# Electronic Supplementary Material (ESI) for Dalton Transactions
# This journal is © The Royal Society of Chemistry 2013

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#                 Cambridge Crystallographic Data Centre
#                                CCDC 
# 
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# 
#  This CIF contains data from an original supplementary publication
#  deposited with the CCDC, and may include chemical, crystal,
#  experimental, refinement, atomic coordinates,
#  anisotropic displacement parameters and molecular geometry data,
#  as required by the journal to which it was submitted.
#
#  This CIF is provided on the understanding that it is used for bona
#  fide research purposes only. It may contain copyright material
#  of the CCDC or of third parties, and may not be copied or further
#  disseminated in any form, whether machine-readable or not,
#  except for the purpose of generating routine backup copies
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#  data retrieval see:
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#  from this site to visualise CIF-encoded structures and 
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data_Complex1

_audit_creation_method           SHELXL-97
_chemical_name_systematic        
; 
 ? 
;
_chemical_name_common            ?
_chemical_melting_point          ?
_chemical_formula_moiety         'C10 H4 Gd Na O17 '
_chemical_formula_sum            'C10 H4 Gd Na O17'
_chemical_formula_weight         576.37

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'
Gd Gd -0.1653 3.9035 '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'
H H 0.0000 0.0000 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'

_symmetry_cell_setting           Monoclinic
_symmetry_space_group_name_H-M   'P 21/m'

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

_cell_length_a                   6.7742(10)
_cell_length_b                   15.937(3)
_cell_length_c                   8.1168(14)
_cell_angle_alpha                90.00
_cell_angle_beta                 113.160(10)
_cell_angle_gamma                90.00
_cell_volume                     805.7(2)
_cell_formula_units_Z            2
_cell_measurement_temperature    296(2)
_cell_measurement_reflns_used    3215
_cell_measurement_theta_min      2.73
_cell_measurement_theta_max      26.58

_exptl_crystal_description       Block
_exptl_crystal_colour            Yellow
_exptl_crystal_size_max          0.45
_exptl_crystal_size_mid          0.38
_exptl_crystal_size_min          0.27
_exptl_crystal_density_meas      ?
_exptl_crystal_density_diffrn    2.359
_exptl_crystal_density_method    'not measured'
_exptl_crystal_F_000             550
_exptl_absorpt_coefficient_mu    4.241
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_correction_T_min  0.162
_exptl_absorpt_correction_T_max  0.318
_exptl_absorpt_process_details   multi-scan

_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  APEX-II
_diffrn_measurement_method       ?
_diffrn_detector_area_resol_mean ?
_diffrn_standards_number         ?
_diffrn_standards_interval_count ?
_diffrn_standards_interval_time  ?
_diffrn_standards_decay_%        ?
_diffrn_reflns_number            7374
_diffrn_reflns_av_R_equivalents  0.0341
_diffrn_reflns_av_unetI/netI     0.0193
_diffrn_reflns_limit_h_min       -8
_diffrn_reflns_limit_h_max       8
_diffrn_reflns_limit_k_min       -20
_diffrn_reflns_limit_k_max       20
_diffrn_reflns_limit_l_min       -10
_diffrn_reflns_limit_l_max       10
_diffrn_reflns_theta_min         2.56
_diffrn_reflns_theta_max         27.45
_reflns_number_total             1916
_reflns_number_gt                1902
_reflns_threshold_expression     >2sigma(I)

_computing_data_collection       ?
_computing_cell_refinement       ?
_computing_data_reduction        ?
_computing_structure_solution    'SHELXS-97 (Sheldrick, 1990)'
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 1997)'
_computing_molecular_graphics    ?
_computing_publication_material  ?

_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. 
;

_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^)+(0.0200P)^2^+0.8000P] where P=(Fo^2^+2Fc^2^)/3'
_atom_sites_solution_primary     direct
_atom_sites_solution_secondary   difmap
_atom_sites_solution_hydrogens   .
_refine_ls_hydrogen_treatment    constr
_refine_ls_extinction_method     none
_refine_ls_extinction_coef       ?
_refine_ls_number_reflns         1916
_refine_ls_number_parameters     142
_refine_ls_number_restraints     0
_refine_ls_R_factor_all          0.0171
_refine_ls_R_factor_gt           0.0166
_refine_ls_wR_factor_ref         0.0419
_refine_ls_wR_factor_gt          0.0416
_refine_ls_goodness_of_fit_ref   1.099
_refine_ls_restrained_S_all      1.099
_refine_ls_shift/su_max          0.001
_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
Gd1 Gd 0.16132(2) 0.2500 0.539015(19) 0.01342(6) Uani 1 2 d S . .
O5 O 0.2891(3) -0.01764(12) 0.5605(2) 0.0227(4) Uani 1 1 d . . .
O4 O 0.5458(3) -0.13456(12) 0.8497(2) 0.0249(4) Uani 1 1 d . . .
O3 O 0.8787(2) -0.03419(11) 1.1261(2) 0.0182(3) Uani 1 1 d . . .
O2 O 0.8334(2) 0.14002(13) 1.0024(2) 0.0243(4) Uani 1 1 d . . .
O1 O 0.4464(2) 0.15436(13) 0.6891(2) 0.0226(4) Uani 1 1 d . . .
O6 O 0.1142(2) 0.12313(12) 0.3552(2) 0.0208(4) Uani 1 1 d . . .
H6 H 0.0304 0.1330 0.2523 0.031 Uiso 1 1 calc R . .
O10 O 0.4195(4) 0.2500 0.4009(4) 0.0235(5) Uani 1 2 d S . .
H10 H 0.4044 0.2926 0.3406 0.035 Uiso 0.50 1 calc PR . .
O8 O -0.0652(2) 0.34655(10) 0.6264(2) 0.0150(3) Uani 1 1 d . . .
O9 O 0.2298(4) 0.2500 0.8776(3) 0.0225(5) Uani 1 2 d S . .
O7 O -0.1854(4) 0.2500 0.2935(3) 0.0181(5) Uani 1 2 d S . .
H7 H -0.2161 0.2021 0.2550 0.027 Uiso 0.50 1 calc PR . .
C1 C 0.5244(3) 0.08530(18) 0.7580(3) 0.0204(5) Uani 1 1 d . . .
C5 C 0.4454(3) 0.00115(16) 0.7016(3) 0.0177(4) Uani 1 1 d . . .
C4 C 0.5745(4) -0.05756(18) 0.8462(3) 0.0209(5) Uani 1 1 d . . .
C3 C 0.7450(3) -0.00876(15) 0.9820(3) 0.0150(4) Uani 1 1 d . . .
C2 C 0.7202(4) 0.07829(18) 0.9237(3) 0.0206(5) Uani 1 1 d . . .
Na1 Na 0.77466(18) 0.2500 0.77249(16) 0.0124(2) Uani 1 2 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
Gd1 0.01213(8) 0.00989(9) 0.01595(8) 0.000 0.00305(6) 0.000
O5 0.0229(8) 0.0234(9) 0.0191(8) -0.0034(7) 0.0055(6) -0.0033(7)
O4 0.0301(9) 0.0228(10) 0.0265(9) -0.0003(8) 0.0159(8) 0.0012(7)
O3 0.0126(6) 0.0179(8) 0.0201(8) 0.0117(6) 0.0020(6) 0.0026(6)
O2 0.0148(7) 0.0292(11) 0.0216(8) 0.0005(8) -0.0008(6) -0.0038(7)
O1 0.0140(7) 0.0369(11) 0.0153(8) -0.0068(7) 0.0043(6) 0.0047(7)
O6 0.0161(7) 0.0261(9) 0.0154(7) -0.0060(7) 0.0011(6) -0.0023(7)
O10 0.0312(13) 0.0093(11) 0.0314(14) 0.000 0.0140(11) 0.000
O8 0.0187(7) 0.0101(7) 0.0165(7) 0.0017(6) 0.0072(6) 0.0005(6)
O9 0.0250(11) 0.0150(12) 0.0220(12) 0.000 0.0031(9) 0.000
O7 0.0182(10) 0.0213(13) 0.0155(11) 0.000 0.0071(9) 0.000
C1 0.0130(9) 0.0333(14) 0.0129(10) -0.0003(10) 0.0029(8) 0.0033(9)
C5 0.0142(9) 0.0222(12) 0.0172(10) 0.0027(9) 0.0064(8) 0.0043(9)
C4 0.0198(10) 0.0300(13) 0.0143(10) 0.0038(10) 0.0083(8) 0.0065(10)
C3 0.0143(8) 0.0172(11) 0.0139(9) 0.0049(9) 0.0060(8) 0.0026(8)
C2 0.0162(10) 0.0313(15) 0.0117(9) 0.0005(9) 0.0028(8) 0.0004(9)
Na1 0.0132(5) 0.0111(6) 0.0135(5) 0.000 0.0059(4) 0.000

_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
Gd1 O1 2.3845(18) 4_565 ?
Gd1 O1 2.3845(18) . ?
Gd1 O7 2.410(2) . ?
Gd1 O10 2.420(3) . ?
Gd1 O6 2.4577(18) . ?
Gd1 O6 2.4577(18) 4_565 ?
Gd1 O8 2.4662(16) 4_565 ?
Gd1 O8 2.4662(16) . ?
Gd1 O9 2.601(3) . ?
Gd1 Na1 3.7890(13) 1_455 ?
Gd1 Na1 3.8289(13) . ?
O5 C5 1.252(3) . ?
O4 C4 1.245(3) . ?
O3 C3 1.233(3) . ?
O2 C2 1.256(3) . ?
O2 Na1 2.475(2) . ?
O1 C1 1.253(3) . ?
O1 Na1 2.558(2) . ?
O6 H6 0.8200 . ?
O10 H10 0.8200 . ?
O8 Na1 2.4416(18) 1_455 ?
O9 Na1 2.857(3) 1_455 ?
O7 H7 0.8200 . ?
C1 C5 1.450(4) . ?
C1 C2 1.475(3) . ?
C1 Na1 3.102(3) . ?
C5 C4 1.487(3) . ?
C4 C3 1.467(3) . ?
C3 C2 1.454(4) . ?
C2 Na1 3.080(3) . ?
Na1 O8 2.4416(18) 1_655 ?
Na1 O8 2.4416(18) 4_665 ?
Na1 O2 2.475(2) 4_565 ?
Na1 O1 2.558(2) 4_565 ?
Na1 O9 2.857(3) 1_655 ?
Na1 C2 3.080(3) 4_565 ?
Na1 C1 3.102(3) 4_565 ?
Na1 Gd1 3.7890(12) 1_655 ?

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 Gd1 O1 79.47(9) 4_565 . ?
O1 Gd1 O7 138.82(5) 4_565 . ?
O1 Gd1 O7 138.82(5) . . ?
O1 Gd1 O10 69.46(6) 4_565 . ?
O1 Gd1 O10 69.46(6) . . ?
O7 Gd1 O10 105.29(9) . . ?
O1 Gd1 O6 136.19(6) 4_565 . ?
O1 Gd1 O6 70.72(6) . . ?
O7 Gd1 O6 69.29(5) . . ?
O10 Gd1 O6 70.36(5) . . ?
O1 Gd1 O6 70.72(6) 4_565 4_565 ?
O1 Gd1 O6 136.19(6) . 4_565 ?
O7 Gd1 O6 69.29(5) . 4_565 ?
O10 Gd1 O6 70.36(5) . 4_565 ?
O6 Gd1 O6 110.70(9) . 4_565 ?
O1 Gd1 O8 136.25(5) 4_565 4_565 ?
O1 Gd1 O8 85.69(6) . 4_565 ?
O7 Gd1 O8 73.96(6) . 4_565 ?
O10 Gd1 O8 141.08(4) . 4_565 ?
O6 Gd1 O8 73.41(6) . 4_565 ?
O6 Gd1 O8 137.81(5) 4_565 4_565 ?
O1 Gd1 O8 85.69(6) 4_565 . ?
O1 Gd1 O8 136.25(5) . . ?
O7 Gd1 O8 73.96(6) . . ?
O10 Gd1 O8 141.08(4) . . ?
O6 Gd1 O8 137.81(5) . . ?
O6 Gd1 O8 73.41(6) 4_565 . ?
O8 Gd1 O8 77.20(7) 4_565 . ?
O1 Gd1 O9 71.84(6) 4_565 . ?
O1 Gd1 O9 71.84(6) . . ?
O7 Gd1 O9 125.78(8) . . ?
O10 Gd1 O9 128.93(8) . . ?
O6 Gd1 O9 124.61(4) . . ?
O6 Gd1 O9 124.61(4) 4_565 . ?
O8 Gd1 O9 64.44(5) 4_565 . ?
O8 Gd1 O9 64.44(5) . . ?
O1 Gd1 Na1 108.96(4) 4_565 1_455 ?
O1 Gd1 Na1 108.96(4) . 1_455 ?
O7 Gd1 Na1 76.88(6) . 1_455 ?
O10 Gd1 Na1 177.83(7) . 1_455 ?
O6 Gd1 Na1 110.69(4) . 1_455 ?
O6 Gd1 Na1 110.69(4) 4_565 1_455 ?
O8 Gd1 Na1 39.23(4) 4_565 1_455 ?
O8 Gd1 Na1 39.23(4) . 1_455 ?
O9 Gd1 Na1 48.90(6) . 1_455 ?
O1 Gd1 Na1 40.89(5) 4_565 . ?
O1 Gd1 Na1 40.89(5) . . ?
O7 Gd1 Na1 157.57(6) . . ?
O10 Gd1 Na1 52.28(7) . . ?
O6 Gd1 Na1 99.03(4) . . ?
O6 Gd1 Na1 99.03(4) 4_565 . ?
O8 Gd1 Na1 122.30(4) 4_565 . ?
O8 Gd1 Na1 122.30(4) . . ?
O9 Gd1 Na1 76.65(6) . . ?
Na1 Gd1 Na1 125.56(3) 1_455 . ?
C2 O2 Na1 106.65(15) . . ?
C1 O1 Gd1 154.68(16) . . ?
C1 O1 Na1 103.59(13) . . ?
Gd1 O1 Na1 101.50(8) . . ?
Gd1 O6 H6 109.5 . . ?
Gd1 O10 H10 109.5 . . ?
Na1 O8 Gd1 101.07(6) 1_455 . ?
Gd1 O9 Na1 87.79(7) . 1_455 ?
Gd1 O7 H7 109.5 . . ?
O1 C1 C5 129.24(19) . . ?
O1 C1 C2 122.9(2) . . ?
C5 C1 C2 107.8(2) . . ?
O1 C1 Na1 53.28(13) . . ?
C5 C1 Na1 157.39(16) . . ?
C2 C1 Na1 75.39(15) . . ?
O5 C5 C1 125.8(2) . . ?
O5 C5 C4 126.5(2) . . ?
C1 C5 C4 107.7(2) . . ?
O4 C4 C3 126.1(2) . . ?
O4 C4 C5 126.2(2) . . ?
C3 C4 C5 107.7(2) . . ?
O3 C3 C2 124.8(2) . . ?
O3 C3 C4 127.3(2) . . ?
C2 C3 C4 107.77(19) . . ?
O2 C2 C3 127.8(2) . . ?
O2 C2 C1 123.6(2) . . ?
C3 C2 C1 108.4(2) . . ?
O2 C2 Na1 50.35(13) . . ?
C3 C2 Na1 163.87(16) . . ?
C1 C2 Na1 76.99(15) . . ?
O8 Na1 O8 78.13(8) 1_655 4_665 ?
O8 Na1 O2 87.10(6) 1_655 4_565 ?
O8 Na1 O2 147.32(7) 4_665 4_565 ?
O8 Na1 O2 147.32(7) 1_655 . ?
O8 Na1 O2 87.10(6) 4_665 . ?
O2 Na1 O2 90.15(10) 4_565 . ?
O8 Na1 O1 138.86(7) 1_655 . ?
O8 Na1 O1 90.11(6) 4_665 . ?
O2 Na1 O1 119.13(7) 4_565 . ?
O2 Na1 O1 69.08(6) . . ?
O8 Na1 O1 90.11(6) 1_655 4_565 ?
O8 Na1 O1 138.86(7) 4_665 4_565 ?
O2 Na1 O1 69.08(6) 4_565 4_565 ?
O2 Na1 O1 119.13(7) . 4_565 ?
O1 Na1 O1 73.16(9) . 4_565 ?
O8 Na1 O9 60.77(6) 1_655 1_655 ?
O8 Na1 O9 60.77(6) 4_665 1_655 ?
O2 Na1 O9 86.57(6) 4_565 1_655 ?
O2 Na1 O9 86.57(6) . 1_655 ?
O1 Na1 O9 143.39(4) . 1_655 ?
O1 Na1 O9 143.39(4) 4_565 1_655 ?
O8 Na1 C2 77.26(6) 1_655 4_565 ?
O8 Na1 C2 154.04(7) 4_665 4_565 ?
O2 Na1 C2 23.00(6) 4_565 4_565 ?
O2 Na1 C2 109.73(8) . 4_565 ?
O1 Na1 C2 114.01(7) . 4_565 ?
O1 Na1 C2 49.32(6) 4_565 4_565 ?
O9 Na1 C2 99.52(5) 1_655 4_565 ?
O8 Na1 C2 154.04(7) 1_655 . ?
O8 Na1 C2 77.26(6) 4_665 . ?
O2 Na1 C2 109.73(8) 4_565 . ?
O2 Na1 C2 23.00(6) . . ?
O1 Na1 C2 49.32(6) . . ?
O1 Na1 C2 114.01(7) 4_565 . ?
O9 Na1 C2 99.52(5) 1_655 . ?
C2 Na1 C2 125.34(10) 4_565 . ?
O8 Na1 C1 148.82(7) 1_655 . ?
O8 Na1 C1 77.81(6) 4_665 . ?
O2 Na1 C1 123.45(8) 4_565 . ?
O2 Na1 C1 49.67(6) . . ?
O1 Na1 C1 23.13(6) . . ?
O1 Na1 C1 95.11(7) 4_565 . ?
O9 Na1 C1 121.38(5) 1_655 . ?
C2 Na1 C1 128.14(7) 4_565 . ?
C2 Na1 C1 27.61(5) . . ?
O8 Na1 C1 77.81(6) 1_655 4_565 ?
O8 Na1 C1 148.82(7) 4_665 4_565 ?
O2 Na1 C1 49.67(6) 4_565 4_565 ?
O2 Na1 C1 123.45(8) . 4_565 ?
O1 Na1 C1 95.11(7) . 4_565 ?
O1 Na1 C1 23.13(6) 4_565 4_565 ?
O9 Na1 C1 121.38(5) 1_655 4_565 ?
C2 Na1 C1 27.61(5) 4_565 4_565 ?
C2 Na1 C1 128.14(7) . 4_565 ?
C1 Na1 C1 115.62(9) . 4_565 ?
O8 Na1 Gd1 39.70(4) 1_655 1_655 ?
O8 Na1 Gd1 39.70(4) 4_665 1_655 ?
O2 Na1 Gd1 116.05(5) 4_565 1_655 ?
O2 Na1 Gd1 116.05(5) . 1_655 ?
O1 Na1 Gd1 124.59(5) . 1_655 ?
O1 Na1 Gd1 124.59(5) 4_565 1_655 ?
O9 Na1 Gd1 43.31(6) 1_655 1_655 ?
C2 Na1 Gd1 114.46(5) 4_565 1_655 ?
C2 Na1 Gd1 114.46(5) . 1_655 ?
C1 Na1 Gd1 117.13(5) . 1_655 ?
C1 Na1 Gd1 117.13(5) 4_565 1_655 ?

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_2
_geom_torsion_site_symmetry_3
_geom_torsion_site_symmetry_4
_geom_torsion_publ_flag
O1 Gd1 O1 C1 155.9(3) 4_565 . . . ?
O7 Gd1 O1 C1 -42.3(4) . . . . ?
O10 Gd1 O1 C1 -132.3(4) . . . . ?
O6 Gd1 O1 C1 -56.7(3) . . . . ?
O6 Gd1 O1 C1 -156.9(3) 4_565 . . . ?
O8 Gd1 O1 C1 17.2(3) 4_565 . . . ?
O8 Gd1 O1 C1 83.6(4) . . . . ?
O9 Gd1 O1 C1 81.7(3) . . . . ?
Na1 Gd1 O1 C1 49.3(4) 1_455 . . . ?
Na1 Gd1 O1 C1 172.2(4) . . . . ?
O1 Gd1 O1 Na1 -16.27(8) 4_565 . . . ?
O7 Gd1 O1 Na1 145.54(9) . . . . ?
O10 Gd1 O1 Na1 55.58(7) . . . . ?
O6 Gd1 O1 Na1 131.14(8) . . . . ?
O6 Gd1 O1 Na1 30.98(10) 4_565 . . . ?
O8 Gd1 O1 Na1 -154.94(6) 4_565 . . . ?
O8 Gd1 O1 Na1 -88.52(9) . . . . ?
O9 Gd1 O1 Na1 -90.45(7) . . . . ?
Na1 Gd1 O1 Na1 -122.86(5) 1_455 . . . ?
O1 Gd1 O8 Na1 -127.41(7) 4_565 . . 1_455 ?
O1 Gd1 O8 Na1 -57.53(10) . . . 1_455 ?
O7 Gd1 O8 Na1 88.78(6) . . . 1_455 ?
O10 Gd1 O8 Na1 -176.60(11) . . . 1_455 ?
O6 Gd1 O8 Na1 58.69(10) . . . 1_455 ?
O6 Gd1 O8 Na1 161.43(7) 4_565 . . 1_455 ?
O8 Gd1 O8 Na1 12.05(7) 4_565 . . 1_455 ?
O9 Gd1 O8 Na1 -55.50(6) . . . 1_455 ?
Na1 Gd1 O8 Na1 -108.26(6) . . . 1_455 ?
O1 Gd1 O9 Na1 137.72(5) 4_565 . . 1_455 ?
O1 Gd1 O9 Na1 -137.72(5) . . . 1_455 ?
O7 Gd1 O9 Na1 0.0 . . . 1_455 ?
O10 Gd1 O9 Na1 180.0 . . . 1_455 ?
O6 Gd1 O9 Na1 -88.15(6) . . . 1_455 ?
O6 Gd1 O9 Na1 88.15(6) 4_565 . . 1_455 ?
O8 Gd1 O9 Na1 -43.76(4) 4_565 . . 1_455 ?
O8 Gd1 O9 Na1 43.76(4) . . . 1_455 ?
Na1 Gd1 O9 Na1 180.0 . . . 1_455 ?
Gd1 O1 C1 C5 36.5(5) . . . . ?
Na1 O1 C1 C5 -151.4(2) . . . . ?
Gd1 O1 C1 C2 -141.2(3) . . . . ?
Na1 O1 C1 C2 30.9(2) . . . . ?
Gd1 O1 C1 Na1 -172.1(4) . . . . ?
O1 C1 C5 O5 6.5(4) . . . . ?
C2 C1 C5 O5 -175.6(2) . . . . ?
Na1 C1 C5 O5 -80.9(4) . . . . ?
O1 C1 C5 C4 -170.1(2) . . . . ?
C2 C1 C5 C4 7.9(2) . . . . ?
Na1 C1 C5 C4 102.6(4) . . . . ?
O5 C5 C4 O4 -0.5(4) . . . . ?
C1 C5 C4 O4 176.0(2) . . . . ?
O5 C5 C4 C3 178.1(2) . . . . ?
C1 C5 C4 C3 -5.3(2) . . . . ?
O4 C4 C3 O3 -5.0(4) . . . . ?
C5 C4 C3 O3 176.4(2) . . . . ?
O4 C4 C3 C2 179.3(2) . . . . ?
C5 C4 C3 C2 0.7(2) . . . . ?
Na1 O2 C2 C3 159.4(2) . . . . ?
Na1 O2 C2 C1 -25.5(3) . . . . ?
O3 C3 C2 O2 4.0(4) . . . . ?
C4 C3 C2 O2 179.8(2) . . . . ?
O3 C3 C2 C1 -171.7(2) . . . . ?
C4 C3 C2 C1 4.2(2) . . . . ?
O3 C3 C2 Na1 80.9(6) . . . . ?
C4 C3 C2 Na1 -103.2(5) . . . . ?
O1 C1 C2 O2 -5.3(4) . . . . ?
C5 C1 C2 O2 176.6(2) . . . . ?
Na1 C1 C2 O2 19.9(2) . . . . ?
O1 C1 C2 C3 170.6(2) . . . . ?
C5 C1 C2 C3 -7.5(2) . . . . ?
Na1 C1 C2 C3 -164.21(17) . . . . ?
O1 C1 C2 Na1 -25.2(2) . . . . ?
C5 C1 C2 Na1 156.67(17) . . . . ?
C2 O2 Na1 O8 -126.11(16) . . . 1_655 ?
C2 O2 Na1 O8 -63.53(16) . . . 4_665 ?
C2 O2 Na1 O2 149.04(13) . . . 4_565 ?
C2 O2 Na1 O1 27.70(15) . . . . ?
C2 O2 Na1 O1 83.08(17) . . . 4_565 ?
C2 O2 Na1 O9 -124.40(16) . . . 1_655 ?
C2 O2 Na1 C2 136.71(18) . . . 4_565 ?
C2 O2 Na1 C1 12.92(14) . . . . ?
C2 O2 Na1 C1 109.75(16) . . . 4_565 ?
C2 O2 Na1 Gd1 -91.61(15) . . . 1_655 ?
C1 O1 Na1 O8 129.09(14) . . . 1_655 ?
Gd1 O1 Na1 O8 -54.35(11) . . . 1_655 ?
C1 O1 Na1 O8 57.18(14) . . . 4_665 ?
Gd1 O1 Na1 O8 -126.27(6) . . . 4_665 ?
C1 O1 Na1 O2 -107.56(15) . . . 4_565 ?
Gd1 O1 Na1 O2 68.99(9) . . . 4_565 ?
C1 O1 Na1 O2 -29.67(14) . . . . ?
Gd1 O1 Na1 O2 146.88(8) . . . . ?
C1 O1 Na1 O1 -160.99(12) . . . 4_565 ?
Gd1 O1 Na1 O1 15.57(8) . . . 4_565 ?
C1 O1 Na1 O9 21.9(2) . . . 1_655 ?
Gd1 O1 Na1 O9 -161.56(11) . . . 1_655 ?
C1 O1 Na1 C2 -132.69(14) . . . 4_565 ?
Gd1 O1 Na1 C2 43.86(8) . . . 4_565 ?
C1 O1 Na1 C2 -15.81(13) . . . . ?
Gd1 O1 Na1 C2 160.74(9) . . . . ?
Gd1 O1 Na1 C1 176.56(17) . . . . ?
C1 O1 Na1 C1 -153.61(17) . . . 4_565 ?
Gd1 O1 Na1 C1 22.95(7) . . . 4_565 ?
C1 O1 Na1 Gd1 78.24(14) . . . 1_655 ?
Gd1 O1 Na1 Gd1 -105.21(6) . . . 1_655 ?
O2 C2 Na1 O8 94.7(2) . . . 1_655 ?
C3 C2 Na1 O8 4.9(6) . . . 1_655 ?
C1 C2 Na1 O8 -106.85(19) . . . 1_655 ?
O2 C2 Na1 O8 113.56(16) . . . 4_665 ?
C3 C2 Na1 O8 23.7(5) . . . 4_665 ?
C1 C2 Na1 O8 -88.01(13) . . . 4_665 ?
O2 C2 Na1 O2 -33.13(15) . . . 4_565 ?
C3 C2 Na1 O2 -123.0(5) . . . 4_565 ?
C1 C2 Na1 O2 125.30(13) . . . 4_565 ?
C3 C2 Na1 O2 -89.9(6) . . . . ?
C1 C2 Na1 O2 158.4(2) . . . . ?
O2 C2 Na1 O1 -145.07(18) . . . . ?
C3 C2 Na1 O1 125.1(6) . . . . ?
C1 C2 Na1 O1 13.35(12) . . . . ?
O2 C2 Na1 O1 -108.32(16) . . . 4_565 ?
C3 C2 Na1 O1 161.8(5) . . . 4_565 ?
C1 C2 Na1 O1 50.10(15) . . . 4_565 ?
O2 C2 Na1 O9 56.63(16) . . . 1_655 ?
C3 C2 Na1 O9 -33.2(6) . . . 1_655 ?
C1 C2 Na1 O9 -144.95(13) . . . 1_655 ?
O2 C2 Na1 C2 -52.3(2) . . . 4_565 ?
C3 C2 Na1 C2 -142.2(5) . . . 4_565 ?
C1 C2 Na1 C2 106.12(14) . . . 4_565 ?
O2 C2 Na1 C1 -158.4(2) . . . . ?
C3 C2 Na1 C1 111.7(6) . . . . ?
O2 C2 Na1 C1 -86.78(17) . . . 4_565 ?
C3 C2 Na1 C1 -176.7(5) . . . 4_565 ?
C1 C2 Na1 C1 71.64(15) . . . 4_565 ?
O2 C2 Na1 Gd1 99.38(15) . . . 1_655 ?
C3 C2 Na1 Gd1 9.5(6) . . . 1_655 ?
C1 C2 Na1 Gd1 -102.20(13) . . . 1_655 ?
O1 C1 Na1 O8 -80.47(19) . . . 1_655 ?
C5 C1 Na1 O8 24.7(5) . . . 1_655 ?
C2 C1 Na1 O8 126.00(15) . . . 1_655 ?
O1 C1 Na1 O8 -120.72(15) . . . 4_665 ?
C5 C1 Na1 O8 -15.5(4) . . . 4_665 ?
C2 C1 Na1 O8 85.76(13) . . . 4_665 ?
O1 C1 Na1 O2 86.49(15) . . . 4_565 ?
C5 C1 Na1 O2 -168.3(4) . . . 4_565 ?
C2 C1 Na1 O2 -67.04(15) . . . 4_565 ?
O1 C1 Na1 O2 142.66(17) . . . . ?
C5 C1 Na1 O2 -112.2(4) . . . . ?
C2 C1 Na1 O2 -10.87(12) . . . . ?
C5 C1 Na1 O1 105.2(4) . . . . ?
C2 C1 Na1 O1 -153.5(2) . . . . ?
O1 C1 Na1 O1 18.24(12) . . . 4_565 ?
C5 C1 Na1 O1 123.4(4) . . . 4_565 ?
C2 C1 Na1 O1 -135.28(13) . . . 4_565 ?
O1 C1 Na1 O9 -164.91(14) . . . 1_655 ?
C5 C1 Na1 O9 -59.7(4) . . . 1_655 ?
C2 C1 Na1 O9 41.57(16) . . . 1_655 ?
O1 C1 Na1 C2 58.61(16) . . . 4_565 ?
C5 C1 Na1 C2 163.8(4) . . . 4_565 ?
C2 C1 Na1 C2 -94.92(16) . . . 4_565 ?
O1 C1 Na1 C2 153.5(2) . . . . ?
C5 C1 Na1 C2 -101.3(4) . . . . ?
O1 C1 Na1 C1 29.41(18) . . . 4_565 ?
C5 C1 Na1 C1 134.6(4) . . . 4_565 ?
C2 C1 Na1 C1 -124.12(13) . . . 4_565 ?
O1 C1 Na1 Gd1 -115.09(14) . . . 1_655 ?
C5 C1 Na1 Gd1 -9.9(4) . . . 1_655 ?
C2 C1 Na1 Gd1 91.39(13) . . . 1_655 ?

_diffrn_measured_fraction_theta_max 1.000
_diffrn_reflns_theta_full        27.45
_diffrn_measured_fraction_theta_full 1.000
_refine_diff_density_max         0.597
_refine_diff_density_min         -0.670
_refine_diff_density_rms         0.076
_database_code_depnum_ccdc_archive 'CCDC 928544'
#######################################################################
#
#                 Cambridge Crystallographic Data Centre
#                                CCDC 
# 
#######################################################################
# 
#  This CIF contains data from an original supplementary publication
#  deposited with the CCDC, and may include chemical, crystal,
#  experimental, refinement, atomic coordinates,
#  anisotropic displacement parameters and molecular geometry data,
#  as required by the journal to which it was submitted.
#
#  This CIF is provided on the understanding that it is used for bona
#  fide research purposes only. It may contain copyright material
#  of the CCDC or of third parties, and may not be copied or further
#  disseminated in any form, whether machine-readable or not,
#  except for the purpose of generating routine backup copies
#  on your local computer system.
# 
#  For further information on the CCDC, data deposition and
#  data retrieval see:
#                         www.ccdc.cam.ac.uk
#
#  Bona fide researchers may freely download Mercury and enCIFer
#  from this site to visualise CIF-encoded structures and 
#  to carry out CIF format checking respectively.
#
data_Complex2

_audit_creation_method           SHELXL-97
_chemical_name_systematic        
; 
 ? 
;
_chemical_name_common            ?
_chemical_melting_point          ?
_chemical_formula_moiety         'C10 H4 Na Nd O17 '
_chemical_formula_sum            'C10 H4 Na Nd O17'
_chemical_formula_weight         563.36

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'
Na Na 0.0362 0.0249 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Nd Nd -0.1943 3.0179 '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'
H H 0.0000 0.0000 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'

_symmetry_cell_setting           Monoclinic
_symmetry_space_group_name_H-M   'P 21/m'

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

_cell_length_a                   6.8297(9)
_cell_length_b                   16.024(3)
_cell_length_c                   8.1490(13)
_cell_angle_alpha                90.00
_cell_angle_beta                 113.076(9)
_cell_angle_gamma                90.00
_cell_volume                     820.5(2)
_cell_formula_units_Z            2
_cell_measurement_temperature    296(2)
_cell_measurement_reflns_used    1762
_cell_measurement_theta_min      4.12
_cell_measurement_theta_max      28.67

_exptl_crystal_description       Needle
_exptl_crystal_colour            Yellow
_exptl_crystal_size_max          0.42
_exptl_crystal_size_mid          0.36
_exptl_crystal_size_min          0.24
_exptl_crystal_density_meas      ?
_exptl_crystal_density_diffrn    2.264
_exptl_crystal_density_method    'not measured'
_exptl_crystal_F_000             542.0
_exptl_absorpt_coefficient_mu    3.287
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_correction_T_min  0.262
_exptl_absorpt_correction_T_max  0.454
_exptl_absorpt_process_details   multi-scan

_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  APEX-II
_diffrn_measurement_method       ?
_diffrn_detector_area_resol_mean ?
_diffrn_standards_number         ?
_diffrn_standards_interval_count ?
_diffrn_standards_interval_time  ?
_diffrn_standards_decay_%        ?
_diffrn_reflns_number            5366
_diffrn_reflns_av_R_equivalents  0.0229
_diffrn_reflns_av_unetI/netI     0.0296
_diffrn_reflns_limit_h_min       -9
_diffrn_reflns_limit_h_max       8
_diffrn_reflns_limit_k_min       -12
_diffrn_reflns_limit_k_max       21
_diffrn_reflns_limit_l_min       -10
_diffrn_reflns_limit_l_max       10
_diffrn_reflns_theta_min         2.54
_diffrn_reflns_theta_max         28.69
_reflns_number_total             2187
_reflns_number_gt                1993
_reflns_threshold_expression     >2sigma(I)

_computing_data_collection       ?
_computing_cell_refinement       ?
_computing_data_reduction        ?
_computing_structure_solution    'SHELXS-97 (Sheldrick, 1990)'
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 1997)'
_computing_molecular_graphics    ?
_computing_publication_material  ?

_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. 
;

_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^)+(0.1000P)^2^+0.3368P] where P=(Fo^2^+2Fc^2^)/3'
_atom_sites_solution_primary     direct
_atom_sites_solution_secondary   difmap
_atom_sites_solution_hydrogens   .
_refine_ls_hydrogen_treatment    constr
_refine_ls_extinction_method     none
_refine_ls_extinction_coef       ?
_refine_ls_number_reflns         2187
_refine_ls_number_parameters     142
_refine_ls_number_restraints     0
_refine_ls_R_factor_all          0.0346
_refine_ls_R_factor_gt           0.0337
_refine_ls_wR_factor_ref         0.1204
_refine_ls_wR_factor_gt          0.1195
_refine_ls_goodness_of_fit_ref   1.067
_refine_ls_restrained_S_all      1.067
_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
Nd1 Nd 0.33771(4) 0.2500 0.96102(4) 0.00957(15) Uani 1 2 d S . .
O1 O 0.0503(5) 0.15260(19) 0.8092(4) 0.0171(6) Uani 1 1 d . . .
O2 O 0.2034(5) -0.0189(2) 0.9355(4) 0.0193(7) Uani 1 1 d . . .
O4 O -0.3796(5) -0.0349(2) 0.3735(4) 0.0201(7) Uani 1 1 d . . .
O7 O 0.5724(5) 0.34851(19) 0.8739(4) 0.0150(6) Uani 1 1 d . . .
O9 O 0.6866(6) 0.2500 1.2129(6) 0.0151(9) Uani 1 2 d S . .
H9 H 0.6821 0.2195 1.2921 0.023 Uiso 0.50 1 calc PR . .
O6 O 0.2741(7) 0.2500 0.6226(6) 0.0182(9) Uani 1 2 d S . .
O8 O 0.3849(5) 0.3778(2) 1.1459(4) 0.0189(7) Uani 1 1 d . . .
H8 H 0.3198 0.4167 1.0824 0.028 Uiso 1 1 calc R . .
O3 O -0.0486(6) -0.1341(2) 0.6488(5) 0.0200(7) Uani 1 1 d . . .
O5 O -0.3324(5) 0.1392(2) 0.4945(5) 0.0185(7) Uani 1 1 d . . .
O10 O 0.0738(8) 0.2500 1.0997(7) 0.0225(10) Uani 1 2 d S . .
H10 H 0.1022 0.2875 1.1739 0.034 Uiso 0.50 1 calc PR . .
C8 C -0.0797(7) -0.0572(3) 0.6539(6) 0.0148(8) Uani 1 1 d . . .
C7 C 0.0499(6) -0.0001(3) 0.7950(5) 0.0125(8) Uani 1 1 d . . .
C9 C -0.2462(6) -0.0087(3) 0.5150(6) 0.0132(8) Uani 1 1 d . . .
C6 C -0.0270(6) 0.0845(3) 0.7376(6) 0.0123(8) Uani 1 1 d . . .
C10 C -0.2199(6) 0.0788(3) 0.5730(6) 0.0125(8) Uani 1 1 d . . .
Na1 Na 0.7219(4) 0.2500 0.7175(4) 0.0189(5) Uani 1 2 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
Nd1 0.0109(2) 0.0056(2) 0.0108(2) 0.000 0.00287(15) 0.000
O1 0.0190(14) 0.0086(15) 0.0213(17) -0.0023(12) 0.0054(13) -0.0030(12)
O2 0.0200(15) 0.0148(17) 0.0166(16) -0.0003(12) 0.0001(12) 0.0021(12)
O4 0.0172(14) 0.0221(18) 0.0185(17) -0.0081(13) 0.0044(13) -0.0038(13)
O7 0.0166(13) 0.0096(15) 0.0173(15) -0.0002(12) 0.0050(12) -0.0024(11)
O9 0.0139(19) 0.008(2) 0.017(2) 0.000 -0.0010(17) 0.000
O6 0.023(2) 0.012(2) 0.013(2) 0.000 0.0011(18) 0.000
O8 0.0231(16) 0.0105(15) 0.0177(16) -0.0040(12) 0.0023(13) 0.0018(12)
O3 0.0325(18) 0.0060(15) 0.0228(18) -0.0011(12) 0.0122(15) -0.0010(12)
O5 0.0177(15) 0.0137(17) 0.0169(15) -0.0022(14) -0.0009(12) 0.0032(11)
O10 0.035(3) 0.016(3) 0.030(3) 0.000 0.027(2) 0.000
C8 0.0189(18) 0.011(2) 0.017(2) 0.0017(16) 0.0104(17) -0.0006(16)
C7 0.0157(18) 0.011(2) 0.0110(19) -0.0023(15) 0.0056(16) -0.0037(15)
C9 0.0119(17) 0.014(2) 0.014(2) -0.0061(16) 0.0054(16) -0.0056(15)
C6 0.0138(17) 0.010(2) 0.014(2) -0.0013(15) 0.0065(16) -0.0018(14)
C10 0.0147(17) 0.010(2) 0.013(2) -0.0005(15) 0.0066(16) -0.0022(15)
Na1 0.0268(13) 0.0097(13) 0.0249(14) 0.000 0.0152(12) 0.000

_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
Nd1 O1 2.432(3) . ?
Nd1 O1 2.432(3) 4_565 ?
Nd1 O9 2.461(4) . ?
Nd1 O10 2.474(4) . ?
Nd1 O8 2.488(3) . ?
Nd1 O8 2.488(3) 4_565 ?
Nd1 O7 2.541(3) . ?
Nd1 O7 2.541(3) 4_565 ?
Nd1 O6 2.619(5) . ?
Nd1 Na1 3.861(3) . ?
Nd1 Na1 3.884(3) 1_455 ?
O1 C6 1.252(5) . ?
O1 Na1 2.590(4) 1_455 ?
O2 C7 1.249(5) . ?
O4 C9 1.230(5) . ?
O7 Na1 2.486(4) . ?
O9 H9 0.8200 . ?
O6 Na1 2.846(5) . ?
O8 H8 0.8200 . ?
O3 C8 1.254(6) . ?
O5 C10 1.244(6) . ?
O5 Na1 2.463(4) 1_455 ?
O10 H10 0.8200 . ?
C8 C7 1.464(6) . ?
C8 C9 1.473(6) . ?
C7 C6 1.464(6) . ?
C9 C10 1.468(6) . ?
C6 C10 1.469(6) . ?
C6 Na1 3.127(4) 1_455 ?
C10 Na1 3.071(4) 1_455 ?
Na1 O5 2.463(4) 1_655 ?
Na1 O5 2.463(4) 4_665 ?
Na1 O7 2.486(4) 4_565 ?
Na1 O1 2.590(4) 4_665 ?
Na1 O1 2.590(4) 1_655 ?
Na1 C10 3.071(4) 1_655 ?
Na1 C10 3.071(4) 4_665 ?
Na1 C6 3.127(4) 4_665 ?
Na1 C6 3.127(4) 1_655 ?

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 Nd1 O1 79.83(15) . 4_565 ?
O1 Nd1 O9 138.49(8) . . ?
O1 Nd1 O9 138.49(8) 4_565 . ?
O1 Nd1 O10 69.21(12) . . ?
O1 Nd1 O10 69.21(12) 4_565 . ?
O9 Nd1 O10 105.05(17) . . ?
O1 Nd1 O8 136.34(11) . . ?
O1 Nd1 O8 70.54(11) 4_565 . ?
O9 Nd1 O8 69.01(9) . . ?
O10 Nd1 O8 70.62(10) . . ?
O1 Nd1 O8 70.54(11) . 4_565 ?
O1 Nd1 O8 136.34(11) 4_565 4_565 ?
O9 Nd1 O8 69.01(9) . 4_565 ?
O10 Nd1 O8 70.62(10) . 4_565 ?
O8 Nd1 O8 110.86(16) . 4_565 ?
O1 Nd1 O7 136.74(10) . . ?
O1 Nd1 O7 86.04(10) 4_565 . ?
O9 Nd1 O7 73.88(11) . . ?
O10 Nd1 O7 141.24(7) . . ?
O8 Nd1 O7 73.23(11) . . ?
O8 Nd1 O7 137.27(11) 4_565 . ?
O1 Nd1 O7 86.04(10) . 4_565 ?
O1 Nd1 O7 136.74(10) 4_565 4_565 ?
O9 Nd1 O7 73.88(11) . 4_565 ?
O10 Nd1 O7 141.24(7) . 4_565 ?
O8 Nd1 O7 137.27(11) . 4_565 ?
O8 Nd1 O7 73.23(11) 4_565 4_565 ?
O7 Nd1 O7 76.82(14) . 4_565 ?
O1 Nd1 O6 72.34(11) . . ?
O1 Nd1 O6 72.34(11) 4_565 . ?
O9 Nd1 O6 125.80(15) . . ?
O10 Nd1 O6 129.14(17) . . ?
O8 Nd1 O6 124.50(8) . . ?
O8 Nd1 O6 124.50(8) 4_565 . ?
O7 Nd1 O6 64.41(10) . . ?
O7 Nd1 O6 64.41(10) 4_565 . ?
O1 Nd1 Na1 108.32(8) . . ?
O1 Nd1 Na1 108.32(8) 4_565 . ?
O9 Nd1 Na1 78.32(11) . . ?
O10 Nd1 Na1 176.63(14) . . ?
O8 Nd1 Na1 111.00(8) . . ?
O8 Nd1 Na1 111.00(8) 4_565 . ?
O7 Nd1 Na1 39.30(7) . . ?
O7 Nd1 Na1 39.30(7) 4_565 . ?
O6 Nd1 Na1 47.49(11) . . ?
O1 Nd1 Na1 40.86(7) . 1_455 ?
O1 Nd1 Na1 40.86(7) 4_565 1_455 ?
O9 Nd1 Na1 157.94(11) . 1_455 ?
O10 Nd1 Na1 52.88(14) . 1_455 ?
O8 Nd1 Na1 99.59(8) . 1_455 ?
O8 Nd1 Na1 99.59(8) 4_565 1_455 ?
O7 Nd1 Na1 122.18(8) . 1_455 ?
O7 Nd1 Na1 122.18(8) 4_565 1_455 ?
O6 Nd1 Na1 76.26(11) . 1_455 ?
Na1 Nd1 Na1 123.74(7) . 1_455 ?
C6 O1 Nd1 154.8(3) . . ?
C6 O1 Na1 103.4(2) . 1_455 ?
Nd1 O1 Na1 101.24(12) . 1_455 ?
Na1 O7 Nd1 100.35(11) . . ?
Nd1 O9 H9 109.5 . . ?
Nd1 O6 Na1 89.81(14) . . ?
Nd1 O8 H8 109.5 . . ?
C10 O5 Na1 107.3(3) . 1_455 ?
Nd1 O10 H10 109.5 . . ?
O3 C8 C7 125.6(4) . . ?
O3 C8 C9 125.7(4) . . ?
C7 C8 C9 108.7(4) . . ?
O2 C7 C6 125.7(4) . . ?
O2 C7 C8 127.0(4) . . ?
C6 C7 C8 107.3(4) . . ?
O4 C9 C10 125.4(4) . . ?
O4 C9 C8 127.2(4) . . ?
C10 C9 C8 107.3(4) . . ?
O1 C6 C7 128.7(4) . . ?
O1 C6 C10 122.9(4) . . ?
C7 C6 C10 108.4(3) . . ?
O1 C6 Na1 53.7(2) . 1_455 ?
C7 C6 Na1 157.4(3) . 1_455 ?
C10 C6 Na1 74.2(2) . 1_455 ?
O5 C10 C9 127.1(4) . . ?
O5 C10 C6 125.0(4) . . ?
C9 C10 C6 107.8(4) . . ?
O5 C10 Na1 50.0(2) . 1_455 ?
C9 C10 Na1 163.4(3) . 1_455 ?
C6 C10 Na1 78.4(2) . 1_455 ?
O5 Na1 O5 92.3(2) 1_655 4_665 ?
O5 Na1 O7 86.97(12) 1_655 4_565 ?
O5 Na1 O7 149.64(16) 4_665 4_565 ?
O5 Na1 O7 149.64(16) 1_655 . ?
O5 Na1 O7 86.97(12) 4_665 . ?
O7 Na1 O7 78.84(15) 4_565 . ?
O5 Na1 O1 120.68(15) 1_655 4_665 ?
O5 Na1 O1 68.98(11) 4_665 4_665 ?
O7 Na1 O1 135.89(16) 4_565 4_665 ?
O7 Na1 O1 87.30(11) . 4_665 ?
O5 Na1 O1 68.98(11) 1_655 1_655 ?
O5 Na1 O1 120.68(15) 4_665 1_655 ?
O7 Na1 O1 87.30(11) 4_565 1_655 ?
O7 Na1 O1 135.89(16) . 1_655 ?
O1 Na1 O1 74.10(15) 4_665 1_655 ?
O5 Na1 O6 87.96(12) 1_655 . ?
O5 Na1 O6 87.96(12) 4_665 . ?
O7 Na1 O6 61.68(11) 4_565 . ?
O7 Na1 O6 61.68(11) . . ?
O1 Na1 O6 142.67(7) 4_665 . ?
O1 Na1 O6 142.67(7) 1_655 . ?
O5 Na1 C10 22.76(11) 1_655 1_655 ?
O5 Na1 C10 111.44(15) 4_665 1_655 ?
O7 Na1 C10 76.73(10) 4_565 1_655 ?
O7 Na1 C10 154.75(13) . 1_655 ?
O1 Na1 C10 114.91(13) 4_665 1_655 ?
O1 Na1 C10 49.09(10) 1_655 1_655 ?
O6 Na1 C10 100.51(10) . 1_655 ?
O5 Na1 C10 111.44(15) 1_655 4_665 ?
O5 Na1 C10 22.76(11) 4_665 4_665 ?
O7 Na1 C10 154.75(13) 4_565 4_665 ?
O7 Na1 C10 76.73(10) . 4_665 ?
O1 Na1 C10 49.09(10) 4_665 4_665 ?
O1 Na1 C10 114.91(13) 1_655 4_665 ?
O6 Na1 C10 100.51(10) . 4_665 ?
C10 Na1 C10 126.49(17) 1_655 4_665 ?
O5 Na1 C6 124.80(15) 1_655 4_665 ?
O5 Na1 C6 49.31(11) 4_665 4_665 ?
O7 Na1 C6 147.01(14) 4_565 4_665 ?
O7 Na1 C6 76.23(10) . 4_665 ?
O1 Na1 C6 22.92(10) 4_665 4_665 ?
O1 Na1 C6 95.78(12) 1_655 4_665 ?
O6 Na1 C6 121.55(8) . 4_665 ?
C10 Na1 C6 128.79(13) 1_655 4_665 ?
C10 Na1 C6 27.40(11) 4_665 4_665 ?
O5 Na1 C6 49.31(11) 1_655 1_655 ?
O5 Na1 C6 124.80(15) 4_665 1_655 ?
O7 Na1 C6 76.23(10) 4_565 1_655 ?
O7 Na1 C6 147.01(14) . 1_655 ?
O1 Na1 C6 95.78(12) 4_665 1_655 ?
O1 Na1 C6 22.92(10) 1_655 1_655 ?
O6 Na1 C6 121.55(9) . 1_655 ?
C10 Na1 C6 27.40(11) 1_655 1_655 ?
C10 Na1 C6 128.79(13) 4_665 1_655 ?
C6 Na1 C6 115.97(16) 4_665 1_655 ?
O5 Na1 Nd1 116.31(11) 1_655 . ?
O5 Na1 Nd1 116.31(11) 4_665 . ?
O7 Na1 Nd1 40.35(8) 4_565 . ?
O7 Na1 Nd1 40.35(8) . . ?
O1 Na1 Nd1 122.53(10) 4_665 . ?
O1 Na1 Nd1 122.53(10) 1_655 . ?
O6 Na1 Nd1 42.71(10) . . ?
C10 Na1 Nd1 114.41(8) 1_655 . ?
C10 Na1 Nd1 114.41(8) 4_665 . ?
C6 Na1 Nd1 116.26(8) 4_665 . ?
C6 Na1 Nd1 116.26(8) 1_655 . ?

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_2
_geom_torsion_site_symmetry_3
_geom_torsion_site_symmetry_4
_geom_torsion_publ_flag
O1 Nd1 O1 C6 152.9(6) 4_565 . . . ?
O9 Nd1 O1 C6 -46.2(7) . . . . ?
O10 Nd1 O1 C6 -135.7(7) . . . . ?
O8 Nd1 O1 C6 -159.9(6) . . . . ?
O8 Nd1 O1 C6 -59.7(7) 4_565 . . . ?
O7 Nd1 O1 C6 79.9(7) . . . . ?
O7 Nd1 O1 C6 13.9(7) 4_565 . . . ?
O6 Nd1 O1 C6 78.3(7) . . . . ?
Na1 Nd1 O1 C6 46.8(7) . . . . ?
Na1 Nd1 O1 C6 167.6(7) 1_455 . . . ?
O1 Nd1 O1 Na1 -14.71(16) 4_565 . . 1_455 ?
O9 Nd1 O1 Na1 146.23(17) . . . 1_455 ?
O10 Nd1 O1 Na1 56.78(14) . . . 1_455 ?
O8 Nd1 O1 Na1 32.6(2) . . . 1_455 ?
O8 Nd1 O1 Na1 132.75(14) 4_565 . . 1_455 ?
O7 Nd1 O1 Na1 -87.67(16) . . . 1_455 ?
O7 Nd1 O1 Na1 -153.65(13) 4_565 . . 1_455 ?
O6 Nd1 O1 Na1 -89.26(13) . . . 1_455 ?
Na1 Nd1 O1 Na1 -120.78(11) . . . 1_455 ?
O1 Nd1 O7 Na1 -54.96(19) . . . . ?
O1 Nd1 O7 Na1 -125.58(13) 4_565 . . . ?
O9 Nd1 O7 Na1 91.16(13) . . . . ?
O10 Nd1 O7 Na1 -174.7(2) . . . . ?
O8 Nd1 O7 Na1 163.57(15) . . . . ?
O8 Nd1 O7 Na1 60.75(19) 4_565 . . . ?
O7 Nd1 O7 Na1 14.41(16) 4_565 . . . ?
O6 Nd1 O7 Na1 -53.28(12) . . . . ?
Na1 Nd1 O7 Na1 -105.51(12) 1_455 . . . ?
O1 Nd1 O6 Na1 -137.67(8) . . . . ?
O1 Nd1 O6 Na1 137.67(8) 4_565 . . . ?
O9 Nd1 O6 Na1 0.0 . . . . ?
O10 Nd1 O6 Na1 180.0 . . . . ?
O8 Nd1 O6 Na1 87.70(12) . . . . ?
O8 Nd1 O6 Na1 -87.70(12) 4_565 . . . ?
O7 Nd1 O6 Na1 43.54(8) . . . . ?
O7 Nd1 O6 Na1 -43.54(8) 4_565 . . . ?
Na1 Nd1 O6 Na1 180.0 1_455 . . . ?
O3 C8 C7 O2 -3.9(7) . . . . ?
C9 C8 C7 O2 178.7(4) . . . . ?
O3 C8 C7 C6 173.5(4) . . . . ?
C9 C8 C7 C6 -3.9(4) . . . . ?
O3 C8 C9 O4 -0.2(7) . . . . ?
C7 C8 C9 O4 177.2(4) . . . . ?
O3 C8 C9 C10 -178.1(4) . . . . ?
C7 C8 C9 C10 -0.7(4) . . . . ?
Nd1 O1 C6 C7 41.0(9) . . . . ?
Na1 O1 C6 C7 -151.6(4) 1_455 . . . ?
Nd1 O1 C6 C10 -138.8(5) . . . . ?
Na1 O1 C6 C10 28.6(4) 1_455 . . . ?
Nd1 O1 C6 Na1 -167.5(7) . . . 1_455 ?
O2 C7 C6 O1 4.6(7) . . . . ?
C8 C7 C6 O1 -172.7(4) . . . . ?
O2 C7 C6 C10 -175.5(4) . . . . ?
C8 C7 C6 C10 7.1(4) . . . . ?
O2 C7 C6 Na1 -82.6(8) . . . 1_455 ?
C8 C7 C6 Na1 100.0(7) . . . 1_455 ?
Na1 O5 C10 C9 159.0(3) 1_455 . . . ?
Na1 O5 C10 C6 -24.8(5) 1_455 . . . ?
O4 C9 C10 O5 3.8(7) . . . . ?
C8 C9 C10 O5 -178.2(4) . . . . ?
O4 C9 C10 C6 -172.9(4) . . . . ?
C8 C9 C10 C6 5.1(4) . . . . ?
O4 C9 C10 Na1 77.4(12) . . . 1_455 ?
C8 C9 C10 Na1 -104.7(10) . . . 1_455 ?
O1 C6 C10 O5 -4.5(6) . . . . ?
C7 C6 C10 O5 175.6(4) . . . . ?
Na1 C6 C10 O5 19.1(4) 1_455 . . . ?
O1 C6 C10 C9 172.3(4) . . . . ?
C7 C6 C10 C9 -7.6(4) . . . . ?
Na1 C6 C10 C9 -164.1(3) 1_455 . . . ?
O1 C6 C10 Na1 -23.7(3) . . . 1_455 ?
C7 C6 C10 Na1 156.5(3) . . . 1_455 ?
Nd1 O7 Na1 O5 49.1(3) . . . 1_655 ?
Nd1 O7 Na1 O5 138.40(12) . . . 4_665 ?
Nd1 O7 Na1 O7 -14.62(16) . . . 4_565 ?
Nd1 O7 Na1 O1 -152.52(12) . . . 4_665 ?
Nd1 O7 Na1 O1 -88.80(17) . . . 1_655 ?
Nd1 O7 Na1 O6 49.09(11) . . . . ?
Nd1 O7 Na1 C10 0.2(4) . . . 1_655 ?
Nd1 O7 Na1 C10 158.96(13) . . . 4_665 ?
Nd1 O7 Na1 C6 -172.84(13) . . . 4_665 ?
Nd1 O7 Na1 C6 -56.1(3) . . . 1_655 ?
Nd1 O6 Na1 O5 133.82(10) . . . 1_655 ?
Nd1 O6 Na1 O5 -133.82(10) . . . 4_665 ?
Nd1 O6 Na1 O7 46.16(9) . . . 4_565 ?
Nd1 O6 Na1 O7 -46.16(9) . . . . ?
Nd1 O6 Na1 O1 -83.5(2) . . . 4_665 ?
Nd1 O6 Na1 O1 83.5(2) . . . 1_655 ?
Nd1 O6 Na1 C10 114.75(10) . . . 1_655 ?
Nd1 O6 Na1 C10 -114.75(10) . . . 4_665 ?
Nd1 O6 Na1 C6 -95.76(14) . . . 4_665 ?
Nd1 O6 Na1 C6 95.76(14) . . . 1_655 ?
O1 Nd1 Na1 O5 -11.02(15) . . . 1_655 ?
O1 Nd1 Na1 O5 -96.07(14) 4_565 . . 1_655 ?
O9 Nd1 Na1 O5 126.45(12) . . . 1_655 ?
O8 Nd1 Na1 O5 -171.66(13) . . . 1_655 ?
O8 Nd1 Na1 O5 64.57(16) 4_565 . . 1_655 ?
O7 Nd1 Na1 O5 -154.79(19) . . . 1_655 ?
O7 Nd1 Na1 O5 47.70(14) 4_565 . . 1_655 ?
O6 Nd1 Na1 O5 -53.55(12) . . . 1_655 ?
Na1 Nd1 Na1 O5 -53.55(12) 1_455 . . 1_655 ?
O1 Nd1 Na1 O5 96.07(14) . . . 4_665 ?
O1 Nd1 Na1 O5 11.02(15) 4_565 . . 4_665 ?
O9 Nd1 Na1 O5 -126.45(12) . . . 4_665 ?
O8 Nd1 Na1 O5 -64.57(16) . . . 4_665 ?
O8 Nd1 Na1 O5 171.66(13) 4_565 . . 4_665 ?
O7 Nd1 Na1 O5 -47.70(14) . . . 4_665 ?
O7 Nd1 Na1 O5 154.79(19) 4_565 . . 4_665 ?
O6 Nd1 Na1 O5 53.55(12) . . . 4_665 ?
Na1 Nd1 Na1 O5 53.55(12) 1_455 . . 4_665 ?
O1 Nd1 Na1 O7 -58.72(15) . . . 4_565 ?
O1 Nd1 Na1 O7 -143.77(15) 4_565 . . 4_565 ?
O9 Nd1 Na1 O7 78.76(12) . . . 4_565 ?
O8 Nd1 Na1 O7 140.65(14) . . . 4_565 ?
O8 Nd1 Na1 O7 16.87(15) 4_565 . . 4_565 ?
O7 Nd1 Na1 O7 157.5(2) . . . 4_565 ?
O6 Nd1 Na1 O7 -101.24(12) . . . 4_565 ?
Na1 Nd1 Na1 O7 -101.24(12) 1_455 . . 4_565 ?
O1 Nd1 Na1 O7 143.77(15) . . . . ?
O1 Nd1 Na1 O7 58.72(15) 4_565 . . . ?
O9 Nd1 Na1 O7 -78.76(12) . . . . ?
O8 Nd1 Na1 O7 -16.87(15) . . . . ?
O8 Nd1 Na1 O7 -140.65(14) 4_565 . . . ?
O7 Nd1 Na1 O7 -157.5(2) 4_565 . . . ?
O6 Nd1 Na1 O7 101.24(12) . . . . ?
Na1 Nd1 Na1 O7 101.24(12) 1_455 . . . ?
O1 Nd1 Na1 O1 176.91(13) . . . 4_665 ?
O1 Nd1 Na1 O1 91.86(14) 4_565 . . 4_665 ?
O9 Nd1 Na1 O1 -45.62(11) . . . 4_665 ?
O8 Nd1 Na1 O1 16.27(14) . . . 4_665 ?
O8 Nd1 Na1 O1 -107.51(13) 4_565 . . 4_665 ?
O7 Nd1 Na1 O1 33.14(14) . . . 4_665 ?
O7 Nd1 Na1 O1 -124.37(18) 4_565 . . 4_665 ?
O6 Nd1 Na1 O1 134.38(10) . . . 4_665 ?
Na1 Nd1 Na1 O1 134.38(11) 1_455 . . 4_665 ?
O1 Nd1 Na1 O1 -91.86(14) . . . 1_655 ?
O1 Nd1 Na1 O1 -176.91(13) 4_565 . . 1_655 ?
O9 Nd1 Na1 O1 45.62(11) . . . 1_655 ?
O8 Nd1 Na1 O1 107.51(13) . . . 1_655 ?
O8 Nd1 Na1 O1 -16.27(14) 4_565 . . 1_655 ?
O7 Nd1 Na1 O1 124.37(18) . . . 1_655 ?
O7 Nd1 Na1 O1 -33.14(14) 4_565 . . 1_655 ?
O6 Nd1 Na1 O1 -134.38(11) . . . 1_655 ?
Na1 Nd1 Na1 O1 -134.38(11) 1_455 . . 1_655 ?
O1 Nd1 Na1 O6 42.52(8) . . . . ?
O1 Nd1 Na1 O6 -42.52(8) 4_565 . . . ?
O9 Nd1 Na1 O6 180.0 . . . . ?
O8 Nd1 Na1 O6 -118.11(8) . . . . ?
O8 Nd1 Na1 O6 118.11(8) 4_565 . . . ?
O7 Nd1 Na1 O6 -101.24(12) . . . . ?
O7 Nd1 Na1 O6 101.24(12) 4_565 . . . ?
Na1 Nd1 Na1 O6 0.0 1_455 . . . ?
O1 Nd1 Na1 C10 -36.16(15) . . . 1_655 ?
O1 Nd1 Na1 C10 -121.21(14) 4_565 . . 1_655 ?
O9 Nd1 Na1 C10 101.32(12) . . . 1_655 ?
O8 Nd1 Na1 C10 163.21(13) . . . 1_655 ?
O8 Nd1 Na1 C10 39.43(16) 4_565 . . 1_655 ?
O7 Nd1 Na1 C10 -179.93(19) . . . 1_655 ?
O7 Nd1 Na1 C10 22.56(14) 4_565 . . 1_655 ?
O6 Nd1 Na1 C10 -78.68(12) . . . 1_655 ?
Na1 Nd1 Na1 C10 -78.68(12) 1_455 . . 1_655 ?
O1 Nd1 Na1 C10 121.21(14) . . . 4_665 ?
O1 Nd1 Na1 C10 36.16(15) 4_565 . . 4_665 ?
O9 Nd1 Na1 C10 -101.32(12) . . . 4_665 ?
O8 Nd1 Na1 C10 -39.43(16) . . . 4_665 ?
O8 Nd1 Na1 C10 -163.21(13) 4_565 . . 4_665 ?
O7 Nd1 Na1 C10 -22.56(14) . . . 4_665 ?
O7 Nd1 Na1 C10 179.93(19) 4_565 . . 4_665 ?
O6 Nd1 Na1 C10 78.68(12) . . . 4_665 ?
Na1 Nd1 Na1 C10 78.68(12) 1_455 . . 4_665 ?
O1 Nd1 Na1 C6 151.52(13) . . . 4_665 ?
O1 Nd1 Na1 C6 66.48(15) 4_565 . . 4_665 ?
O9 Nd1 Na1 C6 -71.00(12) . . . 4_665 ?
O8 Nd1 Na1 C6 -9.11(15) . . . 4_665 ?
O8 Nd1 Na1 C6 -132.89(13) 4_565 . . 4_665 ?
O7 Nd1 Na1 C6 7.76(14) . . . 4_665 ?
O7 Nd1 Na1 C6 -149.76(19) 4_565 . . 4_665 ?
O6 Nd1 Na1 C6 109.00(11) . . . 4_665 ?
Na1 Nd1 Na1 C6 109.00(12) 1_455 . . 4_665 ?
O1 Nd1 Na1 C6 -66.48(15) . . . 1_655 ?
O1 Nd1 Na1 C6 -151.52(13) 4_565 . . 1_655 ?
O9 Nd1 Na1 C6 71.00(12) . . . 1_655 ?
O8 Nd1 Na1 C6 132.89(13) . . . 1_655 ?
O8 Nd1 Na1 C6 9.11(15) 4_565 . . 1_655 ?
O7 Nd1 Na1 C6 149.76(19) . . . 1_655 ?
O7 Nd1 Na1 C6 -7.76(14) 4_565 . . 1_655 ?
O6 Nd1 Na1 C6 -109.00(12) . . . 1_655 ?
Na1 Nd1 Na1 C6 -109.00(12) 1_455 . . 1_655 ?

_diffrn_measured_fraction_theta_max 1.00
_diffrn_reflns_theta_full        28.69
_diffrn_measured_fraction_theta_full 1.00
_refine_diff_density_max         1.996
_refine_diff_density_min         -1.482
_refine_diff_density_rms         0.190
_database_code_depnum_ccdc_archive 'CCDC 928545'
#######################################################################
#
#                 Cambridge Crystallographic Data Centre
#                                CCDC 
# 
#######################################################################
# 
#  This CIF contains data from an original supplementary publication
#  deposited with the CCDC, and may include chemical, crystal,
#  experimental, refinement, atomic coordinates,
#  anisotropic displacement parameters and molecular geometry data,
#  as required by the journal to which it was submitted.
#
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#  fide research purposes only. It may contain copyright material
#  of the CCDC or of third parties, and may not be copied or further
#  disseminated in any form, whether machine-readable or not,
#  except for the purpose of generating routine backup copies
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#  data retrieval see:
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#  from this site to visualise CIF-encoded structures and 
#  to carry out CIF format checking respectively.
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data_Complex3

_audit_creation_method           SHELXL-97
_chemical_name_systematic        
; 
 ? 
;
_chemical_name_common            ?
_chemical_melting_point          ?
_chemical_formula_moiety         'C10 H4 Dy Na O17 '
_chemical_formula_sum            'C10 H4 Dy Na O17'
_chemical_formula_weight         581.62

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'
Dy Dy -0.1892 4.4098 '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'
H H 0.0000 0.0000 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'

_symmetry_cell_setting           Monoclinic
_symmetry_space_group_name_H-M   'P 21/m'

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

_cell_length_a                   6.7395(5)
_cell_length_b                   15.8784(14)
_cell_length_c                   8.0974(6)
_cell_angle_alpha                90.00
_cell_angle_beta                 113.127(5)
_cell_angle_gamma                90.00
_cell_volume                     796.89(11)
_cell_formula_units_Z            2
_cell_measurement_temperature    296(2)
_cell_measurement_reflns_used    3853
_cell_measurement_theta_min      2.57
_cell_measurement_theta_max      26.50

_exptl_crystal_description       Block
_exptl_crystal_colour            Yellow
_exptl_crystal_size_max          0.43
_exptl_crystal_size_mid          0.35
_exptl_crystal_size_min          0.28
_exptl_crystal_density_meas      ?
_exptl_crystal_density_diffrn    2.407
_exptl_crystal_density_method    'not measured'
_exptl_crystal_F_000             554
_exptl_absorpt_coefficient_mu    4.815
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_correction_T_min  0.144
_exptl_absorpt_correction_T_max  0.260
_exptl_absorpt_process_details   multi-scan

_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  APEX-II
_diffrn_measurement_method       ?
_diffrn_detector_area_resol_mean ?
_diffrn_standards_number         ?
_diffrn_standards_interval_count ?
_diffrn_standards_interval_time  ?
_diffrn_standards_decay_%        ?
_diffrn_reflns_number            7314
_diffrn_reflns_av_R_equivalents  0.0367
_diffrn_reflns_av_unetI/netI     0.0207
_diffrn_reflns_limit_h_min       -8
_diffrn_reflns_limit_h_max       8
_diffrn_reflns_limit_k_min       -20
_diffrn_reflns_limit_k_max       20
_diffrn_reflns_limit_l_min       -10
_diffrn_reflns_limit_l_max       10
_diffrn_reflns_theta_min         2.57
_diffrn_reflns_theta_max         27.44
_reflns_number_total             1900
_reflns_number_gt                1891
_reflns_threshold_expression     >2sigma(I)

_computing_data_collection       ?
_computing_cell_refinement       ?
_computing_data_reduction        ?
_computing_structure_solution    'SHELXS-97 (Sheldrick, 1990)'
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 1997)'
_computing_molecular_graphics    ?
_computing_publication_material  ?

_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. 
;

_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^)+(0.0005P)^2^+2.0100P] where P=(Fo^2^+2Fc^2^)/3'
_atom_sites_solution_primary     direct
_atom_sites_solution_secondary   difmap
_atom_sites_solution_hydrogens   .
_refine_ls_hydrogen_treatment    constr
_refine_ls_extinction_method     none
_refine_ls_extinction_coef       ?
_refine_ls_number_reflns         1900
_refine_ls_number_parameters     142
_refine_ls_number_restraints     0
_refine_ls_R_factor_all          0.0162
_refine_ls_R_factor_gt           0.0160
_refine_ls_wR_factor_ref         0.0354
_refine_ls_wR_factor_gt          0.0353
_refine_ls_goodness_of_fit_ref   1.064
_refine_ls_restrained_S_all      1.064
_refine_ls_shift/su_max          0.004
_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
Dy1 Dy 0.16085(2) 0.2500 0.03867(2) 0.00929(5) Uani 1 2 d S . .
O1 O 0.4431(3) 0.15611(12) 0.1889(2) 0.0161(4) Uani 1 1 d . . .
O2 O 0.8338(3) 0.14021(14) 0.5002(3) 0.0266(5) Uani 1 1 d . . .
O3 O 0.8793(3) -0.03476(11) 0.6267(2) 0.0167(4) Uani 1 1 d . . .
O4 O 0.5438(3) -0.13332(16) 0.3498(3) 0.0316(5) Uani 1 1 d . . .
O5 O 0.2858(3) -0.01786(11) 0.0595(2) 0.0148(3) Uani 1 1 d . . .
O10 O 0.2292(4) 0.2500 0.3744(4) 0.0223(6) Uani 1 2 d S . .
O9 O -0.0635(3) 0.34720(11) 0.1243(2) 0.0133(3) Uani 1 1 d . . .
O7 O 0.1119(3) 0.37429(12) -0.1452(2) 0.0155(4) Uani 1 1 d . . .
H7 H 0.2044 0.4092 -0.0913 0.023 Uiso 1 1 calc R . .
O8 O -0.1859(4) 0.2500 -0.2030(4) 0.0291(7) Uani 1 2 d S . .
H8 H -0.2562 0.2098 -0.1922 0.044 Uiso 0.50 1 calc PR . .
O6 O 0.4193(4) 0.2500 -0.0998(3) 0.0163(5) Uani 1 2 d S . .
H6 H 0.4447 0.2014 -0.1194 0.024 Uiso 0.50 1 calc PR . .
C1 C 0.5225(4) 0.08498(16) 0.2585(3) 0.0134(5) Uani 1 1 d . . .
C2 C 0.7217(4) 0.08080(18) 0.4240(3) 0.0194(5) Uani 1 1 d . . .
C3 C 0.7451(4) -0.00757(18) 0.4818(4) 0.0205(6) Uani 1 1 d . . .
C4 C 0.5730(5) -0.0569(2) 0.3429(4) 0.0349(8) Uani 1 1 d . . .
C5 C 0.4421(4) 0.00156(17) 0.2009(3) 0.0163(5) Uani 1 1 d . . .
Na1 Na 0.7776(2) 0.2500 0.27530(18) 0.0109(3) Uani 1 2 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
Dy1 0.01131(7) 0.00264(7) 0.01263(8) 0.000 0.00333(6) 0.000
O1 0.0173(8) 0.0162(9) 0.0152(9) 0.0047(7) 0.0070(7) 0.0063(7)
O2 0.0151(9) 0.0324(11) 0.0281(10) 0.0020(10) 0.0039(8) 0.0047(9)
O3 0.0172(8) 0.0147(8) 0.0155(8) 0.0047(7) 0.0036(7) 0.0004(7)
O4 0.0256(10) 0.0406(14) 0.0278(11) -0.0006(10) 0.0096(9) 0.0019(10)
O5 0.0178(8) 0.0091(8) 0.0132(8) -0.0031(7) 0.0017(7) -0.0054(7)
O10 0.0216(13) 0.0275(15) 0.0186(14) 0.000 0.0086(11) 0.000
O9 0.0138(8) 0.0159(9) 0.0096(8) 0.0036(7) 0.0038(6) -0.0023(7)
O7 0.0141(8) 0.0211(9) 0.0114(8) 0.0059(7) 0.0051(6) 0.0052(7)
O8 0.0177(13) 0.0409(19) 0.0226(15) 0.000 0.0012(12) 0.000
O6 0.0236(13) 0.0099(11) 0.0100(12) 0.000 0.0010(10) 0.000
C1 0.0122(10) 0.0148(12) 0.0141(11) -0.0039(9) 0.0061(9) 0.0018(9)
C2 0.0213(12) 0.0215(13) 0.0167(12) 0.0071(11) 0.0089(10) 0.0029(11)
C3 0.0210(12) 0.0243(14) 0.0172(12) -0.0074(11) 0.0086(10) -0.0005(11)
C4 0.0236(14) 0.044(2) 0.0325(17) -0.0048(16) 0.0058(13) 0.0065(15)
C5 0.0179(11) 0.0210(13) 0.0160(12) -0.0016(10) 0.0131(10) -0.0040(10)
Na1 0.0106(6) 0.0104(6) 0.0112(6) 0.000 0.0038(5) 0.000

_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
Dy1 O1 2.3459(17) 4_565 ?
Dy1 O1 2.3459(17) . ?
Dy1 O8 2.387(3) . ?
Dy1 O6 2.414(3) . ?
Dy1 O7 2.4154(18) 4_565 ?
Dy1 O7 2.4154(18) . ?
Dy1 O9 2.4440(18) 4_565 ?
Dy1 O9 2.4440(18) . ?
Dy1 O10 2.573(3) . ?
Dy1 Na1 3.7722(14) 1_455 ?
Dy1 Na1 3.8332(13) . ?
O1 C1 1.282(3) . ?
O1 Na1 2.560(2) . ?
O2 C2 1.215(3) . ?
O2 Na1 2.441(2) . ?
O3 C3 1.244(3) . ?
O4 C4 1.233(4) . ?
O5 C5 1.252(3) . ?
O10 Na1 2.826(3) 1_455 ?
O9 Na1 2.4599(19) 1_455 ?
O7 H7 0.8200 . ?
O8 H8 0.8200 . ?
O6 H6 0.8200 . ?
C1 C5 1.438(4) . ?
C1 C2 1.479(3) . ?
C1 Na1 3.108(3) . ?
C2 C3 1.468(4) . ?
C2 Na1 3.027(3) . ?
C3 C4 1.484(4) . ?
C4 C5 1.472(4) . ?
Na1 O2 2.441(2) 4_565 ?
Na1 O9 2.4599(19) 4_665 ?
Na1 O9 2.4599(19) 1_655 ?
Na1 O1 2.560(2) 4_565 ?
Na1 O10 2.826(3) 1_655 ?
Na1 C2 3.027(3) 4_565 ?
Na1 C1 3.108(3) 4_565 ?
Na1 Dy1 3.7722(14) 1_655 ?

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 Dy1 O1 78.92(9) 4_565 . ?
O1 Dy1 O8 139.32(5) 4_565 . ?
O1 Dy1 O8 139.32(5) . . ?
O1 Dy1 O6 69.78(6) 4_565 . ?
O1 Dy1 O6 69.78(6) . . ?
O8 Dy1 O6 105.79(10) . . ?
O1 Dy1 O7 136.50(6) 4_565 4_565 ?
O1 Dy1 O7 71.75(6) . 4_565 ?
O8 Dy1 O7 69.02(6) . 4_565 ?
O6 Dy1 O7 70.28(5) . 4_565 ?
O1 Dy1 O7 71.75(6) 4_565 . ?
O1 Dy1 O7 136.50(6) . . ?
O8 Dy1 O7 69.02(6) . . ?
O6 Dy1 O7 70.28(5) . . ?
O7 Dy1 O7 109.58(9) 4_565 . ?
O1 Dy1 O9 136.09(6) 4_565 4_565 ?
O1 Dy1 O9 85.28(6) . 4_565 ?
O8 Dy1 O9 73.56(7) . 4_565 ?
O6 Dy1 O9 140.50(4) . 4_565 ?
O7 Dy1 O9 73.08(6) 4_565 4_565 ?
O7 Dy1 O9 137.81(6) . 4_565 ?
O1 Dy1 O9 85.28(6) 4_565 . ?
O1 Dy1 O9 136.09(6) . . ?
O8 Dy1 O9 73.56(7) . . ?
O6 Dy1 O9 140.50(4) . . ?
O7 Dy1 O9 137.81(6) 4_565 . ?
O7 Dy1 O9 73.08(6) . . ?
O9 Dy1 O9 78.32(8) 4_565 . ?
O1 Dy1 O10 71.34(6) 4_565 . ?
O1 Dy1 O10 71.34(6) . . ?
O8 Dy1 O10 125.29(10) . . ?
O6 Dy1 O10 128.93(9) . . ?
O7 Dy1 O10 125.15(4) 4_565 . ?
O7 Dy1 O10 125.15(4) . . ?
O9 Dy1 O10 64.80(6) 4_565 . ?
O9 Dy1 O10 64.80(6) . . ?
O1 Dy1 Na1 108.32(5) 4_565 1_455 ?
O1 Dy1 Na1 108.32(5) . 1_455 ?
O8 Dy1 Na1 76.78(8) . 1_455 ?
O6 Dy1 Na1 177.43(6) . 1_455 ?
O7 Dy1 Na1 110.98(4) 4_565 1_455 ?
O7 Dy1 Na1 110.98(4) . 1_455 ?
O9 Dy1 Na1 39.87(4) 4_565 1_455 ?
O9 Dy1 Na1 39.87(4) . 1_455 ?
O10 Dy1 Na1 48.51(6) . 1_455 ?
O1 Dy1 Na1 40.67(5) 4_565 . ?
O1 Dy1 Na1 40.67(5) . . ?
O8 Dy1 Na1 158.44(8) . . ?
O6 Dy1 Na1 52.65(6) . . ?
O7 Dy1 Na1 99.61(4) 4_565 . ?
O7 Dy1 Na1 99.61(4) . . ?
O9 Dy1 Na1 121.90(4) 4_565 . ?
O9 Dy1 Na1 121.90(4) . . ?
O10 Dy1 Na1 76.28(6) . . ?
Na1 Dy1 Na1 124.78(4) 1_455 . ?
C1 O1 Dy1 154.34(16) . . ?
C1 O1 Na1 102.85(14) . . ?
Dy1 O1 Na1 102.67(7) . . ?
C2 O2 Na1 106.98(17) . . ?
Dy1 O10 Na1 88.51(9) . 1_455 ?
Dy1 O9 Na1 100.57(7) . 1_455 ?
Dy1 O7 H7 109.5 . . ?
Dy1 O8 H8 109.5 . . ?
Dy1 O6 H6 109.5 . . ?
O1 C1 C5 129.1(2) . . ?
O1 C1 C2 120.8(2) . . ?
C5 C1 C2 110.2(2) . . ?
O1 C1 Na1 53.44(12) . . ?
C5 C1 Na1 157.31(17) . . ?
C2 C1 Na1 73.05(15) . . ?
O2 C2 C3 127.8(2) . . ?
O2 C2 C1 126.0(3) . . ?
C3 C2 C1 106.1(2) . . ?
O2 C2 Na1 50.46(14) . . ?
C3 C2 Na1 163.82(19) . . ?
C1 C2 Na1 79.08(15) . . ?
O3 C3 C2 125.4(2) . . ?
O3 C3 C4 126.4(3) . . ?
C2 C3 C4 108.0(2) . . ?
O4 C4 C5 126.8(3) . . ?
O4 C4 C3 125.2(3) . . ?
C5 C4 C3 108.0(3) . . ?
O5 C5 C1 126.7(2) . . ?
O5 C5 C4 126.1(3) . . ?
C1 C5 C4 107.1(2) . . ?
O2 Na1 O2 91.15(11) 4_565 . ?
O2 Na1 O9 148.08(8) 4_565 4_665 ?
O2 Na1 O9 87.28(6) . 4_665 ?
O2 Na1 O9 87.28(6) 4_565 1_655 ?
O2 Na1 O9 148.08(8) . 1_655 ?
O9 Na1 O9 77.72(9) 4_665 1_655 ?
O2 Na1 O1 118.79(8) 4_565 . ?
O2 Na1 O1 69.51(6) . . ?
O9 Na1 O1 90.41(6) 4_665 . ?
O9 Na1 O1 137.54(8) 1_655 . ?
O2 Na1 O1 69.51(6) 4_565 4_565 ?
O2 Na1 O1 118.79(8) . 4_565 ?
O9 Na1 O1 137.54(8) 4_665 4_565 ?
O9 Na1 O1 90.41(6) 1_655 4_565 ?
O1 Na1 O1 71.22(8) . 4_565 ?
O2 Na1 O10 87.37(7) 4_565 1_655 ?
O2 Na1 O10 87.37(7) . 1_655 ?
O9 Na1 O10 60.71(6) 4_665 1_655 ?
O9 Na1 O10 60.71(6) 1_655 1_655 ?
O1 Na1 O10 144.29(4) . 1_655 ?
O1 Na1 O10 144.29(4) 4_565 1_655 ?
O2 Na1 C2 22.57(7) 4_565 4_565 ?
O2 Na1 C2 110.13(9) . 4_565 ?
O9 Na1 C2 154.27(8) 4_665 4_565 ?
O9 Na1 C2 77.72(7) 1_655 4_565 ?
O1 Na1 C2 113.06(8) . 4_565 ?
O1 Na1 C2 50.07(6) 4_565 4_565 ?
O10 Na1 C2 100.11(6) 1_655 4_565 ?
O2 Na1 C2 110.13(9) 4_565 . ?
O2 Na1 C2 22.57(7) . . ?
O9 Na1 C2 77.72(7) 4_665 . ?
O9 Na1 C2 154.27(8) 1_655 . ?
O1 Na1 C2 50.07(6) . . ?
O1 Na1 C2 113.06(8) 4_565 . ?
O10 Na1 C2 100.11(6) 1_655 . ?
C2 Na1 C2 125.10(11) 4_565 . ?
O2 Na1 C1 123.76(8) 4_565 . ?
O2 Na1 C1 49.57(7) . . ?
O9 Na1 C1 77.92(6) 4_665 . ?
O9 Na1 C1 148.06(8) 1_655 . ?
O1 Na1 C1 23.71(6) . . ?
O1 Na1 C1 93.80(7) 4_565 . ?
O10 Na1 C1 121.88(5) 1_655 . ?
C2 Na1 C1 127.76(8) 4_565 . ?
C2 Na1 C1 27.87(6) . . ?
O2 Na1 C1 49.57(7) 4_565 4_565 ?
O2 Na1 C1 123.76(8) . 4_565 ?
O9 Na1 C1 148.06(8) 4_665 4_565 ?
O9 Na1 C1 77.92(6) 1_655 4_565 ?
O1 Na1 C1 93.80(7) . 4_565 ?
O1 Na1 C1 23.71(6) 4_565 4_565 ?
O10 Na1 C1 121.88(5) 1_655 4_565 ?
C2 Na1 C1 27.87(6) 4_565 4_565 ?
C2 Na1 C1 127.76(8) . 4_565 ?
C1 Na1 C1 114.95(10) . 4_565 ?
O2 Na1 Dy1 116.27(6) 4_565 1_655 ?
O2 Na1 Dy1 116.27(6) . 1_655 ?
O9 Na1 Dy1 39.56(5) 4_665 1_655 ?
O9 Na1 Dy1 39.56(5) 1_655 1_655 ?
O1 Na1 Dy1 124.48(5) . 1_655 ?
O1 Na1 Dy1 124.48(5) 4_565 1_655 ?
O10 Na1 Dy1 42.98(6) 1_655 1_655 ?
C2 Na1 Dy1 114.77(6) 4_565 1_655 ?
C2 Na1 Dy1 114.77(6) . 1_655 ?
C1 Na1 Dy1 117.08(5) . 1_655 ?
C1 Na1 Dy1 117.08(5) 4_565 1_655 ?

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_2
_geom_torsion_site_symmetry_3
_geom_torsion_site_symmetry_4
_geom_torsion_publ_flag
O1 Dy1 O1 C1 157.3(4) 4_565 . . . ?
O8 Dy1 O1 C1 -39.5(4) . . . . ?
O6 Dy1 O1 C1 -130.4(4) . . . . ?
O7 Dy1 O1 C1 -55.3(4) 4_565 . . . ?
O7 Dy1 O1 C1 -154.8(4) . . . . ?
O9 Dy1 O1 C1 18.4(4) 4_565 . . . ?
O9 Dy1 O1 C1 86.2(4) . . . . ?
O10 Dy1 O1 C1 83.4(4) . . . . ?
Na1 Dy1 O1 C1 51.4(4) 1_455 . . . ?
Na1 Dy1 O1 C1 173.9(4) . . . . ?
O1 Dy1 O1 Na1 -16.65(9) 4_565 . . . ?
O8 Dy1 O1 Na1 146.64(13) . . . . ?
O6 Dy1 O1 Na1 55.70(7) . . . . ?
O7 Dy1 O1 Na1 130.80(8) 4_565 . . . ?
O7 Dy1 O1 Na1 31.28(12) . . . . ?
O9 Dy1 O1 Na1 -155.48(7) 4_565 . . . ?
O9 Dy1 O1 Na1 -87.73(10) . . . . ?
O10 Dy1 O1 Na1 -90.51(8) . . . . ?
Na1 Dy1 O1 Na1 -122.47(6) 1_455 . . . ?
O1 Dy1 O10 Na1 137.87(5) 4_565 . . 1_455 ?
O1 Dy1 O10 Na1 -137.87(5) . . . 1_455 ?
O8 Dy1 O10 Na1 0.0 . . . 1_455 ?
O6 Dy1 O10 Na1 180.0 . . . 1_455 ?
O7 Dy1 O10 Na1 -87.81(6) 4_565 . . 1_455 ?
O7 Dy1 O10 Na1 87.81(6) . . . 1_455 ?
O9 Dy1 O10 Na1 -44.26(5) 4_565 . . 1_455 ?
O9 Dy1 O10 Na1 44.26(5) . . . 1_455 ?
Na1 Dy1 O10 Na1 180.0 . . . 1_455 ?
O1 Dy1 O9 Na1 -126.21(7) 4_565 . . 1_455 ?
O1 Dy1 O9 Na1 -57.55(10) . . . 1_455 ?
O8 Dy1 O9 Na1 88.93(8) . . . 1_455 ?
O6 Dy1 O9 Na1 -176.02(10) . . . 1_455 ?
O7 Dy1 O9 Na1 60.72(10) 4_565 . . 1_455 ?
O7 Dy1 O9 Na1 161.44(7) . . . 1_455 ?
O9 Dy1 O9 Na1 12.83(8) 4_565 . . 1_455 ?
O10 Dy1 O9 Na1 -54.64(7) . . . 1_455 ?
Na1 Dy1 O9 Na1 -107.64(6) . . . 1_455 ?
Dy1 O1 C1 C5 34.8(5) . . . . ?
Na1 O1 C1 C5 -151.3(2) . . . . ?
Dy1 O1 C1 C2 -143.6(3) . . . . ?
Na1 O1 C1 C2 30.3(3) . . . . ?
Dy1 O1 C1 Na1 -173.9(4) . . . . ?
Na1 O2 C2 C3 159.4(2) . . . . ?
Na1 O2 C2 C1 -25.4(3) . . . . ?
O1 C1 C2 O2 -5.3(4) . . . . ?
C5 C1 C2 O2 176.0(3) . . . . ?
Na1 C1 C2 O2 19.7(3) . . . . ?
O1 C1 C2 C3 170.7(2) . . . . ?
C5 C1 C2 C3 -7.9(3) . . . . ?
Na1 C1 C2 C3 -164.2(2) . . . . ?
O1 C1 C2 Na1 -25.0(2) . . . . ?
C5 C1 C2 Na1 156.28(19) . . . . ?
O2 C2 C3 O3 4.6(5) . . . . ?
C1 C2 C3 O3 -171.3(2) . . . . ?
Na1 C2 C3 O3 82.0(7) . . . . ?
O2 C2 C3 C4 -178.9(3) . . . . ?
C1 C2 C3 C4 5.2(3) . . . . ?
Na1 C2 C3 C4 -101.5(7) . . . . ?
O3 C3 C4 O4 -2.6(5) . . . . ?
C2 C3 C4 O4 -179.0(3) . . . . ?
O3 C3 C4 C5 175.7(3) . . . . ?
C2 C3 C4 C5 -0.8(3) . . . . ?
O1 C1 C5 O5 6.9(4) . . . . ?
C2 C1 C5 O5 -174.6(2) . . . . ?
Na1 C1 C5 O5 -80.3(5) . . . . ?
O1 C1 C5 C4 -171.0(3) . . . . ?
C2 C1 C5 C4 7.5(3) . . . . ?
Na1 C1 C5 C4 101.7(5) . . . . ?
O4 C4 C5 O5 -3.8(5) . . . . ?
C3 C4 C5 O5 177.9(2) . . . . ?
O4 C4 C5 C1 174.1(3) . . . . ?
C3 C4 C5 C1 -4.1(3) . . . . ?
C2 O2 Na1 O2 148.04(16) . . . 4_565 ?
C2 O2 Na1 O9 -63.86(18) . . . 4_665 ?
C2 O2 Na1 O9 -125.25(19) . . . 1_655 ?
C2 O2 Na1 O1 27.59(17) . . . . ?
C2 O2 Na1 O1 80.90(19) . . . 4_565 ?
C2 O2 Na1 O10 -124.64(18) . . . 1_655 ?
C2 O2 Na1 C2 135.5(2) . . . 4_565 ?
C2 O2 Na1 C1 12.55(16) . . . . ?
C2 O2 Na1 C1 108.12(19) . . . 4_565 ?
C2 O2 Na1 Dy1 -91.72(18) . . . 1_655 ?
C1 O1 Na1 O2 -109.00(16) . . . 4_565 ?
Dy1 O1 Na1 O2 68.29(10) . . . 4_565 ?
C1 O1 Na1 O2 -29.43(15) . . . . ?
Dy1 O1 Na1 O2 147.87(9) . . . . ?
C1 O1 Na1 O9 57.52(15) . . . 4_665 ?
Dy1 O1 Na1 O9 -125.18(7) . . . 4_665 ?
C1 O1 Na1 O9 129.62(15) . . . 1_655 ?
Dy1 O1 Na1 O9 -53.08(12) . . . 1_655 ?
C1 O1 Na1 O1 -161.50(13) . . . 4_565 ?
Dy1 O1 Na1 O1 15.79(9) . . . 4_565 ?
C1 O1 Na1 O10 23.4(2) . . . 1_655 ?
Dy1 O1 Na1 O10 -159.27(13) . . . 1_655 ?
C1 O1 Na1 C2 -133.32(15) . . . 4_565 ?
Dy1 O1 Na1 C2 43.97(10) . . . 4_565 ?
C1 O1 Na1 C2 -16.02(15) . . . . ?
Dy1 O1 Na1 C2 161.27(11) . . . . ?
Dy1 O1 Na1 C1 177.30(19) . . . . ?
C1 O1 Na1 C1 -154.16(18) . . . 4_565 ?
Dy1 O1 Na1 C1 23.14(8) . . . 4_565 ?
C1 O1 Na1 Dy1 79.03(16) . . . 1_655 ?
Dy1 O1 Na1 Dy1 -103.67(6) . . . 1_655 ?
O2 C2 Na1 O2 -34.30(17) . . . 4_565 ?
C3 C2 Na1 O2 -124.6(6) . . . 4_565 ?
C1 C2 Na1 O2 124.98(15) . . . 4_565 ?
C3 C2 Na1 O2 -90.3(7) . . . . ?
C1 C2 Na1 O2 159.3(3) . . . . ?
O2 C2 Na1 O9 113.41(18) . . . 4_665 ?
C3 C2 Na1 O9 23.1(7) . . . 4_665 ?
C1 C2 Na1 O9 -87.31(14) . . . 4_665 ?
O2 C2 Na1 O9 95.8(2) . . . 1_655 ?
C3 C2 Na1 O9 5.5(8) . . . 1_655 ?
C1 C2 Na1 O9 -104.9(2) . . . 1_655 ?
O2 C2 Na1 O1 -145.5(2) . . . . ?
C3 C2 Na1 O1 124.2(7) . . . . ?
C1 C2 Na1 O1 13.74(12) . . . . ?
O2 C2 Na1 O1 -109.87(18) . . . 4_565 ?
C3 C2 Na1 O1 159.8(6) . . . 4_565 ?
C1 C2 Na1 O1 49.41(16) . . . 4_565 ?
O2 C2 Na1 O10 56.59(19) . . . 1_655 ?
C3 C2 Na1 O10 -33.7(7) . . . 1_655 ?
C1 C2 Na1 O10 -144.13(15) . . . 1_655 ?
O2 C2 Na1 C2 -53.5(2) . . . 4_565 ?
C3 C2 Na1 C2 -143.8(6) . . . 4_565 ?
C1 C2 Na1 C2 105.80(16) . . . 4_565 ?
O2 C2 Na1 C1 -159.3(3) . . . . ?
C3 C2 Na1 C1 110.4(7) . . . . ?
O2 C2 Na1 C1 -88.16(19) . . . 4_565 ?
C3 C2 Na1 C1 -178.5(6) . . . 4_565 ?
C1 C2 Na1 C1 71.12(17) . . . 4_565 ?
O2 C2 Na1 Dy1 99.19(18) . . . 1_655 ?
C3 C2 Na1 Dy1 8.9(7) . . . 1_655 ?
C1 C2 Na1 Dy1 -101.53(14) . . . 1_655 ?
O1 C1 Na1 O2 85.34(16) . . . 4_565 ?
C5 C1 Na1 O2 -169.6(4) . . . 4_565 ?
C2 C1 Na1 O2 -67.74(17) . . . 4_565 ?
O1 C1 Na1 O2 142.80(18) . . . . ?
C5 C1 Na1 O2 -112.1(5) . . . . ?
C2 C1 Na1 O2 -10.28(14) . . . . ?
O1 C1 Na1 O9 -120.38(16) . . . 4_665 ?
C5 C1 Na1 O9 -15.3(4) . . . 4_665 ?
C2 C1 Na1 O9 86.55(15) . . . 4_665 ?
O1 C1 Na1 O9 -79.4(2) . . . 1_655 ?
C5 C1 Na1 O9 25.7(5) . . . 1_655 ?
C2 C1 Na1 O9 127.54(17) . . . 1_655 ?
C5 C1 Na1 O1 105.1(5) . . . . ?
C2 C1 Na1 O1 -153.1(2) . . . . ?
O1 C1 Na1 O1 17.52(13) . . . 4_565 ?
C5 C1 Na1 O1 122.6(4) . . . 4_565 ?
C2 C1 Na1 O1 -135.56(15) . . . 4_565 ?
O1 C1 Na1 O10 -164.13(16) . . . 1_655 ?
C5 C1 Na1 O10 -59.1(5) . . . 1_655 ?
C2 C1 Na1 O10 42.79(17) . . . 1_655 ?
O1 C1 Na1 C2 57.86(18) . . . 4_565 ?
C5 C1 Na1 C2 162.9(4) . . . 4_565 ?
C2 C1 Na1 C2 -95.21(18) . . . 4_565 ?
O1 C1 Na1 C2 153.1(2) . . . . ?
C5 C1 Na1 C2 -101.9(5) . . . . ?
O1 C1 Na1 C1 28.7(2) . . . 4_565 ?
C5 C1 Na1 C1 133.7(4) . . . 4_565 ?
C2 C1 Na1 C1 -124.41(14) . . . 4_565 ?
O1 C1 Na1 Dy1 -114.64(15) . . . 1_655 ?
C5 C1 Na1 Dy1 -9.6(5) . . . 1_655 ?
C2 C1 Na1 Dy1 92.28(15) . . . 1_655 ?

_diffrn_measured_fraction_theta_max 1.000
_diffrn_reflns_theta_full        27.44
_diffrn_measured_fraction_theta_full 1.000
_refine_diff_density_max         0.747
_refine_diff_density_min         -0.836
_refine_diff_density_rms         0.084
_database_code_depnum_ccdc_archive 'CCDC 928546'