# Electronic Supplementary Material (ESI) for RSC Advances.
# This journal is © The Royal Society of Chemistry 2015

####################################################################### 
# 
# 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_1
_database_code_depnum_ccdc_archive 'CCDC 1425342'
_audit_update_record             
;
2015-09-17 deposited with the CCDC.
2015-10-22 downloaded from the CCDC.
;

_audit_creation_method           SHELXL-97
_chemical_name_systematic        
; 
 ? 
;
_chemical_name_common            ?
_chemical_melting_point          ?
_chemical_formula_moiety         ?
_chemical_formula_sum            'C11 H10.50 Dy N O7.25'
_chemical_formula_weight         435.20

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'
Dy Dy -0.1892 4.4098 '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                   11.523(2)
_cell_length_b                   11.262(2)
_cell_length_c                   18.197(4)
_cell_angle_alpha                90.00
_cell_angle_beta                 90.68(3)
_cell_angle_gamma                90.00
_cell_volume                     2361.4(8)
_cell_formula_units_Z            8
_cell_measurement_temperature    293(2)
_cell_measurement_reflns_used    3316
_cell_measurement_theta_min      2.5289
_cell_measurement_theta_max      27.4780

_exptl_crystal_description       Plate
_exptl_crystal_colour            'light yellow'
_exptl_crystal_size_max          0.15
_exptl_crystal_size_mid          0.14
_exptl_crystal_size_min          0.04
_exptl_crystal_density_meas      ?
_exptl_crystal_density_diffrn    2.448
_exptl_crystal_density_method    'not measured'
_exptl_crystal_F_000             1660
_exptl_absorpt_coefficient_mu    6.365
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_correction_T_min  0.5379
_exptl_absorpt_correction_T_max  1.0000
_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  'CCD area dtetector'
_diffrn_measurement_method       'phi and omega scans'
_diffrn_detector_area_resol_mean '15x15 microns'
_diffrn_standards_number         ?
_diffrn_standards_interval_count ?
_diffrn_standards_interval_time  ?
_diffrn_standards_decay_%        ?
_diffrn_reflns_number            7884
_diffrn_reflns_av_R_equivalents  0.0341
_diffrn_reflns_av_sigmaI/netI    0.0317
_diffrn_reflns_limit_h_min       -14
_diffrn_reflns_limit_h_max       13
_diffrn_reflns_limit_k_min       -13
_diffrn_reflns_limit_k_max       14
_diffrn_reflns_limit_l_min       -21
_diffrn_reflns_limit_l_max       23
_diffrn_reflns_theta_min         3.36
_diffrn_reflns_theta_max         27.49
_reflns_number_total             2691
_reflns_number_gt                2596
_reflns_threshold_expression     >2sigma(I)

_computing_data_collection       'SMART (Bruker, 2000)'
_computing_cell_refinement       SMART
_computing_data_reduction        'SAINT (Bruker, 2000)'
_computing_structure_solution    'SHELXS-97 (Sheldrick, 1990)'
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 1997)'
_computing_molecular_graphics    'SHELXL-97 (Sheldrick, 1997)'
_computing_publication_material  'SHELXL-97 (Sheldrick, 1997)'

_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)+(0.0195P)²+21.3256P] where P=(Fo²+2Fc²)/3'
_atom_sites_solution_primary     direct
_atom_sites_solution_secondary   difmap
_atom_sites_solution_hydrogens   geom
_refine_ls_hydrogen_treatment    constr
_refine_ls_extinction_method     none
_refine_ls_extinction_coef       ?
_refine_ls_number_reflns         2691
_refine_ls_number_parameters     186
_refine_ls_number_restraints     0
_refine_ls_R_factor_all          0.0372
_refine_ls_R_factor_gt           0.0347
_refine_ls_wR_factor_ref         0.0712
_refine_ls_wR_factor_gt          0.0701
_refine_ls_goodness_of_fit_ref   1.163
_refine_ls_restrained_S_all      1.163
_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
Dy1 Dy 0.351219(19) 0.107140(19) 0.486815(13) 0.02201(9) Uani 1 1 d . . .
C1 C 0.1139(5) -0.4136(5) 0.3276(3) 0.0345(13) Uani 1 1 d . . .
H1A H 0.0802 -0.4843 0.3118 0.041 Uiso 1 1 calc R . .
C2 C 0.1762(6) -0.3447(6) 0.2794(3) 0.0404(14) Uani 1 1 d . . .
H2A H 0.1847 -0.3687 0.2308 0.049 Uiso 1 1 calc R . .
C3 C 0.2261(5) -0.2391(6) 0.3036(3) 0.0377(13) Uani 1 1 d . . .
H3A H 0.2684 -0.1922 0.2715 0.045 Uiso 1 1 calc R . .
C4 C 0.2126(4) -0.2044(5) 0.3758(3) 0.0268(11) Uani 1 1 d . . .
C5 C 0.1478(4) -0.2751(4) 0.4224(3) 0.0233(10) Uani 1 1 d . . .
H5A H 0.1358 -0.2517 0.4707 0.028 Uiso 1 1 calc R . .
C6 C 0.2617(5) -0.0903(5) 0.4079(4) 0.0309(12) Uani 1 1 d . . .
C7 C 0.1565(5) 0.1500(4) 0.6186(3) 0.0257(11) Uani 1 1 d . . .
C8 C 0.0814(5) 0.0682(5) 0.6627(3) 0.0323(12) Uani 1 1 d . . .
H8A H 0.0183 0.1119 0.6849 0.039 Uiso 1 1 calc R . .
H8B H 0.1265 0.0301 0.7014 0.039 Uiso 1 1 calc R . .
C9 C 0.0336(6) -0.0253(6) 0.6079(4) 0.0440(15) Uani 1 1 d . . .
H9A H -0.0109 0.0153 0.5699 0.053 Uiso 1 1 calc R . .
H9B H 0.0986 -0.0640 0.5844 0.053 Uiso 1 1 calc R . .
C10 C -0.0417(5) -0.1188(5) 0.6417(3) 0.0363(13) Uani 1 1 d . . .
H10A H 0.0010 -0.1616 0.6795 0.044 Uiso 1 1 calc R . .
H10B H -0.1094 -0.0828 0.6637 0.044 Uiso 1 1 calc R . .
C11 C -0.0775(4) -0.2013(5) 0.5809(3) 0.0304(12) Uani 1 1 d . . .
N1 N 0.1022(4) -0.3783(4) 0.3973(3) 0.0248(9) Uani 1 1 d . . .
O1 O 0.0429(3) -0.4474(3) 0.4444(2) 0.0261(8) Uani 1 1 d . . .
O2 O 0.2431(4) -0.0719(3) 0.4746(2) 0.0364(9) Uani 1 1 d . . .
O3 O 0.3151(4) -0.0199(4) 0.3681(3) 0.0437(11) Uani 1 1 d . . .
O4 O 0.2505(3) 0.1063(3) 0.5968(2) 0.0309(8) Uani 1 1 d . . .
O5 O 0.1168(3) 0.2518(3) 0.6037(2) 0.0299(8) Uani 1 1 d . . .
O6 O -0.0185(3) -0.2902(4) 0.5681(2) 0.0381(10) Uani 1 1 d . . .
O7 O -0.1675(3) -0.1788(3) 0.5424(2) 0.0326(8) Uani 1 1 d . . .
O1W O 0.0000 -0.644(4) 0.2500 0.33(4) Uani 0.50 2 d SP . .


_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 O7 2.321(4) 5_556 ?
Dy1 O5 2.322(4) 7_556 ?
Dy1 O4 2.325(4) . ?
Dy1 O2 2.380(4) . ?
Dy1 O6 2.394(4) 3 ?
Dy1 O1 2.428(3) 3 ?
Dy1 O1 2.501(4) 7_546 ?
Dy1 O3 2.619(5) . ?
Dy1 O7 2.624(4) 3 ?
Dy1 C6 2.834(6) . ?
Dy1 C11 2.869(6) 3 ?
C1 N1 1.336(7) . ?
C1 C2 1.379(9) . ?
C1 H1A 0.9300 . ?
C2 C3 1.391(9) . ?
C2 H2A 0.9300 . ?
C3 C4 1.380(8) . ?
C3 H3A 0.9300 . ?
C4 C5 1.389(7) . ?
C4 C6 1.519(8) . ?
C5 N1 1.352(6) . ?
C5 H5A 0.9300 . ?
C6 O3 1.241(7) . ?
C6 O2 1.251(7) . ?
C7 O4 1.258(6) . ?
C7 O5 1.263(6) . ?
C7 C8 1.503(7) . ?
C8 C9 1.547(8) . ?
C8 H8A 0.9700 . ?
C8 H8B 0.9700 . ?
C9 C10 1.500(8) . ?
C9 H9A 0.9700 . ?
C9 H9B 0.9700 . ?
C10 C11 1.499(8) . ?
C10 H10A 0.9700 . ?
C10 H10B 0.9700 . ?
C11 O6 1.234(6) . ?
C11 O7 1.271(7) . ?
C11 Dy1 2.869(5) 3_445 ?
N1 O1 1.350(5) . ?
O1 Dy1 2.428(3) 3_445 ?
O1 Dy1 2.501(4) 7_546 ?
O5 Dy1 2.322(4) 7_556 ?
O6 Dy1 2.394(4) 3_445 ?
O7 Dy1 2.321(4) 5_556 ?
O7 Dy1 2.624(4) 3_445 ?

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 Dy1 O5 75.61(14) 5_556 7_556 ?
O7 Dy1 O4 74.65(14) 5_556 . ?
O5 Dy1 O4 134.32(13) 7_556 . ?
O7 Dy1 O2 78.34(14) 5_556 . ?
O5 Dy1 O2 126.92(14) 7_556 . ?
O4 Dy1 O2 79.11(14) . . ?
O7 Dy1 O6 122.50(13) 5_556 3 ?
O5 Dy1 O6 90.26(15) 7_556 3 ?
O4 Dy1 O6 77.62(15) . 3 ?
O2 Dy1 O6 142.31(15) . 3 ?
O7 Dy1 O1 147.77(13) 5_556 3 ?
O5 Dy1 O1 78.17(12) 7_556 3 ?
O4 Dy1 O1 137.56(13) . 3 ?
O2 Dy1 O1 103.48(13) . 3 ?
O6 Dy1 O1 75.67(13) 3 3 ?
O7 Dy1 O1 143.38(12) 5_556 7_546 ?
O5 Dy1 O1 140.09(12) 7_556 7_546 ?
O4 Dy1 O1 79.14(12) . 7_546 ?
O2 Dy1 O1 71.90(13) . 7_546 ?
O6 Dy1 O1 74.88(13) 3 7_546 ?
O1 Dy1 O1 62.42(14) 3 7_546 ?
O7 Dy1 O3 82.28(14) 5_556 . ?
O5 Dy1 O3 79.25(13) 7_556 . ?
O4 Dy1 O3 129.16(13) . . ?
O2 Dy1 O3 51.84(13) . . ?
O6 Dy1 O3 149.97(14) 3 . ?
O1 Dy1 O3 74.67(13) 3 . ?
O1 Dy1 O3 95.27(13) 7_546 . ?
O7 Dy1 O7 71.93(14) 5_556 3 ?
O5 Dy1 O7 70.07(13) 7_556 3 ?
O4 Dy1 O7 68.16(13) . 3 ?
O2 Dy1 O7 140.29(13) . 3 ?
O6 Dy1 O7 51.09(12) 3 3 ?
O1 Dy1 O7 115.75(12) 3 3 ?
O1 Dy1 O7 120.64(12) 7_546 3 ?
O3 Dy1 O7 143.73(13) . 3 ?
O7 Dy1 C6 80.29(15) 5_556 . ?
O5 Dy1 C6 103.71(15) 7_556 . ?
O4 Dy1 C6 104.51(15) . . ?
O2 Dy1 C6 25.95(15) . . ?
O6 Dy1 C6 156.07(14) 3 . ?
O1 Dy1 C6 88.12(14) 3 . ?
O1 Dy1 C6 82.07(14) 7_546 . ?
O3 Dy1 C6 25.94(15) . . ?
O7 Dy1 C6 152.22(13) 3 . ?
O7 Dy1 C11 97.43(15) 5_556 3 ?
O5 Dy1 C11 82.09(15) 7_556 3 ?
O4 Dy1 C11 68.38(15) . 3 ?
O2 Dy1 C11 147.06(15) . 3 ?
O6 Dy1 C11 25.10(14) 3 3 ?
O1 Dy1 C11 97.19(14) 3 3 ?
O1 Dy1 C11 96.16(14) 7_546 3 ?
O3 Dy1 C11 160.81(15) . 3 ?
O7 Dy1 C11 26.28(14) 3 3 ?
C6 Dy1 C11 172.89(16) . 3 ?
N1 C1 C2 119.7(5) . . ?
N1 C1 H1A 120.2 . . ?
C2 C1 H1A 120.2 . . ?
C1 C2 C3 119.7(6) . . ?
C1 C2 H2A 120.2 . . ?
C3 C2 H2A 120.2 . . ?
C4 C3 C2 119.5(5) . . ?
C4 C3 H3A 120.2 . . ?
C2 C3 H3A 120.2 . . ?
C3 C4 C5 119.1(5) . . ?
C3 C4 C6 124.1(5) . . ?
C5 C4 C6 116.8(5) . . ?
N1 C5 C4 119.7(5) . . ?
N1 C5 H5A 120.1 . . ?
C4 C5 H5A 120.1 . . ?
O3 C6 O2 123.5(6) . . ?
O3 C6 C4 120.1(6) . . ?
O2 C6 C4 116.5(5) . . ?
O3 C6 Dy1 67.3(3) . . ?
O2 C6 Dy1 56.3(3) . . ?
C4 C6 Dy1 172.2(4) . . ?
O4 C7 O5 126.8(5) . . ?
O4 C7 C8 115.6(5) . . ?
O5 C7 C8 117.5(5) . . ?
C7 C8 C9 106.0(5) . . ?
C7 C8 H8A 110.5 . . ?
C9 C8 H8A 110.5 . . ?
C7 C8 H8B 110.5 . . ?
C9 C8 H8B 110.5 . . ?
H8A C8 H8B 108.7 . . ?
C10 C9 C8 114.6(5) . . ?
C10 C9 H9A 108.6 . . ?
C8 C9 H9A 108.6 . . ?
C10 C9 H9B 108.6 . . ?
C8 C9 H9B 108.6 . . ?
H9A C9 H9B 107.6 . . ?
C11 C10 C9 106.7(5) . . ?
C11 C10 H10A 110.4 . . ?
C9 C10 H10A 110.4 . . ?
C11 C10 H10B 110.4 . . ?
C9 C10 H10B 110.4 . . ?
H10A C10 H10B 108.6 . . ?
O6 C11 O7 120.4(5) . . ?
O6 C11 C10 119.7(5) . . ?
O7 C11 C10 119.9(5) . . ?
O6 C11 Dy1 55.4(3) . 3_445 ?
O7 C11 Dy1 66.1(3) . 3_445 ?
C10 C11 Dy1 168.9(4) . 3_445 ?
C1 N1 O1 119.2(4) . . ?
C1 N1 C5 122.2(5) . . ?
O1 N1 C5 118.6(4) . . ?
N1 O1 Dy1 121.7(3) . 3_445 ?
N1 O1 Dy1 119.0(3) . 7_546 ?
Dy1 O1 Dy1 117.58(14) 3_445 7_546 ?
C6 O2 Dy1 97.7(3) . . ?
C6 O3 Dy1 86.7(4) . . ?
C7 O4 Dy1 135.3(4) . . ?
C7 O5 Dy1 135.5(3) . 7_556 ?
C11 O6 Dy1 99.5(3) . 3_445 ?
C11 O7 Dy1 158.7(4) . 5_556 ?
C11 O7 Dy1 87.6(3) . 3_445 ?
Dy1 O7 Dy1 108.07(14) 5_556 3_445 ?

_diffrn_measured_fraction_theta_max 0.991
_diffrn_reflns_theta_full        27.49
_diffrn_measured_fraction_theta_full 0.991
_refine_diff_density_max         0.786
_refine_diff_density_min         -0.720
_refine_diff_density_rms         0.129
_exptl_crystal_recrystallization_method 'hydrothermal reaction'
_exptl_crystal_preparation       'Magnetic properties'
####################################################################### 
# 
# 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_1
_database_code_depnum_ccdc_archive 'CCDC 1425343'
_audit_update_record             
;
2015-09-17 deposited with the CCDC.
2015-10-22 downloaded from the CCDC.
;

_audit_creation_method           SHELXL-97
_chemical_name_systematic        
; 
 ? 
;
_chemical_name_common            ?
_chemical_melting_point          ?
_chemical_formula_moiety         ?
_chemical_formula_sum            'C11 H10.50 Gd N O7.25'
_chemical_formula_weight         429.95

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'
Gd Gd -0.1653 3.9035 '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                   11.577(2)
_cell_length_b                   11.357(2)
_cell_length_c                   18.158(4)
_cell_angle_alpha                90.00
_cell_angle_beta                 91.35(3)
_cell_angle_gamma                90.00
_cell_volume                     2386.7(8)
_cell_formula_units_Z            8
_cell_measurement_temperature    293(2)
_cell_measurement_reflns_used    4353
_cell_measurement_theta_min      2.5127
_cell_measurement_theta_max      31.4907

_exptl_crystal_description       plate
_exptl_crystal_colour            yellow
_exptl_crystal_size_max          0.21
_exptl_crystal_size_mid          0.10
_exptl_crystal_size_min          0.06
_exptl_crystal_density_meas      ?
_exptl_crystal_density_diffrn    2.393
_exptl_crystal_density_method    'not measured'
_exptl_crystal_F_000             1644
_exptl_absorpt_coefficient_mu    5.594
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_correction_T_min  0.5854
_exptl_absorpt_correction_T_max  1.0000
_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  'CCD area dtetector'
_diffrn_measurement_method       'phi and omega scans'
_diffrn_detector_area_resol_mean '15x15 microns'
_diffrn_standards_number         ?
_diffrn_standards_interval_count ?
_diffrn_standards_interval_time  ?
_diffrn_standards_decay_%        ?
_diffrn_reflns_number            9057
_diffrn_reflns_av_R_equivalents  0.0293
_diffrn_reflns_av_sigmaI/netI    0.0240
_diffrn_reflns_limit_h_min       -15
_diffrn_reflns_limit_h_max       15
_diffrn_reflns_limit_k_min       -14
_diffrn_reflns_limit_k_max       14
_diffrn_reflns_limit_l_min       -23
_diffrn_reflns_limit_l_max       23
_diffrn_reflns_theta_min         3.34
_diffrn_reflns_theta_max         27.51
_reflns_number_total             2732
_reflns_number_gt                2642
_reflns_threshold_expression     >2sigma(I)

_computing_data_collection       'SMART (Bruker, 2000)'
_computing_cell_refinement       SMART
_computing_data_reduction        'SAINT (Bruker, 2000)'
_computing_structure_solution    'SHELXS-97 (Sheldrick, 1990)'
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 1997)'
_computing_molecular_graphics    'SHELXL-97 (Sheldrick, 1997)'
_computing_publication_material  'SHELXL-97 (Sheldrick, 1997)'

_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)+(0.0095P)²+16.8459P] where P=(Fo²+2Fc²)/3'
_atom_sites_solution_primary     direct
_atom_sites_solution_secondary   difmap
_atom_sites_solution_hydrogens   geom
_refine_ls_hydrogen_treatment    constr
_refine_ls_extinction_method     none
_refine_ls_extinction_coef       ?
_refine_ls_number_reflns         2732
_refine_ls_number_parameters     186
_refine_ls_number_restraints     6
_refine_ls_R_factor_all          0.0291
_refine_ls_R_factor_gt           0.0270
_refine_ls_wR_factor_ref         0.0543
_refine_ls_wR_factor_gt          0.0535
_refine_ls_goodness_of_fit_ref   1.154
_refine_ls_restrained_S_all      1.155
_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 0.350362(15) 0.107194(15) 0.486634(11) 0.01988(6) Uani 1 1 d . . .
C1 C 0.1152(4) -0.4124(4) 0.3278(2) 0.0320(10) Uani 1 1 d . . .
H1 H 0.0830 -0.4832 0.3118 0.038 Uiso 1 1 calc R . .
C2 C 0.1762(4) -0.3442(4) 0.2798(3) 0.0381(11) Uani 1 1 d . . .
H2 H 0.1846 -0.3682 0.2313 0.046 Uiso 1 1 calc R . .
C3 C 0.2247(4) -0.2400(4) 0.3041(2) 0.0332(10) Uani 1 1 d . . .
H3 H 0.2672 -0.1939 0.2722 0.040 Uiso 1 1 calc R . .
C4 C 0.2098(3) -0.2045(3) 0.3763(2) 0.0249(8) Uani 1 1 d . . .
C5 C 0.1463(3) -0.2753(3) 0.4227(2) 0.0233(8) Uani 1 1 d . . .
H5 H 0.1344 -0.2521 0.4710 0.028 Uiso 1 1 calc R . .
C6 C 0.2576(3) -0.0911(3) 0.4085(2) 0.0255(9) Uani 1 1 d . . .
C7 C 0.1569(3) 0.1496(3) 0.6198(2) 0.0230(8) Uani 1 1 d . . .
C8 C 0.0813(4) 0.0677(4) 0.6629(2) 0.0288(9) Uani 1 1 d . . .
H8A H 0.0180 0.1109 0.6843 0.035 Uiso 1 1 calc R . .
H8B H 0.1257 0.0302 0.7022 0.035 Uiso 1 1 calc R . .
C9 C 0.0347(4) -0.0248(4) 0.6079(3) 0.0359(10) Uani 1 1 d . . .
H9A H -0.0101 0.0149 0.5696 0.043 Uiso 1 1 calc R . .
H9B H 0.0996 -0.0628 0.5848 0.043 Uiso 1 1 calc R . .
C10 C -0.0394(4) -0.1177(4) 0.6420(2) 0.0316(9) Uani 1 1 d . . .
H10A H 0.0037 -0.1588 0.6806 0.038 Uiso 1 1 calc R . .
H10B H -0.1070 -0.0821 0.6634 0.038 Uiso 1 1 calc R . .
C11 C -0.0751(3) -0.2019(4) 0.5820(2) 0.0276(9) Uani 1 1 d . . .
N1 N 0.1018(3) -0.3777(3) 0.39749(19) 0.0231(7) Uani 1 1 d . . .
O1 O 0.0430(2) -0.4467(2) 0.44381(16) 0.0256(6) Uani 1 1 d . . .
O2 O 0.2397(3) -0.0721(2) 0.47541(17) 0.0314(7) Uani 1 1 d . . .
O3 O 0.3108(3) -0.0207(3) 0.36868(19) 0.0369(7) Uani 1 1 d . . .
O4 O 0.2515(2) 0.1076(2) 0.59867(16) 0.0272(6) Uani 1 1 d . . .
O5 O 0.1188(3) 0.2515(2) 0.60596(17) 0.0299(7) Uani 1 1 d . . .
O6 O -0.0153(3) -0.2904(3) 0.57003(19) 0.0358(7) Uani 1 1 d . . .
O7 O -0.1643(2) -0.1803(3) 0.54197(16) 0.0284(6) Uani 1 1 d . . .
O1W O 0.0000 -0.636(2) 0.2500 0.198(12) Uani 0.50 2 d SPU . .


_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 2.355(3) 5_556 ?
Gd1 O5 2.357(3) 7_556 ?
Gd1 O4 2.357(3) . ?
Gd1 O2 2.412(3) . ?
Gd1 O6 2.440(3) 3 ?
Gd1 O1 2.456(3) 3 ?
Gd1 O1 2.524(3) 7_546 ?
Gd1 O3 2.619(3) . ?
Gd1 O7 2.621(3) 3 ?
Gd1 C6 2.858(4) . ?
Gd1 C11 2.893(4) 3 ?
Gd1 Gd1 4.0261(7) 7_556 ?
C1 N1 1.337(6) . ?
C1 C2 1.374(7) . ?
C1 H1 0.9300 . ?
C2 C3 1.378(7) . ?
C2 H2 0.9300 . ?
C3 C4 1.386(6) . ?
C3 H3 0.9300 . ?
C4 C5 1.388(5) . ?
C4 C6 1.514(5) . ?
C5 N1 1.347(5) . ?
C5 H5 0.9300 . ?
C6 O3 1.250(5) . ?
C6 O2 1.256(5) . ?
C7 O5 1.262(5) . ?
C7 O4 1.262(5) . ?
C7 C8 1.508(5) . ?
C8 C9 1.538(6) . ?
C8 H8A 0.9700 . ?
C8 H8B 0.9700 . ?
C9 C10 1.502(6) . ?
C9 H9A 0.9700 . ?
C9 H9B 0.9700 . ?
C10 C11 1.501(6) . ?
C10 H10A 0.9700 . ?
C10 H10B 0.9700 . ?
C11 O6 1.242(5) . ?
C11 O7 1.273(5) . ?
C11 Gd1 2.893(4) 3_445 ?
N1 O1 1.346(4) . ?
O1 Gd1 2.456(3) 3_445 ?
O1 Gd1 2.524(3) 7_546 ?
O5 Gd1 2.357(3) 7_556 ?
O6 Gd1 2.440(3) 3_445 ?
O7 Gd1 2.355(3) 5_556 ?
O7 Gd1 2.621(3) 3_445 ?

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 O5 75.86(10) 5_556 7_556 ?
O7 Gd1 O4 74.31(10) 5_556 . ?
O5 Gd1 O4 134.34(10) 7_556 . ?
O7 Gd1 O2 78.33(10) 5_556 . ?
O5 Gd1 O2 127.11(11) 7_556 . ?
O4 Gd1 O2 78.87(10) . . ?
O7 Gd1 O6 122.35(10) 5_556 3 ?
O5 Gd1 O6 90.76(11) 7_556 3 ?
O4 Gd1 O6 77.22(11) . 3 ?
O2 Gd1 O6 141.67(11) . 3 ?
O7 Gd1 O1 148.26(10) 5_556 3 ?
O5 Gd1 O1 77.87(10) 7_556 3 ?
O4 Gd1 O1 137.42(10) . 3 ?
O2 Gd1 O1 104.33(10) . 3 ?
O6 Gd1 O1 75.22(10) 3 3 ?
O7 Gd1 O1 143.05(9) 5_556 7_546 ?
O5 Gd1 O1 140.18(9) 7_556 7_546 ?
O4 Gd1 O1 79.12(9) . 7_546 ?
O2 Gd1 O1 71.64(10) . 7_546 ?
O6 Gd1 O1 74.73(10) 3 7_546 ?
O1 Gd1 O1 62.71(11) 3 7_546 ?
O7 Gd1 O3 82.74(10) 5_556 . ?
O5 Gd1 O3 79.67(10) 7_556 . ?
O4 Gd1 O3 128.87(10) . . ?
O2 Gd1 O3 51.71(10) . . ?
O6 Gd1 O3 150.28(10) 3 . ?
O1 Gd1 O3 75.27(10) 3 . ?
O1 Gd1 O3 94.75(10) 7_546 . ?
O7 Gd1 O7 72.10(11) 5_556 3 ?
O5 Gd1 O7 70.06(10) 7_556 3 ?
O4 Gd1 O7 68.30(9) . 3 ?
O2 Gd1 O7 140.40(10) . 3 ?
O6 Gd1 O7 50.91(9) 3 3 ?
O1 Gd1 O7 114.72(9) 3 3 ?
O1 Gd1 O7 120.57(9) 7_546 3 ?
O3 Gd1 O7 144.32(9) . 3 ?
O7 Gd1 C6 80.62(11) 5_556 . ?
O5 Gd1 C6 104.09(11) 7_556 . ?
O4 Gd1 C6 104.22(11) . . ?
O2 Gd1 C6 25.85(11) . . ?
O6 Gd1 C6 155.57(10) 3 . ?
O1 Gd1 C6 88.86(10) 3 . ?
O1 Gd1 C6 81.55(10) 7_546 . ?
O3 Gd1 C6 25.91(11) . . ?
O7 Gd1 C6 152.72(10) 3 . ?
O7 Gd1 C11 97.25(11) 5_556 3 ?
O5 Gd1 C11 82.46(12) 7_556 3 ?
O4 Gd1 C11 68.04(11) . 3 ?
O2 Gd1 C11 146.46(11) . 3 ?
O6 Gd1 C11 25.14(11) 3 3 ?
O1 Gd1 C11 96.65(11) 3 3 ?
O1 Gd1 C11 96.10(11) 7_546 3 ?
O3 Gd1 C11 161.58(11) . 3 ?
O7 Gd1 C11 26.09(10) 3 3 ?
C6 Gd1 C11 172.25(12) . 3 ?
O7 Gd1 Gd1 38.28(7) 5_556 7_556 ?
O5 Gd1 Gd1 68.60(7) 7_556 7_556 ?
O4 Gd1 Gd1 66.49(7) . 7_556 ?
O2 Gd1 Gd1 112.54(8) . 7_556 ?
O6 Gd1 Gd1 84.40(7) 3 7_556 ?
O1 Gd1 Gd1 140.32(6) 3 7_556 ?
O1 Gd1 Gd1 142.99(7) 7_546 7_556 ?
O3 Gd1 Gd1 117.06(7) . 7_556 ?
O7 Gd1 Gd1 33.82(6) 3 7_556 ?
C6 Gd1 Gd1 118.90(8) . 7_556 ?
C11 Gd1 Gd1 59.27(9) 3 7_556 ?
N1 C1 C2 120.5(4) . . ?
N1 C1 H1 119.8 . . ?
C2 C1 H1 119.8 . . ?
C1 C2 C3 119.5(4) . . ?
C1 C2 H2 120.2 . . ?
C3 C2 H2 120.2 . . ?
C2 C3 C4 119.6(4) . . ?
C2 C3 H3 120.2 . . ?
C4 C3 H3 120.2 . . ?
C3 C4 C5 119.0(4) . . ?
C3 C4 C6 124.1(4) . . ?
C5 C4 C6 116.9(4) . . ?
N1 C5 C4 119.9(4) . . ?
N1 C5 H5 120.1 . . ?
C4 C5 H5 120.1 . . ?
O3 C6 O2 123.0(4) . . ?
O3 C6 C4 120.1(4) . . ?
O2 C6 C4 116.9(3) . . ?
O3 C6 Gd1 66.3(2) . . ?
O2 C6 Gd1 56.8(2) . . ?
C4 C6 Gd1 172.7(3) . . ?
O5 C7 O4 126.0(4) . . ?
O5 C7 C8 117.6(4) . . ?
O4 C7 C8 116.3(4) . . ?
C7 C8 C9 106.5(3) . . ?
C7 C8 H8A 110.4 . . ?
C9 C8 H8A 110.4 . . ?
C7 C8 H8B 110.4 . . ?
C9 C8 H8B 110.4 . . ?
H8A C8 H8B 108.6 . . ?
C10 C9 C8 114.1(4) . . ?
C10 C9 H9A 108.7 . . ?
C8 C9 H9A 108.7 . . ?
C10 C9 H9B 108.7 . . ?
C8 C9 H9B 108.7 . . ?
H9A C9 H9B 107.6 . . ?
C11 C10 C9 107.4(4) . . ?
C11 C10 H10A 110.2 . . ?
C9 C10 H10A 110.2 . . ?
C11 C10 H10B 110.2 . . ?
C9 C10 H10B 110.2 . . ?
H10A C10 H10B 108.5 . . ?
O6 C11 O7 120.3(4) . . ?
O6 C11 C10 119.8(4) . . ?
O7 C11 C10 119.8(4) . . ?
O6 C11 Gd1 56.6(2) . 3_445 ?
O7 C11 Gd1 64.9(2) . 3_445 ?
C10 C11 Gd1 170.1(3) . 3_445 ?
C1 N1 O1 119.4(3) . . ?
C1 N1 C5 121.6(4) . . ?
O1 N1 C5 119.0(3) . . ?
N1 O1 Gd1 121.9(2) . 3_445 ?
N1 O1 Gd1 119.0(2) . 7_546 ?
Gd1 O1 Gd1 117.29(11) 3_445 7_546 ?
C6 O2 Gd1 97.3(2) . . ?
C6 O3 Gd1 87.7(3) . . ?
C7 O4 Gd1 134.8(3) . . ?
C7 O5 Gd1 135.1(3) . 7_556 ?
C11 O6 Gd1 98.3(3) . 3_445 ?
C11 O7 Gd1 156.9(3) . 5_556 ?
C11 O7 Gd1 89.0(2) . 3_445 ?
Gd1 O7 Gd1 107.90(11) 5_556 3_445 ?

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
N1 C1 C2 C3 0.7(7) . . . . ?
C1 C2 C3 C4 -1.0(7) . . . . ?
C2 C3 C4 C5 0.2(7) . . . . ?
C2 C3 C4 C6 -179.0(4) . . . . ?
C3 C4 C5 N1 1.0(6) . . . . ?
C6 C4 C5 N1 -179.7(3) . . . . ?
C3 C4 C6 O3 2.7(6) . . . . ?
C5 C4 C6 O3 -176.6(4) . . . . ?
C3 C4 C6 O2 -178.1(4) . . . . ?
C5 C4 C6 O2 2.6(6) . . . . ?
C3 C4 C6 Gd1 -148(2) . . . . ?
C5 C4 C6 Gd1 33(2) . . . . ?
O7 Gd1 C6 O3 92.7(2) 5_556 . . . ?
O5 Gd1 C6 O3 19.9(3) 7_556 . . . ?
O4 Gd1 C6 O3 163.7(2) . . . . ?
O2 Gd1 C6 O3 175.3(4) . . . . ?
O6 Gd1 C6 O3 -105.9(3) 3 . . . ?
O1 Gd1 C6 O3 -57.2(2) 3 . . . ?
O1 Gd1 C6 O3 -119.8(2) 7_546 . . . ?
O7 Gd1 C6 O3 93.7(3) 3 . . . ?
C11 Gd1 C6 O3 167.3(8) 3 . . . ?
Gd1 Gd1 C6 O3 93.0(2) 7_556 . . . ?
O7 Gd1 C6 O2 -82.6(2) 5_556 . . . ?
O5 Gd1 C6 O2 -155.3(2) 7_556 . . . ?
O4 Gd1 C6 O2 -11.5(3) . . . . ?
O6 Gd1 C6 O2 78.8(4) 3 . . . ?
O1 Gd1 C6 O2 127.5(2) 3 . . . ?
O1 Gd1 C6 O2 64.9(2) 7_546 . . . ?
O3 Gd1 C6 O2 -175.3(4) . . . . ?
O7 Gd1 C6 O2 -81.6(3) 3 . . . ?
C11 Gd1 C6 O2 -8.0(10) 3 . . . ?
Gd1 Gd1 C6 O2 -82.2(2) 7_556 . . . ?
O7 Gd1 C6 C4 -115(2) 5_556 . . . ?
O5 Gd1 C6 C4 172(2) 7_556 . . . ?
O4 Gd1 C6 C4 -44(2) . . . . ?
O2 Gd1 C6 C4 -32(2) . . . . ?
O6 Gd1 C6 C4 47(2) 3 . . . ?
O1 Gd1 C6 C4 95(2) 3 . . . ?
O1 Gd1 C6 C4 33(2) 7_546 . . . ?
O3 Gd1 C6 C4 152(2) . . . . ?
O7 Gd1 C6 C4 -114(2) 3 . . . ?
C11 Gd1 C6 C4 -40(3) 3 . . . ?
Gd1 Gd1 C6 C4 -115(2) 7_556 . . . ?
O5 C7 C8 C9 107.2(4) . . . . ?
O4 C7 C8 C9 -70.5(5) . . . . ?
C7 C8 C9 C10 177.6(4) . . . . ?
C8 C9 C10 C11 -178.7(4) . . . . ?
C9 C10 C11 O6 91.5(5) . . . . ?
C9 C10 C11 O7 -86.2(5) . . . . ?
C9 C10 C11 Gd1 157.3(16) . . . 3_445 ?
C2 C1 N1 O1 -179.2(4) . . . . ?
C2 C1 N1 C5 0.5(6) . . . . ?
C4 C5 N1 C1 -1.4(6) . . . . ?
C4 C5 N1 O1 178.3(3) . . . . ?
C1 N1 O1 Gd1 -108.9(3) . . . 3_445 ?
C5 N1 O1 Gd1 71.4(4) . . . 3_445 ?
C1 N1 O1 Gd1 86.7(4) . . . 7_546 ?
C5 N1 O1 Gd1 -93.0(3) . . . 7_546 ?
O3 C6 O2 Gd1 -5.2(4) . . . . ?
C4 C6 O2 Gd1 175.6(3) . . . . ?
O7 Gd1 O2 C6 92.6(3) 5_556 . . . ?
O5 Gd1 O2 C6 30.5(3) 7_556 . . . ?
O4 Gd1 O2 C6 168.6(3) . . . . ?
O6 Gd1 O2 C6 -139.1(2) 3 . . . ?
O1 Gd1 O2 C6 -55.0(3) 3 . . . ?
O1 Gd1 O2 C6 -109.3(3) 7_546 . . . ?
O3 Gd1 O2 C6 2.6(2) . . . . ?
O7 Gd1 O2 C6 134.7(2) 3 . . . ?
C11 Gd1 O2 C6 178.1(2) 3 . . . ?
Gd1 Gd1 O2 C6 110.1(2) 7_556 . . . ?
O2 C6 O3 Gd1 4.7(4) . . . . ?
C4 C6 O3 Gd1 -176.1(3) . . . . ?
O7 Gd1 O3 C6 -83.5(2) 5_556 . . . ?
O5 Gd1 O3 C6 -160.4(2) 7_556 . . . ?
O4 Gd1 O3 C6 -20.4(3) . . . . ?
O2 Gd1 O3 C6 -2.6(2) . . . . ?
O6 Gd1 O3 C6 126.6(3) 3 . . . ?
O1 Gd1 O3 C6 119.6(2) 3 . . . ?
O1 Gd1 O3 C6 59.4(2) 7_546 . . . ?
O7 Gd1 O3 C6 -128.4(2) 3 . . . ?
C11 Gd1 O3 C6 -174.6(3) 3 . . . ?
Gd1 Gd1 O3 C6 -101.0(2) 7_556 . . . ?
O5 C7 O4 Gd1 -44.5(6) . . . . ?
C8 C7 O4 Gd1 133.0(3) . . . . ?
O7 Gd1 O4 C7 -10.6(4) 5_556 . . . ?
O5 Gd1 O4 C7 40.4(4) 7_556 . . . ?
O2 Gd1 O4 C7 -91.4(4) . . . . ?
O6 Gd1 O4 C7 118.7(4) 3 . . . ?
O1 Gd1 O4 C7 169.4(3) 3 . . . ?
O1 Gd1 O4 C7 -164.6(4) 7_546 . . . ?
O3 Gd1 O4 C7 -77.3(4) . . . . ?
O7 Gd1 O4 C7 66.0(4) 3 . . . ?
C6 Gd1 O4 C7 -86.4(4) . . . . ?
C11 Gd1 O4 C7 94.2(4) 3 . . . ?
Gd1 Gd1 O4 C7 29.3(3) 7_556 . . . ?
O4 C7 O5 Gd1 23.8(7) . . . 7_556 ?
C8 C7 O5 Gd1 -153.6(3) . . . 7_556 ?
O7 C11 O6 Gd1 -13.2(4) . . . 3_445 ?
C10 C11 O6 Gd1 169.2(3) . . . 3_445 ?
O6 C11 O7 Gd1 149.9(5) . . . 5_556 ?
C10 C11 O7 Gd1 -32.4(9) . . . 5_556 ?
Gd1 C11 O7 Gd1 137.8(7) 3_445 . . 5_556 ?
O6 C11 O7 Gd1 12.1(4) . . . 3_445 ?
C10 C11 O7 Gd1 -170.3(4) . . . 3_445 ?

_diffrn_measured_fraction_theta_max 0.992
_diffrn_reflns_theta_full        27.51
_diffrn_measured_fraction_theta_full 0.992
_refine_diff_density_max         0.768
_refine_diff_density_min         -0.479
_refine_diff_density_rms         0.107
####################################################################### 
# 
# 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_1
_database_code_depnum_ccdc_archive 'CCDC 1425344'
_audit_update_record             
;
2015-09-17 deposited with the CCDC.
2015-10-22 downloaded from the CCDC.
;

_audit_creation_method           SHELXL-97
_chemical_name_systematic        
; 
 ? 
;
_chemical_name_common            ?
_chemical_melting_point          ?
_chemical_formula_moiety         ?
_chemical_formula_sum            'C11 H10.50 Eu N O7.25'
_chemical_formula_weight         424.66

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'
Eu Eu -0.1578 3.6682 '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                   11.546(2)
_cell_length_b                   11.409(2)
_cell_length_c                   18.076(4)
_cell_angle_alpha                90.00
_cell_angle_beta                 92.06(3)
_cell_angle_gamma                90.00
_cell_volume                     2379.7(8)
_cell_formula_units_Z            8
_cell_measurement_temperature    173(2)
_cell_measurement_reflns_used    3933
_cell_measurement_theta_min      2.2550
_cell_measurement_theta_max      27.4643

_exptl_crystal_description       plate
_exptl_crystal_colour            'light yellow'
_exptl_crystal_size_max          0.29
_exptl_crystal_size_mid          0.24
_exptl_crystal_size_min          0.07
_exptl_crystal_density_meas      ?
_exptl_crystal_density_diffrn    2.371
_exptl_crystal_density_method    'not measured'
_exptl_crystal_F_000             1636
_exptl_absorpt_coefficient_mu    5.308
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_correction_T_min  0.47448
_exptl_absorpt_correction_T_max  1.0000
_exptl_absorpt_process_details   ?

_exptl_special_details           
; 
 ? 
;

_diffrn_ambient_temperature      173(2)
_diffrn_radiation_wavelength     0.71073
_diffrn_radiation_type           MoK\a
_diffrn_radiation_source         'fine-focus sealed tube'
_diffrn_radiation_monochromator  graphite
_diffrn_measurement_device_type  'CCD area dtetector'
_diffrn_measurement_method       'phi and omega scans'
_diffrn_detector_area_resol_mean '15x15 microns'
_diffrn_standards_number         ?
_diffrn_standards_interval_count ?
_diffrn_standards_interval_time  ?
_diffrn_standards_decay_%        ?
_diffrn_reflns_number            7690
_diffrn_reflns_av_R_equivalents  0.0261
_diffrn_reflns_av_sigmaI/netI    0.0234
_diffrn_reflns_limit_h_min       -14
_diffrn_reflns_limit_h_max       14
_diffrn_reflns_limit_k_min       -11
_diffrn_reflns_limit_k_max       14
_diffrn_reflns_limit_l_min       -23
_diffrn_reflns_limit_l_max       16
_diffrn_reflns_theta_min         3.33
_diffrn_reflns_theta_max         27.46
_reflns_number_total             2705
_reflns_number_gt                2658
_reflns_threshold_expression     >2sigma(I)

_computing_data_collection       'SMART (Bruker, 2000)'
_computing_cell_refinement       SMART
_computing_data_reduction        'SAINT (Bruker, 2000)'
_computing_structure_solution    'SHELXS-97 (Sheldrick, 1990)'
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 1997)'
_computing_molecular_graphics    'SHELXL-97 (Sheldrick, 1997)'
_computing_publication_material  'SHELXL-97 (Sheldrick, 1997)'

_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)+(0.0133P)²+18.7241P] where P=(Fo²+2Fc²)/3'
_atom_sites_solution_primary     direct
_atom_sites_solution_secondary   difmap
_atom_sites_solution_hydrogens   geom
_refine_ls_hydrogen_treatment    constr
_refine_ls_extinction_method     none
_refine_ls_extinction_coef       ?
_refine_ls_number_reflns         2705
_refine_ls_number_parameters     186
_refine_ls_number_restraints     6
_refine_ls_R_factor_all          0.0248
_refine_ls_R_factor_gt           0.0241
_refine_ls_wR_factor_ref         0.0552
_refine_ls_wR_factor_gt          0.0549
_refine_ls_goodness_of_fit_ref   1.138
_refine_ls_restrained_S_all      1.143
_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 0.349925(14) 0.107192(14) 0.486646(9) 0.01412(6) Uani 1 1 d . . .
C1 C 0.1161(3) -0.4132(3) 0.3271(2) 0.0236(8) Uani 1 1 d . . .
H1 H 0.0843 -0.4839 0.3107 0.028 Uiso 1 1 calc R . .
C2 C 0.1773(4) -0.3449(4) 0.2798(2) 0.0271(9) Uani 1 1 d . . .
H2 H 0.1872 -0.3689 0.2313 0.033 Uiso 1 1 calc R . .
C3 C 0.2246(3) -0.2396(3) 0.3049(2) 0.0234(8) Uani 1 1 d . . .
H3 H 0.2677 -0.1935 0.2736 0.028 Uiso 1 1 calc R . .
C4 C 0.2074(3) -0.2034(3) 0.3769(2) 0.0169(7) Uani 1 1 d . . .
C5 C 0.1446(3) -0.2754(3) 0.4227(2) 0.0153(7) Uani 1 1 d . . .
H5 H 0.1320 -0.2525 0.4711 0.018 Uiso 1 1 calc R . .
C6 C 0.2543(3) -0.0903(3) 0.4093(2) 0.0171(7) Uani 1 1 d . . .
C7 C 0.1585(3) 0.1509(3) 0.6209(2) 0.0175(7) Uani 1 1 d . . .
C8 C 0.0826(3) 0.0687(3) 0.6630(2) 0.0193(7) Uani 1 1 d . . .
H8A H 0.0189 0.1113 0.6840 0.023 Uiso 1 1 calc R . .
H8B H 0.1271 0.0313 0.7029 0.023 Uiso 1 1 calc R . .
C9 C 0.0364(3) -0.0232(3) 0.6078(2) 0.0227(8) Uani 1 1 d . . .
H9A H -0.0100 0.0159 0.5694 0.027 Uiso 1 1 calc R . .
H9B H 0.1014 -0.0600 0.5845 0.027 Uiso 1 1 calc R . .
C10 C -0.0369(3) -0.1180(3) 0.6427(2) 0.0203(7) Uani 1 1 d . . .
H10A H 0.0076 -0.1579 0.6816 0.024 Uiso 1 1 calc R . .
H10B H -0.1049 -0.0835 0.6640 0.024 Uiso 1 1 calc R . .
C11 C -0.0727(3) -0.2033(3) 0.5827(2) 0.0175(7) Uani 1 1 d . . .
N1 N 0.1020(3) -0.3777(3) 0.39724(18) 0.0169(6) Uani 1 1 d . . .
O1 O 0.0428(2) -0.4468(2) 0.44320(15) 0.0193(5) Uani 1 1 d . . .
O2 O 0.2370(2) -0.0720(2) 0.47671(14) 0.0197(5) Uani 1 1 d . . .
O3 O 0.3063(2) -0.0194(2) 0.36931(16) 0.0233(6) Uani 1 1 d . . .
O4 O 0.2532(2) 0.1088(2) 0.60021(15) 0.0194(5) Uani 1 1 d . . .
O5 O 0.1204(2) 0.2525(2) 0.60736(15) 0.0211(5) Uani 1 1 d . . .
O6 O -0.0126(2) -0.2916(2) 0.57120(16) 0.0234(6) Uani 1 1 d . . .
O7 O -0.1619(2) -0.1811(2) 0.54155(15) 0.0198(5) Uani 1 1 d . . .
O1W O 0.0000 -0.6311(19) 0.2500 0.190(13) Uani 0.50 2 d SPU . .


_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 O7 2.368(3) 5_556 ?
Eu1 O5 2.368(3) 7_556 ?
Eu1 O4 2.372(3) . ?
Eu1 O2 2.429(3) . ?
Eu1 O6 2.452(3) 3 ?
Eu1 O1 2.466(3) 3 ?
Eu1 O1 2.526(3) 7_546 ?
Eu1 O3 2.600(3) . ?
Eu1 O7 2.617(3) 3 ?
Eu1 C6 2.853(4) . ?
Eu1 C11 2.895(4) 3 ?
Eu1 Eu1 4.0320(7) 7_556 ?
C1 N1 1.346(5) . ?
C1 C2 1.372(6) . ?
C1 H1 0.9300 . ?
C2 C3 1.389(6) . ?
C2 H2 0.9300 . ?
C3 C4 1.385(5) . ?
C3 H3 0.9300 . ?
C4 C5 1.389(5) . ?
C4 C6 1.510(5) . ?
C5 N1 1.342(4) . ?
C5 H5 0.9300 . ?
C6 O3 1.252(4) . ?
C6 O2 1.260(5) . ?
C7 O5 1.261(4) . ?
C7 O4 1.264(4) . ?
C7 C8 1.508(5) . ?
C8 C9 1.530(5) . ?
C8 H8A 0.9700 . ?
C8 H8B 0.9700 . ?
C9 C10 1.524(5) . ?
C9 H9A 0.9700 . ?
C9 H9B 0.9700 . ?
C10 C11 1.502(5) . ?
C10 H10A 0.9700 . ?
C10 H10B 0.9700 . ?
C11 O6 1.245(4) . ?
C11 O7 1.274(4) . ?
C11 Eu1 2.895(4) 3_445 ?
N1 O1 1.349(4) . ?
O1 Eu1 2.466(3) 3_445 ?
O1 Eu1 2.526(3) 7_546 ?
O5 Eu1 2.368(3) 7_556 ?
O6 Eu1 2.452(3) 3_445 ?
O7 Eu1 2.368(3) 5_556 ?
O7 Eu1 2.617(3) 3_445 ?

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 Eu1 O5 76.10(9) 5_556 7_556 ?
O7 Eu1 O4 74.16(9) 5_556 . ?
O5 Eu1 O4 134.46(9) 7_556 . ?
O7 Eu1 O2 78.35(9) 5_556 . ?
O5 Eu1 O2 127.38(9) 7_556 . ?
O4 Eu1 O2 78.60(9) . . ?
O7 Eu1 O6 122.29(9) 5_556 3 ?
O5 Eu1 O6 91.26(10) 7_556 3 ?
O4 Eu1 O6 76.76(9) . 3 ?
O2 Eu1 O6 140.93(9) . 3 ?
O7 Eu1 O1 148.44(9) 5_556 3 ?
O5 Eu1 O1 77.59(9) 7_556 3 ?
O4 Eu1 O1 137.40(9) . 3 ?
O2 Eu1 O1 104.76(8) . 3 ?
O6 Eu1 O1 75.21(9) 3 3 ?
O7 Eu1 O1 142.73(8) 5_556 7_546 ?
O5 Eu1 O1 140.27(8) 7_556 7_546 ?
O4 Eu1 O1 78.97(9) . 7_546 ?
O2 Eu1 O1 71.32(8) . 7_546 ?
O6 Eu1 O1 74.54(9) 3 7_546 ?
O1 Eu1 O1 63.03(10) 3 7_546 ?
O7 Eu1 O3 82.71(9) 5_556 . ?
O5 Eu1 O3 79.57(9) 7_556 . ?
O4 Eu1 O3 128.83(9) . . ?
O2 Eu1 O3 52.00(8) . . ?
O6 Eu1 O3 150.69(9) 3 . ?
O1 Eu1 O3 75.64(9) 3 . ?
O1 Eu1 O3 94.84(9) 7_546 . ?
O7 Eu1 O7 72.12(9) 5_556 3 ?
O5 Eu1 O7 70.06(9) 7_556 3 ?
O4 Eu1 O7 68.41(8) . 3 ?
O2 Eu1 O7 140.36(8) . 3 ?
O6 Eu1 O7 50.97(8) 3 3 ?
O1 Eu1 O7 114.29(8) 3 3 ?
O1 Eu1 O7 120.64(8) 7_546 3 ?
O3 Eu1 O7 144.18(8) . 3 ?
O7 Eu1 C6 80.81(10) 5_556 . ?
O5 Eu1 C6 104.21(10) 7_556 . ?
O4 Eu1 C6 104.16(10) . . ?
O2 Eu1 C6 26.04(10) . . ?
O6 Eu1 C6 155.19(9) 3 . ?
O1 Eu1 C6 89.11(9) 3 . ?
O1 Eu1 C6 81.26(10) 7_546 . ?
O3 Eu1 C6 26.02(9) . . ?
O7 Eu1 C6 152.92(9) 3 . ?
O7 Eu1 C11 97.12(10) 5_556 3 ?
O5 Eu1 C11 82.88(10) 7_556 3 ?
O4 Eu1 C11 67.65(9) . 3 ?
O2 Eu1 C11 145.76(9) . 3 ?
O6 Eu1 C11 25.22(9) 3 3 ?
O1 Eu1 C11 96.60(9) 3 3 ?
O1 Eu1 C11 96.00(10) 7_546 3 ?
O3 Eu1 C11 161.96(9) . 3 ?
O7 Eu1 C11 26.12(9) 3 3 ?
C6 Eu1 C11 171.77(10) . 3 ?
O7 Eu1 Eu1 38.14(6) 5_556 7_556 ?
O5 Eu1 Eu1 68.76(6) 7_556 7_556 ?
O4 Eu1 Eu1 66.48(6) . 7_556 ?
O2 Eu1 Eu1 112.40(6) . 7_556 ?
O6 Eu1 Eu1 84.55(6) 3 7_556 ?
O1 Eu1 Eu1 140.12(6) 3 7_556 ?
O1 Eu1 Eu1 142.94(6) 7_546 7_556 ?
O3 Eu1 Eu1 116.85(6) . 7_556 ?
O7 Eu1 Eu1 33.98(5) 3 7_556 ?
C6 Eu1 Eu1 118.95(7) . 7_556 ?
C11 Eu1 Eu1 59.35(7) 3 7_556 ?
N1 C1 C2 119.9(4) . . ?
N1 C1 H1 120.0 . . ?
C2 C1 H1 120.0 . . ?
C1 C2 C3 119.5(4) . . ?
C1 C2 H2 120.2 . . ?
C3 C2 H2 120.2 . . ?
C4 C3 C2 119.7(4) . . ?
C4 C3 H3 120.1 . . ?
C2 C3 H3 120.1 . . ?
C3 C4 C5 118.7(3) . . ?
C3 C4 C6 123.8(3) . . ?
C5 C4 C6 117.5(3) . . ?
N1 C5 C4 120.1(3) . . ?
N1 C5 H5 119.9 . . ?
C4 C5 H5 119.9 . . ?
O3 C6 O2 123.2(3) . . ?
O3 C6 C4 120.1(3) . . ?
O2 C6 C4 116.7(3) . . ?
O3 C6 Eu1 65.6(2) . . ?
O2 C6 Eu1 57.82(18) . . ?
C4 C6 Eu1 172.9(3) . . ?
O5 C7 O4 126.2(3) . . ?
O5 C7 C8 117.7(3) . . ?
O4 C7 C8 116.0(3) . . ?
C7 C8 C9 107.0(3) . . ?
C7 C8 H8A 110.3 . . ?
C9 C8 H8A 110.3 . . ?
C7 C8 H8B 110.3 . . ?
C9 C8 H8B 110.3 . . ?
H8A C8 H8B 108.6 . . ?
C10 C9 C8 113.8(3) . . ?
C10 C9 H9A 108.8 . . ?
C8 C9 H9A 108.8 . . ?
C10 C9 H9B 108.8 . . ?
C8 C9 H9B 108.8 . . ?
H9A C9 H9B 107.7 . . ?
C11 C10 C9 107.7(3) . . ?
C11 C10 H10A 110.2 . . ?
C9 C10 H10A 110.2 . . ?
C11 C10 H10B 110.2 . . ?
C9 C10 H10B 110.2 . . ?
H10A C10 H10B 108.5 . . ?
O6 C11 O7 120.4(3) . . ?
O6 C11 C10 120.3(3) . . ?
O7 C11 C10 119.2(3) . . ?
O6 C11 Eu1 57.08(19) . 3_445 ?
O7 C11 Eu1 64.66(19) . 3_445 ?
C10 C11 Eu1 170.7(3) . 3_445 ?
C5 N1 C1 122.0(3) . . ?
C5 N1 O1 119.0(3) . . ?
C1 N1 O1 119.0(3) . . ?
N1 O1 Eu1 122.26(19) . 3_445 ?
N1 O1 Eu1 118.81(19) . 7_546 ?
Eu1 O1 Eu1 116.97(10) 3_445 7_546 ?
C6 O2 Eu1 96.1(2) . . ?
C6 O3 Eu1 88.3(2) . . ?
C7 O4 Eu1 134.3(2) . . ?
C7 O5 Eu1 134.6(2) . 7_556 ?
C11 O6 Eu1 97.7(2) . 3_445 ?
C11 O7 Eu1 155.8(2) . 5_556 ?
C11 O7 Eu1 89.2(2) . 3_445 ?
Eu1 O7 Eu1 107.88(9) 5_556 3_445 ?

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
N1 C1 C2 C3 0.1(6) . . . . ?
C1 C2 C3 C4 -1.4(6) . . . . ?
C2 C3 C4 C5 1.2(5) . . . . ?
C2 C3 C4 C6 -179.6(3) . . . . ?
C3 C4 C5 N1 0.1(5) . . . . ?
C6 C4 C5 N1 -179.1(3) . . . . ?
C3 C4 C6 O3 4.5(5) . . . . ?
C5 C4 C6 O3 -176.3(3) . . . . ?
C3 C4 C6 O2 -176.3(3) . . . . ?
C5 C4 C6 O2 2.9(5) . . . . ?
C3 C4 C6 Eu1 -138.3(18) . . . . ?
C5 C4 C6 Eu1 41(2) . . . . ?
O7 Eu1 C6 O3 92.2(2) 5_556 . . . ?
O5 Eu1 C6 O3 19.2(2) 7_556 . . . ?
O4 Eu1 C6 O3 163.2(2) . . . . ?
O2 Eu1 C6 O3 174.5(4) . . . . ?
O6 Eu1 C6 O3 -107.8(3) 3 . . . ?
O1 Eu1 C6 O3 -57.8(2) 3 . . . ?
O1 Eu1 C6 O3 -120.6(2) 7_546 . . . ?
O7 Eu1 C6 O3 93.1(3) 3 . . . ?
C11 Eu1 C6 O3 168.3(6) 3 . . . ?
Eu1 Eu1 C6 O3 92.5(2) 7_556 . . . ?
O7 Eu1 C6 O2 -82.3(2) 5_556 . . . ?
O5 Eu1 C6 O2 -155.3(2) 7_556 . . . ?
O4 Eu1 C6 O2 -11.3(2) . . . . ?
O6 Eu1 C6 O2 77.7(3) 3 . . . ?
O1 Eu1 C6 O2 127.8(2) 3 . . . ?
O1 Eu1 C6 O2 64.9(2) 7_546 . . . ?
O3 Eu1 C6 O2 -174.5(4) . . . . ?
O7 Eu1 C6 O2 -81.4(3) 3 . . . ?
C11 Eu1 C6 O2 -6.2(8) 3 . . . ?
Eu1 Eu1 C6 O2 -82.0(2) 7_556 . . . ?
O7 Eu1 C6 C4 -123(2) 5_556 . . . ?
O5 Eu1 C6 C4 164.1(19) 7_556 . . . ?
O4 Eu1 C6 C4 -52(2) . . . . ?
O2 Eu1 C6 C4 -40.6(19) . . . . ?
O6 Eu1 C6 C4 37(2) 3 . . . ?
O1 Eu1 C6 C4 87(2) 3 . . . ?
O1 Eu1 C6 C4 24.4(19) 7_546 . . . ?
O3 Eu1 C6 C4 145(2) . . . . ?
O7 Eu1 C6 C4 -121.9(19) 3 . . . ?
C11 Eu1 C6 C4 -47(2) 3 . . . ?
Eu1 Eu1 C6 C4 -122.5(19) 7_556 . . . ?
O5 C7 C8 C9 107.6(4) . . . . ?
O4 C7 C8 C9 -69.9(4) . . . . ?
C7 C8 C9 C10 176.6(3) . . . . ?
C8 C9 C10 C11 -178.2(3) . . . . ?
C9 C10 C11 O6 92.2(4) . . . . ?
C9 C10 C11 O7 -84.4(4) . . . . ?
C9 C10 C11 Eu1 163.2(14) . . . 3_445 ?
C4 C5 N1 C1 -1.4(5) . . . . ?
C4 C5 N1 O1 179.0(3) . . . . ?
C2 C1 N1 C5 1.3(5) . . . . ?
C2 C1 N1 O1 -179.2(3) . . . . ?
C5 N1 O1 Eu1 69.3(3) . . . 3_445 ?
C1 N1 O1 Eu1 -110.3(3) . . . 3_445 ?
C5 N1 O1 Eu1 -94.3(3) . . . 7_546 ?
C1 N1 O1 Eu1 86.1(3) . . . 7_546 ?
O3 C6 O2 Eu1 -6.0(4) . . . . ?
C4 C6 O2 Eu1 174.9(3) . . . . ?
O7 Eu1 O2 C6 92.9(2) 5_556 . . . ?
O5 Eu1 O2 C6 30.7(2) 7_556 . . . ?
O4 Eu1 O2 C6 168.8(2) . . . . ?
O6 Eu1 O2 C6 -139.4(2) 3 . . . ?
O1 Eu1 O2 C6 -54.8(2) 3 . . . ?
O1 Eu1 O2 C6 -109.1(2) 7_546 . . . ?
O3 Eu1 O2 C6 3.1(2) . . . . ?
O7 Eu1 O2 C6 135.1(2) 3 . . . ?
C11 Eu1 O2 C6 178.4(2) 3 . . . ?
Eu1 Eu1 O2 C6 110.4(2) 7_556 . . . ?
O2 C6 O3 Eu1 5.6(4) . . . . ?
C4 C6 O3 Eu1 -175.3(3) . . . . ?
O7 Eu1 O3 C6 -84.0(2) 5_556 . . . ?
O5 Eu1 O3 C6 -161.1(2) 7_556 . . . ?
O4 Eu1 O3 C6 -21.1(2) . . . . ?
O2 Eu1 O3 C6 -3.1(2) . . . . ?
O6 Eu1 O3 C6 125.3(2) 3 . . . ?
O1 Eu1 O3 C6 119.2(2) 3 . . . ?
O1 Eu1 O3 C6 58.6(2) 7_546 . . . ?
O7 Eu1 O3 C6 -129.0(2) 3 . . . ?
C11 Eu1 O3 C6 -174.6(3) 3 . . . ?
Eu1 Eu1 O3 C6 -101.5(2) 7_556 . . . ?
O5 C7 O4 Eu1 -45.8(5) . . . . ?
C8 C7 O4 Eu1 131.5(3) . . . . ?
O7 Eu1 O4 C7 -9.9(3) 5_556 . . . ?
O5 Eu1 O4 C7 41.1(4) 7_556 . . . ?
O2 Eu1 O4 C7 -90.9(3) . . . . ?
O6 Eu1 O4 C7 119.6(3) 3 . . . ?
O1 Eu1 O4 C7 169.6(3) 3 . . . ?
O1 Eu1 O4 C7 -163.8(3) 7_546 . . . ?
O3 Eu1 O4 C7 -76.5(3) . . . . ?
O7 Eu1 O4 C7 66.7(3) 3 . . . ?
C6 Eu1 O4 C7 -85.9(3) . . . . ?
C11 Eu1 O4 C7 94.9(3) 3 . . . ?
Eu1 Eu1 O4 C7 29.9(3) 7_556 . . . ?
O4 C7 O5 Eu1 25.0(6) . . . 7_556 ?
C8 C7 O5 Eu1 -152.2(3) . . . 7_556 ?
O7 C11 O6 Eu1 -13.9(4) . . . 3_445 ?
C10 C11 O6 Eu1 169.6(3) . . . 3_445 ?
O6 C11 O7 Eu1 148.9(4) . . . 5_556 ?
C10 C11 O7 Eu1 -34.5(8) . . . 5_556 ?
Eu1 C11 O7 Eu1 136.0(6) 3_445 . . 5_556 ?
O6 C11 O7 Eu1 12.9(3) . . . 3_445 ?
C10 C11 O7 Eu1 -170.5(3) . . . 3_445 ?

_diffrn_measured_fraction_theta_max 0.991
_diffrn_reflns_theta_full        27.46
_diffrn_measured_fraction_theta_full 0.991
_refine_diff_density_max         0.878
_refine_diff_density_min         -0.941
_refine_diff_density_rms         0.106
