.0234(8) 0.5919(8) 0.018(3) Uani 1 1 d . . .
O13 O 0.0000 1.0000 0.4900(15) 0.021(6) Uani 1 3 d S . .
O14 O 0.0862(9) 1.0247(9) 0.3831(8) 0.022(3) Uani 1 1 d U . .
O15 O 0.2905(11) 0.9252(12) 0.2444(10) 0.039(5) Uani 1 1 d U . .
O16 O 0.2699(10) 0.9943(10) 0.1698(9) 0.031(4) Uani 1 1 d . . .
O17 O 0.1632(10) 1.1105(10) 0.0828(9) 0.030(4) Uani 1 1 d . . .
O18 O 0.0609(10) 0.9424(10) 0.0754(9) 0.028(4) Uani 1 1 d U . .
N1 N 0.1249(11) 0.8922(11) 0.1553(10) 0.022(4) Uani 1 1 d . . .
C1 C 0.0489(13) 0.8446(14) 0.1464(12) 0.021(5) Uani 1 1 d . . .
C2 C 0.0097(17) 0.7773(16) 0.1813(12) 0.039(7) Uani 1 1 d D . .
H2A H -0.0433 0.7455 0.1742 0.047 Uiso 1 1 calc R . .
C3 C 0.0461(11) 0.7544(14) 0.2272(14) 0.038(7) Uani 1 1 d D . .
H3A H 0.0202 0.7079 0.2503 0.045 Uiso 1 1 calc R . .
C4 C 0.1249(11) 0.8076(14) 0.2353(16) 0.036(7) Uani 1 1 d D . .
H4A H 0.1516 0.7972 0.2674 0.044 Uiso 1 1 calc R . .
C5 C 0.1665(11) 0.8753(12) 0.1989(13) 0.028(6) Uani 1 1 d D . .
C6 C 0.2448(11) 0.9335(12) 0.2054(12) 0.026(6) Uani 1 1 d D . .
C7 C 0.1235(14) 1.1384(13) 0.0984(12) 0.022(5) Uani 1 1 d U . .
O1W O 0.3127(10) 1.1238(11) 0.0907(11) 0.037(4) Uani 1 1 d U . .
O2W O 0.2307(15) 0.9376(13) 0.0394(10) 0.049(6) Uani 1 1 d . . .
O3W O 0.1917(11) 1.0335(12) -0.0170(10) 0.037(5) Uani 1 1 d . . .
O4W O -0.0124(13) 0.8963(13) -0.0639(10) 0.050(6) Uani 1 1 d . . .
O5W O 0.6794(16) 0.9213(16) 0.6890(17) 0.081(9) Uani 1 1 d . . .
O6W O 0.7845(13) 0.8021(13) 0.7878(11) 0.049(5) Uani 1 1 d . . .
O7W O 0.6817(17) 0.7993(19) 0.9226(15) 0.091(10) Uani 1 1 d . . .
O8W O 0.7771(14) 0.7020(16) 0.8917(11) 0.062(7) Uani 1 1 d . . .
O9W O 0.9504(16) 0.7521(18) 0.7485(16) 0.084(9) Uani 1 1 d . . .
O10W O 0.8471(12) 0.7853(12) 0.6761(11) 0.044(5) Uani 1 1 d . . .
O11W O 0.748(2) 0.961(2) 0.964(2) 0.043(10) Uani 0.50 1 d PU . .
O12W O 0.034(2) 0.906(3) 0.8018(18) 0.114(13) Uani 1 1 d . . .
O13W O 0.8993(19) 0.669(2) 0.8661(19) 0.097(10) Uani 1 1 d . . .
O14W O 0.0000 0.0000 0.732(3) 0.14(3) Uani 1 3 d S . .

loop_
_atom_site_aniso_label
_atom_site_aniso_U_11
_atom_site_aniso_U_22
_atom_site_aniso_U_33
_atom_site_aniso_U_23
_atom_site_aniso_U_13
_atom_site_aniso_U_12
W1 0.0192(5) 0.0228(5) 0.0221(5) 0.0007(4) 0.0028(4) 0.0104(4)
W2 0.0198(5) 0.0257(5) 0.0300(6) 0.0040(4) 0.0006(4) 0.0144(4)
W3 0.0154(5) 0.0217(5) 0.0297(6) -0.0025(4) -0.0012(4) 0.0061(4)
W4 0.0267(5) 0.0245(5) 0.0235(5) -0.0040(4) -0.0036(4) 0.0106(4)
Lu1 0.0185(5) 0.0215(5) 0.0273(5) 0.0019(4) 0.0021(4) 0.0115(4)
Si1 0.018(3) 0.018(3) 0.014(5) 0.000 0.000 0.0088(14)
Na1 0.040(6) 0.040(6) 0.042(11) 0.000 0.000 0.020(3)
O1 0.022(9) 0.028(9) 0.023(9) -0.002(8) 0.006(8) 0.006(7)
O2 0.018(8) 0.015(8) 0.029(9) -0.001(7) -0.011(7) 0.004(6)
O3 0.009(6) 0.027(7) 0.028(7) 0.004(6) -0.001(5) 0.013(5)
O4 0.027(9) 0.025(8) 0.016(8) -0.005(7) 0.001(7) 0.008(7)
O5 0.021(6) 0.011(6) 0.031(7) 0.001(6) 0.000(6) 0.005(5)
O6 0.033(10) 0.062(14) 0.047(12) 0.006(11) -0.002(10) 0.036(10)
O7 0.020(8) 0.027(8) 0.019(8) 0.003(7) 0.003(7) 0.015(7)
O8 0.027(9) 0.031(9) 0.037(10) 0.001(8) -0.017(8) 0.020(8)
O9 0.019(9) 0.030(10) 0.060(14) -0.006(10) -0.011(9) 0.008(8)
O10 0.024(9) 0.036(9) 0.020(8) 0.006(8) 0.007(7) 0.019(8)
O11 0.027(10) 0.048(12) 0.040(12) -0.013(10) -0.010(9) 0.011(9)
O12 0.024(8) 0.014(7) 0.023(9) -0.009(7) -0.006(7) 0.013(6)
O13 0.018(8) 0.018(8) 0.027(16) 0.000 0.000 0.009(4)
O14 0.023(7) 0.017(6) 0.030(7) -0.012(6) -0.003(6) 0.014(5)
O15 0.037(8) 0.044(8) 0.045(9) 0.014(7) -0.010(7) 0.028(7)
O16 0.025(9) 0.030(9) 0.029(9) 0.005(8) -0.004(8) 0.007(8)
O17 0.024(9) 0.031(9) 0.031(10) -0.008(8) 0.006(8) 0.011(8)
O18 0.024(7) 0.035(7) 0.033(8) 0.005(6) -0.010(6) 0.020(6)
N1 0.023(10) 0.021(10) 0.021(10) -0.013(8) -0.003(9) 0.010(8)
C1 0.016(11) 0.024(12) 0.023(12) 0.003(10) -0.001(10) 0.010(10)
C2 0.050(17) 0.030(14) 0.028(15) -0.005(12) -0.004(14) 0.014(13)
C3 0.016(12) 0.031(14) 0.046(17) 0.002(13) 0.001(12) -0.003(11)
C4 0.016(12) 0.037(15) 0.049(18) 0.010(14) -0.005(12) 0.007(11)
C5 0.026(13) 0.023(12) 0.031(14) 0.005(11) -0.002(12) 0.010(10)
C6 0.040(14) 0.022(12) 0.016(12) -0.009(10) 0.004(11) 0.017(11)
C7 0.029(9) 0.016(8) 0.025(9) -0.002(7) 0.002(7) 0.015(7)
O1W 0.022(7) 0.035(8) 0.045(8) 0.008(7) 0.006(7) 0.007(6)
O2W 0.094(17) 0.068(14) 0.025(10) 0.006(10) 0.010(11) 0.071(14)
O3W 0.036(10) 0.057(12) 0.032(10) 0.003(10) -0.002(9) 0.034(10)
O4W 0.041(11) 0.052(13) 0.038(12) 0.000(11) -0.002(10) 0.009(10)
O5W 0.062(16) 0.062(16) 0.09(2) 0.032(16) 0.009(16) 0.010(14)
O6W 0.049(13) 0.060(14) 0.044(13) -0.002(11) 0.000(11) 0.031(11)
O7W 0.077(19) 0.11(2) 0.066(18) -0.004(18) -0.041(17) 0.030(19)
O8W 0.054(14) 0.080(17) 0.028(11) -0.007(12) -0.007(11) 0.017(13)
O9W 0.072(18) 0.10(2) 0.09(2) -0.037(19) -0.018(17) 0.048(17)
O10W 0.054(13) 0.034(11) 0.040(12) 0.001(10) 0.006(10) 0.018(10)
O11W 0.038(12) 0.044(13) 0.054(14) -0.012(9) 0.002(9) 0.026(9)
O12W 0.12(3) 0.17(4) 0.06(2) -0.01(2) 0.02(2) 0.08(3)
O13W 0.08(2) 0.10(2) 0.10(3) 0.00(2) -0.03(2) 0.040(19)
O14W 0.17(4) 0.17(4) 0.08(5) 0.000 0.000 0.08(2)

_geom_special_details            
;
All esds (except the esd in the dihedral angle between two l.s. planes)
are estimated using the full covariance matrix. The cell esds are taken
into account individually in the estimation of esds in distances, angles
and torsion angles; correlations between esds in cell parameters are only
used when they are defined by crystal symmetry. An approximate (isotropic)
treatment of cell esds is used for estimating esds involving l.s. planes.
;

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
W1 O1 1.739(17) . ?
W1 O2 1.903(16) 3_465 ?
W1 O3 1.911(15) . ?
W1 O4 1.916(16) . ?
W1 O2 1.926(16) . ?
W1 O14 2.278(17) . ?
W2 O6 1.680(17) . ?
W2 O7 1.924(16) . ?
W2 O5 1.932(15) . ?
W2 O3 1.940(17) . ?
W2 O8 1.942(18) . ?
W2 O14 2.393(15) . ?
W3 O9 1.698(18) . ?
W3 O5 1.879(16) 2_675 ?
W3 O10 1.908(16) . ?
W3 O4 1.922(17) . ?
W3 O8 1.925(16) . ?
W3 O14 2.360(15) . ?
W4 O11 1.72(2) . ?
W4 O7 1.882(16) 2_675 ?
W4 O10 1.906(16) . ?
W4 O12 1.926(15) . ?
W4 O12 1.935(14) 2_675 ?
W4 O13 2.366(17) . ?
Lu1 O1W 2.290(18) . ?
Lu1 O2W 2.290(18) . ?
Lu1 O17 2.298(18) . ?
Lu1 O18 2.312(16) . ?
Lu1 O16 2.322(18) . ?
Lu1 O3W 2.33(2) . ?
Lu1 O1 2.351(17) . ?
Lu1 N1 2.43(2) . ?
Si1 O13 1.61(3) . ?
Si1 O14 1.632(16) 3_465 ?
Si1 O14 1.632(16) 2_675 ?
Si1 O14 1.632(16) . ?
Na1 O4W 2.43(3) 3_465 ?
Na1 O4W 2.43(3) . ?
Na1 O4W 2.43(3) 2_675 ?
Na1 O18 2.47(2) 2_675 ?
Na1 O18 2.47(2) 3_465 ?
Na1 O18 2.47(2) . ?
O2 W1 1.903(16) 2_675 ?
O5 W3 1.879(16) 3_465 ?
O7 W4 1.882(16) 3_465 ?
O12 W4 1.935(14) 3_465 ?
O13 W4 2.366(17) 2_675 ?
O13 W4 2.366(17) 3_465 ?
O15 C6 1.28(3) . ?
O16 C6 1.28(3) . ?
O17 C7 1.21(3) . ?
O18 C7 1.25(3) 3_465 ?
N1 C1 1.33(3) . ?
N1 C5 1.37(3) . ?
C1 C2 1.36(4) . ?
C1 C7 1.50(3) 3_465 ?
C2 C3 1.393(10) . ?
C2 H2A 0.9300 . ?
C3 C4 1.392(10) . ?
C3 H3A 0.9300 . ?
C4 C5 1.39(3) . ?
C4 H4A 0.9300 . ?
C5 C6 1.406(10) . ?
C7 O18 1.25(3) 2_675 ?
C7 C1 1.50(3) 2_675 ?

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
O1 W1 O2 98.5(7) . 3_465 ?
O1 W1 O3 98.2(8) . . ?
O2 W1 O3 90.2(6) 3_465 . ?
O1 W1 O4 101.4(7) . . ?
O2 W1 O4 159.7(7) 3_465 . ?
O3 W1 O4 90.8(7) . . ?
O1 W1 O2 101.0(8) . . ?
O2 W1 O2 85.5(9) 3_465 . ?
O3 W1 O2 160.7(7) . . ?
O4 W1 O2 86.9(7) . . ?
O1 W1 O14 172.3(7) . . ?
O2 W1 O14 86.6(7) 3_465 . ?
O3 W1 O14 75.7(6) . . ?
O4 W1 O14 74.1(6) . . ?
O2 W1 O14 85.2(7) . . ?
O6 W2 O7 103.4(9) . . ?
O6 W2 O5 103.3(9) . . ?
O7 W2 O5 85.6(7) . . ?
O6 W2 O3 99.7(8) . . ?
O7 W2 O3 156.9(6) . . ?
O5 W2 O3 87.8(7) . . ?
O6 W2 O8 100.1(9) . . ?
O7 W2 O8 89.2(8) . . ?
O5 W2 O8 156.7(7) . . ?
O3 W2 O8 88.2(7) . . ?
O6 W2 O14 169.3(9) . . ?
O7 W2 O14 84.8(6) . . ?
O5 W2 O14 84.0(6) . . ?
O3 W2 O14 72.5(6) . . ?
O8 W2 O14 72.9(6) . . ?
O9 W3 O5 102.9(8) . 2_675 ?
O9 W3 O10 102.9(9) . . ?
O5 W3 O10 85.7(7) 2_675 . ?
O9 W3 O4 98.9(9) . . ?
O5 W3 O4 88.2(8) 2_675 . ?
O10 W3 O4 158.2(7) . . ?
O9 W3 O8 99.2(8) . . ?
O5 W3 O8 157.9(7) 2_675 . ?
O10 W3 O8 88.8(8) . . ?
O4 W3 O8 89.1(8) . . ?
O9 W3 O14 168.4(8) . . ?
O5 W3 O14 84.3(6) 2_675 . ?
O10 W3 O14 86.5(7) . . ?
O4 W3 O14 72.0(6) . . ?
O8 W3 O14 73.9(6) . . ?
O11 W4 O7 102.3(9) . 2_675 ?
O11 W4 O10 102.2(9) . . ?
O7 W4 O10 86.3(7) 2_675 . ?
O11 W4 O12 100.4(9) . . ?
O7 W4 O12 157.2(6) 2_675 . ?
O10 W4 O12 90.6(7) . . ?
O11 W4 O12 98.8(8) . 2_675 ?
O7 W4 O12 87.9(7) 2_675 2_675 ?
O10 W4 O12 159.0(7) . 2_675 ?
O12 W4 O12 87.0(9) . 2_675 ?
O11 W4 O13 169.9(9) . . ?
O7 W4 O13 83.9(7) 2_675 . ?
O10 W4 O13 86.1(7) . . ?
O12 W4 O13 73.4(6) . . ?
O12 W4 O13 73.2(6) 2_675 . ?
O1W Lu1 O2W 95.0(8) . . ?
O1W Lu1 O17 76.8(6) . . ?
O2W Lu1 O17 143.5(6) . . ?
O1W Lu1 O18 153.5(7) . . ?
O2W Lu1 O18 99.0(8) . . ?
O17 Lu1 O18 78.5(6) . . ?
O1W Lu1 O16 74.4(7) . . ?
O2W Lu1 O16 76.3(7) . . ?
O17 Lu1 O16 132.5(7) . . ?
O18 Lu1 O16 130.8(6) . . ?
O1W Lu1 O3W 83.9(7) . . ?
O2W Lu1 O3W 70.1(7) . . ?
O17 Lu1 O3W 73.7(6) . . ?
O18 Lu1 O3W 80.0(7) . . ?
O16 Lu1 O3W 137.9(6) . . ?
O1W Lu1 O1 96.3(6) . . ?
O2W Lu1 O1 144.8(7) . . ?
O17 Lu1 O1 71.6(6) . . ?
O18 Lu1 O1 85.0(6) . . ?
O16 Lu1 O1 75.0(6) . . ?
O3W Lu1 O1 144.3(6) . . ?
O1W Lu1 N1 140.0(7) . . ?
O2W Lu1 N1 78.7(7) . . ?
O17 Lu1 N1 129.6(6) . . ?
O18 Lu1 N1 65.3(6) . . ?
O16 Lu1 N1 65.8(6) . . ?
O3W Lu1 N1 128.4(7) . . ?
O1 Lu1 N1 71.3(6) . . ?
O13 Si1 O14 110.6(7) . 3_465 ?
O13 Si1 O14 110.6(7) . 2_675 ?
O14 Si1 O14 108.3(8) 3_465 2_675 ?
O13 Si1 O14 110.6(7) . . ?
O14 Si1 O14 108.3(8) 3_465 . ?
O14 Si1 O14 108.3(8) 2_675 . ?
O4W Na1 O4W 87.8(9) 3_465 . ?
O4W Na1 O4W 87.8(9) 3_465 2_675 ?
O4W Na1 O4W 87.8(9) . 2_675 ?
O4W Na1 O18 104.8(6) 3_465 2_675 ?
O4W Na1 O18 161.4(7) . 2_675 ?
O4W Na1 O18 79.1(7) 2_675 2_675 ?
O4W Na1 O18 79.1(7) 3_465 3_465 ?
O4W Na1 O18 104.8(6) . 3_465 ?
O4W Na1 O18 161.4(7) 2_675 3_465 ?
O18 Na1 O18 91.3(8) 2_675 3_465 ?
O4W Na1 O18 161.4(7) 3_465 . ?
O4W Na1 O18 79.1(7) . . ?
O4W Na1 O18 104.8(6) 2_675 . ?
O18 Na1 O18 91.3(8) 2_675 . ?
O18 Na1 O18 91.3(8) 3_465 . ?
W1 O1 Lu1 165.2(9) . . ?
W1 O2 W1 150.0(9) 2_675 . ?
W1 O3 W2 120.4(8) . . ?
W1 O4 W3 121.4(9) . . ?
W3 O5 W2 152.0(10) 3_465 . ?
W4 O7 W2 151.6(9) 3_465 . ?
W3 O8 W2 122.3(8) . . ?
W4 O10 W3 150.5(9) . . ?
W4 O12 W4 122.3(8) . 3_465 ?
Si1 O13 W4 124.4(6) . . ?
Si1 O13 W4 124.4(6) . 2_675 ?
W4 O13 W4 91.2(8) . 2_675 ?
Si1 O13 W4 124.4(6) . 3_465 ?
W4 O13 W4 91.2(8) . 3_465 ?
W4 O13 W4 91.2(8) 2_675 3_465 ?
Si1 O14 W1 126.0(10) . . ?
Si1 O14 W3 123.9(8) . . ?
W1 O14 W3 92.3(6) . . ?
Si1 O14 W2 122.5(9) . . ?
W1 O14 W2 91.3(5) . . ?
W3 O14 W2 90.9(5) . . ?
C6 O16 Lu1 123.5(14) . . ?
C7 O17 Lu1 148.8(17) . . ?
C7 O18 Lu1 125.7(14) 3_465 . ?
C7 O18 Na1 115.2(14) 3_465 . ?
Lu1 O18 Na1 119.0(7) . . ?
C1 N1 C5 122(2) . . ?
C1 N1 Lu1 120.4(16) . . ?
C5 N1 Lu1 117.9(14) . . ?
N1 C1 C2 121(2) . . ?
N1 C1 C7 112(2) . 3_465 ?
C2 C1 C7 127(2) . 3_465 ?
C1 C2 C3 123(3) . . ?
C1 C2 H2A 118.7 . . ?
C3 C2 H2A 118.7 . . ?
C4 C3 C2 114(2) . . ?
C4 C3 H3A 123.2 . . ?
C2 C3 H3A 123.2 . . ?
C5 C4 C3 125(2) . . ?
C5 C4 H4A 117.6 . . ?
C3 C4 H4A 117.6 . . ?
N1 C5 C4 116.5(18) . . ?
N1 C5 C6 115(2) . . ?
C4 C5 C6 129(2) . . ?
O16 C6 O15 120.7(19) . . ?
O16 C6 C5 118(2) . . ?
O15 C6 C5 121(2) . . ?
O17 C7 O18 125(2) . 2_675 ?
O17 C7 C1 119(2) . 2_675 ?
O18 C7 C1 116(2) 2_675 2_675 ?

_diffrn_measured_fraction_theta_max 1.000
_diffrn_reflns_theta_full        25.10
_diffrn_measured_fraction_theta_full 1.000
_refine_diff_density_max         3.021
_refine_diff_density_min         -2.490
_refine_diff_density_rms         0.432