Supplementary Material (ESI) for Dalton Transactions
This journal is (c) The Royal Society of Chemistry 2001


data_global #  *** Added by check_cif

_journal_coden_Cambridge      186


_publ_contact_author_name           'Prof XIAO-ZENG YOU'
_publ_contact_author_address          
;
Prof. Xiao-Zeng You
Coordination Chemistry Institue
Nanjing University, Nanjing
210093, P. R. China
;
_publ_contact_author_email        'xyz@netra.nju.edu.cn'
_publ_contact_author_fax          '86-25-3317761'
_publ_contact_author_phone        '86-25-3594724'
_publ_requested_journal           'JCS Dalton Transactions'

loop_
_publ_author_name
'Che, Chi-ming'
'Fun, Hoong-Kun'
'Xiong, Ren-Gen'
'You, Xiao-Zeng'
	
_publ_section_title
;
In situ ligand synthesis and the first crystallographically characterized
lanthanide 3D pillared networks containing benzene-1,4-disulfonate as
building block
;
_publ_section_references
;

Allen, F.H., Kennard, O., Watson, D.G., Brammer, L., Orpen, A.G. & Taylor, R.
(1987). Chem. Soc. Perkin Trans. II, S1-S19.

Nardelli, M. (1995). J. Appl. Cryst. 28, 659.

Orpen, A.G., Brammer, L., Allen, F.H., Kennard, O., Watson, D.G. & Taylor, R.
(1989). J. Chem. Soc. Dalton Trans., S1-S83.

Siemens (1996). SMART and SAINT. Area Detector Control and Integration
Software. Siemens Analytical X-Ray Systems, Inc., Madison, Wisconsin, USA.

Sheldrick, G. M. (1996). SADABS. Program for Empirical  Absorption
Correction of Area Detector Data, University of G\"ottingen, Germany.

Sheldrick, G.M. (1997).  SHELXTL V5.1 Software Reference Manual, 
Bruker AXS, Inc., Madison, Wisconsin, USA.

Spek, A.L. (1990). Acta Cryst. A46, C-34.

;

_publ_section_exptl_refinement
;
The data collection covered over a hemisphere of reciprocal space by a
combination of three sets of exposures; each set had a different \f angle (0,
88 and 180\%) for the crystal and each exposure of 10s covered 0.3\% in \w.
The crystal-to-detector distance was 4 cm and the detector swing angle was
-35\%. Coverage of the unique set is over 99% complete. Crystal decay was 
monitored by repeating fifty initial frames at the end of data collection 
and analysing the duplicate reflections, and was found  to be negligible.

;

#============================================================================

data_1 

_database_code_CSD	153699


_audit_creation_method            SHELXL-97 
_chemical_name_systematic 
; 
? 
; 
_chemical_name_common             ? 
_chemical_melting_point           ? 
_chemical_formula_moiety          ? 
_chemical_formula_sum 
'C20 H18 Eu2 O19 S4' 
_chemical_formula_weight          994.50 

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' 
'O'  'O'   0.0106   0.0060 
'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' 
'Eu'  'Eu'  -0.1578   3.6682 
'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4' 

_symmetry_cell_setting            Orthorhombic 
_symmetry_space_group_name_H-M    Pnma 

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

_cell_length_a                    15.90190(10) 
_cell_length_b                    20.5627(3) 
_cell_length_c                    8.14890(10) 
_cell_angle_alpha                 90.00 
_cell_angle_beta                  90.00 
_cell_angle_gamma                 90.00 
_cell_volume                      2664.58(5) 
_cell_formula_units_Z             4 
_cell_measurement_temperature     293(2) 
_cell_measurement_reflns_used     8192 
_cell_measurement_theta_min       2.56 
_cell_measurement_theta_max       29.60 

_exptl_crystal_description        pale-yellow 
_exptl_crystal_colour             block 
_exptl_crystal_size_max           0.32 
_exptl_crystal_size_mid           0.26 
_exptl_crystal_size_min           0.16 
_exptl_crystal_density_meas       ? 
_exptl_crystal_density_diffrn     2.479 
_exptl_crystal_density_method     'not measured' 
_exptl_crystal_F_000              1920 
_exptl_absorpt_coefficient_mu     5.072 
_exptl_absorpt_correction_type    empirical 
_exptl_absorpt_correction_T_min   0.2937 
_exptl_absorpt_correction_T_max   0.4975 
_exptl_absorpt_process_details    'SADABS (Sheldrick, 1996)' 

_exptl_special_details 
; 
? 
; 

_diffrn_ambient_temperature       293(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
;
Sienmens Smart CCD area detector diffractometer
;
_diffrn_measurement_method        '\ w scans' 
_diffrn_detector_area_resol_mean  8.33 
_diffrn_standards_number          ? 
_diffrn_standards_interval_count  ? 
_diffrn_standards_interval_time   ? 
_diffrn_standards_decay_%         ? 
_diffrn_reflns_number             18663 
_diffrn_reflns_av_R_equivalents   0.0516 
_diffrn_reflns_av_sigmaI/netI     0.0334 
_diffrn_reflns_limit_h_min        -20 
_diffrn_reflns_limit_h_max        20 
_diffrn_reflns_limit_k_min        -15 
_diffrn_reflns_limit_k_max        28 
_diffrn_reflns_limit_l_min        -11 
_diffrn_reflns_limit_l_max        9 
_diffrn_reflns_theta_min          2.56 
_diffrn_reflns_theta_max          29.55 
_reflns_number_total              3576 
_reflns_number_gt                 3482 
_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^)+(0.0485P)^2^+64.4663P] 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_number_reflns          3576 
_refine_ls_number_parameters      211 
_refine_ls_number_restraints      2 
_refine_ls_R_factor_all           0.0627 
_refine_ls_R_factor_gt            0.0615 
_refine_ls_wR_factor_ref          0.1574 
_refine_ls_wR_factor_gt           0.1567 
_refine_ls_goodness_of_fit_ref    1.221 
_refine_ls_restrained_S_all       1.221 
_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 
Eu1 Eu 0.16687(4) 0.7500 0.29793(7) 0.01759(16) Uani 1 2 d S . . 
Eu2 Eu -0.00160(3) 0.7500 0.82328(7) 0.01449(16) Uani 1 2 d S . . 
S1 S 0.30705(13) 0.65024(9) 0.5692(3) 0.0220(4) Uani 1 1 d . . . 
S2 S -0.0020(3) 0.64645(17) 0.4616(5) 0.0552(9) Uani 1 1 d . . . 
O1 O 0.2624(6) 0.6574(4) 0.7251(10) 0.0420(19) Uani 1 1 d . . . 
O2 O 0.2575(4) 0.6737(3) 0.4312(9) 0.0311(15) Uani 1 1 d . . . 
O3 O 0.3897(4) 0.6788(3) 0.5679(9) 0.0279(14) Uani 1 1 d . . . 
O4 O 0.3300(5) 0.3265(3) 0.5928(9) 0.0319(15) Uani 1 1 d . . . 
O5 O 0.4266(5) 0.3440(3) 0.3985(9) 0.0325(15) Uani 1 1 d . . . 
O6 O 0.0737(5) 0.6688(3) 0.4008(9) 0.0344(16) Uani 1 1 d . . . 
O7 O -0.0296(5) 0.6771(3) 0.6064(9) 0.0323(15) Uani 1 1 d . . . 
O8 O -0.0692(10) 0.6595(8) 0.3246(15) 0.088(4) Uani 1 1 d . . . 
O3W O 0.1380(6) 0.7500 0.6752(15) 0.032(2) Uani 1 2 d SD . . 
H2W3 H 0.1875 0.7500 0.7462 0.049 Uiso 1 2 d SRD . . 
H1W3 H 0.1494 0.7500 0.5571 0.049 Uiso 1 2 d SRD . . 
O2W O 0.0117(6) 0.7500 0.1323(13) 0.028(2) Uani 1 2 d S . . 
H1W2 H -0.0327 0.7500 0.0642 0.042 Uiso 1 2 d SR . . 
H2W2 H 0.0158 0.7500 0.2428 0.042 Uiso 1 2 d SR . . 
O1W O 0.3084(8) 0.7500 0.1506(15) 0.042(3) Uani 1 2 d S . . 
H1W1 H 0.3643 0.7500 0.1668 0.063 Uiso 1 2 d SR . . 
H2W1 H 0.3055 0.7500 0.0402 0.063 Uiso 1 2 d SR . . 
C1 C 0.3225(5) 0.5660(4) 0.5362(12) 0.0220(16) Uani 1 1 d . . . 
C2 C 0.2699(6) 0.5225(4) 0.6106(13) 0.0274(19) Uani 1 1 d . . . 
H2A H 0.2246 0.5374 0.6721 0.033 Uiso 1 1 calc R . . 
C3 C 0.2841(6) 0.4561(4) 0.5945(12) 0.0251(18) Uani 1 1 d . . . 
H3A H 0.2488 0.4265 0.6463 0.030 Uiso 1 1 calc R . . 
C4 C 0.3515(5) 0.4341(4) 0.5006(10) 0.0183(15) Uani 1 1 d . . . 
C5 C 0.4021(5) 0.4780(4) 0.4195(11) 0.0215(16) Uani 1 1 d . . . 
H5A H 0.4449 0.4630 0.3516 0.026 Uiso 1 1 calc R . . 
C6 C 0.3894(6) 0.5453(4) 0.4387(12) 0.0279(19) Uani 1 1 d . . . 
H6A H 0.4247 0.5752 0.3877 0.033 Uiso 1 1 calc R . . 
C7 C 0.3691(6) 0.3623(4) 0.4924(11) 0.0223(17) Uani 1 1 d . . . 
C8 C 0.0027(6) 0.5658(5) 0.4904(12) 0.0290(19) Uani 1 1 d . . . 
C9 C -0.0646(6) 0.5369(5) 0.5684(12) 0.033(2) Uani 1 1 d . . . 
H9A H -0.1072 0.5620 0.6145 0.040 Uiso 1 1 calc R . . 
C10 C -0.0673(6) 0.4696(5) 0.5765(13) 0.033(2) Uani 1 1 d . . . 
H10A H -0.1124 0.4488 0.6266 0.039 Uiso 1 1 calc R . . 

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 
Eu1 0.0213(3) 0.0056(2) 0.0259(3) 0.000 -0.0061(2) 0.000 
Eu2 0.0155(3) 0.0052(2) 0.0228(3) 0.000 0.00153(19) 0.000 
S1 0.0229(9) 0.0112(8) 0.0318(11) 0.0003(8) -0.0043(8) 0.0026(7) 
S2 0.070(2) 0.0384(16) 0.057(2) 0.0003(15) 0.0097(17) -0.0042(15) 
O1 0.054(5) 0.026(4) 0.046(5) -0.001(3) 0.017(4) 0.013(3) 
O2 0.033(3) 0.018(3) 0.042(4) 0.002(3) -0.012(3) 0.006(3) 
O3 0.024(3) 0.016(3) 0.043(4) -0.003(3) -0.002(3) -0.003(2) 
O4 0.041(4) 0.017(3) 0.038(4) 0.011(3) 0.001(3) 0.003(3) 
O5 0.043(4) 0.020(3) 0.035(4) -0.003(3) 0.008(3) 0.014(3) 
O6 0.047(4) 0.023(3) 0.033(4) 0.000(3) 0.012(3) -0.012(3) 
O7 0.041(4) 0.023(3) 0.033(4) -0.008(3) -0.002(3) -0.005(3) 
O8 0.101(10) 0.093(10) 0.071(8) 0.002(7) -0.018(7) 0.000(8) 
O3W 0.022(4) 0.007(4) 0.068(7) 0.000 0.013(4) 0.000 
O2W 0.038(5) 0.014(4) 0.032(5) 0.000 -0.010(4) 0.000 
O1W 0.044(6) 0.042(6) 0.039(6) 0.000 -0.003(5) 0.000 
C1 0.018(4) 0.013(3) 0.035(4) -0.003(3) -0.006(3) 0.008(3) 
C2 0.020(4) 0.017(4) 0.045(5) -0.007(4) 0.005(4) 0.005(3) 
C3 0.026(4) 0.016(4) 0.033(5) -0.001(3) 0.007(4) -0.001(3) 
C4 0.024(4) 0.009(3) 0.022(4) -0.002(3) 0.000(3) 0.003(3) 
C5 0.022(4) 0.018(4) 0.025(4) 0.001(3) 0.007(3) 0.003(3) 
C6 0.031(4) 0.016(4) 0.037(5) 0.006(4) 0.007(4) -0.002(3) 
C7 0.032(4) 0.006(3) 0.028(4) 0.003(3) 0.009(3) 0.006(3) 
C8 0.034(5) 0.029(5) 0.024(4) 0.010(4) -0.003(4) 0.015(4) 
C9 0.033(5) 0.036(5) 0.031(5) 0.005(4) 0.015(4) 0.008(4) 
C10 0.029(4) 0.036(5) 0.033(5) 0.013(4) 0.012(4) 0.007(4) 

_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 
Eu1 O4 2.296(7) 2_564 ? 
Eu1 O4 2.296(7) 8_665 ? 
Eu1 O6 2.385(7) 7_575 ? 
Eu1 O6 2.385(7) . ? 
Eu1 O2 2.392(6) 7_575 ? 
Eu1 O2 2.392(6) . ? 
Eu1 O1W 2.551(13) . ? 
Eu1 O2W 2.812(10) . ? 
Eu1 O3W 3.109(12) . ? 
Eu2 O5 2.353(6) 8_666 ? 
Eu2 O5 2.353(6) 2_565 ? 
Eu2 O7 2.360(7) . ? 
Eu2 O7 2.360(7) 7_575 ? 
Eu2 O3 2.433(6) 6_557 ? 
Eu2 O3 2.433(6) 4_466 ? 
Eu2 O3W 2.526(9) . ? 
Eu2 O2W 2.527(10) 1_556 ? 
S1 O3 1.440(6) . ? 
S1 O2 1.455(7) . ? 
S1 O1 1.463(8) . ? 
S1 C1 1.771(8) . ? 
S2 O6 1.381(8) . ? 
S2 O7 1.408(8) . ? 
S2 O8 1.568(14) . ? 
S2 C8 1.676(10) . ? 
O3 Eu2 2.433(6) 6_657 ? 
O4 C7 1.264(11) . ? 
O4 Eu1 2.296(7) 2_565 ? 
O5 C7 1.251(11) . ? 
O5 Eu2 2.353(6) 2_564 ? 
O2W Eu2 2.527(10) 1_554 ? 
C1 C2 1.365(13) . ? 
C1 C6 1.395(13) . ? 
C2 C3 1.390(12) . ? 
C3 C4 1.391(12) . ? 
C4 C5 1.378(11) . ? 
C4 C7 1.504(10) . ? 
C5 C6 1.406(12) . ? 
C8 C10 1.373(13) 5_566 ? 
C8 C9 1.380(14) . ? 
C9 C10 1.385(15) . ? 
C10 C8 1.373(13) 5_566 ? 

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 
O4 Eu1 O4 86.5(4) 2_564 8_665 ? 
O4 Eu1 O6 138.5(3) 2_564 7_575 ? 
O4 Eu1 O6 77.8(3) 8_665 7_575 ? 
O4 Eu1 O6 77.8(3) 2_564 . ? 
O4 Eu1 O6 138.5(3) 8_665 . ? 
O6 Eu1 O6 88.9(4) 7_575 . ? 
O4 Eu1 O2 140.1(3) 2_564 7_575 ? 
O4 Eu1 O2 82.4(2) 8_665 7_575 ? 
O6 Eu1 O2 75.8(3) 7_575 7_575 ? 
O6 Eu1 O2 132.4(3) . 7_575 ? 
O4 Eu1 O2 82.4(2) 2_564 . ? 
O4 Eu1 O2 140.1(3) 8_665 . ? 
O6 Eu1 O2 132.4(3) 7_575 . ? 
O6 Eu1 O2 75.8(3) . . ? 
O2 Eu1 O2 82.0(3) 7_575 . ? 
O4 Eu1 O1W 68.8(3) 2_564 . ? 
O4 Eu1 O1W 68.8(3) 8_665 . ? 
O6 Eu1 O1W 135.54(18) 7_575 . ? 
O6 Eu1 O1W 135.54(18) . . ? 
O2 Eu1 O1W 71.5(3) 7_575 . ? 
O2 Eu1 O1W 71.5(3) . . ? 
O4 Eu1 O2W 70.7(2) 2_564 . ? 
O4 Eu1 O2W 70.7(2) 8_665 . ? 
O6 Eu1 O2W 67.9(2) 7_575 . ? 
O6 Eu1 O2W 67.9(2) . . ? 
O2 Eu1 O2W 138.29(17) 7_575 . ? 
O2 Eu1 O2W 138.29(17) . . ? 
O1W Eu1 O2W 123.2(3) . . ? 
O4 Eu1 O3W 136.31(19) 2_564 . ? 
O4 Eu1 O3W 136.31(19) 8_665 . ? 
O6 Eu1 O3W 63.9(2) 7_575 . ? 
O6 Eu1 O3W 63.9(2) . . ? 
O2 Eu1 O3W 68.9(2) 7_575 . ? 
O2 Eu1 O3W 68.9(2) . . ? 
O1W Eu1 O3W 126.6(3) . . ? 
O2W Eu1 O3W 110.2(3) . . ? 
O5 Eu2 O5 110.5(4) 8_666 2_565 ? 
O5 Eu2 O7 144.4(3) 8_666 . ? 
O5 Eu2 O7 76.6(3) 2_565 . ? 
O5 Eu2 O7 76.6(3) 8_666 7_575 ? 
O5 Eu2 O7 144.4(3) 2_565 7_575 ? 
O7 Eu2 O7 78.9(4) . 7_575 ? 
O5 Eu2 O3 139.5(3) 8_666 6_557 ? 
O5 Eu2 O3 76.7(2) 2_565 6_557 ? 
O7 Eu2 O3 75.9(2) . 6_557 ? 
O7 Eu2 O3 121.4(2) 7_575 6_557 ? 
O5 Eu2 O3 76.7(2) 8_666 4_466 ? 
O5 Eu2 O3 139.5(3) 2_565 4_466 ? 
O7 Eu2 O3 121.4(2) . 4_466 ? 
O7 Eu2 O3 75.9(2) 7_575 4_466 ? 
O3 Eu2 O3 74.0(3) 6_557 4_466 ? 
O5 Eu2 O3W 71.3(2) 8_666 . ? 
O5 Eu2 O3W 71.3(2) 2_565 . ? 
O7 Eu2 O3W 78.9(3) . . ? 
O7 Eu2 O3W 78.9(3) 7_575 . ? 
O3 Eu2 O3W 142.97(15) 6_557 . ? 
O3 Eu2 O3W 142.97(15) 4_466 . ? 
O5 Eu2 O2W 72.4(2) 8_666 1_556 ? 
O5 Eu2 O2W 72.4(2) 2_565 1_556 ? 
O7 Eu2 O2W 139.64(18) . 1_556 ? 
O7 Eu2 O2W 139.64(18) 7_575 1_556 ? 
O3 Eu2 O2W 72.3(2) 6_557 1_556 ? 
O3 Eu2 O2W 72.3(2) 4_466 1_556 ? 
O3W Eu2 O2W 113.7(4) . 1_556 ? 
O3 S1 O2 110.7(4) . . ? 
O3 S1 O1 114.1(5) . . ? 
O2 S1 O1 112.0(5) . . ? 
O3 S1 C1 105.7(4) . . ? 
O2 S1 C1 106.4(4) . . ? 
O1 S1 C1 107.3(5) . . ? 
O6 S2 O7 115.0(5) . . ? 
O6 S2 O8 106.3(7) . . ? 
O7 S2 O8 108.0(7) . . ? 
O6 S2 C8 109.9(5) . . ? 
O7 S2 C8 109.9(5) . . ? 
O8 S2 C8 107.4(7) . . ? 
S1 O2 Eu1 153.4(4) . . ? 
S1 O3 Eu2 153.1(4) . 6_657 ? 
C7 O4 Eu1 149.3(6) . 2_565 ? 
C7 O5 Eu2 141.0(6) . 2_564 ? 
S2 O6 Eu1 154.3(5) . . ? 
S2 O7 Eu2 148.6(5) . . ? 
Eu2 O3W Eu1 127.0(4) . . ? 
Eu2 O2W Eu1 123.5(4) 1_554 . ? 
C2 C1 C6 121.4(8) . . ? 
C2 C1 S1 119.2(7) . . ? 
C6 C1 S1 119.4(7) . . ? 
C1 C2 C3 120.0(8) . . ? 
C2 C3 C4 119.8(8) . . ? 
C5 C4 C3 120.0(7) . . ? 
C5 C4 C7 120.9(7) . . ? 
C3 C4 C7 119.2(8) . . ? 
C4 C5 C6 120.5(8) . . ? 
C1 C6 C5 118.1(8) . . ? 
O5 C7 O4 125.5(8) . . ? 
O5 C7 C4 117.3(8) . . ? 
O4 C7 C4 116.8(8) . . ? 
C10 C8 C9 122.3(10) 5_566 . ? 
C10 C8 S2 120.2(8) 5_566 . ? 
C9 C8 S2 117.1(8) . . ? 
C8 C9 C10 118.4(9) . . ? 
C8 C10 C9 119.2(9) 5_566 . ? 

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 
O3 S1 O2 Eu1 -84.9(11) . . . . ? 
O1 S1 O2 Eu1 43.7(11) . . . . ? 
C1 S1 O2 Eu1 160.7(9) . . . . ? 
O4 Eu1 O2 S1 -176.2(11) 2_564 . . . ? 
O4 Eu1 O2 S1 108.5(10) 8_665 . . . ? 
O6 Eu1 O2 S1 -21.8(12) 7_575 . . . ? 
O6 Eu1 O2 S1 -96.9(10) . . . . ? 
O2 Eu1 O2 S1 40.6(12) 7_575 . . . ? 
O1W Eu1 O2 S1 113.7(11) . . . . ? 
O2W Eu1 O2 S1 -126.8(10) . . . . ? 
O3W Eu1 O2 S1 -29.8(10) . . . . ? 
O2 S1 O3 Eu2 111.0(9) . . . 6_657 ? 
O1 S1 O3 Eu2 -16.5(11) . . . 6_657 ? 
C1 S1 O3 Eu2 -134.2(9) . . . 6_657 ? 
O7 S2 O6 Eu1 -58.3(13) . . . . ? 
O8 S2 O6 Eu1 61.2(14) . . . . ? 
C8 S2 O6 Eu1 177.1(10) . . . . ? 
O4 Eu1 O6 S2 -124.8(12) 2_564 . . . ? 
O4 Eu1 O6 S2 -54.5(13) 8_665 . . . ? 
O6 Eu1 O6 S2 15.7(14) 7_575 . . . ? 
O2 Eu1 O6 S2 85.2(12) 7_575 . . . ? 
O2 Eu1 O6 S2 150.1(12) . . . . ? 
O1W Eu1 O6 S2 -166.4(11) . . . . ? 
O2W Eu1 O6 S2 -50.9(12) . . . . ? 
O3W Eu1 O6 S2 77.0(12) . . . . ? 
O6 S2 O7 Eu2 -7.2(12) . . . . ? 
O8 S2 O7 Eu2 -125.8(10) . . . . ? 
C8 S2 O7 Eu2 117.4(9) . . . . ? 
O5 Eu2 O7 S2 29.2(12) 8_666 . . . ? 
O5 Eu2 O7 S2 -77.5(9) 2_565 . . . ? 
O7 Eu2 O7 S2 76.4(10) 7_575 . . . ? 
O3 Eu2 O7 S2 -156.9(10) 6_557 . . . ? 
O3 Eu2 O7 S2 142.1(9) 4_466 . . . ? 
O3W Eu2 O7 S2 -4.3(9) . . . . ? 
O2W Eu2 O7 S2 -118.1(9) 1_556 . . . ? 
O5 Eu2 O3W Eu1 -119.8(2) 8_666 . . . ? 
O5 Eu2 O3W Eu1 119.8(2) 2_565 . . . ? 
O7 Eu2 O3W Eu1 40.35(19) . . . . ? 
O7 Eu2 O3W Eu1 -40.35(19) 7_575 . . . ? 
O3 Eu2 O3W Eu1 88.2(5) 6_557 . . . ? 
O3 Eu2 O3W Eu1 -88.2(5) 4_466 . . . ? 
O2W Eu2 O3W Eu1 180.0 1_556 . . . ? 
O4 Eu1 O3W Eu2 -82.8(3) 2_564 . . . ? 
O4 Eu1 O3W Eu2 82.8(3) 8_665 . . . ? 
O6 Eu1 O3W Eu2 51.2(2) 7_575 . . . ? 
O6 Eu1 O3W Eu2 -51.2(2) . . . . ? 
O2 Eu1 O3W Eu2 135.29(18) 7_575 . . . ? 
O2 Eu1 O3W Eu2 -135.29(18) . . . . ? 
O1W Eu1 O3W Eu2 180.0 . . . . ? 
O2W Eu1 O3W Eu2 0.0 . . . . ? 
O4 Eu1 O2W Eu2 -46.6(2) 2_564 . . 1_554 ? 
O4 Eu1 O2W Eu2 46.6(2) 8_665 . . 1_554 ? 
O6 Eu1 O2W Eu2 130.9(2) 7_575 . . 1_554 ? 
O6 Eu1 O2W Eu2 -130.9(2) . . . 1_554 ? 
O2 Eu1 O2W Eu2 99.5(4) 7_575 . . 1_554 ? 
O2 Eu1 O2W Eu2 -99.5(4) . . . 1_554 ? 
O1W Eu1 O2W Eu2 0.0 . . . 1_554 ? 
O3W Eu1 O2W Eu2 180.0 . . . 1_554 ? 
O3 S1 C1 C2 146.0(8) . . . . ? 
O2 S1 C1 C2 -96.2(8) . . . . ? 
O1 S1 C1 C2 23.9(9) . . . . ? 
O3 S1 C1 C6 -32.2(9) . . . . ? 
O2 S1 C1 C6 85.6(8) . . . . ? 
O1 S1 C1 C6 -154.4(8) . . . . ? 
C6 C1 C2 C3 2.2(15) . . . . ? 
S1 C1 C2 C3 -176.0(8) . . . . ? 
C1 C2 C3 C4 -0.8(15) . . . . ? 
C2 C3 C4 C5 -2.2(14) . . . . ? 
C2 C3 C4 C7 176.4(9) . . . . ? 
C3 C4 C5 C6 3.9(14) . . . . ? 
C7 C4 C5 C6 -174.7(9) . . . . ? 
C2 C1 C6 C5 -0.5(15) . . . . ? 
S1 C1 C6 C5 177.7(7) . . . . ? 
C4 C5 C6 C1 -2.5(14) . . . . ? 
Eu2 O5 C7 O4 1.4(18) 2_564 . . . ? 
Eu2 O5 C7 C4 174.0(7) 2_564 . . . ? 
Eu1 O4 C7 O5 48.4(19) 2_565 . . . ? 
Eu1 O4 C7 C4 -124.2(11) 2_565 . . . ? 
C5 C4 C7 O5 -5.9(13) . . . . ? 
C3 C4 C7 O5 175.5(9) . . . . ? 
C5 C4 C7 O4 167.4(9) . . . . ? 
C3 C4 C7 O4 -11.2(13) . . . . ? 
O6 S2 C8 C10 -13.6(11) . . . 5_566 ? 
O7 S2 C8 C10 -141.1(9) . . . 5_566 ? 
O8 S2 C8 C10 101.7(10) . . . 5_566 ? 
O6 S2 C8 C9 172.8(8) . . . . ? 
O7 S2 C8 C9 45.2(10) . . . . ? 
O8 S2 C8 C9 -72.0(11) . . . . ? 
C10 C8 C9 C10 -1.1(18) 5_566 . . . ? 
S2 C8 C9 C10 172.4(9) . . . . ? 
C8 C9 C10 C8 1.1(18) . . . 5_566 ? 

_diffrn_measured_fraction_theta_max    0.932 
_diffrn_reflns_theta_full              29.55 
_diffrn_measured_fraction_theta_full   0.932 
_refine_diff_density_max    3.704 
_refine_diff_density_min   -3.021 
_refine_diff_density_rms    0.298 
#=====================================================
data_2 

_database_code_CSD	153700


_audit_creation_method            SHELXL-97 
_chemical_name_systematic 
; 
? 
; 
_chemical_name_common             ? 
_chemical_melting_point           ? 
_chemical_formula_moiety          ? 
_chemical_formula_sum 
'C20 H18 Gd2 O19 S4' 
_chemical_formula_weight          1005.12 

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' 
'Gd'  'Gd'  -0.1653   3.9035 
'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' 
'S'  'S'   0.1246   0.1234 
'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4' 

_symmetry_cell_setting            Orthohrombic 
_symmetry_space_group_name_H-M    Pnma 

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

_cell_length_a                    15.855(2) 
_cell_length_b                    20.492(3) 
_cell_length_c                    8.1388(11) 
_cell_angle_alpha                 90.00 
_cell_angle_beta                  90.00 
_cell_angle_gamma                 90.00 
_cell_volume                      2644.3(6) 
_cell_formula_units_Z             4 
_cell_measurement_temperature     293(2) 
_cell_measurement_reflns_used     ? 
_cell_measurement_theta_min       ? 
_cell_measurement_theta_max       ? 

_exptl_crystal_description        block 
_exptl_crystal_colour             pale-yellow 
_exptl_crystal_size_max           ? 
_exptl_crystal_size_mid           ? 
_exptl_crystal_size_min           ? 
_exptl_crystal_density_meas       ? 
_exptl_crystal_density_diffrn     2.525 
_exptl_crystal_density_method     'not measured' 
_exptl_crystal_F_000              1928 
_exptl_absorpt_coefficient_mu     5.383 
_exptl_absorpt_correction_type    ? 
_exptl_absorpt_correction_T_min   ? 
_exptl_absorpt_correction_T_max   ? 
_exptl_absorpt_process_details    ? 

_exptl_special_details 
; 
? 
; 

_diffrn_ambient_temperature       293(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   ? 
_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             10421 
_diffrn_reflns_av_R_equivalents   0.0584 
_diffrn_reflns_av_sigmaI/netI     0.0341 
_diffrn_reflns_limit_h_min        -18 
_diffrn_reflns_limit_h_max        18 
_diffrn_reflns_limit_k_min        -10 
_diffrn_reflns_limit_k_max        24 
_diffrn_reflns_limit_l_min        -9 
_diffrn_reflns_limit_l_max        9 
_diffrn_reflns_theta_min          1.99 
_diffrn_reflns_theta_max          25.03 
_reflns_number_total              2407 
_reflns_number_gt                 2125 
_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^+0.0000P] 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_number_reflns          2407 
_refine_ls_number_parameters      211 
_refine_ls_number_restraints      0 
_refine_ls_R_factor_all           0.0965 
_refine_ls_R_factor_gt            0.0877 
_refine_ls_wR_factor_ref          0.2649 
_refine_ls_wR_factor_gt           0.2598 
_refine_ls_goodness_of_fit_ref    2.125 
_refine_ls_restrained_S_all       2.125 
_refine_ls_shift/su_max           2.006 
_refine_ls_shift/su_mean          0.015 

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 0.33472(8) 0.2500 1.19886(13) 0.0219(4) Uani 1 2 d S . . 
Gd2 Gd 0.00015(6) 0.2500 0.82643(13) 0.0178(4) Uani 1 2 d S . . 
S1 S 0.1921(3) 0.1506(2) 0.9330(6) 0.0323(11) Uani 1 1 d . . . 
S2 S 0.0002(5) 0.3534(3) 0.4645(9) 0.070(2) Uani 1 1 d . . . 
O11 O 0.0284(8) 0.3211(6) 0.6114(14) 0.031(3) Uani 1 1 d . . . 
O10 O 0.1105(7) 0.1787(5) 0.9349(14) 0.026(2) Uani 1 1 d . . . 
O9 O -0.0736(8) 0.3316(6) 0.4007(15) 0.038(3) Uani 1 1 d . . . 
O8 O -0.0116(10) 0.2500 1.130(2) 0.025(4) Uani 1 2 d S . . 
O7 O 0.1747(8) -0.1739(6) 0.9025(15) 0.035(3) Uani 1 1 d . . . 
O6 O 0.0711(8) -0.1562(6) 1.0951(14) 0.039(3) Uani 1 1 d . . . 
O5 O 0.2421(7) 0.1754(5) 1.0675(16) 0.031(3) Uani 1 1 d . . . 
O4 O 0.0682(19) 0.3397(14) 0.329(3) 0.133(11) Uani 1 1 d . . . 
O3 O 0.2364(12) 0.1584(9) 0.774(2) 0.074(6) Uani 1 1 d . . . 
O2 O 0.1861(11) 0.2500 1.3510(16) 0.020(3) Uani 1 2 d S . . 
O1 O -0.1457(11) 0.2500 0.6926(18) 0.023(4) Uani 1 2 d S . . 
C10 C 0.1756(10) 0.0654(8) 0.971(2) 0.028(4) Uani 1 1 d . . . 
C9 C 0.1336(13) -0.1371(7) 1.0047(17) 0.026(4) Uani 1 1 d . . . 
C8 C 0.1498(11) -0.0661(8) 0.9993(18) 0.023(4) Uani 1 1 d . . . 
C7 C 0.2185(10) -0.0422(7) 0.9091(17) 0.020(3) Uani 1 1 d . . . 
H7A H 0.2559 -0.0703 0.8569 0.024 Uiso 1 1 calc R . . 
C6 C 0.0999(10) -0.0241(8) 1.0808(17) 0.024(3) Uani 1 1 d . . . 
H6A H 0.0573 -0.0406 1.1473 0.029 Uiso 1 1 calc R . . 
C3 C -0.0058(11) 0.4325(10) 0.492(2) 0.031(4) Uani 1 1 d . . . 
C5 C 0.2286(10) 0.0256(8) 0.900(2) 0.031(4) Uani 1 1 d . . . 
H5A H 0.2743 0.0427 0.8430 0.038 Uiso 1 1 calc R . . 
C4 C 0.1095(11) 0.0429(8) 1.070(2) 0.029(4) Uani 1 1 d . . . 
H4B H 0.0739 0.0714 1.1251 0.035 Uiso 1 1 calc R . . 
C2 C -0.0662(10) 0.4688(8) 0.4214(17) 0.023(3) Uani 1 1 d . . . 
H2A H -0.1109 0.4484 0.3685 0.028 Uiso 1 1 calc R . . 
C1 C 0.0624(10) 0.4626(8) 0.5739(18) 0.025(4) Uani 1 1 d . . . 
H1B H 0.1042 0.4375 0.6236 0.030 Uiso 1 1 calc R . . 

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 0.0295(7) 0.0079(6) 0.0285(7) 0.000 -0.0109(5) 0.000 
Gd2 0.0198(7) 0.0081(7) 0.0256(7) 0.000 -0.0042(4) 0.000 
S1 0.038(2) 0.023(2) 0.037(2) -0.0017(18) -0.006(2) -0.0015(18) 
S2 0.095(5) 0.055(4) 0.059(4) 0.010(3) -0.009(4) -0.017(4) 
O11 0.038(7) 0.032(6) 0.023(6) 0.015(5) -0.008(5) -0.009(6) 
O10 0.027(6) 0.015(5) 0.036(6) 0.001(5) -0.009(5) 0.004(5) 
O9 0.055(8) 0.021(6) 0.036(7) -0.005(5) -0.025(6) -0.008(6) 
O8 0.041(10) 0.012(8) 0.023(8) 0.000 0.000(7) 0.000 
O7 0.042(7) 0.029(6) 0.035(7) -0.012(5) -0.008(6) -0.003(6) 
O6 0.061(9) 0.030(7) 0.026(6) 0.000(5) 0.016(6) -0.019(6) 
O5 0.028(6) 0.023(5) 0.044(8) -0.008(5) -0.006(6) -0.003(5) 
O4 0.16(2) 0.12(2) 0.11(2) 0.033(16) 0.084(18) 0.05(2) 
O3 0.079(13) 0.055(11) 0.089(14) 0.004(9) 0.037(11) -0.019(10) 
O2 0.050(10) 0.009(7) 0.000(6) 0.000 0.006(6) 0.000 
O1 0.036(9) 0.000(7) 0.033(9) 0.000 -0.025(7) 0.000 
C10 0.021(8) 0.020(9) 0.043(10) 0.000(7) -0.020(8) -0.012(7) 
C9 0.062(11) 0.009(7) 0.008(7) -0.002(5) 0.009(7) -0.004(7) 
C8 0.037(9) 0.015(8) 0.017(8) 0.005(6) -0.004(6) -0.007(7) 
C7 0.030(8) 0.024(8) 0.008(6) 0.010(6) 0.004(6) -0.002(7) 
C6 0.029(8) 0.032(9) 0.010(7) -0.006(6) 0.003(6) -0.014(7) 
C3 0.027(9) 0.050(12) 0.017(8) -0.010(8) 0.008(7) 0.007(8) 
C5 0.024(9) 0.025(8) 0.045(11) 0.013(8) -0.001(8) -0.011(7) 
C4 0.043(10) 0.016(8) 0.027(9) -0.004(7) -0.005(8) 0.007(7) 
C2 0.024(8) 0.034(9) 0.012(7) -0.003(6) -0.004(6) -0.002(7) 
C1 0.035(9) 0.025(8) 0.014(8) -0.018(6) -0.015(7) 0.004(7) 

_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 O7 2.281(11) 7_666 ? 
Gd1 O7 2.281(11) 2 ? 
Gd1 O9 2.359(11) 6_657 ? 
Gd1 O9 2.359(11) 3_556 ? 
Gd1 O5 2.374(11) . ? 
Gd1 O5 2.374(11) 8_565 ? 
Gd1 O2 2.661(16) . ? 
Gd1 O8 2.807(16) 6_658 ? 
Gd2 O11 2.321(11) 8_565 ? 
Gd2 O11 2.321(11) . ? 
Gd2 O6 2.319(11) 5_557 ? 
Gd2 O6 2.319(11) 4_557 ? 
Gd2 O10 2.445(10) 8_565 ? 
Gd2 O10 2.445(10) . ? 
Gd2 O8 2.477(16) . ? 
Gd2 O1 2.556(15) . ? 
S1 O10 1.416(12) . ? 
S1 O5 1.444(12) . ? 
S1 O3 1.482(18) . ? 
S1 C10 1.791(17) . ? 
S2 O9 1.356(13) . ? 
S2 O11 1.438(12) . ? 
S2 O4 1.57(2) . ? 
S2 C3 1.64(2) . ? 
O9 Gd1 2.359(11) 6_557 ? 
O8 Gd1 2.807(16) 6_558 ? 
O7 C9 1.30(2) . ? 
O7 Gd1 2.281(11) 2_554 ? 
O6 C9 1.29(2) . ? 
O6 Gd2 2.319(11) 5_557 ? 
C10 C5 1.30(3) . ? 
C10 C4 1.40(2) . ? 
C9 C8 1.48(2) . ? 
C8 C6 1.34(2) . ? 
C8 C7 1.40(2) . ? 
C7 C5 1.40(2) . ? 
C7 H7A 0.9300 . ? 
C6 C4 1.38(2) . ? 
C6 H6A 0.9300 . ? 
C3 C2 1.34(2) . ? 
C3 C1 1.41(2) . ? 
C5 H5A 0.9300 . ? 
C4 H4B 0.9300 . ? 
C2 C1 1.41(2) 5_566 ? 
C2 H2A 0.9300 . ? 
C1 C2 1.41(2) 5_566 ? 
C1 H1B 0.9300 . ? 

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 
O7 Gd1 O7 86.3(7) 7_666 2 ? 
O7 Gd1 O9 78.8(4) 7_666 6_657 ? 
O7 Gd1 O9 140.8(5) 2 6_657 ? 
O7 Gd1 O9 140.8(5) 7_666 3_556 ? 
O7 Gd1 O9 78.8(4) 2 3_556 ? 
O9 Gd1 O9 90.3(6) 6_657 3_556 ? 
O7 Gd1 O5 136.7(4) 7_666 . ? 
O7 Gd1 O5 81.2(4) 2 . ? 
O9 Gd1 O5 133.1(5) 6_657 . ? 
O9 Gd1 O5 76.7(4) 3_556 . ? 
O7 Gd1 O5 81.2(4) 7_666 8_565 ? 
O7 Gd1 O5 136.7(4) 2 8_565 ? 
O9 Gd1 O5 76.7(4) 6_657 8_565 ? 
O9 Gd1 O5 133.1(5) 3_556 8_565 ? 
O5 Gd1 O5 80.2(6) . 8_565 ? 
O7 Gd1 O2 66.7(4) 7_666 . ? 
O7 Gd1 O2 66.7(4) 2 . ? 
O9 Gd1 O2 134.8(3) 6_657 . ? 
O9 Gd1 O2 134.8(3) 3_556 . ? 
O5 Gd1 O2 70.2(4) . . ? 
O5 Gd1 O2 70.2(4) 8_565 . ? 
O7 Gd1 O8 72.3(4) 7_666 6_658 ? 
O7 Gd1 O8 72.3(4) 2 6_658 ? 
O9 Gd1 O8 68.6(4) 6_657 6_658 ? 
O9 Gd1 O8 68.6(4) 3_556 6_658 ? 
O5 Gd1 O8 139.5(3) . 6_658 ? 
O5 Gd1 O8 139.5(3) 8_565 6_658 ? 
O2 Gd1 O8 122.5(5) . 6_658 ? 
O11 Gd2 O11 77.7(6) 8_565 . ? 
O11 Gd2 O6 77.4(4) 8_565 5_557 ? 
O11 Gd2 O6 145.3(4) . 5_557 ? 
O11 Gd2 O6 145.3(4) 8_565 4_557 ? 
O11 Gd2 O6 77.4(4) . 4_557 ? 
O6 Gd2 O6 111.9(7) 5_557 4_557 ? 
O11 Gd2 O10 120.6(4) 8_565 8_565 ? 
O11 Gd2 O10 76.0(4) . 8_565 ? 
O6 Gd2 O10 138.1(4) 5_557 8_565 ? 
O6 Gd2 O10 75.7(4) 4_557 8_565 ? 
O11 Gd2 O10 76.0(4) 8_565 . ? 
O11 Gd2 O10 120.6(4) . . ? 
O6 Gd2 O10 75.7(4) 5_557 . ? 
O6 Gd2 O10 138.1(4) 4_557 . ? 
O10 Gd2 O10 73.5(5) 8_565 . ? 
O11 Gd2 O8 140.1(3) 8_565 . ? 
O11 Gd2 O8 140.1(3) . . ? 
O6 Gd2 O8 71.9(3) 5_557 . ? 
O6 Gd2 O8 71.9(3) 4_557 . ? 
O10 Gd2 O8 72.2(4) 8_565 . ? 
O10 Gd2 O8 72.2(4) . . ? 
O11 Gd2 O1 81.6(4) 8_565 . ? 
O11 Gd2 O1 81.6(4) . . ? 
O6 Gd2 O1 71.1(4) 5_557 . ? 
O6 Gd2 O1 71.1(4) 4_557 . ? 
O10 Gd2 O1 143.2(2) 8_565 . ? 
O10 Gd2 O1 143.2(2) . . ? 
O8 Gd2 O1 110.9(5) . . ? 
O10 S1 O5 110.6(7) . . ? 
O10 S1 O3 113.5(10) . . ? 
O5 S1 O3 111.4(10) . . ? 
O10 S1 C10 105.0(7) . . ? 
O5 S1 C10 107.1(7) . . ? 
O3 S1 C10 108.8(10) . . ? 
O9 S2 O11 115.8(8) . . ? 
O9 S2 O4 105.4(15) . . ? 
O11 S2 O4 106.8(12) . . ? 
O9 S2 C3 109.2(9) . . ? 
O11 S2 C3 111.0(9) . . ? 
O4 S2 C3 108.3(13) . . ? 
S2 O11 Gd2 148.9(8) . . ? 
S1 O10 Gd2 153.2(7) . . ? 
S2 O9 Gd1 153.7(9) . 6_557 ? 
Gd2 O8 Gd1 124.1(6) . 6_558 ? 
C9 O7 Gd1 146.1(12) . 2_554 ? 
C9 O6 Gd2 141.3(11) . 5_557 ? 
S1 O5 Gd1 155.1(8) . . ? 
C5 C10 C4 121.9(16) . . ? 
C5 C10 S1 116.2(13) . . ? 
C4 C10 S1 122.0(14) . . ? 
O6 C9 O7 124.9(14) . . ? 
O6 C9 C8 116.6(14) . . ? 
O7 C9 C8 117.7(14) . . ? 
C6 C8 C7 119.4(15) . . ? 
C6 C8 C9 120.9(15) . . ? 
C7 C8 C9 119.7(15) . . ? 
C8 C7 C5 117.6(15) . . ? 
C8 C7 H7A 121.2 . . ? 
C5 C7 H7A 121.2 . . ? 
C8 C6 C4 122.5(16) . . ? 
C8 C6 H6A 118.7 . . ? 
C4 C6 H6A 118.7 . . ? 
C2 C3 C1 120.5(18) . . ? 
C2 C3 S2 121.9(15) . . ? 
C1 C3 S2 116.9(14) . . ? 
C10 C5 C7 121.6(16) . . ? 
C10 C5 H5A 119.2 . . ? 
C7 C5 H5A 119.2 . . ? 
C10 C4 C6 116.6(16) . . ? 
C10 C4 H4B 121.7 . . ? 
C6 C4 H4B 121.7 . . ? 
C3 C2 C1 120.7(16) . 5_566 ? 
C3 C2 H2A 119.6 . . ? 
C1 C2 H2A 119.6 5_566 . ? 
C3 C1 C2 118.7(16) . 5_566 ? 
C3 C1 H1B 120.6 . . ? 
C2 C1 H1B 120.6 5_566 . ? 

_diffrn_measured_fraction_theta_max    1.000 
_diffrn_reflns_theta_full              25.03 
_diffrn_measured_fraction_theta_full   1.000 
_refine_diff_density_max    5.692 
_refine_diff_density_min   -2.301 
_refine_diff_density_rms    0.444 
#=============================================END