# Electronic Supplementary Material (ESI) for CrystEngComm.
# 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_1763
_database_code_depnum_ccdc_archive 'CCDC 1041081'
_audit_update_record             
;
2015-03-30 deposited with the CCDC.
2015-04-20 downloaded from the CCDC.
;

_audit_creation_method           SHELXL-97
_chemical_name_systematic        
; 
 ? 
;
_chemical_name_common            ?
_chemical_melting_point          ?
_chemical_formula_moiety         ?
_chemical_formula_sum            'C16 H20 N2 O21 Tb2'
_chemical_formula_weight         894.18

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'
Tb Tb -0.1723 4.1537 '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'

_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                   7.6957(3)
_cell_length_b                   10.2182(5)
_cell_length_c                   15.9408(9)
_cell_angle_alpha                86.945(4)
_cell_angle_beta                 86.035(4)
_cell_angle_gamma                76.831(4)
_cell_volume                     1216.73(10)
_cell_formula_units_Z            2
_cell_measurement_temperature    100(2)
_cell_measurement_reflns_used    3811
_cell_measurement_theta_min      2.9348
_cell_measurement_theta_max      29.2345


_exptl_crystal_description       block
_exptl_crystal_colour            'pale yellow'

_exptl_crystal_size_max          0.04
_exptl_crystal_size_mid          0.03
_exptl_crystal_size_min          0.01
_exptl_crystal_density_meas      ?
_exptl_crystal_density_diffrn    2.441
_exptl_crystal_density_method    'not measured'
_exptl_crystal_F_000             856
_exptl_absorpt_coefficient_mu    5.871
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_correction_T_min  0.7991
_exptl_absorpt_correction_T_max  0.9712
_exptl_absorpt_process_details   ?

_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  'Xcalibur, Eos, Gemini'
_diffrn_measurement_method       'ω scans'
_diffrn_detector_area_resol_mean 16.0971

_diffrn_standards_number         ?
_diffrn_standards_interval_count ?
_diffrn_standards_interval_time  ?
_diffrn_standards_decay_%        ?
_diffrn_reflns_number            8279
_diffrn_reflns_av_R_equivalents  0.0500
_diffrn_reflns_av_sigmaI/netI    0.0710
_diffrn_reflns_limit_h_min       -9
_diffrn_reflns_limit_h_max       7
_diffrn_reflns_limit_k_min       -12
_diffrn_reflns_limit_k_max       10
_diffrn_reflns_limit_l_min       -19
_diffrn_reflns_limit_l_max       19
_diffrn_reflns_theta_min         2.94
_diffrn_reflns_theta_max         26.00
_reflns_number_total             4781
_reflns_number_gt                4010
_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 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. 
Restraints employed:
DFIX 0.85 0.01 O16w H16a O16w H16b
DFIX 0.85 0.01 O19w H19a O19w H19b
DFIX 0.85 0.01 O15w H15a O15w H15b
DFIX 0.85 0.01 O20w H20a O20w H20b
DFIX 0.85 0.01 O21w H21a O21w H21b
DFIX 0.85 0.01 O17w H17a O17w H17b
DFIX 0.85 0.01 O18w H18a O18w H18b
SADI 0.02 Eu1 H16a Eu1 H16b
SADI 0.02 Eu1 H15a Eu1 H15b
SADI 0.02 Eu2 H17a Eu2 H17b
DANG 1.387 0.02 H16b H16a
DANG 1.387 0.02 H19b H19a
DANG 1.387 0.02 H15b H15a
DANG 1.387 0.02 H20b H20a
DANG 1.387 0.02 H21b H21a
DANG 1.387 0.02 H17b H17a
DANG 1.387 0.02 H18b H18a
SIMU 0.002 0.004 1.7 C5 C4 C3 C11 C6
SIMU 0.004 0.008 1.7 C13 O8 O7
;

_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)+(0.0000P)²+0.0000P] 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     none
_refine_ls_extinction_coef       ?
_refine_ls_number_reflns         4781
_refine_ls_number_parameters     412
_refine_ls_number_restraints     57
_refine_ls_R_factor_all          0.0454
_refine_ls_R_factor_gt           0.0353
_refine_ls_wR_factor_ref         0.0664
_refine_ls_wR_factor_gt          0.0617
_refine_ls_goodness_of_fit_ref   1.025
_refine_ls_restrained_S_all      1.019
_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
Tb1 Tb 0.35401(3) 0.33674(3) 0.063406(19) 0.00735(8) Uani 1 1 d . . .
Tb2 Tb 0.61275(3) -0.12948(3) 0.324426(19) 0.00761(8) Uani 1 1 d . . .
O1 O 1.2102(5) 0.2960(4) -0.2231(3) 0.0121(9) Uani 1 1 d . . .
O2 O 1.1049(5) 0.0710(4) -0.2942(3) 0.0118(9) Uani 1 1 d . . .
O3 O 0.4894(5) 0.3548(4) -0.3485(3) 0.0143(10) Uani 1 1 d . . .
O4 O 0.6386(5) 0.1860(4) -0.2714(3) 0.0133(9) Uani 1 1 d . . .
O5 O 0.7542(5) 0.4440(4) -0.1175(3) 0.0114(9) Uani 1 1 d . . .
O6 O 0.5885(5) 0.3366(4) -0.0314(3) 0.0117(9) Uani 1 1 d . . .
O7 O -0.2150(5) 0.5162(4) 0.0474(3) 0.0101(9) Uani 1 1 d U . .
O8 O 0.0391(5) 0.3712(4) 0.0782(3) 0.0102(9) Uani 1 1 d U . .
O9 O 0.3388(5) -0.0306(4) 0.5768(3) 0.0124(10) Uani 1 1 d . . .
O10 O 0.4065(5) -0.1095(4) 0.4468(3) 0.0112(9) Uani 1 1 d . . .
O11 O 0.3964(5) 0.0905(4) 0.2999(3) 0.0126(9) Uani 1 1 d . . .
O12 O 0.6136(5) -0.0456(4) 0.1816(3) 0.0124(10) Uani 1 1 d . . .
O13 O 0.2908(5) 0.2518(4) 0.2025(3) 0.0114(9) Uani 1 1 d . . .
O14 O 0.4991(5) 0.1070(4) 0.0832(3) 0.0113(9) Uani 1 1 d . . .
O15W O 0.5960(5) 0.3596(5) 0.1445(3) 0.0172(10) Uani 1 1 d D . .
H15A H 0.609(8) 0.347(6) 0.1969(10) 0.026 Uiso 1 1 d D . .
H15B H 0.663(7) 0.408(5) 0.123(3) 0.026 Uiso 1 1 d D . .
O16W O 0.2748(5) 0.2106(4) -0.0478(3) 0.0162(10) Uani 1 1 d D . .
H16A H 0.327(7) 0.130(2) -0.057(3) 0.024 Uiso 1 1 d D . .
H16B H 0.230(7) 0.248(5) -0.093(2) 0.024 Uiso 1 1 d D . .
O17W O 0.8021(5) -0.2641(4) 0.4229(3) 0.0139(10) Uani 1 1 d D . .
H17A H 0.790(7) -0.343(2) 0.437(4) 0.021 Uiso 1 1 d D . .
H17B H 0.894(5) -0.249(5) 0.444(4) 0.021 Uiso 1 1 d D . .
O18W O 0.6906(6) 0.2732(4) 0.3087(3) 0.0217(11) Uani 1 1 d D . .
H18A H 0.636(6) 0.231(6) 0.345(3) 0.033 Uiso 1 1 d D . .
H18B H 0.801(2) 0.254(6) 0.318(4) 0.033 Uiso 1 1 d D . .
O19W O 0.2923(6) 0.4960(5) -0.4752(3) 0.0236(11) Uani 1 1 d D . .
H19A H 0.373(6) 0.487(6) -0.440(3) 0.035 Uiso 1 1 d D . .
H19B H 0.239(7) 0.578(2) -0.478(4) 0.035 Uiso 1 1 d D . .
O20W O 0.9652(5) -0.1196(4) -0.3673(3) 0.0195(11) Uani 1 1 d D . .
H20A H 0.8522(15) -0.094(5) -0.361(4) 0.029 Uiso 1 1 d D . .
H20B H 1.010(6) -0.056(4) -0.353(4) 0.029 Uiso 1 1 d D . .
O21W O 0.8857(5) 0.2338(4) -0.4851(3) 0.0162(10) Uani 1 1 d D . .
H21A H 0.955(6) 0.186(5) -0.521(3) 0.024 Uiso 1 1 d D . .
H21B H 0.800(5) 0.197(5) -0.469(4) 0.024 Uiso 1 1 d D . .
C1 C 1.0601(7) 0.4880(6) -0.2948(4) 0.0116(13) Uani 1 1 d . . .
H1 H 1.1620 0.5257 -0.2942 0.014 Uiso 1 1 calc R . .
C2 C 0.9112(7) 0.5574(6) -0.3352(4) 0.0149(14) Uani 1 1 d . . .
H2 H 0.9087 0.6442 -0.3603 0.018 Uiso 1 1 calc R . .
C3 C 0.7663(7) 0.4997(6) -0.3386(4) 0.0100(10) Uani 1 1 d U . .
H3 H 0.6662 0.5443 -0.3689 0.012 Uiso 1 1 calc R . .
C4 C 0.7674(7) 0.3765(6) -0.2978(4) 0.0093(8) Uani 1 1 d U . .
C5 C 0.9145(7) 0.3142(6) -0.2532(4) 0.0087(9) Uani 1 1 d U . .
C6 C 0.6210(7) 0.3013(6) -0.3057(4) 0.0098(10) Uani 1 1 d U . .
C7 C 1.0232(7) -0.0372(6) -0.1719(4) 0.0109(13) Uani 1 1 d . . .
H7 H 1.0959 -0.1197 -0.1906 0.013 Uiso 1 1 calc R . .
C8 C 0.9231(7) -0.0340(6) -0.0967(4) 0.0112(13) Uani 1 1 d . . .
H8 H 0.9237 -0.1144 -0.0637 0.013 Uiso 1 1 calc R . .
C9 C 0.8221(7) 0.0875(6) -0.0700(4) 0.0099(13) Uani 1 1 d . . .
H9 H 0.7527 0.0907 -0.0182 0.012 Uiso 1 1 calc R . .
C10 C 0.8203(7) 0.2042(6) -0.1174(4) 0.0085(13) Uani 1 1 d . . .
C11 C 0.9188(7) 0.1977(6) -0.1941(4) 0.0072(10) Uani 1 1 d U . .
C12 C 0.7121(7) 0.3400(6) -0.0879(4) 0.0085(13) Uani 1 1 d . . .
C13 C -0.0500(7) 0.4669(6) 0.0362(4) 0.0090(11) Uani 1 1 d U . .
C14 C 0.4273(7) -0.0412(6) 0.5065(4) 0.0104(13) Uani 1 1 d . . .
C15 C 0.5105(7) 0.0608(6) 0.1584(4) 0.0094(13) Uani 1 1 d . . .
C16 C 0.3883(7) 0.1427(6) 0.2265(4) 0.0129(14) Uani 1 1 d . . .
N1 N 1.0615(6) 0.3677(5) -0.2565(3) 0.0091(11) Uani 1 1 d . . .
N2 N 1.0176(6) 0.0773(5) -0.2187(3) 0.0085(11) Uani 1 1 d . . .


_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
Tb1 O6 2.272(4) . ?
Tb1 O14 2.373(4) . ?
Tb1 O8 2.365(3) . ?
Tb1 O5 2.390(4) 2_665 ?
Tb1 O15W 2.399(4) . ?
Tb1 O13 2.397(4) . ?
Tb1 O7 2.403(4) 2_565 ?
Tb1 O16W 2.434(4) . ?
Tb2 O17W 2.378(4) . ?
Tb2 O4 2.362(4) 2_655 ?
Tb2 O12 2.389(4) . ?
Tb2 O2 2.393(4) 2_755 ?
Tb2 O10 2.415(4) . ?
Tb2 O9 2.436(4) 2_656 ?
Tb2 O11 2.503(4) . ?
Tb2 O1 2.508(4) 2_755 ?
Tb2 O3 2.599(4) 2_655 ?
Tb2 C6 2.824(6) 2_655 ?
O1 N1 1.338(6) . ?
O1 Tb2 2.508(4) 2_755 ?
O2 N2 1.333(6) . ?
O2 Tb2 2.393(4) 2_755 ?
O3 C6 1.262(7) . ?
O3 Tb2 2.599(4) 2_655 ?
O4 C6 1.255(7) . ?
O4 Tb2 2.362(4) 2_655 ?
O5 C12 1.241(7) . ?
O5 Tb1 2.390(4) 2_665 ?
O6 C12 1.269(6) . ?
O7 C13 1.259(6) . ?
O7 Tb1 2.403(4) 2_565 ?
O8 C13 1.249(7) . ?
O9 C14 1.267(7) . ?
O9 Tb2 2.436(4) 2_656 ?
O10 C14 1.249(7) . ?
O11 C16 1.260(8) . ?
O12 C15 1.246(7) . ?
O13 C16 1.251(7) . ?
O14 C15 1.265(7) . ?
O15W H15A 0.848(10) . ?
O15W H15B 0.843(10) . ?
O16W H16A 0.849(10) . ?
O16W H16B 0.848(10) . ?
O17W H17A 0.849(10) . ?
O17W H17B 0.847(10) . ?
O18W H18A 0.849(10) . ?
O18W H18B 0.851(10) . ?
O19W H19A 0.853(10) . ?
O19W H19B 0.849(10) . ?
O20W H20A 0.849(10) . ?
O20W H20B 0.853(10) . ?
O21W H21A 0.851(10) . ?
O21W H21B 0.848(10) . ?
C1 N1 1.341(7) . ?
C1 C2 1.383(8) . ?
C1 H1 0.9500 . ?
C2 C3 1.381(8) . ?
C2 H2 0.9500 . ?
C3 C4 1.384(8) . ?
C3 H3 0.9500 . ?
C4 C5 1.388(8) . ?
C4 C6 1.516(7) . ?
C5 N1 1.361(6) . ?
C5 C11 1.474(8) . ?
C6 Tb2 2.824(6) 2_655 ?
C7 N2 1.348(7) . ?
C7 C8 1.377(8) . ?
C7 H7 0.9500 . ?
C8 C9 1.378(7) . ?
C8 H8 0.9500 . ?
C9 C10 1.376(8) . ?
C9 H9 0.9500 . ?
C10 C11 1.389(8) . ?
C10 C12 1.526(7) . ?
C11 N2 1.353(7) . ?
C13 C13 1.554(11) 2_565 ?
C14 C14 1.543(10) 2_656 ?
C15 C16 1.537(8) . ?

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
O6 Tb1 O14 82.69(13) . . ?
O6 Tb1 O8 143.67(15) . . ?
O14 Tb1 O8 112.31(13) . . ?
O6 Tb1 O5 110.19(13) . 2_665 ?
O14 Tb1 O5 150.20(15) . 2_665 ?
O8 Tb1 O5 73.62(12) . 2_665 ?
O6 Tb1 O15W 74.57(15) . . ?
O14 Tb1 O15W 80.02(15) . . ?
O8 Tb1 O15W 138.74(15) . . ?
O5 Tb1 O15W 77.99(15) 2_665 . ?
O6 Tb1 O13 140.26(14) . . ?
O14 Tb1 O13 68.29(13) . . ?
O8 Tb1 O13 74.80(14) . . ?
O5 Tb1 O13 86.43(13) 2_665 . ?
O15W Tb1 O13 74.13(14) . . ?
O6 Tb1 O7 78.09(13) . 2_565 ?
O14 Tb1 O7 138.05(14) . 2_565 ?
O8 Tb1 O7 68.79(13) . 2_565 ?
O5 Tb1 O7 71.74(14) 2_665 2_565 ?
O15W Tb1 O7 128.48(14) . 2_565 ?
O13 Tb1 O7 141.44(12) . 2_565 ?
O6 Tb1 O16W 79.61(14) . . ?
O14 Tb1 O16W 71.50(15) . . ?
O8 Tb1 O16W 74.83(14) . . ?
O5 Tb1 O16W 135.93(15) 2_665 . ?
O15W Tb1 O16W 143.57(15) . . ?
O13 Tb1 O16W 113.81(14) . . ?
O7 Tb1 O16W 68.56(14) 2_565 . ?
O17W Tb2 O4 124.96(14) . 2_655 ?
O17W Tb2 O12 141.59(13) . . ?
O4 Tb2 O12 75.91(14) 2_655 . ?
O17W Tb2 O2 76.01(14) . 2_755 ?
O4 Tb2 O2 147.45(15) 2_655 2_755 ?
O12 Tb2 O2 73.61(14) . 2_755 ?
O17W Tb2 O10 80.65(14) . . ?
O4 Tb2 O10 78.01(14) 2_655 . ?
O12 Tb2 O10 137.73(13) . . ?
O2 Tb2 O10 133.53(14) 2_755 . ?
O17W Tb2 O9 75.88(15) . 2_656 ?
O4 Tb2 O9 135.79(12) 2_655 2_656 ?
O12 Tb2 O9 113.18(14) . 2_656 ?
O2 Tb2 O9 68.67(12) 2_755 2_656 ?
O10 Tb2 O9 66.93(12) . 2_656 ?
O17W Tb2 O11 144.83(15) . . ?
O4 Tb2 O11 74.89(13) 2_655 . ?
O12 Tb2 O11 65.78(13) . . ?
O2 Tb2 O11 102.28(13) 2_755 . ?
O10 Tb2 O11 75.65(13) . . ?
O9 Tb2 O11 71.09(14) 2_656 . ?
O17W Tb2 O1 82.69(15) . 2_755 ?
O4 Tb2 O1 84.72(13) 2_655 2_755 ?
O12 Tb2 O1 66.31(13) . 2_755 ?
O2 Tb2 O1 72.84(12) 2_755 2_755 ?
O10 Tb2 O1 142.64(13) . 2_755 ?
O9 Tb2 O1 139.32(12) 2_656 2_755 ?
O11 Tb2 O1 131.10(14) . 2_755 ?
O17W Tb2 O3 72.69(14) . 2_655 ?
O4 Tb2 O3 52.56(14) 2_655 2_655 ?
O12 Tb2 O3 114.62(14) . 2_655 ?
O2 Tb2 O3 134.51(12) 2_755 2_655 ?
O10 Tb2 O3 72.01(13) . 2_655 ?
O9 Tb2 O3 131.33(14) 2_656 2_655 ?
O11 Tb2 O3 122.27(12) . 2_655 ?
O1 Tb2 O3 71.17(12) 2_755 2_655 ?
O17W Tb2 C6 98.94(16) . 2_655 ?
O4 Tb2 C6 26.10(16) 2_655 2_655 ?
O12 Tb2 C6 96.03(16) . 2_655 ?
O2 Tb2 C6 150.40(14) 2_755 2_655 ?
O10 Tb2 C6 72.32(15) . 2_655 ?
O9 Tb2 C6 139.24(14) 2_656 2_655 ?
O11 Tb2 C6 98.18(15) . 2_655 ?
O1 Tb2 C6 77.61(14) 2_755 2_655 ?
O3 Tb2 C6 26.50(15) 2_655 2_655 ?
N1 O1 Tb2 111.2(3) . 2_755 ?
N2 O2 Tb2 124.8(3) . 2_755 ?
C6 O3 Tb2 86.7(3) . 2_655 ?
C6 O4 Tb2 98.0(4) . 2_655 ?
C12 O5 Tb1 125.1(4) . 2_665 ?
C12 O6 Tb1 176.3(4) . . ?
C13 O7 Tb1 116.5(4) . 2_565 ?
C13 O8 Tb1 117.3(3) . . ?
C14 O9 Tb2 119.2(3) . 2_656 ?
C14 O10 Tb2 119.8(3) . . ?
C16 O11 Tb2 118.6(4) . . ?
C15 O12 Tb2 122.3(4) . . ?
C16 O13 Tb1 117.4(4) . . ?
C15 O14 Tb1 116.8(4) . . ?
Tb1 O15W H15A 130(4) . . ?
Tb1 O15W H15B 116(4) . . ?
H15A O15W H15B 111(3) . . ?
Tb1 O16W H16A 123(4) . . ?
Tb1 O16W H16B 122(4) . . ?
H16A O16W H16B 110(3) . . ?
Tb2 O17W H17A 121(4) . . ?
Tb2 O17W H17B 129(4) . . ?
H17A O17W H17B 110(3) . . ?
H18A O18W H18B 109(3) . . ?
H19A O19W H19B 108(3) . . ?
H20A O20W H20B 108(2) . . ?
H21A O21W H21B 110(3) . . ?
N1 C1 C2 120.4(5) . . ?
N1 C1 H1 119.8 . . ?
C2 C1 H1 119.8 . . ?
C1 C2 C3 119.5(6) . . ?
C1 C2 H2 120.2 . . ?
C3 C2 H2 120.2 . . ?
C4 C3 C2 119.8(6) . . ?
C4 C3 H3 120.1 . . ?
C2 C3 H3 120.1 . . ?
C5 C4 C3 118.9(5) . . ?
C5 C4 C6 118.4(5) . . ?
C3 C4 C6 122.5(5) . . ?
N1 C5 C4 120.1(5) . . ?
N1 C5 C11 115.4(5) . . ?
C4 C5 C11 124.2(5) . . ?
O3 C6 O4 122.5(5) . . ?
O3 C6 C4 119.1(5) . . ?
O4 C6 C4 118.4(5) . . ?
O3 C6 Tb2 66.8(3) . 2_655 ?
O4 C6 Tb2 55.9(3) . 2_655 ?
C4 C6 Tb2 172.0(4) . 2_655 ?
N2 C7 C8 119.7(5) . . ?
N2 C7 H7 120.1 . . ?
C8 C7 H7 120.1 . . ?
C9 C8 C7 118.9(6) . . ?
C9 C8 H8 120.5 . . ?
C7 C8 H8 120.5 . . ?
C8 C9 C10 120.9(5) . . ?
C8 C9 H9 119.6 . . ?
C10 C9 H9 119.6 . . ?
C9 C10 C11 119.0(5) . . ?
C9 C10 C12 121.5(5) . . ?
C11 C10 C12 119.5(5) . . ?
N2 C11 C10 119.0(5) . . ?
N2 C11 C5 117.4(5) . . ?
C10 C11 C5 123.6(5) . . ?
O6 C12 O5 124.9(5) . . ?
O6 C12 C10 116.3(5) . . ?
O5 C12 C10 118.8(5) . . ?
O7 C13 O8 125.9(5) . . ?
O7 C13 C13 116.2(7) . 2_565 ?
O8 C13 C13 117.9(6) . 2_565 ?
O9 C14 O10 126.5(5) . . ?
O9 C14 C14 116.1(7) . 2_656 ?
O10 C14 C14 117.3(6) . 2_656 ?
O12 C15 O14 125.2(5) . . ?
O12 C15 C16 117.4(6) . . ?
O14 C15 C16 117.4(5) . . ?
O13 C16 O11 127.8(6) . . ?
O13 C16 C15 116.5(6) . . ?
O11 C16 C15 115.8(5) . . ?
O1 N1 C1 120.3(4) . . ?
O1 N1 C5 118.7(5) . . ?
C1 N1 C5 120.9(5) . . ?
O2 N2 C7 119.0(4) . . ?
O2 N2 C11 118.5(5) . . ?
C7 N2 C11 122.4(5) . . ?

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
O14 Tb1 O6 C12 129(6) . . . . ?
O8 Tb1 O6 C12 11(6) . . . . ?
O5 Tb1 O6 C12 -79(6) 2_665 . . . ?
O15W Tb1 O6 C12 -150(6) . . . . ?
O13 Tb1 O6 C12 171(6) . . . . ?
O7 Tb1 O6 C12 -14(6) 2_565 . . . ?
O16W Tb1 O6 C12 56(6) . . . . ?
O6 Tb1 O8 C13 -40.8(5) . . . . ?
O14 Tb1 O8 C13 -149.8(4) . . . . ?
O5 Tb1 O8 C13 61.2(4) 2_665 . . . ?
O15W Tb1 O8 C13 109.6(4) . . . . ?
O13 Tb1 O8 C13 151.9(4) . . . . ?
O7 Tb1 O8 C13 -15.1(4) 2_565 . . . ?
O16W Tb1 O8 C13 -87.6(4) . . . . ?
O17W Tb2 O10 C14 71.4(4) . . . . ?
O4 Tb2 O10 C14 -159.6(4) 2_655 . . . ?
O12 Tb2 O10 C14 -106.8(4) . . . . ?
O2 Tb2 O10 C14 11.1(5) 2_755 . . . ?
O9 Tb2 O10 C14 -7.1(4) 2_656 . . . ?
O11 Tb2 O10 C14 -82.4(4) . . . . ?
O1 Tb2 O10 C14 136.1(4) 2_755 . . . ?
O3 Tb2 O10 C14 146.1(5) 2_655 . . . ?
C6 Tb2 O10 C14 174.0(5) 2_655 . . . ?
O17W Tb2 O11 C16 148.2(4) . . . . ?
O4 Tb2 O11 C16 -81.4(4) 2_655 . . . ?
O12 Tb2 O11 C16 -0.3(4) . . . . ?
O2 Tb2 O11 C16 65.2(4) 2_755 . . . ?
O10 Tb2 O11 C16 -162.6(4) . . . . ?
O9 Tb2 O11 C16 127.3(4) 2_656 . . . ?
O1 Tb2 O11 C16 -12.7(5) 2_755 . . . ?
O3 Tb2 O11 C16 -105.2(4) 2_655 . . . ?
C6 Tb2 O11 C16 -93.3(4) 2_655 . . . ?
O17W Tb2 O12 C15 -153.1(4) . . . . ?
O4 Tb2 O12 C15 77.6(4) 2_655 . . . ?
O2 Tb2 O12 C15 -114.0(4) 2_755 . . . ?
O10 Tb2 O12 C15 24.0(5) . . . . ?
O9 Tb2 O12 C15 -56.6(4) 2_656 . . . ?
O11 Tb2 O12 C15 -2.0(4) . . . . ?
O1 Tb2 O12 C15 167.9(4) 2_755 . . . ?
O3 Tb2 O12 C15 114.0(4) 2_655 . . . ?
C6 Tb2 O12 C15 94.3(4) 2_655 . . . ?
O6 Tb1 O13 C16 -31.0(5) . . . . ?
O14 Tb1 O13 C16 15.1(4) . . . . ?
O8 Tb1 O13 C16 137.2(4) . . . . ?
O5 Tb1 O13 C16 -148.8(4) 2_665 . . . ?
O15W Tb1 O13 C16 -70.3(4) . . . . ?
O7 Tb1 O13 C16 156.8(4) 2_565 . . . ?
O16W Tb1 O13 C16 71.8(4) . . . . ?
O6 Tb1 O14 C15 136.1(4) . . . . ?
O8 Tb1 O14 C15 -78.3(4) . . . . ?
O5 Tb1 O14 C15 17.6(5) 2_665 . . . ?
O15W Tb1 O14 C15 60.5(4) . . . . ?
O13 Tb1 O14 C15 -16.2(4) . . . . ?
O7 Tb1 O14 C15 -160.9(3) 2_565 . . . ?
O16W Tb1 O14 C15 -142.5(4) . . . . ?
N1 C1 C2 C3 -2.5(9) . . . . ?
C1 C2 C3 C4 3.5(9) . . . . ?
C2 C3 C4 C5 0.8(8) . . . . ?
C2 C3 C4 C6 -174.1(5) . . . . ?
C3 C4 C5 N1 -6.2(8) . . . . ?
C6 C4 C5 N1 168.9(5) . . . . ?
C3 C4 C5 C11 167.6(5) . . . . ?
C6 C4 C5 C11 -17.3(8) . . . . ?
Tb2 O3 C6 O4 -3.8(6) 2_655 . . . ?
Tb2 O3 C6 C4 173.9(5) 2_655 . . . ?
Tb2 O4 C6 O3 4.2(6) 2_655 . . . ?
Tb2 O4 C6 C4 -173.5(4) 2_655 . . . ?
C5 C4 C6 O3 -177.6(5) . . . . ?
C3 C4 C6 O3 -2.7(8) . . . . ?
C5 C4 C6 O4 0.2(8) . . . . ?
C3 C4 C6 O4 175.1(5) . . . . ?
C5 C4 C6 Tb2 -42(3) . . . 2_655 ?
C3 C4 C6 Tb2 133(3) . . . 2_655 ?
N2 C7 C8 C9 -1.5(9) . . . . ?
C7 C8 C9 C10 0.1(9) . . . . ?
C8 C9 C10 C11 1.6(9) . . . . ?
C8 C9 C10 C12 -178.7(5) . . . . ?
C9 C10 C11 N2 -1.9(8) . . . . ?
C12 C10 C11 N2 178.4(5) . . . . ?
C9 C10 C11 C5 174.6(5) . . . . ?
C12 C10 C11 C5 -5.1(8) . . . . ?
N1 C5 C11 N2 -78.0(7) . . . . ?
C4 C5 C11 N2 108.0(6) . . . . ?
N1 C5 C11 C10 105.5(6) . . . . ?
C4 C5 C11 C10 -68.6(8) . . . . ?
Tb1 O6 C12 O5 69(6) . . . . ?
Tb1 O6 C12 C10 -114(6) . . . . ?
Tb1 O5 C12 O6 9.6(8) 2_665 . . . ?
Tb1 O5 C12 C10 -167.4(4) 2_665 . . . ?
C9 C10 C12 O6 -18.8(8) . . . . ?
C11 C10 C12 O6 160.8(5) . . . . ?
C9 C10 C12 O5 158.4(6) . . . . ?
C11 C10 C12 O5 -21.9(8) . . . . ?
Tb1 O7 C13 O8 -166.2(5) 2_565 . . . ?
Tb1 O7 C13 C13 14.2(8) 2_565 . . 2_565 ?
Tb1 O8 C13 O7 -165.6(4) . . . . ?
Tb1 O8 C13 C13 13.9(8) . . . 2_565 ?
Tb2 O9 C14 O10 -173.3(5) 2_656 . . . ?
Tb2 O9 C14 C14 5.5(8) 2_656 . . 2_656 ?
Tb2 O10 C14 O9 -174.0(5) . . . . ?
Tb2 O10 C14 C14 7.2(8) . . . 2_656 ?
Tb2 O12 C15 O14 -176.6(4) . . . . ?
Tb2 O12 C15 C16 3.7(7) . . . . ?
Tb1 O14 C15 O12 -163.3(4) . . . . ?
Tb1 O14 C15 C16 16.4(6) . . . . ?
Tb1 O13 C16 O11 168.5(5) . . . . ?
Tb1 O13 C16 C15 -12.7(6) . . . . ?
Tb2 O11 C16 O13 -179.1(5) . . . . ?
Tb2 O11 C16 C15 2.1(6) . . . . ?
O12 C15 C16 O13 177.3(5) . . . . ?
O14 C15 C16 O13 -2.4(8) . . . . ?
O12 C15 C16 O11 -3.8(8) . . . . ?
O14 C15 C16 O11 176.5(5) . . . . ?
Tb2 O1 N1 C1 -94.8(5) 2_755 . . . ?
Tb2 O1 N1 C5 83.0(5) 2_755 . . . ?
C2 C1 N1 O1 174.8(5) . . . . ?
C2 C1 N1 C5 -2.9(9) . . . . ?
C4 C5 N1 O1 -170.4(5) . . . . ?
C11 C5 N1 O1 15.2(7) . . . . ?
C4 C5 N1 C1 7.3(8) . . . . ?
C11 C5 N1 C1 -167.0(5) . . . . ?
Tb2 O2 N2 C7 -102.0(5) 2_755 . . . ?
Tb2 O2 N2 C11 81.5(6) 2_755 . . . ?
C8 C7 N2 O2 -175.2(5) . . . . ?
C8 C7 N2 C11 1.2(8) . . . . ?
C10 C11 N2 O2 176.9(5) . . . . ?
C5 C11 N2 O2 0.2(7) . . . . ?
C10 C11 N2 C7 0.5(8) . . . . ?
C5 C11 N2 C7 -176.2(5) . . . . ?

_diffrn_measured_fraction_theta_max 0.998
_diffrn_reflns_theta_full        26.00
_diffrn_measured_fraction_theta_full 0.998
_refine_diff_density_max         1.243
_refine_diff_density_min         -1.386
_refine_diff_density_rms         0.210
####################################################################### 
# 
# 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_677
_database_code_depnum_ccdc_archive 'CCDC 1041082'
_audit_update_record             
;
2015-03-30 deposited with the CCDC.
2015-04-20 downloaded from the CCDC.
;

_audit_creation_method           SHELXL-97
_chemical_name_systematic        
; 
 ? 
;
_chemical_name_common            ?
_chemical_melting_point          ?
_chemical_formula_moiety         ?
_chemical_formula_sum            'C16 H20 Eu2 N2 O21'
_chemical_formula_weight         880.26

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'
Eu Eu -0.1578 3.6682 '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'

_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                   7.7297(4)
_cell_length_b                   10.2725(5)
_cell_length_c                   16.0234(9)
_cell_angle_alpha                86.817(4)
_cell_angle_beta                 85.974(5)
_cell_angle_gamma                77.107(4)
_cell_volume                     1236.13(11)
_cell_formula_units_Z            2
_cell_measurement_temperature    100(2)
_cell_measurement_reflns_used    2777
_cell_measurement_theta_min      2.9183?
_cell_measurement_theta_max      29.2451

_exptl_crystal_description       block
_exptl_crystal_colour            ?
_exptl_crystal_size_max          0.08
_exptl_crystal_size_mid          0.04
_exptl_crystal_size_min          0.01
_exptl_crystal_density_meas      ?
_exptl_crystal_density_diffrn    2.365
_exptl_crystal_density_method    'not measured'
_exptl_crystal_F_000             848
_exptl_absorpt_coefficient_mu    5.132
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_correction_T_min  0.6843
_exptl_absorpt_correction_T_max  0.9505
_exptl_absorpt_process_details   ?

_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  'Xcalibur, Eos, Gemini'
_diffrn_measurement_method       'ω scans'
_diffrn_detector_area_resol_mean 16.0971
_diffrn_standards_number         ?
_diffrn_standards_interval_count ?
_diffrn_standards_interval_time  ?
_diffrn_standards_decay_%        ?
_diffrn_reflns_number            9255
_diffrn_reflns_av_R_equivalents  0.0544
_diffrn_reflns_av_sigmaI/netI    0.0936
_diffrn_reflns_limit_h_min       -9
_diffrn_reflns_limit_h_max       8
_diffrn_reflns_limit_k_min       -12
_diffrn_reflns_limit_k_max       12
_diffrn_reflns_limit_l_min       -19
_diffrn_reflns_limit_l_max       13
_diffrn_reflns_theta_min         2.92
_diffrn_reflns_theta_max         26.00
_reflns_number_total             4856
_reflns_number_gt                3704
_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 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. 
Restraints employed:
DFIX 0.85 0.01 O16w H16a O16w H16b
DFIX 0.85 0.01 O19w H19a O19w H19b
DFIX 0.85 0.01 O15w H15a O15w H15b
DFIX 0.85 0.01 O20w H20a O20w H20b
DFIX 0.85 0.01 O21w H21a O21w H21b
DFIX 0.85 0.01 O17w H17a O17w H17b
DFIX 0.85 0.01 O18w H18a O18w H18b
SADI 0.02 Eu1 H16a Eu1 H16b
SADI 0.02 Eu1 H15a Eu1 H15b
SADI 0.02 Eu2 H17a Eu2 H17b
DANG 1.387 0.02 H16b H16a
DANG 1.387 0.02 H19b H19a
DANG 1.387 0.02 H15b H15a
DANG 1.387 0.02 H20b H20a
DANG 1.387 0.02 H21b H21a
DANG 1.387 0.02 H17b H17a
DANG 1.387 0.02 H18b H18a
SIMU 0.002 0.004 1.7 C5 C4 C3 C11 C6
SIMU 0.004 0.008 1.7 C13 O8 O7
;

_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)+(0.0000P)²+0.0000P] 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     none
_refine_ls_extinction_coef       ?
_refine_ls_number_reflns         4856
_refine_ls_number_parameters     412
_refine_ls_number_restraints     60
_refine_ls_R_factor_all          0.0684
_refine_ls_R_factor_gt           0.0454
_refine_ls_wR_factor_ref         0.0734
_refine_ls_wR_factor_gt          0.0655
_refine_ls_goodness_of_fit_ref   1.008
_refine_ls_restrained_S_all      1.002
_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 0.35439(5) 0.33627(4) 0.06325(2) 0.00706(11) Uani 1 1 d D . .
Eu2 Eu 0.61510(5) -0.13162(4) 0.32466(2) 0.00691(11) Uani 1 1 d D . .
O1 O 1.2064(6) 0.2973(5) -0.2226(3) 0.0082(11) Uani 1 1 d . . .
O2 O 1.0997(6) 0.0727(5) -0.2952(3) 0.0101(12) Uani 1 1 d . . .
O3 O 0.4905(7) 0.3560(5) -0.3481(3) 0.0124(12) Uani 1 1 d . . .
O4 O 0.6401(7) 0.1881(5) -0.2712(3) 0.0143(13) Uani 1 1 d . . .
O5 O 0.7595(7) 0.4435(5) -0.1180(3) 0.0112(12) Uani 1 1 d . . .
O6 O 0.5919(7) 0.3381(5) -0.0323(3) 0.0111(12) Uani 1 1 d . . .
O7 O -0.2141(6) 0.5157(5) 0.0485(3) 0.0096(11) Uani 1 1 d U . .
O8 O 0.0379(6) 0.3685(5) 0.0762(3) 0.0110(11) Uani 1 1 d U . .
O9 O 0.3378(6) -0.0295(5) 0.5759(3) 0.0101(12) Uani 1 1 d . . .
O10 O 0.4068(7) -0.1105(5) 0.4473(3) 0.0104(12) Uani 1 1 d . . .
O11 O 0.3973(7) 0.0883(5) 0.2995(3) 0.0120(12) Uani 1 1 d . . .
O12 O 0.6179(7) -0.0445(5) 0.1813(3) 0.0118(12) Uani 1 1 d . . .
O13 O 0.2908(7) 0.2475(5) 0.2030(3) 0.0121(12) Uani 1 1 d . . .
O14 O 0.5002(7) 0.1067(5) 0.0832(3) 0.0101(12) Uani 1 1 d . . .
O15W O 0.5957(7) 0.3625(5) 0.1452(3) 0.0145(13) Uani 1 1 d D . .
H15A H 0.611(7) 0.335(7) 0.1955(18) 0.022 Uiso 1 1 d D . .
H15B H 0.669(7) 0.411(6) 0.130(2) 0.022 Uiso 1 1 d D . .
O16W O 0.2739(8) 0.2104(5) -0.0481(3) 0.0146(13) Uani 1 1 d D . .
H16A H 0.341(6) 0.135(3) -0.061(3) 0.022 Uiso 1 1 d D . .
H16B H 0.240(9) 0.251(3) -0.0943(17) 0.022 Uiso 1 1 d D . .
O17W O 0.8047(7) -0.2672(5) 0.4234(3) 0.0120(12) Uani 1 1 d D . .
H17A H 0.784(5) -0.337(4) 0.450(4) 0.018 Uiso 1 1 d D . .
H17B H 0.908(4) -0.259(5) 0.434(4) 0.018 Uiso 1 1 d D . .
O18W O 0.6945(8) 0.2704(6) 0.3079(4) 0.0243(15) Uani 1 1 d D . .
H18A H 0.632(7) 0.224(6) 0.337(4) 0.036 Uiso 1 1 d D . .
H18B H 0.804(3) 0.235(7) 0.314(5) 0.036 Uiso 1 1 d D . .
O19W O 0.2955(9) 0.4963(5) -0.4750(4) 0.0222(15) Uani 1 1 d D . .
H19A H 0.372(8) 0.493(6) -0.439(4) 0.033 Uiso 1 1 d D . .
H19B H 0.230(8) 0.575(3) -0.476(5) 0.033 Uiso 1 1 d D . .
O20W O 0.9641(7) -0.1185(5) -0.3680(4) 0.0182(14) Uani 1 1 d D . .
H20A H 0.870(6) -0.129(7) -0.341(4) 0.027 Uiso 1 1 d D . .
H20B H 0.985(9) -0.043(4) -0.359(5) 0.027 Uiso 1 1 d D . .
O21W O 0.8846(7) 0.2343(5) -0.4867(4) 0.0161(13) Uani 1 1 d D . .
H21A H 0.939(8) 0.193(7) -0.529(3) 0.024 Uiso 1 1 d D . .
H21B H 0.789(6) 0.206(7) -0.477(4) 0.024 Uiso 1 1 d D . .
C1 C 1.0606(10) 0.4879(7) -0.2949(5) 0.0118(18) Uani 1 1 d . . .
H1 H 1.1632 0.5245 -0.2953 0.014 Uiso 1 1 calc R . .
C2 C 0.9124(10) 0.5573(7) -0.3346(5) 0.0138(18) Uani 1 1 d . . .
H2 H 0.9105 0.6440 -0.3591 0.017 Uiso 1 1 calc R . .
C3 C 0.7667(10) 0.5006(7) -0.3385(5) 0.0084(12) Uani 1 1 d U . .
H3 H 0.6678 0.5454 -0.3688 0.010 Uiso 1 1 calc R . .
C4 C 0.7664(10) 0.3779(7) -0.2978(5) 0.0082(10) Uani 1 1 d U . .
C5 C 0.9117(10) 0.3150(7) -0.2533(5) 0.0075(10) Uani 1 1 d U . .
C6 C 0.6196(10) 0.3051(7) -0.3062(5) 0.0094(12) Uani 1 1 d U . .
C7 C 1.0182(10) -0.0336(7) -0.1715(5) 0.0118(18) Uani 1 1 d . . .
H7 H 1.0885 -0.1162 -0.1900 0.014 Uiso 1 1 calc R . .
C8 C 0.9212(9) -0.0305(7) -0.0958(5) 0.0114(18) Uani 1 1 d . . .
H8 H 0.9233 -0.1103 -0.0627 0.014 Uiso 1 1 calc R . .
C9 C 0.8210(9) 0.0897(7) -0.0689(5) 0.0077(17) Uani 1 1 d . . .
H9 H 0.7531 0.0927 -0.0170 0.009 Uiso 1 1 calc R . .
C10 C 0.8188(10) 0.2063(7) -0.1170(5) 0.0066(16) Uani 1 1 d . . .
C11 C 0.9177(10) 0.1985(7) -0.1935(5) 0.0072(12) Uani 1 1 d U . .
C12 C 0.7149(10) 0.3388(7) -0.0878(5) 0.0089(17) Uani 1 1 d . . .
C13 C -0.0510(10) 0.4670(7) 0.0358(5) 0.0082(13) Uani 1 1 d U . .
C14 C 0.4254(10) -0.0417(7) 0.5080(5) 0.0114(17) Uani 1 1 d . . .
C15 C 0.5126(10) 0.0613(7) 0.1579(5) 0.0082(17) Uani 1 1 d . . .
C16 C 0.3895(10) 0.1386(7) 0.2254(5) 0.0099(17) Uani 1 1 d . . .
N1 N 1.0599(8) 0.3689(6) -0.2560(4) 0.0093(14) Uani 1 1 d . . .
N2 N 1.0149(8) 0.0788(6) -0.2195(4) 0.0074(14) Uani 1 1 d . . .


_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 O6 2.309(5) . ?
Eu1 O8 2.390(5) . ?
Eu1 O14 2.391(5) . ?
Eu1 O15W 2.426(5) . ?
Eu1 O5 2.426(5) 2_665 ?
Eu1 O13 2.430(5) . ?
Eu1 O7 2.436(5) 2_565 ?
Eu1 O16W 2.453(5) . ?
Eu1 C15 3.165(8) . ?
Eu1 C13 3.172(8) . ?
Eu1 C13 3.187(8) 2_565 ?
Eu1 C16 3.196(8) . ?
Eu2 O17W 2.400(5) . ?
Eu2 O4 2.401(4) 2_655 ?
Eu2 O12 2.419(5) . ?
Eu2 O2 2.422(4) 2_755 ?
Eu2 O10 2.438(5) . ?
Eu2 O9 2.461(4) 2_656 ?
Eu2 O11 2.530(5) . ?
Eu2 O1 2.533(5) 2_755 ?
Eu2 O3 2.611(4) 2_655 ?
Eu2 C6 2.851(7) 2_655 ?
Eu2 C14 3.259(8) 2_656 ?
O1 N1 1.334(7) . ?
O1 Eu2 2.533(5) 2_755 ?
O2 N2 1.335(7) . ?
O2 Eu2 2.422(4) 2_755 ?
O3 C6 1.242(9) . ?
O3 Eu2 2.611(4) 2_655 ?
O4 C6 1.279(8) . ?
O4 Eu2 2.401(4) 2_655 ?
O5 C12 1.262(8) . ?
O5 Eu1 2.426(5) 2_665 ?
O6 C12 1.256(8) . ?
O7 C13 1.255(8) . ?
O7 Eu1 2.436(5) 2_565 ?
O8 C13 1.262(9) . ?
O9 C14 1.237(9) . ?
O9 Eu2 2.461(4) 2_656 ?
O10 C14 1.268(8) . ?
O11 C16 1.267(9) . ?
O12 C15 1.260(9) . ?
O13 C16 1.255(9) . ?
O14 C15 1.263(9) . ?
O15W H15A 0.848(10) . ?
O15W H15B 0.847(10) . ?
O16W H16A 0.853(10) . ?
O16W H16B 0.855(10) . ?
O17W H17A 0.849(10) . ?
O17W H17B 0.849(10) . ?
O18W H18A 0.851(10) . ?
O18W H18B 0.849(10) . ?
O19W H19A 0.850(10) . ?
O19W H19B 0.853(10) . ?
O20W H20A 0.845(10) . ?
O20W H20B 0.849(10) . ?
O21W H21A 0.853(10) . ?
O21W H21B 0.852(10) . ?
C1 N1 1.342(9) . ?
C1 C2 1.382(10) . ?
C1 H1 0.9500 . ?
C2 C3 1.386(9) . ?
C2 H2 0.9500 . ?
C3 C4 1.387(10) . ?
C3 H3 0.9500 . ?
C4 C5 1.388(10) . ?
C4 C6 1.509(9) . ?
C5 N1 1.376(8) . ?
C5 C11 1.484(10) . ?
C6 Eu2 2.851(7) 2_655 ?
C7 N2 1.348(9) . ?
C7 C8 1.378(10) . ?
C7 H7 0.9500 . ?
C8 C9 1.377(10) . ?
C8 H8 0.9500 . ?
C9 C10 1.385(9) . ?
C9 H9 0.9500 . ?
C10 C11 1.396(10) . ?
C10 C12 1.499(10) . ?
C11 N2 1.361(9) . ?
C13 C13 1.557(14) 2_565 ?
C13 Eu1 3.187(8) 2_565 ?
C14 C14 1.583(13) 2_656 ?
C14 Eu2 3.259(8) 2_656 ?
C15 C16 1.524(10) . ?

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
O6 Eu1 O8 143.13(18) . . ?
O6 Eu1 O14 82.75(18) . . ?
O8 Eu1 O14 112.23(16) . . ?
O6 Eu1 O15W 74.65(17) . . ?
O8 Eu1 O15W 139.09(18) . . ?
O14 Eu1 O15W 80.56(17) . . ?
O6 Eu1 O5 110.68(17) . 2_665 ?
O8 Eu1 O5 73.32(16) . 2_665 ?
O14 Eu1 O5 150.36(17) . 2_665 ?
O15W Eu1 O5 78.04(18) . 2_665 ?
O6 Eu1 O13 140.06(18) . . ?
O8 Eu1 O13 75.38(17) . . ?
O14 Eu1 O13 67.78(17) . . ?
O15W Eu1 O13 74.42(16) . . ?
O5 Eu1 O13 86.77(17) 2_665 . ?
O6 Eu1 O7 78.18(17) . 2_565 ?
O8 Eu1 O7 68.31(16) . 2_565 ?
O14 Eu1 O7 138.08(16) . 2_565 ?
O15W Eu1 O7 128.14(15) . 2_565 ?
O5 Eu1 O7 71.53(16) 2_665 2_565 ?
O13 Eu1 O7 141.61(17) . 2_565 ?
O6 Eu1 O16W 80.04(17) . . ?
O8 Eu1 O16W 73.83(18) . . ?
O14 Eu1 O16W 71.74(17) . . ?
O15W Eu1 O16W 144.4(2) . . ?
O5 Eu1 O16W 135.15(17) 2_665 . ?
O13 Eu1 O16W 113.20(16) . . ?
O7 Eu1 O16W 68.41(16) 2_565 . ?
O6 Eu1 C15 97.67(19) . . ?
O8 Eu1 C15 107.13(18) . . ?
O14 Eu1 C15 20.89(18) . . ?
O15W Eu1 C15 70.70(17) . . ?
O5 Eu1 C15 129.95(18) 2_665 . ?
O13 Eu1 C15 48.03(19) . . ?
O7 Eu1 C15 157.09(17) 2_565 . ?
O16W Eu1 C15 88.70(18) . . ?
O6 Eu1 C13 126.45(18) . . ?
O8 Eu1 C13 20.72(17) . . ?
O14 Eu1 C13 130.00(16) . . ?
O15W Eu1 C13 140.58(18) . . ?
O5 Eu1 C13 63.70(16) 2_665 . ?
O13 Eu1 C13 93.46(18) . . ?
O7 Eu1 C13 48.73(17) 2_565 . ?
O16W Eu1 C13 74.92(18) . . ?
C15 Eu1 C13 127.69(18) . . ?
O6 Eu1 C13 98.95(18) . 2_565 ?
O8 Eu1 C13 48.64(17) . 2_565 ?
O14 Eu1 C13 143.30(16) . 2_565 ?
O15W Eu1 C13 135.52(17) . 2_565 ?
O5 Eu1 C13 62.94(17) 2_665 2_565 ?
O13 Eu1 C13 120.85(18) . 2_565 ?
O7 Eu1 C13 20.78(17) 2_565 2_565 ?
O16W Eu1 C13 72.49(18) . 2_565 ?
C15 Eu1 C13 152.19(16) . 2_565 ?
C13 Eu1 C13 28.4(2) . 2_565 ?
O6 Eu1 C16 121.60(19) . . ?
O8 Eu1 C16 90.65(18) . . ?
O14 Eu1 C16 48.08(18) . . ?
O15W Eu1 C16 68.82(17) . . ?
O5 Eu1 C16 104.44(18) 2_665 . ?
O13 Eu1 C16 20.55(19) . . ?
O7 Eu1 C16 158.93(17) 2_565 . ?
O16W Eu1 C16 105.62(17) . . ?
C15 Eu1 C16 27.71(18) . . ?
C13 Eu1 C16 110.52(19) . . ?
C13 Eu1 C16 138.84(18) 2_565 . ?
O17W Eu2 O4 125.02(16) . 2_655 ?
O17W Eu2 O12 141.44(18) . . ?
O4 Eu2 O12 76.48(17) 2_655 . ?
O17W Eu2 O2 75.67(17) . 2_755 ?
O4 Eu2 O2 147.90(18) 2_655 2_755 ?
O12 Eu2 O2 73.52(17) . 2_755 ?
O17W Eu2 O10 81.08(18) . . ?
O4 Eu2 O10 77.87(17) 2_655 . ?
O12 Eu2 O10 137.40(18) . . ?
O2 Eu2 O10 133.15(15) 2_755 . ?
O17W Eu2 O9 76.27(17) . 2_656 ?
O4 Eu2 O9 135.20(17) 2_655 2_656 ?
O12 Eu2 O9 112.50(16) . 2_656 ?
O2 Eu2 O9 68.77(16) 2_755 2_656 ?
O10 Eu2 O9 66.46(15) . 2_656 ?
O17W Eu2 O11 145.29(17) . . ?
O4 Eu2 O11 74.31(16) 2_655 . ?
O12 Eu2 O11 65.37(17) . . ?
O2 Eu2 O11 102.72(16) 2_755 . ?
O10 Eu2 O11 75.27(17) . . ?
O9 Eu2 O11 71.16(16) 2_656 . ?
O17W Eu2 O1 82.58(18) . 2_755 ?
O4 Eu2 O1 85.15(17) 2_655 2_755 ?
O12 Eu2 O1 66.54(16) . 2_755 ?
O2 Eu2 O1 72.70(15) 2_755 2_755 ?
O10 Eu2 O1 143.31(15) . 2_755 ?
O9 Eu2 O1 139.46(16) 2_656 2_755 ?
O11 Eu2 O1 130.80(16) . 2_755 ?
O17W Eu2 O3 73.07(15) . 2_655 ?
O4 Eu2 O3 52.23(16) 2_655 2_655 ?
O12 Eu2 O3 115.02(15) . 2_655 ?
O2 Eu2 O3 134.80(17) 2_755 2_655 ?
O10 Eu2 O3 72.29(15) . 2_655 ?
O9 Eu2 O3 131.46(16) 2_656 2_655 ?
O11 Eu2 O3 121.51(16) . 2_655 ?
O1 Eu2 O3 71.59(15) 2_755 2_655 ?
O17W Eu2 C6 98.65(19) . 2_655 ?
O4 Eu2 C6 26.45(19) 2_655 2_655 ?
O12 Eu2 C6 96.83(19) . 2_655 ?
O2 Eu2 C6 150.44(19) 2_755 2_655 ?
O10 Eu2 C6 72.51(18) . 2_655 ?
O9 Eu2 C6 138.96(19) 2_656 2_655 ?
O11 Eu2 C6 98.03(19) . 2_655 ?
O1 Eu2 C6 77.82(18) 2_755 2_655 ?
O3 Eu2 C6 25.80(18) 2_655 2_655 ?
O17W Eu2 C14 73.89(19) . 2_656 ?
O4 Eu2 C14 120.58(18) 2_655 2_656 ?
O12 Eu2 C14 126.28(17) . 2_656 ?
O2 Eu2 C14 86.93(17) 2_755 2_656 ?
O10 Eu2 C14 47.36(16) . 2_656 ?
O9 Eu2 C14 19.21(16) 2_656 2_656 ?
O11 Eu2 C14 71.40(18) . 2_656 ?
O1 Eu2 C14 152.12(17) 2_755 2_656 ?
O3 Eu2 C14 114.10(17) 2_655 2_656 ?
C6 Eu2 C14 119.85(19) 2_655 2_656 ?
N1 O1 Eu2 111.2(4) . 2_755 ?
N2 O2 Eu2 123.6(4) . 2_755 ?
C6 O3 Eu2 88.0(4) . 2_655 ?
C6 O4 Eu2 96.8(4) . 2_655 ?
C12 O5 Eu1 123.9(5) . 2_665 ?
C12 O6 Eu1 176.5(5) . . ?
C13 O7 Eu1 115.7(5) . 2_565 ?
C13 O8 Eu1 117.2(4) . . ?
C14 O9 Eu2 119.9(4) . 2_656 ?
C14 O10 Eu2 120.8(4) . . ?
C16 O11 Eu2 118.0(5) . . ?
C15 O12 Eu2 122.4(5) . . ?
C16 O13 Eu1 116.7(5) . . ?
C15 O14 Eu1 116.6(5) . . ?
Eu1 O15W H15A 125.6(18) . . ?
Eu1 O15W H15B 124.5(18) . . ?
H15A O15W H15B 109(3) . . ?
Eu1 O16W H16A 119(3) . . ?
Eu1 O16W H16B 120(3) . . ?
H16A O16W H16B 107(3) . . ?
Eu2 O17W H17A 125.1(18) . . ?
Eu2 O17W H17B 126.0(18) . . ?
H17A O17W H17B 109(3) . . ?
H18A O18W H18B 109(3) . . ?
H19A O19W H19B 108(3) . . ?
H20A O20W H20B 111(3) . . ?
H21A O21W H21B 106(2) . . ?
N1 C1 C2 120.1(7) . . ?
N1 C1 H1 119.9 . . ?
C2 C1 H1 119.9 . . ?
C1 C2 C3 120.0(7) . . ?
C1 C2 H2 120.0 . . ?
C3 C2 H2 120.0 . . ?
C2 C3 C4 119.4(7) . . ?
C2 C3 H3 120.3 . . ?
C4 C3 H3 120.3 . . ?
C3 C4 C5 119.3(6) . . ?
C3 C4 C6 122.0(7) . . ?
C5 C4 C6 118.6(6) . . ?
N1 C5 C4 119.7(6) . . ?
N1 C5 C11 114.4(6) . . ?
C4 C5 C11 125.6(6) . . ?
O3 C6 O4 122.9(6) . . ?
O3 C6 C4 120.5(7) . . ?
O4 C6 C4 116.5(7) . . ?
O3 C6 Eu2 66.2(4) . 2_655 ?
O4 C6 Eu2 56.7(3) . 2_655 ?
C4 C6 Eu2 171.2(5) . 2_655 ?
N2 C7 C8 120.9(7) . . ?
N2 C7 H7 119.5 . . ?
C8 C7 H7 119.5 . . ?
C9 C8 C7 119.3(7) . . ?
C9 C8 H8 120.4 . . ?
C7 C8 H8 120.4 . . ?
C8 C9 C10 120.4(7) . . ?
C8 C9 H9 119.8 . . ?
C10 C9 H9 119.8 . . ?
C9 C10 C11 118.5(7) . . ?
C9 C10 C12 121.3(7) . . ?
C11 C10 C12 120.2(6) . . ?
N2 C11 C10 120.3(7) . . ?
N2 C11 C5 116.7(6) . . ?
C10 C11 C5 122.8(7) . . ?
O6 C12 O5 124.1(7) . . ?
O6 C12 C10 117.4(6) . . ?
O5 C12 C10 118.5(7) . . ?
O7 C13 O8 125.5(7) . . ?
O7 C13 C13 117.5(8) . 2_565 ?
O8 C13 C13 117.0(8) . 2_565 ?
O7 C13 Eu1 162.8(5) . . ?
O8 C13 Eu1 42.1(3) . . ?
C13 C13 Eu1 76.3(5) 2_565 . ?
O7 C13 Eu1 43.5(4) . 2_565 ?
O8 C13 Eu1 163.9(5) . 2_565 ?
C13 C13 Eu1 75.3(5) 2_565 2_565 ?
Eu1 C13 Eu1 151.6(2) . 2_565 ?
O9 C14 O10 127.8(6) . . ?
O9 C14 C14 117.3(8) . 2_656 ?
O10 C14 C14 114.9(9) . 2_656 ?
O9 C14 Eu2 40.9(3) . 2_656 ?
O10 C14 Eu2 167.6(5) . 2_656 ?
C14 C14 Eu2 76.5(6) 2_656 2_656 ?
O12 C15 O14 125.1(8) . . ?
O12 C15 C16 116.9(7) . . ?
O14 C15 C16 118.0(7) . . ?
O12 C15 Eu1 162.0(5) . . ?
O14 C15 Eu1 42.5(4) . . ?
C16 C15 Eu1 77.3(4) . . ?
O13 C16 O11 125.7(8) . . ?
O13 C16 C15 117.0(7) . . ?
O11 C16 C15 117.2(7) . . ?
O13 C16 Eu1 42.8(4) . . ?
O11 C16 Eu1 165.1(5) . . ?
C15 C16 Eu1 75.0(4) . . ?
O1 N1 C1 120.4(6) . . ?
O1 N1 C5 118.5(6) . . ?
C1 N1 C5 121.0(7) . . ?
O2 N2 C7 120.2(6) . . ?
O2 N2 C11 119.1(6) . . ?
C7 N2 C11 120.6(6) . . ?

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
O8 Eu1 O6 C12 -15(9) . . . . ?
O14 Eu1 O6 C12 103(9) . . . . ?
O15W Eu1 O6 C12 -175(9) . . . . ?
O5 Eu1 O6 C12 -105(8) 2_665 . . . ?
O13 Eu1 O6 C12 144(8) . . . . ?
O7 Eu1 O6 C12 -40(8) 2_565 . . . ?
O16W Eu1 O6 C12 30(8) . . . . ?
C15 Eu1 O6 C12 117(9) . . . . ?
C13 Eu1 O6 C12 -33(9) . . . . ?
C13 Eu1 O6 C12 -40(9) 2_565 . . . ?
C16 Eu1 O6 C12 132(8) . . . . ?
O6 Eu1 O8 C13 -43.4(6) . . . . ?
O14 Eu1 O8 C13 -151.9(5) . . . . ?
O15W Eu1 O8 C13 106.5(5) . . . . ?
O5 Eu1 O8 C13 59.0(5) 2_665 . . . ?
O13 Eu1 O8 C13 150.0(5) . . . . ?
O7 Eu1 O8 C13 -17.3(5) 2_565 . . . ?
O16W Eu1 O8 C13 -90.0(5) . . . . ?
C15 Eu1 O8 C13 -173.5(5) . . . . ?
C13 Eu1 O8 C13 -9.4(6) 2_565 . . . ?
C16 Eu1 O8 C13 163.9(5) . . . . ?
O17W Eu2 O10 C14 71.7(6) . . . . ?
O4 Eu2 O10 C14 -159.5(6) 2_655 . . . ?
O12 Eu2 O10 C14 -105.4(6) . . . . ?
O2 Eu2 O10 C14 11.0(6) 2_755 . . . ?
O9 Eu2 O10 C14 -7.2(5) 2_656 . . . ?
O11 Eu2 O10 C14 -82.7(5) . . . . ?
O1 Eu2 O10 C14 136.2(5) 2_755 . . . ?
O3 Eu2 O10 C14 146.6(6) 2_655 . . . ?
C6 Eu2 O10 C14 173.7(6) 2_655 . . . ?
C14 Eu2 O10 C14 -4.6(6) 2_656 . . . ?
O17W Eu2 O11 C16 149.3(4) . . . . ?
O4 Eu2 O11 C16 -80.9(5) 2_655 . . . ?
O12 Eu2 O11 C16 1.2(4) . . . . ?
O2 Eu2 O11 C16 66.1(5) 2_755 . . . ?
O10 Eu2 O11 C16 -162.1(5) . . . . ?
O9 Eu2 O11 C16 128.2(5) 2_656 . . . ?
O1 Eu2 O11 C16 -11.9(5) 2_755 . . . ?
O3 Eu2 O11 C16 -104.2(5) 2_655 . . . ?
C6 Eu2 O11 C16 -92.7(5) 2_655 . . . ?
C14 Eu2 O11 C16 148.4(5) 2_656 . . . ?
O17W Eu2 O12 C15 -154.0(5) . . . . ?
O4 Eu2 O12 C15 75.9(5) 2_655 . . . ?
O2 Eu2 O12 C15 -115.7(5) 2_755 . . . ?
O10 Eu2 O12 C15 21.4(6) . . . . ?
O9 Eu2 O12 C15 -57.8(5) 2_656 . . . ?
O11 Eu2 O12 C15 -2.9(5) . . . . ?
O1 Eu2 O12 C15 166.4(5) 2_755 . . . ?
O3 Eu2 O12 C15 112.0(5) 2_655 . . . ?
C6 Eu2 O12 C15 92.9(5) 2_655 . . . ?
C14 Eu2 O12 C15 -42.3(6) 2_656 . . . ?
O6 Eu1 O13 C16 -30.6(6) . . . . ?
O8 Eu1 O13 C16 136.9(5) . . . . ?
O14 Eu1 O13 C16 14.9(5) . . . . ?
O15W Eu1 O13 C16 -71.1(5) . . . . ?
O5 Eu1 O13 C16 -149.5(5) 2_665 . . . ?
O7 Eu1 O13 C16 156.1(4) 2_565 . . . ?
O16W Eu1 O13 C16 72.0(5) . . . . ?
C15 Eu1 O13 C16 6.8(4) . . . . ?
C13 Eu1 O13 C16 147.1(5) . . . . ?
C13 Eu1 O13 C16 154.8(4) 2_565 . . . ?
O6 Eu1 O14 C15 135.3(5) . . . . ?
O8 Eu1 O14 C15 -79.7(5) . . . . ?
O15W Eu1 O14 C15 59.7(5) . . . . ?
O5 Eu1 O14 C15 15.5(7) 2_665 . . . ?
O13 Eu1 O14 C15 -17.2(5) . . . . ?
O7 Eu1 O14 C15 -161.5(4) 2_565 . . . ?
O16W Eu1 O14 C15 -142.9(5) . . . . ?
C13 Eu1 O14 C15 -92.3(5) . . . . ?
C13 Eu1 O14 C15 -129.5(5) 2_565 . . . ?
C16 Eu1 O14 C15 -10.2(5) . . . . ?
N1 C1 C2 C3 -3.9(12) . . . . ?
C1 C2 C3 C4 4.2(11) . . . . ?
C2 C3 C4 C5 0.6(11) . . . . ?
C2 C3 C4 C6 -174.3(6) . . . . ?
C3 C4 C5 N1 -5.6(11) . . . . ?
C6 C4 C5 N1 169.5(6) . . . . ?
C3 C4 C5 C11 167.4(7) . . . . ?
C6 C4 C5 C11 -17.5(11) . . . . ?
Eu2 O3 C6 O4 -3.3(7) 2_655 . . . ?
Eu2 O3 C6 C4 173.7(6) 2_655 . . . ?
Eu2 O4 C6 O3 3.6(8) 2_655 . . . ?
Eu2 O4 C6 C4 -173.5(5) 2_655 . . . ?
C3 C4 C6 O3 -2.4(11) . . . . ?
C5 C4 C6 O3 -177.4(7) . . . . ?
C3 C4 C6 O4 174.7(7) . . . . ?
C5 C4 C6 O4 -0.2(10) . . . . ?
C3 C4 C6 Eu2 136(3) . . . 2_655 ?
C5 C4 C6 Eu2 -39(4) . . . 2_655 ?
N2 C7 C8 C9 -0.7(10) . . . . ?
C7 C8 C9 C10 -0.4(10) . . . . ?
C8 C9 C10 C11 1.0(10) . . . . ?
C8 C9 C10 C12 -178.3(6) . . . . ?
C9 C10 C11 N2 -0.6(10) . . . . ?
C12 C10 C11 N2 178.8(6) . . . . ?
C9 C10 C11 C5 174.3(6) . . . . ?
C12 C10 C11 C5 -6.4(10) . . . . ?
N1 C5 C11 N2 -79.6(8) . . . . ?
C4 C5 C11 N2 107.1(8) . . . . ?
N1 C5 C11 C10 105.4(8) . . . . ?
C4 C5 C11 C10 -67.9(10) . . . . ?
Eu1 O6 C12 O5 96(8) . . . . ?
Eu1 O6 C12 C10 -87(9) . . . . ?
Eu1 O5 C12 O6 8.5(10) 2_665 . . . ?
Eu1 O5 C12 C10 -168.9(4) 2_665 . . . ?
C9 C10 C12 O6 -20.1(10) . . . . ?
C11 C10 C12 O6 160.6(7) . . . . ?
C9 C10 C12 O5 157.5(7) . . . . ?
C11 C10 C12 O5 -21.8(10) . . . . ?
Eu1 O7 C13 O8 -164.3(5) 2_565 . . . ?
Eu1 O7 C13 C13 15.6(9) 2_565 . . 2_565 ?
Eu1 O7 C13 Eu1 156.7(14) 2_565 . . . ?
Eu1 O8 C13 O7 -163.8(5) . . . . ?
Eu1 O8 C13 C13 16.3(9) . . . 2_565 ?
Eu1 O8 C13 Eu1 153.9(16) . . . 2_565 ?
O6 Eu1 C13 O7 -161.0(15) . . . . ?
O8 Eu1 C13 O7 49.8(15) . . . . ?
O14 Eu1 C13 O7 84.5(16) . . . . ?
O15W Eu1 C13 O7 -48.7(17) . . . . ?
O5 Eu1 C13 O7 -63.8(16) 2_665 . . . ?
O13 Eu1 C13 O7 20.8(16) . . . . ?
O7 Eu1 C13 O7 -151.7(16) 2_565 . . . ?
O16W Eu1 C13 O7 133.9(16) . . . . ?
C15 Eu1 C13 O7 57.7(17) . . . . ?
C13 Eu1 C13 O7 -145(2) 2_565 . . . ?
C16 Eu1 C13 O7 32.6(16) . . . . ?
O6 Eu1 C13 O8 149.2(5) . . . . ?
O14 Eu1 C13 O8 34.6(6) . . . . ?
O15W Eu1 C13 O8 -98.5(5) . . . . ?
O5 Eu1 C13 O8 -113.7(5) 2_665 . . . ?
O13 Eu1 C13 O8 -29.0(5) . . . . ?
O7 Eu1 C13 O8 158.4(6) 2_565 . . . ?
O16W Eu1 C13 O8 84.1(5) . . . . ?
C15 Eu1 C13 O8 7.9(6) . . . . ?
C13 Eu1 C13 O8 165.1(9) 2_565 . . . ?
C16 Eu1 C13 O8 -17.2(5) . . . . ?
O6 Eu1 C13 C13 -15.9(6) . . . 2_565 ?
O8 Eu1 C13 C13 -165.1(9) . . . 2_565 ?
O14 Eu1 C13 C13 -130.5(4) . . . 2_565 ?
O15W Eu1 C13 C13 96.4(5) . . . 2_565 ?
O5 Eu1 C13 C13 81.2(5) 2_665 . . 2_565 ?
O13 Eu1 C13 C13 165.9(5) . . . 2_565 ?
O7 Eu1 C13 C13 -6.7(4) 2_565 . . 2_565 ?
O16W Eu1 C13 C13 -81.0(5) . . . 2_565 ?
C15 Eu1 C13 C13 -157.2(4) . . . 2_565 ?
C16 Eu1 C13 C13 177.7(5) . . . 2_565 ?
O6 Eu1 C13 Eu1 -15.9(6) . . . 2_565 ?
O8 Eu1 C13 Eu1 -165.1(9) . . . 2_565 ?
O14 Eu1 C13 Eu1 -130.5(4) . . . 2_565 ?
O15W Eu1 C13 Eu1 96.4(5) . . . 2_565 ?
O5 Eu1 C13 Eu1 81.2(5) 2_665 . . 2_565 ?
O13 Eu1 C13 Eu1 165.9(5) . . . 2_565 ?
O7 Eu1 C13 Eu1 -6.7(4) 2_565 . . 2_565 ?
O16W Eu1 C13 Eu1 -81.0(5) . . . 2_565 ?
C15 Eu1 C13 Eu1 -157.2(4) . . . 2_565 ?
C13 Eu1 C13 Eu1 0.0 2_565 . . 2_565 ?
C16 Eu1 C13 Eu1 177.7(5) . . . 2_565 ?
Eu2 O9 C14 O10 -173.2(6) 2_656 . . . ?
Eu2 O9 C14 C14 4.2(11) 2_656 . . 2_656 ?
Eu2 O10 C14 O9 -174.8(6) . . . . ?
Eu2 O10 C14 C14 7.7(11) . . . 2_656 ?
Eu2 O10 C14 Eu2 164(2) . . . 2_656 ?
Eu2 O12 C15 O14 -175.1(5) . . . . ?
Eu2 O12 C15 C16 4.0(8) . . . . ?
Eu2 O12 C15 Eu1 143.9(14) . . . . ?
Eu1 O14 C15 O12 -162.6(5) . . . . ?
Eu1 O14 C15 C16 18.3(8) . . . . ?
O6 Eu1 C15 O12 7.8(17) . . . . ?
O8 Eu1 C15 O12 160.2(16) . . . . ?
O14 Eu1 C15 O12 52.6(16) . . . . ?
O15W Eu1 C15 O12 -62.9(17) . . . . ?
O5 Eu1 C15 O12 -117.5(17) 2_665 . . . ?
O13 Eu1 C15 O12 -149.0(18) . . . . ?
O7 Eu1 C15 O12 85.6(17) 2_565 . . . ?
O16W Eu1 C15 O12 87.6(17) . . . . ?
C13 Eu1 C15 O12 157.3(16) . . . . ?
C13 Eu1 C15 O12 134.1(15) 2_565 . . . ?
C16 Eu1 C15 O12 -143.9(19) . . . . ?
O6 Eu1 C15 O14 -44.8(5) . . . . ?
O8 Eu1 C15 O14 107.6(5) . . . . ?
O15W Eu1 C15 O14 -115.5(5) . . . . ?
O5 Eu1 C15 O14 -170.1(4) 2_665 . . . ?
O13 Eu1 C15 O14 158.4(6) . . . . ?
O7 Eu1 C15 O14 33.0(8) 2_565 . . . ?
O16W Eu1 C15 O14 35.0(5) . . . . ?
C13 Eu1 C15 O14 104.7(5) . . . . ?
C13 Eu1 C15 O14 81.5(7) 2_565 . . . ?
C16 Eu1 C15 O14 163.5(7) . . . . ?
O6 Eu1 C15 C16 151.7(4) . . . . ?
O8 Eu1 C15 C16 -55.9(4) . . . . ?
O14 Eu1 C15 C16 -163.5(7) . . . . ?
O15W Eu1 C15 C16 81.0(4) . . . . ?
O5 Eu1 C15 C16 26.4(4) 2_665 . . . ?
O13 Eu1 C15 C16 -5.1(3) . . . . ?
O7 Eu1 C15 C16 -130.5(5) 2_565 . . . ?
O16W Eu1 C15 C16 -128.5(4) . . . . ?
C13 Eu1 C15 C16 -58.8(4) . . . . ?
C13 Eu1 C15 C16 -82.0(5) 2_565 . . . ?
Eu1 O13 C16 O11 167.3(5) . . . . ?
Eu1 O13 C16 C15 -11.8(8) . . . . ?
Eu2 O11 C16 O13 -178.9(5) . . . . ?
Eu2 O11 C16 C15 0.2(8) . . . . ?
Eu2 O11 C16 Eu1 -143.3(19) . . . . ?
O12 C15 C16 O13 176.5(6) . . . . ?
O14 C15 C16 O13 -4.3(9) . . . . ?
Eu1 C15 C16 O13 8.3(5) . . . . ?
O12 C15 C16 O11 -2.7(9) . . . . ?
O14 C15 C16 O11 176.5(6) . . . . ?
Eu1 C15 C16 O11 -170.9(6) . . . . ?
O12 C15 C16 Eu1 168.2(6) . . . . ?
O14 C15 C16 Eu1 -12.6(5) . . . . ?
O6 Eu1 C16 O13 157.4(4) . . . . ?
O8 Eu1 C16 O13 -41.4(5) . . . . ?
O14 Eu1 C16 O13 -161.3(6) . . . . ?
O15W Eu1 C16 O13 102.3(5) . . . . ?
O5 Eu1 C16 O13 31.5(5) 2_665 . . . ?
O7 Eu1 C16 O13 -44.5(8) 2_565 . . . ?
O16W Eu1 C16 O13 -114.8(5) . . . . ?
C15 Eu1 C16 O13 -169.1(7) . . . . ?
C13 Eu1 C16 O13 -35.4(5) . . . . ?
C13 Eu1 C16 O13 -33.7(6) 2_565 . . . ?
O6 Eu1 C16 O11 113(2) . . . . ?
O8 Eu1 C16 O11 -85(2) . . . . ?
O14 Eu1 C16 O11 155(2) . . . . ?
O15W Eu1 C16 O11 58(2) . . . . ?
O5 Eu1 C16 O11 -13(2) 2_665 . . . ?
O13 Eu1 C16 O11 -44.1(19) . . . . ?
O7 Eu1 C16 O11 -89(2) 2_565 . . . ?
O16W Eu1 C16 O11 -159(2) . . . . ?
C15 Eu1 C16 O11 147(2) . . . . ?
C13 Eu1 C16 O11 -79(2) . . . . ?
C13 Eu1 C16 O11 -78(2) 2_565 . . . ?
O6 Eu1 C16 C15 -33.4(4) . . . . ?
O8 Eu1 C16 C15 127.7(4) . . . . ?
O14 Eu1 C16 C15 7.8(3) . . . . ?
O15W Eu1 C16 C15 -88.6(4) . . . . ?
O5 Eu1 C16 C15 -159.4(4) 2_665 . . . ?
O13 Eu1 C16 C15 169.1(7) . . . . ?
O7 Eu1 C16 C15 124.6(5) 2_565 . . . ?
O16W Eu1 C16 C15 54.3(4) . . . . ?
C13 Eu1 C16 C15 133.7(4) . . . . ?
C13 Eu1 C16 C15 135.4(4) 2_565 . . . ?
Eu2 O1 N1 C1 -93.6(6) 2_755 . . . ?
Eu2 O1 N1 C5 83.2(6) 2_755 . . . ?
C2 C1 N1 O1 175.4(6) . . . . ?
C2 C1 N1 C5 -1.3(11) . . . . ?
C4 C5 N1 O1 -170.7(6) . . . . ?
C11 C5 N1 O1 15.6(9) . . . . ?
C4 C5 N1 C1 6.0(11) . . . . ?
C11 C5 N1 C1 -167.7(7) . . . . ?
Eu2 O2 N2 C7 -101.9(6) 2_755 . . . ?
Eu2 O2 N2 C11 81.5(7) 2_755 . . . ?
C8 C7 N2 O2 -175.4(6) . . . . ?
C8 C7 N2 C11 1.2(10) . . . . ?
C10 C11 N2 O2 176.0(6) . . . . ?
C5 C11 N2 O2 0.8(9) . . . . ?
C10 C11 N2 C7 -0.5(10) . . . . ?
C5 C11 N2 C7 -175.7(6) . . . . ?

_diffrn_measured_fraction_theta_max 0.998
_diffrn_reflns_theta_full        26.00
_diffrn_measured_fraction_theta_full 0.998
_refine_diff_density_max         0.967
_refine_diff_density_min         -1.453
_refine_diff_density_rms         0.237
