# Electronic Supplementary Material (ESI) for Dalton Transactions.
# This journal is © The Royal Society of Chemistry 2017

####################################################################### 
# 
# This file contains crystal structure data downloaded from the 
# Cambridge Structural Database (CSD) hosted by the Cambridge 
# Crystallographic Data Centre (CCDC).
# 
# Full information about CCDC data access policies and citation 
# guidelines are available at http://www.ccdc.cam.ac.uk/access/V1 
# 
# Audit and citation data items may have been added by the CCDC. 
# Please retain this information to preserve the provenance of 
# this file and to allow appropriate attribution of the data. 
# 
#######################################################################

data_monoc
_database_code_depnum_ccdc_archive 'CCDC 1431805'
_audit_update_record             
;
2015-10-17 deposited with the CCDC.
2017-03-28 downloaded from the CCDC.
;

_audit_creation_method           SHELXL-97
_chemical_name_systematic        'manganesesulfite complex'
_chemical_name_common            ?
_chemical_melting_point          ?
_chemical_formula_moiety         'C H2 Mn Na O6 S'
_chemical_formula_sum            'C H2 Mn Na O6 S'
_chemical_formula_weight         220.02

loop_
_atom_type_symbol
_atom_type_description
_atom_type_scat_dispersion_real
_atom_type_scat_dispersion_imag
_atom_type_scat_source
C C 0.0033 0.0016 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
H H 0.0000 0.0000 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
N N 0.0061 0.0033 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
O O 0.0106 0.0060 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Na Na 0.0362 0.0249 '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'
Mn Mn 0.3368 0.7283 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'

_symmetry_cell_setting           Monoclinic
_symmetry_space_group_name_H-M   'C2/c  '

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

_cell_length_a                   17.1457(4)
_cell_length_b                   6.3087(2)
_cell_length_c                   11.5051(4)
_cell_angle_alpha                90.00
_cell_angle_beta                 115.424(2)
_cell_angle_gamma                90.00
_cell_volume                     1123.95(6)
_cell_formula_units_Z            8
_cell_measurement_temperature    296(2)
_cell_measurement_reflns_used    7260
_cell_measurement_theta_min      3.49
_cell_measurement_theta_max      30.48

_exptl_crystal_description       block
_exptl_crystal_colour            colorless
_exptl_crystal_size_max          0.26
_exptl_crystal_size_mid          0.23
_exptl_crystal_size_min          0.17
_exptl_crystal_density_meas      ?
_exptl_crystal_density_diffrn    2.600
_exptl_crystal_density_method    'not measured'
_exptl_crystal_F_000             864
_exptl_absorpt_coefficient_mu    2.759
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_correction_T_min  0.3760
_exptl_absorpt_correction_T_max  0.7461
_exptl_absorpt_process_details   sadabs

_exptl_special_details           
;
 ?
;

_diffrn_ambient_temperature      296(2)
_diffrn_radiation_wavelength     0.71073
_diffrn_radiation_type           MoK\a
_diffrn_radiation_source         'fine-focus sealed tube'
_diffrn_radiation_monochromator  graphite
_diffrn_measurement_device_type  'Bruker APEX-II CCD'
_diffrn_measurement_method       'φ and ω scans'
_diffrn_detector_area_resol_mean ?
_diffrn_standards_number         ?
_diffrn_standards_interval_count ?
_diffrn_standards_interval_time  ?
_diffrn_standards_decay_%        ?
_diffrn_reflns_number            9221
_diffrn_reflns_av_R_equivalents  0.0379
_diffrn_reflns_av_sigmaI/netI    0.0243
_diffrn_reflns_limit_h_min       -24
_diffrn_reflns_limit_h_max       24
_diffrn_reflns_limit_k_min       -8
_diffrn_reflns_limit_k_max       8
_diffrn_reflns_limit_l_min       -16
_diffrn_reflns_limit_l_max       16
_diffrn_reflns_theta_min         2.63
_diffrn_reflns_theta_max         30.48
_reflns_number_total             1701
_reflns_number_gt                1650
_reflns_threshold_expression     >2sigma(I)

_computing_data_collection       'Bruker APEX2'
_computing_cell_refinement       'Bruker SAINT'
_computing_data_reduction        'Bruker SAINT'
_computing_structure_solution    'SHELXS-97 (Sheldrick, 2008)'
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 2008)'
_computing_molecular_graphics    'Bruker SHELXTL'
_computing_publication_material  'Bruker SHELXTL'

_refine_special_details          
;
 Refinement of F² against ALL reflections.  The weighted R-factor wR and
 goodness of fit S are based on F², conventional R-factors R are based
 on F, with F set to zero for negative F². The threshold expression of
 F² > 2sigma(F²) is used only for calculating R-factors(gt) etc. and is
 not relevant to the choice of reflections for refinement.  R-factors based
 on F² 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/[σ²(Fo²)+(0.0080P)²+2.8050P] where P=(Fo²+2Fc²)/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     SHELXL
_refine_ls_extinction_coef       0.0115(4)
_refine_ls_extinction_expression Fc^*^=kFc[1+0.001xFc²λ³/sin(2θ)]^-1/4^
_refine_ls_number_reflns         1701
_refine_ls_number_parameters     100
_refine_ls_number_restraints     1
_refine_ls_R_factor_all          0.0248
_refine_ls_R_factor_gt           0.0236
_refine_ls_wR_factor_ref         0.0554
_refine_ls_wR_factor_gt          0.0550
_refine_ls_goodness_of_fit_ref   1.161
_refine_ls_restrained_S_all      1.161
_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
Mn1 Mn 0.186206(16) 0.10346(4) 0.36335(2) 0.01172(9) Uani 1 1 d . . .
S1 S 0.25674(3) -0.12556(6) 0.64134(4) 0.01123(10) Uani 1 1 d . . .
O4 O 0.26791(8) 0.07586(19) 0.57326(12) 0.0158(2) Uani 1 1 d . . .
O1 O 0.07386(8) 0.1351(2) 0.41147(12) 0.0187(3) Uani 1 1 d . . .
C1 C 0.00112(11) 0.1327(3) 0.31778(16) 0.0147(3) Uani 1 1 d . . .
O1W O -0.05767(10) 0.3681(3) 0.54264(16) 0.0265(3) Uani 1 1 d D . .
O2 O -0.07049(9) 0.1322(3) 0.32325(13) 0.0240(3) Uani 1 1 d . . .
Na1 Na 0.08755(5) 0.31097(17) 0.59844(8) 0.0307(2) Uani 1 1 d . . .
O5 O 0.27335(8) -0.05194(19) 0.77600(12) 0.0152(2) Uani 1 1 d . . .
O3 O 0.33678(8) -0.25797(19) 0.66349(12) 0.0159(2) Uani 1 1 d . . .
H2W1 H -0.079(2) 0.284(4) 0.485(2) 0.047(9) Uiso 1 1 d D . .
H1W1 H -0.086(2) 0.348(5) 0.584(3) 0.041(8) Uiso 1 1 d . . .

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
Mn1 0.01279(13) 0.01172(13) 0.01077(13) -0.00056(8) 0.00516(10) -0.00019(8)
S1 0.01373(19) 0.00974(17) 0.01033(18) 0.00035(12) 0.00528(14) -0.00069(12)
O4 0.0230(6) 0.0109(5) 0.0114(5) 0.0024(4) 0.0055(5) -0.0020(4)
O1 0.0139(6) 0.0276(7) 0.0130(6) -0.0026(5) 0.0042(5) -0.0004(5)
C1 0.0151(7) 0.0162(7) 0.0133(7) -0.0015(5) 0.0066(6) -0.0004(6)
O1W 0.0239(7) 0.0332(8) 0.0267(8) -0.0071(6) 0.0151(6) -0.0083(6)
O2 0.0143(6) 0.0435(9) 0.0159(6) -0.0059(6) 0.0080(5) -0.0027(6)
Na1 0.0215(4) 0.0495(6) 0.0185(4) -0.0071(4) 0.0060(3) -0.0024(4)
O5 0.0202(6) 0.0161(5) 0.0122(5) -0.0014(4) 0.0098(5) 0.0003(5)
O3 0.0197(6) 0.0124(5) 0.0191(6) 0.0009(4) 0.0115(5) 0.0031(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
Mn1 O5 2.1535(12) 6 ?
Mn1 O4 2.1797(12) 7_556 ?
Mn1 O3 2.2129(12) 7_546 ?
Mn1 O4 2.2181(13) . ?
Mn1 O2 2.2183(14) 2 ?
Mn1 O1 2.2299(13) . ?
S1 O5 1.5225(12) . ?
S1 O3 1.5315(13) . ?
S1 O4 1.5471(12) . ?
S1 Na1 3.0639(9) 4_546 ?
O4 Mn1 2.1797(12) 7_556 ?
O1 C1 1.250(2) . ?
O1 Na1 2.3410(15) . ?
C1 O2 1.256(2) . ?
C1 C1 1.544(3) 2 ?
C1 Na1 3.1272(19) . ?
O1W Na1 2.3171(18) . ?
O1W Na1 2.507(2) 5_566 ?
O2 Mn1 2.2183(14) 2 ?
O2 Na1 2.9901(19) 5_556 ?
Na1 O5 2.3589(15) 4_556 ?
Na1 O1W 2.507(2) 5_566 ?
Na1 O3 2.5146(15) 4_556 ?
Na1 O2 2.9900(19) 5_556 ?
Na1 S1 3.0639(9) 4_556 ?
Na1 Na1 3.7409(19) 5_566 ?
O5 Mn1 2.1535(12) 6_556 ?
O5 Na1 2.3588(15) 4_546 ?
O3 Mn1 2.2129(12) 7_546 ?
O3 Na1 2.5146(15) 4_546 ?

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
O5 Mn1 O4 94.19(5) 6 7_556 ?
O5 Mn1 O3 84.48(5) 6 7_546 ?
O4 Mn1 O3 167.95(5) 7_556 7_546 ?
O5 Mn1 O4 104.82(5) 6 . ?
O4 Mn1 O4 74.93(5) 7_556 . ?
O3 Mn1 O4 93.78(5) 7_546 . ?
O5 Mn1 O2 94.14(5) 6 2 ?
O4 Mn1 O2 107.00(5) 7_556 2 ?
O3 Mn1 O2 85.05(5) 7_546 2 ?
O4 Mn1 O2 160.82(5) . 2 ?
O5 Mn1 O1 167.36(5) 6 . ?
O4 Mn1 O1 93.45(5) 7_556 . ?
O3 Mn1 O1 90.10(5) 7_546 . ?
O4 Mn1 O1 86.89(5) . . ?
O2 Mn1 O1 73.97(5) 2 . ?
O5 S1 O3 103.55(7) . . ?
O5 S1 O4 104.77(7) . . ?
O3 S1 O4 103.62(7) . . ?
O5 S1 Na1 48.83(5) . 4_546 ?
O3 S1 Na1 54.80(5) . 4_546 ?
O4 S1 Na1 110.90(5) . 4_546 ?
S1 O4 Mn1 134.29(7) . 7_556 ?
S1 O4 Mn1 117.27(7) . . ?
Mn1 O4 Mn1 105.07(5) 7_556 . ?
C1 O1 Mn1 115.67(11) . . ?
C1 O1 Na1 117.87(11) . . ?
Mn1 O1 Na1 120.93(6) . . ?
O1 C1 O2 126.26(16) . . ?
O1 C1 C1 117.01(19) . 2 ?
O2 C1 C1 116.72(19) . 2 ?
Na1 O1W Na1 101.63(6) . 5_566 ?
C1 O2 Mn1 116.05(11) . 2 ?
C1 O2 Na1 103.98(12) . 5_556 ?
Mn1 O2 Na1 93.02(5) 2 5_556 ?
O1W Na1 O1 98.46(6) . . ?
O1W Na1 O5 142.78(7) . 4_556 ?
O1 Na1 O5 114.38(6) . 4_556 ?
O1W Na1 O1W 78.37(7) . 5_566 ?
O1 Na1 O1W 82.87(6) . 5_566 ?
O5 Na1 O1W 88.41(6) 4_556 5_566 ?
O1W Na1 O3 108.62(6) . 4_556 ?
O1 Na1 O3 136.07(6) . 4_556 ?
O5 Na1 O3 58.88(4) 4_556 4_556 ?
O1W Na1 O3 135.36(6) 5_566 4_556 ?
O1W Na1 O2 89.79(6) . 5_556 ?
O1 Na1 O2 81.34(5) . 5_556 ?
O5 Na1 O2 111.24(5) 4_556 5_556 ?
O1W Na1 O2 158.62(6) 5_566 5_556 ?
O3 Na1 O2 65.26(4) 4_556 5_556 ?
O1W Na1 S1 129.22(5) . 4_556 ?
O1 Na1 S1 131.41(5) . 4_556 ?
O5 Na1 S1 29.07(3) 4_556 4_556 ?
O1W Na1 S1 112.17(5) 5_566 4_556 ?
O3 Na1 S1 29.85(3) 4_556 4_556 ?
O2 Na1 S1 89.12(4) 5_556 4_556 ?
O1W Na1 C1 78.07(6) . . ?
O1 Na1 C1 20.70(4) . . ?
O5 Na1 C1 132.11(6) 4_556 . ?
O1W Na1 C1 75.37(5) 5_566 . ?
O3 Na1 C1 148.95(6) 4_556 . ?
O2 Na1 C1 84.87(5) 5_556 . ?
S1 Na1 C1 152.10(5) 4_556 . ?
O1W Na1 Na1 41.02(5) . 5_566 ?
O1 Na1 Na1 90.46(5) . 5_566 ?
O5 Na1 Na1 118.34(6) 4_556 5_566 ?
O1W Na1 Na1 37.35(4) 5_566 5_566 ?
O3 Na1 Na1 132.42(5) 4_556 5_566 ?
O2 Na1 Na1 128.44(5) 5_556 5_566 ?
S1 Na1 Na1 130.13(4) 4_556 5_566 ?
C1 Na1 Na1 72.71(4) . 5_566 ?
S1 O5 Mn1 124.38(7) . 6_556 ?
S1 O5 Na1 102.10(7) . 4_546 ?
Mn1 O5 Na1 112.36(6) 6_556 4_546 ?
S1 O3 Mn1 114.89(7) . 7_546 ?
S1 O3 Na1 95.36(6) . 4_546 ?
Mn1 O3 Na1 107.46(5) 7_546 4_546 ?

_diffrn_measured_fraction_theta_max 0.994
_diffrn_reflns_theta_full        30.48
_diffrn_measured_fraction_theta_full 0.994
_refine_diff_density_max         0.593
_refine_diff_density_min         -0.314
_refine_diff_density_rms         0.082
_exptl_crystal_recrystallization_method hydrothermal
####################################################################### 
# 
# This file contains crystal structure data downloaded from the 
# Cambridge Structural Database (CSD) hosted by the Cambridge 
# Crystallographic Data Centre (CCDC).
# 
# Full information about CCDC data access policies and citation 
# guidelines are available at http://www.ccdc.cam.ac.uk/access/V1 
# 
# Audit and citation data items may have been added by the CCDC. 
# Please retain this information to preserve the provenance of 
# this file and to allow appropriate attribution of the data. 
# 
#######################################################################

data_trip
_database_code_depnum_ccdc_archive 'CCDC 1431806'
_audit_update_record             
;
2015-10-17 deposited with the CCDC.
2017-03-28 downloaded from the CCDC.
;

_audit_creation_method           SHELXL-97
_chemical_name_systematic        'europium sulfite complex'
_chemical_name_common            ?
_chemical_melting_point          ?
_chemical_formula_moiety         'C2 H6 Eu Na O10 S'
_chemical_formula_sum            'C2 H6 Eu Na O10 S'
_chemical_formula_weight         397.08

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'
Na Na 0.0362 0.0249 '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           triclinic
_symmetry_space_group_name_H-M   P-1

loop_
_symmetry_equiv_pos_as_xyz
'x, y, z'
'-x, -y, -z'

_cell_length_a                   6.2787(3)
_cell_length_b                   8.4948(4)
_cell_length_c                   9.4543(4)
_cell_angle_alpha                89.165(3)
_cell_angle_beta                 72.524(2)
_cell_angle_gamma                69.150(2)
_cell_volume                     447.07(4)
_cell_formula_units_Z            2
_cell_measurement_temperature    100(2)
_cell_measurement_reflns_used    2689
_cell_measurement_theta_min      3.6
_cell_measurement_theta_max      30.5

_exptl_crystal_description       block
_exptl_crystal_colour            colourless
_exptl_crystal_size_max          0.25
_exptl_crystal_size_mid          0.22
_exptl_crystal_size_min          0.18
_exptl_crystal_density_meas      ?
_exptl_crystal_density_diffrn    2.950
_exptl_crystal_density_method    'not measured'
_exptl_crystal_F_000             376
_exptl_absorpt_coefficient_mu    7.337
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_correction_T_min  0.165
_exptl_absorpt_correction_T_max  0.270
_exptl_absorpt_process_details   sadabs

_exptl_special_details           
;
 ?
;

_diffrn_ambient_temperature      100(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  'Bruker APEX-II CCD'
_diffrn_measurement_method       'φ and ω scans'
_diffrn_detector_area_resol_mean ?
_diffrn_standards_number         ?
_diffrn_standards_interval_count ?
_diffrn_standards_interval_time  ?
_diffrn_standards_decay_%        ?
_diffrn_reflns_number            7972
_diffrn_reflns_av_R_equivalents  0.0215
_diffrn_reflns_av_sigmaI/netI    0.0229
_diffrn_reflns_limit_h_min       -8
_diffrn_reflns_limit_h_max       8
_diffrn_reflns_limit_k_min       -12
_diffrn_reflns_limit_k_max       12
_diffrn_reflns_limit_l_min       -13
_diffrn_reflns_limit_l_max       13
_diffrn_reflns_theta_min         3.62
_diffrn_reflns_theta_max         30.52
_reflns_number_total             2689
_reflns_number_gt                2625
_reflns_threshold_expression     >2sigma(I)

_computing_data_collection       'Bruker APEX2'
_computing_cell_refinement       'Bruker SAINT'
_computing_data_reduction        'Bruker SAINT'
_computing_structure_solution    'SHELXS-97 (Sheldrick, 2008)'
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 2008)'
_computing_molecular_graphics    'Bruker SHELXTL'
_computing_publication_material  'Bruker SHELXTL'

_refine_special_details          
;
 Refinement of F² against ALL reflections.  The weighted R-factor wR and
 goodness of fit S are based on F², conventional R-factors R are based
 on F, with F set to zero for negative F². The threshold expression of
 F² > 2sigma(F²) is used only for calculating R-factors(gt) etc. and is
 not relevant to the choice of reflections for refinement.  R-factors based
 on F² 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/[σ²(Fo²)+(0.0167P)²+0.4154P] where P=(Fo²+2Fc²)/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     SHELXL
_refine_ls_extinction_coef       0.0114(6)
_refine_ls_extinction_expression Fc^*^=kFc[1+0.001xFc²λ³/sin(2θ)]^-1/4^
_refine_ls_number_reflns         2689
_refine_ls_number_parameters     161
_refine_ls_number_restraints     9
_refine_ls_R_factor_all          0.0170
_refine_ls_R_factor_gt           0.0162
_refine_ls_wR_factor_ref         0.0375
_refine_ls_wR_factor_gt          0.0371
_refine_ls_goodness_of_fit_ref   1.081
_refine_ls_restrained_S_all      1.079
_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
Eu1 Eu 0.368723(17) 0.628684(12) 0.340569(11) 0.00483(5) Uani 1 1 d . . .
S1 S 0.73044(9) 0.73261(7) 0.45410(6) 0.00662(10) Uani 1 1 d . . .
Na1 Na 0.24145(17) 0.96383(12) 0.06497(10) 0.01092(18) Uani 1 1 d . . .
O4 O 0.5001(3) 0.6831(2) 0.08111(18) 0.0086(3) Uani 1 1 d . . .
O1 O 0.6115(3) 0.7978(2) 0.33378(19) 0.0095(3) Uani 1 1 d . . .
O1W O 0.8196(3) 0.4194(2) 0.22218(19) 0.0101(3) Uani 1 1 d D . .
O2W O 0.4737(3) 1.0719(2) 0.1676(2) 0.0131(3) Uani 1 1 d D . .
O3W O -0.0094(3) 0.8054(2) 0.0365(2) 0.0135(3) Uani 1 1 d D . .
C1 C 0.5304(4) 0.5787(3) -0.0228(2) 0.0069(4) Uani 1 1 d . . .
O2 O 0.6107(3) 0.6032(2) 0.51551(18) 0.0080(3) Uani 1 1 d . . .
O3 O 0.9869(3) 0.6218(2) 0.36717(19) 0.0105(3) Uani 1 1 d . . .
O6 O 0.1111(3) 0.9213(2) 0.31269(17) 0.0083(3) Uani 1 1 d . . .
C2 C -0.0030(4) 1.0302(3) 0.4231(2) 0.0072(4) Uani 1 1 d . . .
O7 O -0.1231(3) 1.1846(2) 0.42280(18) 0.0087(3) Uani 1 1 d . . .
O5 O 0.6023(3) 0.5902(2) -0.15962(18) 0.0093(3) Uani 1 1 d . . .
H1W1 H 0.834(6) 0.337(3) 0.268(4) 0.025(9) Uiso 1 1 d D . .
H2W1 H 0.900(6) 0.467(4) 0.245(4) 0.020(9) Uiso 1 1 d D . .
H2W2 H 0.436(6) 1.172(2) 0.193(4) 0.020(9) Uiso 1 1 d D . .
H1W2 H 0.505(6) 1.019(4) 0.235(3) 0.026(9) Uiso 1 1 d D . .
H1W3 H 0.031(6) 0.723(3) -0.024(3) 0.027(10) Uiso 1 1 d D . .
H2W3 H -0.096(6) 0.792(5) 0.114(3) 0.037(11) Uiso 1 1 d D . .

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 0.00506(6) 0.00543(6) 0.00347(6) 0.00010(4) -0.00058(4) -0.00194(4)
S1 0.0070(2) 0.0071(2) 0.0062(2) 0.00064(18) -0.00194(18) -0.00320(17)
Na1 0.0126(4) 0.0117(4) 0.0071(4) 0.0022(3) -0.0022(3) -0.0038(3)
O4 0.0110(7) 0.0076(7) 0.0064(7) -0.0004(6) -0.0019(6) -0.0032(6)
O1 0.0102(7) 0.0098(7) 0.0105(8) 0.0040(6) -0.0054(6) -0.0044(6)
O1W 0.0116(8) 0.0090(7) 0.0094(8) 0.0010(6) -0.0033(6) -0.0036(6)
O2W 0.0192(8) 0.0096(8) 0.0089(8) 0.0023(6) -0.0018(7) -0.0057(6)
O3W 0.0155(8) 0.0140(8) 0.0104(8) 0.0004(7) -0.0033(7) -0.0053(6)
C1 0.0049(9) 0.0070(9) 0.0073(9) 0.0010(7) -0.0013(7) -0.0008(7)
O2 0.0083(7) 0.0097(7) 0.0078(7) 0.0043(6) -0.0028(6) -0.0055(6)
O3 0.0067(7) 0.0109(7) 0.0121(8) 0.0002(6) -0.0011(6) -0.0027(6)
O6 0.0098(7) 0.0090(7) 0.0046(7) 0.0003(6) -0.0008(6) -0.0031(6)
C2 0.0061(9) 0.0075(9) 0.0076(10) 0.0001(7) -0.0012(7) -0.0031(7)
O7 0.0095(7) 0.0078(7) 0.0065(7) 0.0005(6) -0.0018(6) -0.0011(6)
O5 0.0139(7) 0.0097(7) 0.0044(7) -0.0005(6) -0.0010(6) -0.0059(6)

_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 O3 2.3559(16) 1_455 ?
Eu1 O2 2.3655(15) 2_666 ?
Eu1 O1 2.4269(16) . ?
Eu1 O4 2.4361(16) . ?
Eu1 O5 2.4662(17) 2_665 ?
Eu1 O7 2.4879(16) 2_576 ?
Eu1 O6 2.4980(15) . ?
Eu1 O2 2.5210(15) . ?
Eu1 O1W 2.6458(16) . ?
Eu1 S1 3.1636(5) . ?
Eu1 C1 3.264(2) . ?
Eu1 Na1 3.8663(9) . ?
S1 O3 1.5176(17) . ?
S1 O1 1.5349(16) . ?
S1 O2 1.5549(16) . ?
Na1 O6 2.3065(18) . ?
Na1 O2W 2.323(2) 2_675 ?
Na1 O3W 2.3743(19) 2_575 ?
Na1 O4 2.3933(17) . ?
Na1 O2W 2.395(2) . ?
Na1 O3W 2.478(2) . ?
Na1 Na1 3.3809(19) 2_675 ?
Na1 Na1 3.4595(19) 2_575 ?
O4 C1 1.257(3) . ?
O2W Na1 2.323(2) 2_675 ?
O3W Na1 2.3743(19) 2_575 ?
C1 O5 1.251(3) . ?
C1 C1 1.538(4) 2_665 ?
O2 Eu1 2.3655(15) 2_666 ?
O3 Eu1 2.3559(16) 1_655 ?
O6 C2 1.251(3) . ?
C2 O7 1.259(2) . ?
C2 C2 1.541(4) 2_576 ?
O7 Eu1 2.4879(16) 2_576 ?
O5 Eu1 2.4662(17) 2_665 ?

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
O3 Eu1 O2 81.26(5) 1_455 2_666 ?
O3 Eu1 O1 147.93(5) 1_455 . ?
O2 Eu1 O1 122.36(5) 2_666 . ?
O3 Eu1 O4 102.07(6) 1_455 . ?
O2 Eu1 O4 139.44(5) 2_666 . ?
O1 Eu1 O4 74.69(5) . . ?
O3 Eu1 O5 69.19(6) 1_455 2_665 ?
O2 Eu1 O5 78.47(5) 2_666 2_665 ?
O1 Eu1 O5 132.21(6) . 2_665 ?
O4 Eu1 O5 65.74(5) . 2_665 ?
O3 Eu1 O7 78.95(6) 1_455 2_576 ?
O2 Eu1 O7 87.10(5) 2_666 2_576 ?
O1 Eu1 O7 80.89(6) . 2_576 ?
O4 Eu1 O7 133.42(5) . 2_576 ?
O5 Eu1 O7 146.55(5) 2_665 2_576 ?
O3 Eu1 O6 73.66(5) 1_455 . ?
O2 Eu1 O6 144.84(5) 2_666 . ?
O1 Eu1 O6 75.21(5) . . ?
O4 Eu1 O6 71.20(5) . . ?
O5 Eu1 O6 113.66(5) 2_665 . ?
O7 Eu1 O6 64.44(5) 2_576 . ?
O3 Eu1 O2 134.17(5) 1_455 . ?
O2 Eu1 O2 65.95(6) 2_666 . ?
O1 Eu1 O2 57.12(5) . . ?
O4 Eu1 O2 123.71(5) . . ?
O5 Eu1 O2 128.85(5) 2_665 . ?
O7 Eu1 O2 68.72(5) 2_576 . ?
O6 Eu1 O2 116.65(5) . . ?
O3 Eu1 O1W 136.11(6) 1_455 . ?
O2 Eu1 O1W 77.18(5) 2_666 . ?
O1 Eu1 O1W 74.40(5) . . ?
O4 Eu1 O1W 72.90(5) . . ?
O5 Eu1 O1W 69.30(5) 2_665 . ?
O7 Eu1 O1W 136.56(5) 2_576 . ?
O6 Eu1 O1W 137.71(5) . . ?
O2 Eu1 O1W 67.88(5) . . ?
O3 Eu1 S1 152.73(4) 1_455 . ?
O2 Eu1 S1 94.45(4) 2_666 . ?
O1 Eu1 S1 28.12(4) . . ?
O4 Eu1 S1 98.59(4) . . ?
O5 Eu1 S1 136.61(4) 2_665 . ?
O7 Eu1 S1 73.93(4) 2_576 . ?
O6 Eu1 S1 96.73(4) . . ?
O2 Eu1 S1 29.04(4) . . ?
O1W Eu1 S1 67.39(4) . . ?
O3 Eu1 C1 92.83(6) 1_455 . ?
O2 Eu1 C1 121.77(5) 2_666 . ?
O1 Eu1 C1 91.58(5) . . ?
O4 Eu1 C1 19.33(5) . . ?
O5 Eu1 C1 46.44(5) 2_665 . ?
O7 Eu1 C1 148.70(5) 2_576 . ?
O6 Eu1 C1 84.26(5) . . ?
O2 Eu1 C1 131.19(5) . . ?
O1W Eu1 C1 67.98(5) . . ?
S1 Eu1 C1 111.88(4) . . ?
O3 Eu1 Na1 86.79(4) 1_455 . ?
O2 Eu1 Na1 165.71(4) 2_666 . ?
O1 Eu1 Na1 71.73(4) . . ?
O4 Eu1 Na1 36.44(4) . . ?
O5 Eu1 Na1 90.00(4) 2_665 . ?
O7 Eu1 Na1 98.32(4) 2_576 . ?
O6 Eu1 Na1 34.76(4) . . ?
O2 Eu1 Na1 128.35(4) . . ?
O1W Eu1 Na1 106.81(4) . . ?
S1 Eu1 Na1 99.751(17) . . ?
C1 Eu1 Na1 50.76(4) . . ?
O3 S1 O1 104.37(9) . . ?
O3 S1 O2 103.73(9) . . ?
O1 S1 O2 100.00(9) . . ?
O3 S1 Eu1 109.76(7) . . ?
O1 S1 Eu1 48.19(6) . . ?
O2 S1 Eu1 51.90(6) . . ?
O6 Na1 O2W 154.74(7) . 2_675 ?
O6 Na1 O3W 121.52(7) . 2_575 ?
O2W Na1 O3W 82.68(7) 2_675 2_575 ?
O6 Na1 O4 75.33(6) . . ?
O2W Na1 O4 82.94(6) 2_675 . ?
O3W Na1 O4 159.26(8) 2_575 . ?
O6 Na1 O2W 78.44(6) . . ?
O2W Na1 O2W 88.48(7) 2_675 . ?
O3W Na1 O2W 105.75(7) 2_575 . ?
O4 Na1 O2W 88.71(6) . . ?
O6 Na1 O3W 83.44(7) . . ?
O2W Na1 O3W 105.77(7) 2_675 . ?
O3W Na1 O3W 89.07(7) 2_575 . ?
O4 Na1 O3W 80.56(6) . . ?
O2W Na1 O3W 160.81(7) . . ?
O6 Na1 C1 91.23(6) . . ?
O2W Na1 C1 71.85(6) 2_675 . ?
O3W Na1 C1 137.54(7) 2_575 . ?
O4 Na1 C1 21.94(6) . . ?
O2W Na1 C1 106.89(6) . . ?
O3W Na1 C1 66.96(6) . . ?
O6 Na1 Na1 118.65(6) . 2_675 ?
O2W Na1 Na1 45.09(5) 2_675 2_675 ?
O3W Na1 Na1 96.02(6) 2_575 2_675 ?
O4 Na1 Na1 84.24(5) . 2_675 ?
O2W Na1 Na1 43.39(5) . 2_675 ?
O3W Na1 Na1 148.86(7) . 2_675 ?
C1 Na1 Na1 89.53(5) . 2_675 ?
O6 Na1 Na1 106.08(6) . 2_575 ?
O2W Na1 Na1 96.16(6) 2_675 2_575 ?
O3W Na1 Na1 45.74(5) 2_575 2_575 ?
O4 Na1 Na1 121.62(6) . 2_575 ?
O2W Na1 Na1 149.63(7) . 2_575 ?
O3W Na1 Na1 43.33(5) . 2_575 ?
C1 Na1 Na1 103.06(6) . 2_575 ?
Na1 Na1 Na1 133.23(6) 2_675 2_575 ?
O6 Na1 Eu1 38.14(4) . . ?
O2W Na1 Eu1 119.21(5) 2_675 . ?
O3W Na1 Eu1 157.27(6) 2_575 . ?
O4 Na1 Eu1 37.20(4) . . ?
O2W Na1 Eu1 82.35(5) . . ?
O3W Na1 Eu1 79.49(5) . . ?
C1 Na1 Eu1 54.52(4) . . ?
Na1 Na1 Eu1 103.95(4) 2_675 . ?
Na1 Na1 Eu1 120.16(4) 2_575 . ?
C1 O4 Na1 112.73(13) . . ?
C1 O4 Eu1 120.80(14) . . ?
Na1 O4 Eu1 106.37(6) . . ?
S1 O1 Eu1 103.69(8) . . ?
Na1 O2W Na1 91.52(7) 2_675 . ?
Na1 O3W Na1 90.93(7) 2_575 . ?
O5 C1 O4 126.8(2) . . ?
O5 C1 C1 116.4(2) . 2_665 ?
O4 C1 C1 116.8(2) . 2_665 ?
S1 O2 Eu1 144.96(9) . 2_666 ?
S1 O2 Eu1 99.07(7) . . ?
Eu1 O2 Eu1 114.05(6) 2_666 . ?
S1 O3 Eu1 135.10(10) . 1_655 ?
C2 O6 Na1 128.22(14) . . ?
C2 O6 Eu1 120.80(13) . . ?
Na1 O6 Eu1 107.10(7) . . ?
O6 C2 O7 127.2(2) . . ?
O6 C2 C2 116.8(2) . 2_576 ?
O7 C2 C2 116.0(2) . 2_576 ?
C2 O7 Eu1 121.32(14) . 2_576 ?
C1 O5 Eu1 120.18(14) . 2_665 ?

_diffrn_measured_fraction_theta_max 0.983
_diffrn_reflns_theta_full        30.52
_diffrn_measured_fraction_theta_full 0.983
_refine_diff_density_max         1.310
_refine_diff_density_min         -1.293
_refine_diff_density_rms         0.130
_exptl_crystal_recrystallization_method hydrothermal
