# Electronic Supplementary Material (ESI) for Journal of Materials Chemistry A
# This journal is © The Royal Society of Chemistry 2013

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


_audit_creation_method           SHELXL-97
_chemical_name_systematic        
;
?
;
_chemical_name_common            ?
_chemical_melting_point          ?
_chemical_formula_moiety         ?
_chemical_formula_sum            'C18 H15 Eu F N O8'
_chemical_formula_weight         544.28

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'
F F 0.0171 0.0103 '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                   24.6841(13)
_cell_length_b                   12.9554(7)
_cell_length_c                   14.6905(8)
_cell_angle_alpha                90.00
_cell_angle_beta                 96.6580(10)
_cell_angle_gamma                90.00
_cell_volume                     4666.2(4)
_cell_formula_units_Z            8
_cell_measurement_temperature    185(2)
_cell_measurement_reflns_used    ?
_cell_measurement_theta_min      ?
_cell_measurement_theta_max      ?

_exptl_crystal_description       ?
_exptl_crystal_colour            ?
_exptl_crystal_size_max          0.24
_exptl_crystal_size_mid          0.21
_exptl_crystal_size_min          0.19
_exptl_crystal_density_meas      ?
_exptl_crystal_density_diffrn    1.549
_exptl_crystal_density_method    'not measured'
_exptl_crystal_F_000             2128
_exptl_absorpt_coefficient_mu    2.734
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_correction_T_min  0.569
_exptl_absorpt_correction_T_max  0.595
_exptl_absorpt_process_details   ?

_exptl_special_details           
;
?
;

_diffrn_ambient_temperature      185(2)
_diffrn_radiation_wavelength     0.71073
_diffrn_radiation_type           MoK\a
_diffrn_radiation_source         'fine-focus sealed tube'
_diffrn_radiation_monochromator  graphite
_diffrn_measurement_device_type  ?
_diffrn_measurement_method       ?
_diffrn_detector_area_resol_mean ?
_diffrn_reflns_number            4615
_diffrn_reflns_av_R_equivalents  0.0000
_diffrn_reflns_av_sigmaI/netI    0.0506
_diffrn_reflns_limit_h_min       -30
_diffrn_reflns_limit_h_max       30
_diffrn_reflns_limit_k_min       0
_diffrn_reflns_limit_k_max       16
_diffrn_reflns_limit_l_min       0
_diffrn_reflns_limit_l_max       18
_diffrn_reflns_theta_min         1.66
_diffrn_reflns_theta_max         26.05
_reflns_number_total             4604
_reflns_number_gt                3697
_reflns_threshold_expression     >2sigma(I)

_computing_data_collection       ?
_computing_cell_refinement       ?
_computing_data_reduction        ?
_computing_structure_solution    'SHELXS-97 (Sheldrick, 2008)'
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 2008)'
_computing_molecular_graphics    ?
_computing_publication_material  ?

_refine_special_details          
;
Refinement of F^2^ against ALL reflections. The weighted R-factor wR and
goodness of fit S are based on F^2^, conventional R-factors R are based
on F, with F set to zero for negative F^2^. The threshold expression of
F^2^ > 2sigma(F^2^) is used only for calculating R-factors(gt) etc. and is
not relevant to the choice of reflections for refinement. R-factors based
on F^2^ are statistically about twice as large as those based on F, and R-
factors based on ALL data will be even larger.
;

_refine_ls_structure_factor_coef Fsqd
_refine_ls_matrix_type           full
_refine_ls_weighting_scheme      calc
_refine_ls_weighting_details     
'calc w=1/[\s^2^(Fo^2^)+(0.0895P)^2^+71.5761P] where P=(Fo^2^+2Fc^2^)/3'
_atom_sites_solution_primary     direct
_atom_sites_solution_secondary   difmap
_atom_sites_solution_hydrogens   geom
_refine_ls_hydrogen_treatment    mixed
_refine_ls_extinction_method     none
_refine_ls_extinction_coef       ?
_refine_ls_number_reflns         4604
_refine_ls_number_parameters     272
_refine_ls_number_restraints     1
_refine_ls_R_factor_all          0.0675
_refine_ls_R_factor_gt           0.0568
_refine_ls_wR_factor_ref         0.1714
_refine_ls_wR_factor_gt          0.1636
_refine_ls_goodness_of_fit_ref   1.097
_refine_ls_restrained_S_all      1.108
_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 0.327357(15) 0.79449(3) 0.03221(3) 0.02127(17) Uani 1 1 d . . .
F1 F 0.5873(5) 0.8082(7) -0.1731(11) 0.136(5) Uani 1 1 d . . .
O1 O 0.2019(3) 0.4492(5) -0.4442(5) 0.0342(15) Uani 1 1 d . . .
O2 O 0.3053(3) 0.7431(5) -0.1221(4) 0.0331(14) Uani 1 1 d . . .
O3 O 0.3961(3) 0.6622(6) -0.0061(5) 0.0440(18) Uani 1 1 d . . .
O4 O 0.4124(3) 0.8218(5) -0.0366(6) 0.0430(18) Uani 1 1 d . . .
O5 O 0.2743(2) 0.6441(4) 0.0375(4) 0.0273(13) Uani 1 1 d . . .
O6 O 0.2729(2) 0.8434(6) 0.1498(4) 0.0358(15) Uani 1 1 d . . .
O7 O 0.3737(4) 0.9410(9) 0.1112(8) 0.062(3) Uani 1 1 d . . .
C1 C 0.4262(4) 0.6349(7) -0.3605(6) 0.0284(19) Uani 1 1 d . . .
C2 C 0.3708(3) 0.6042(7) -0.3373(6) 0.0281(18) Uani 1 1 d . . .
C3 C 0.3407(3) 0.5284(7) -0.3878(6) 0.0290(19) Uani 1 1 d . . .
H3 H 0.3562 0.4915 -0.4325 0.035 Uiso 1 1 calc R . .
C4 C 0.2864(3) 0.5078(7) -0.3710(6) 0.0262(18) Uani 1 1 d . . .
C5 C 0.2643(3) 0.5583(7) -0.3011(6) 0.0270(18) Uani 1 1 d . . .
H5 H 0.2283 0.5466 -0.2912 0.032 Uiso 1 1 calc R . .
C6 C 0.2966(3) 0.6270(7) -0.2457(5) 0.0246(17) Uani 1 1 d . . .
C7 C 0.3486(3) 0.6515(7) -0.2651(6) 0.0272(18) Uani 1 1 d . . .
H7 H 0.3689 0.7003 -0.2295 0.033 Uiso 1 1 calc R . .
C8 C 0.2520(4) 0.4320(7) -0.4292(6) 0.0282(19) Uani 1 1 d . . .
C9 C 0.2742(3) 0.6815(7) -0.1662(6) 0.0266(19) Uani 1 1 d . . .
C10 C 0.5378(4) 0.5643(9) -0.1126(9) 0.054(3) Uani 1 1 d . . .
H10 H 0.5464 0.4945 -0.1135 0.065 Uiso 1 1 calc R . .
C11 C 0.4879(4) 0.5949(8) -0.0835(9) 0.049(3) Uani 1 1 d . . .
H11 H 0.4637 0.5451 -0.0670 0.059 Uiso 1 1 calc R . .
C12 C 0.4749(4) 0.6955(7) -0.0793(6) 0.031(2) Uani 1 1 d . . .
C13 C 0.5089(5) 0.7670(8) -0.1093(9) 0.052(3) Uani 1 1 d . . .
H13 H 0.4999 0.8367 -0.1095 0.063 Uiso 1 1 calc R . .
C14 C 0.5572(5) 0.7349(8) -0.1396(9) 0.050(3) Uani 1 1 d . . .
C15 C 0.4245(4) 0.7272(8) -0.0384(6) 0.031(2) Uani 1 1 d . . .
O8 O 0.3724(3) 0.7233(6) 0.1729(6) 0.0500(19) Uani 1 1 d . . .
C16 C 0.3563(5) 0.6916(9) 0.2413(8) 0.050(3) Uani 1 1 d . . .
H16 H 0.3189 0.6949 0.2438 0.060 Uiso 1 1 calc R . .
N1 N 0.3867(4) 0.6514(8) 0.3157(7) 0.050(2) Uani 1 1 d D . .
C17 C 0.3617(5) 0.5983(9) 0.3850(8) 0.050(3) Uani 1 1 d . . .
H17A H 0.3789 0.5323 0.3963 0.075 Uiso 1 1 calc R . .
H17B H 0.3236 0.5885 0.3649 0.075 Uiso 1 1 calc R . .
H17C H 0.3657 0.6383 0.4404 0.075 Uiso 1 1 calc R . .
H21 H 0.387(5) 0.879(11) 0.137(9) 0.05(4) Uiso 1 1 d . . .
H20 H 0.376(6) 0.908(12) 0.081(9) 0.05(5) Uiso 1 1 d . . .
C18 C 0.4414(4) 0.6589(10) 0.3165(8) 0.050(3) Uani 1 1 d D . .
H18A H 0.4556 0.5946 0.2970 0.075 Uiso 1 1 calc R . .
H18B H 0.4577 0.6745 0.3775 0.075 Uiso 1 1 calc R . .
H18C H 0.4497 0.7129 0.2756 0.075 Uiso 1 1 calc R . .

loop_
_atom_site_aniso_label
_atom_site_aniso_U_11
_atom_site_aniso_U_22
_atom_site_aniso_U_33
_atom_site_aniso_U_23
_atom_site_aniso_U_13
_atom_site_aniso_U_12
Eu1 0.0144(2) 0.0293(3) 0.0212(3) -0.00062(16) 0.00662(16) 0.00251(16)
F1 0.110(9) 0.080(7) 0.241(15) 0.035(7) 0.119(10) 0.020(6)
O1 0.027(3) 0.028(3) 0.047(4) -0.007(3) 0.005(3) -0.001(3)
O2 0.028(3) 0.046(4) 0.028(3) -0.010(3) 0.013(3) -0.002(3)
O3 0.033(4) 0.049(4) 0.054(4) 0.017(4) 0.024(3) 0.011(3)
O4 0.022(3) 0.035(4) 0.077(5) -0.008(3) 0.024(3) 0.002(3)
O5 0.029(3) 0.023(3) 0.034(3) 0.006(2) 0.018(3) 0.005(2)
O6 0.020(3) 0.058(4) 0.032(3) -0.020(3) 0.012(3) -0.004(3)
O7 0.046(5) 0.079(8) 0.062(6) -0.035(6) 0.005(4) -0.018(5)
C1 0.027(5) 0.031(5) 0.030(4) -0.007(4) 0.014(4) -0.004(4)
C2 0.020(4) 0.029(5) 0.037(5) -0.004(4) 0.010(4) -0.003(3)
C3 0.019(4) 0.033(5) 0.038(5) -0.008(4) 0.014(4) -0.005(4)
C4 0.021(4) 0.026(4) 0.033(5) -0.005(4) 0.012(3) -0.006(3)
C5 0.017(4) 0.035(5) 0.031(4) -0.004(4) 0.010(3) -0.002(3)
C6 0.019(4) 0.032(5) 0.024(4) -0.007(3) 0.008(3) -0.001(3)
C7 0.015(4) 0.035(5) 0.033(5) -0.008(4) 0.009(3) -0.004(3)
C8 0.025(5) 0.029(4) 0.033(5) -0.002(4) 0.011(4) -0.009(4)
C9 0.019(4) 0.040(5) 0.023(4) -0.014(4) 0.009(3) -0.001(4)
C10 0.039(6) 0.040(6) 0.091(9) 0.005(6) 0.042(6) 0.004(5)
C11 0.037(6) 0.035(6) 0.082(8) 0.005(5) 0.032(6) 0.001(4)
C12 0.025(5) 0.040(5) 0.029(5) 0.011(4) 0.008(4) 0.010(4)
C13 0.043(6) 0.030(5) 0.091(9) 0.016(6) 0.035(6) 0.012(5)
C14 0.038(6) 0.041(6) 0.078(8) 0.017(6) 0.039(6) 0.011(5)
C15 0.020(4) 0.044(6) 0.032(5) 0.005(4) 0.009(4) 0.004(4)
O8 0.050(5) 0.050(5) 0.050(5) 0.000(4) 0.006(4) 0.000(4)
C16 0.050(7) 0.050(7) 0.050(7) 0.000(5) 0.006(6) 0.000(5)
N1 0.050(6) 0.050(6) 0.050(5) 0.000(4) 0.006(4) 0.000(5)
C17 0.050(7) 0.050(7) 0.050(6) 0.000(5) 0.006(5) 0.000(5)
C18 0.050(7) 0.050(7) 0.050(7) 0.000(5) 0.006(5) 0.000(5)

_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 O5 2.353(6) . ?
Eu1 O2 2.365(6) . ?
Eu1 O6 2.394(6) . ?
Eu1 O8 2.414(8) . ?
Eu1 O7 2.438(10) . ?
Eu1 O1 2.448(6) 4_554 ?
Eu1 O4 2.458(6) . ?
Eu1 O3 2.521(7) . ?
Eu1 O5 2.717(6) 7_565 ?
Eu1 C15 2.857(9) . ?
Eu1 C8 2.935(9) 4_554 ?
Eu1 Eu1 3.9964(8) 7_565 ?
Eu1 H21 2.28(13) . ?
Eu1 H20 1.98(14) . ?
F1 C14 1.335(13) . ?
O1 C8 1.251(11) . ?
O1 Eu1 2.448(6) 4_544 ?
O2 C9 1.237(11) . ?
O3 C15 1.225(11) . ?
O4 C15 1.263(12) . ?
O5 C8 1.256(10) 6_566 ?
O5 Eu1 2.717(6) 7_565 ?
O6 C9 1.258(10) 7_565 ?
O7 H21 0.94(13) . ?
O7 H20 0.62(13) . ?
C1 C14 1.359(14) 2_654 ?
C1 C10 1.366(13) 2_654 ?
C1 C2 1.500(11) . ?
C2 C3 1.392(12) . ?
C2 C7 1.392(12) . ?
C3 C4 1.416(11) . ?
C3 H3 0.9300 . ?
C4 C5 1.382(11) . ?
C4 C8 1.499(12) . ?
C5 C6 1.392(12) . ?
C5 H5 0.9300 . ?
C6 C7 1.383(11) . ?
C6 C9 1.521(11) . ?
C7 H7 0.9300 . ?
C8 O5 1.256(10) 6_565 ?
C8 Eu1 2.935(9) 4_544 ?
C9 O6 1.258(10) 7_565 ?
C10 C1 1.366(13) 2_654 ?
C10 C11 1.406(13) . ?
C10 H10 0.9300 . ?
C11 C12 1.346(13) . ?
C11 H11 0.9300 . ?
C12 C13 1.358(14) . ?
C12 C15 1.500(12) . ?
C13 C14 1.383(14) . ?
C13 H13 0.9300 . ?
C14 C1 1.359(14) 2_654 ?
O8 C16 1.195(14) . ?
C16 N1 1.356(15) . ?
C16 H16 0.9300 . ?
N1 C18 1.352(12) . ?
N1 C17 1.427(14) . ?
C17 H17A 0.9600 . ?
C17 H17B 0.9600 . ?
C17 H17C 0.9600 . ?
C18 H18A 0.9600 . ?
C18 H18B 0.9600 . ?
C18 H18C 0.9600 . ?

loop_
_geom_angle_atom_site_label_1
_geom_angle_atom_site_label_2
_geom_angle_atom_site_label_3
_geom_angle
_geom_angle_site_symmetry_1
_geom_angle_site_symmetry_3
_geom_angle_publ_flag
O5 Eu1 O2 74.4(2) . . ?
O5 Eu1 O6 80.5(2) . . ?
O2 Eu1 O6 132.8(2) . . ?
O5 Eu1 O8 81.9(2) . . ?
O2 Eu1 O8 138.2(3) . . ?
O6 Eu1 O8 74.0(3) . . ?
O5 Eu1 O7 149.4(3) . . ?
O2 Eu1 O7 135.9(3) . . ?
O6 Eu1 O7 73.8(3) . . ?
O8 Eu1 O7 75.3(4) . . ?
O5 Eu1 O1 124.3(2) . 4_554 ?
O2 Eu1 O1 72.7(2) . 4_554 ?
O6 Eu1 O1 90.5(2) . 4_554 ?
O8 Eu1 O1 147.5(2) . 4_554 ?
O7 Eu1 O1 73.0(4) . 4_554 ?
O5 Eu1 O4 129.6(2) . . ?
O2 Eu1 O4 76.1(2) . . ?
O6 Eu1 O4 146.7(2) . . ?
O8 Eu1 O4 94.4(3) . . ?
O7 Eu1 O4 73.0(3) . . ?
O1 Eu1 O4 83.0(2) 4_554 . ?
O5 Eu1 O3 80.6(2) . . ?
O2 Eu1 O3 71.4(2) . . ?
O6 Eu1 O3 142.2(2) . . ?
O8 Eu1 O3 71.1(3) . . ?
O7 Eu1 O3 110.2(3) . . ?
O1 Eu1 O3 127.1(2) 4_554 . ?
O4 Eu1 O3 51.5(2) . . ?
O5 Eu1 O5 76.2(2) . 7_565 ?
O2 Eu1 O5 67.7(2) . 7_565 ?
O6 Eu1 O5 67.9(2) . 7_565 ?
O8 Eu1 O5 138.4(2) . 7_565 ?
O7 Eu1 O5 108.2(3) . 7_565 ?
O1 Eu1 O5 50.08(19) 4_554 7_565 ?
O4 Eu1 O5 126.7(2) . 7_565 ?
O3 Eu1 O5 137.0(2) . 7_565 ?
O5 Eu1 C15 104.6(2) . . ?
O2 Eu1 C15 71.1(2) . . ?
O6 Eu1 C15 155.2(2) . . ?
O8 Eu1 C15 82.6(3) . . ?
O7 Eu1 C15 92.5(3) . . ?
O1 Eu1 C15 105.5(2) 4_554 . ?
O4 Eu1 C15 26.1(2) . . ?
O3 Eu1 C15 25.4(2) . . ?
O5 Eu1 C15 136.9(2) 7_565 . ?
O5 Eu1 C8 100.3(2) . 4_554 ?
O2 Eu1 C8 67.1(2) . 4_554 ?
O6 Eu1 C8 79.3(2) . 4_554 ?
O8 Eu1 C8 152.5(3) . 4_554 ?
O7 Eu1 C8 91.2(4) . 4_554 ?
O1 Eu1 C8 24.8(2) 4_554 4_554 ?
O4 Eu1 C8 104.5(2) . 4_554 ?
O3 Eu1 C8 136.3(2) . 4_554 ?
O5 Eu1 C8 25.3(2) 7_565 4_554 ?
C15 Eu1 C8 122.4(2) . 4_554 ?
O5 Eu1 Eu1 41.32(14) . 7_565 ?
O2 Eu1 Eu1 65.42(15) . 7_565 ?
O6 Eu1 Eu1 69.29(15) . 7_565 ?
O8 Eu1 Eu1 115.2(2) . 7_565 ?
O7 Eu1 Eu1 136.0(2) . 7_565 ?
O1 Eu1 Eu1 84.01(15) 4_554 7_565 ?
O4 Eu1 Eu1 141.45(19) . 7_565 ?
O3 Eu1 Eu1 113.61(18) . 7_565 ?
O5 Eu1 Eu1 34.88(12) 7_565 7_565 ?
C15 Eu1 Eu1 130.2(2) . 7_565 ?
C8 Eu1 Eu1 59.36(18) 4_554 7_565 ?
O5 Eu1 H21 134(3) . . ?
O2 Eu1 H21 147(3) . . ?
O6 Eu1 H21 76(3) . . ?
O8 Eu1 H21 54(3) . . ?
O7 Eu1 H21 23(3) . . ?
O1 Eu1 H21 95(3) 4_554 . ?
O4 Eu1 H21 72(3) . . ?
O3 Eu1 H21 95(3) . . ?
O5 Eu1 H21 128(3) 7_565 . ?
C15 Eu1 H21 84(3) . . ?
C8 Eu1 H21 113(3) 4_554 . ?
Eu1 Eu1 H21 145(3) 7_565 . ?
O5 Eu1 H20 157(4) . . ?
O2 Eu1 H20 128(4) . . ?
O6 Eu1 H20 85(4) . . ?
O8 Eu1 H20 77(4) . . ?
O7 Eu1 H20 11(4) . . ?
O1 Eu1 H20 73(4) 4_554 . ?
O4 Eu1 H20 62(4) . . ?
O3 Eu1 H20 101(4) . . ?
O5 Eu1 H20 114(4) 7_565 . ?
C15 Eu1 H20 82(4) . . ?
C8 Eu1 H20 94(4) 4_554 . ?
Eu1 Eu1 H20 145(4) 7_565 . ?
H21 Eu1 H20 24(5) . . ?
C8 O1 Eu1 100.0(5) . 4_544 ?
C9 O2 Eu1 138.1(6) . . ?
C15 O3 Eu1 92.8(6) . . ?
C15 O4 Eu1 94.9(5) . . ?
C8 O5 Eu1 158.9(6) 6_566 . ?
C8 O5 Eu1 87.1(5) 6_566 7_565 ?
Eu1 O5 Eu1 103.8(2) . 7_565 ?
C9 O6 Eu1 132.8(5) 7_565 . ?
Eu1 O7 H21 69(8) . . ?
Eu1 O7 H20 37(10) . . ?
H21 O7 H20 69(10) . . ?
C14 C1 C10 115.6(9) 2_654 2_654 ?
C14 C1 C2 122.4(8) 2_654 . ?
C10 C1 C2 121.9(8) 2_654 . ?
C3 C2 C7 118.8(8) . . ?
C3 C2 C1 120.7(7) . . ?
C7 C2 C1 120.4(8) . . ?
C2 C3 C4 119.9(8) . . ?
C2 C3 H3 120.0 . . ?
C4 C3 H3 120.0 . . ?
C5 C4 C3 120.1(8) . . ?
C5 C4 C8 119.2(7) . . ?
C3 C4 C8 120.7(7) . . ?
C4 C5 C6 119.3(8) . . ?
C4 C5 H5 120.3 . . ?
C6 C5 H5 120.3 . . ?
C7 C6 C5 120.4(7) . . ?
C7 C6 C9 118.7(7) . . ?
C5 C6 C9 120.8(7) . . ?
C6 C7 C2 120.9(8) . . ?
C6 C7 H7 119.5 . . ?
C2 C7 H7 119.5 . . ?
O1 C8 O5 122.7(8) . 6_565 ?
O1 C8 C4 117.8(8) . . ?
O5 C8 C4 119.5(8) 6_565 . ?
O1 C8 Eu1 55.2(4) . 4_544 ?
O5 C8 Eu1 67.6(5) 6_565 4_544 ?
C4 C8 Eu1 172.6(6) . 4_544 ?
O2 C9 O6 126.6(7) . 7_565 ?
O2 C9 C6 116.4(7) . . ?
O6 C9 C6 117.0(7) 7_565 . ?
C1 C10 C11 121.4(10) 2_654 . ?
C1 C10 H10 119.3 2_654 . ?
C11 C10 H10 119.3 . . ?
C12 C11 C10 120.6(10) . . ?
C12 C11 H11 119.7 . . ?
C10 C11 H11 119.7 . . ?
C11 C12 C13 119.1(9) . . ?
C11 C12 C15 119.8(9) . . ?
C13 C12 C15 121.1(9) . . ?
C12 C13 C14 119.2(10) . . ?
C12 C13 H13 120.4 . . ?
C14 C13 H13 120.4 . . ?
F1 C14 C1 119.8(9) . 2_654 ?
F1 C14 C13 116.3(10) . . ?
C1 C14 C13 123.9(9) 2_654 . ?
O3 C15 O4 120.7(8) . . ?
O3 C15 C12 120.3(9) . . ?
O4 C15 C12 119.0(8) . . ?
O3 C15 Eu1 61.8(5) . . ?
O4 C15 Eu1 59.0(4) . . ?
C12 C15 Eu1 177.2(6) . . ?
C16 O8 Eu1 133.3(8) . . ?
O8 C16 N1 127.1(12) . . ?
O8 C16 H16 116.5 . . ?
N1 C16 H16 116.5 . . ?
C18 N1 C16 116.0(10) . . ?
C18 N1 C17 122.8(10) . . ?
C16 N1 C17 121.0(10) . . ?
N1 C17 H17A 109.5 . . ?
N1 C17 H17B 109.5 . . ?
H17A C17 H17B 109.5 . . ?
N1 C17 H17C 109.5 . . ?
H17A C17 H17C 109.5 . . ?
H17B C17 H17C 109.5 . . ?
N1 C18 H18A 109.5 . . ?
N1 C18 H18B 109.5 . . ?
H18A C18 H18B 109.5 . . ?
N1 C18 H18C 109.5 . . ?
H18A C18 H18C 109.5 . . ?
H18B C18 H18C 109.5 . . ?

_diffrn_measured_fraction_theta_max 0.998
_diffrn_reflns_theta_full        26.05
_diffrn_measured_fraction_theta_full 0.998
_refine_diff_density_max         2.754
_refine_diff_density_min         -4.208
_refine_diff_density_rms         0.210

# SQUEEZE RESULTS (APPEND TO CIF)
# Note: Data are Listed for all Voids in the P1 Unit Cell
# i.e. Centre of Gravity, Solvent Accessible Volume,
# Recovered number of Electrons in the Void and
# Details about the Squeezed Material
loop_
_platon_squeeze_void_nr
_platon_squeeze_void_average_x
_platon_squeeze_void_average_y
_platon_squeeze_void_average_z
_platon_squeeze_void_volume
_platon_squeeze_void_count_electrons
_platon_squeeze_void_content
1 0.479 0.014 -0.005 1331 112 ' '
_platon_squeeze_details          
;
;
_database_code_depnum_ccdc_archive 'CCDC 923447'
#######################################################################
#
#                 Cambridge Crystallographic Data Centre
#                                CCDC 
# 
#######################################################################
# 
#  This CIF contains data from an original supplementary publication
#  deposited with the CCDC, and may include chemical, crystal,
#  experimental, refinement, atomic coordinates,
#  anisotropic displacement parameters and molecular geometry data,
#  as required by the journal to which it was submitted.
#
#  This CIF is provided on the understanding that it is used for bona
#  fide research purposes only. It may contain copyright material
#  of the CCDC or of third parties, and may not be copied or further
#  disseminated in any form, whether machine-readable or not,
#  except for the purpose of generating routine backup copies
#  on your local computer system.
# 
#  For further information on the CCDC, data deposition and
#  data retrieval see:
#                         www.ccdc.cam.ac.uk
#
#  Bona fide researchers may freely download Mercury and enCIFer
#  from this site to visualise CIF-encoded structures and 
#  to carry out CIF format checking respectively.
#
data_TbL
#TrackingRef 'Combined.cif'


_audit_creation_method           SHELXL-97
_chemical_name_systematic        
;
?
;
_chemical_name_common            ?
_chemical_melting_point          ?
_chemical_formula_moiety         ?
_chemical_formula_sum            'C18 H15 F N O8 Tb'
_chemical_formula_weight         551.24

loop_
_atom_type_symbol
_atom_type_description
_atom_type_scat_dispersion_real
_atom_type_scat_dispersion_imag
_atom_type_scat_source
C C 0.0033 0.0016 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
H H 0.0000 0.0000 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
O O 0.0106 0.0060 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
F F 0.0171 0.0103 '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'

_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                   24.605(2)
_cell_length_b                   12.9653(12)
_cell_length_c                   14.6200(14)
_cell_angle_alpha                90.00
_cell_angle_beta                 96.727(2)
_cell_angle_gamma                90.00
_cell_volume                     4631.9(8)
_cell_formula_units_Z            8
_cell_measurement_temperature    185(2)
_cell_measurement_reflns_used    ?
_cell_measurement_theta_min      ?
_cell_measurement_theta_max      ?

_exptl_crystal_description       ?
_exptl_crystal_colour            ?
_exptl_crystal_size_max          0.25
_exptl_crystal_size_mid          0.21
_exptl_crystal_size_min          0.18
_exptl_crystal_density_meas      ?
_exptl_crystal_density_diffrn    1.581
_exptl_crystal_density_method    'not measured'
_exptl_crystal_F_000             2144
_exptl_absorpt_coefficient_mu    3.100
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_correction_T_min  0.543
_exptl_absorpt_correction_T_max  0.609
_exptl_absorpt_process_details   ?

_exptl_special_details           
;
?
;

_diffrn_ambient_temperature      185(2)
_diffrn_radiation_wavelength     0.71073
_diffrn_radiation_type           MoK\a
_diffrn_radiation_source         'fine-focus sealed tube'
_diffrn_radiation_monochromator  graphite
_diffrn_measurement_device_type  ?
_diffrn_measurement_method       ?
_diffrn_detector_area_resol_mean ?
_diffrn_reflns_number            11186
_diffrn_reflns_av_R_equivalents  0.0431
_diffrn_reflns_av_sigmaI/netI    0.0535
_diffrn_reflns_limit_h_min       -18
_diffrn_reflns_limit_h_max       29
_diffrn_reflns_limit_k_min       -15
_diffrn_reflns_limit_k_max       15
_diffrn_reflns_limit_l_min       -14
_diffrn_reflns_limit_l_max       17
_diffrn_reflns_theta_min         1.67
_diffrn_reflns_theta_max         25.00
_reflns_number_total             4094
_reflns_number_gt                3134
_reflns_threshold_expression     >2sigma(I)

_computing_data_collection       ?
_computing_cell_refinement       ?
_computing_data_reduction        ?
_computing_structure_solution    'SHELXS-97 (Sheldrick, 2008)'
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 2008)'
_computing_molecular_graphics    ?
_computing_publication_material  ?

_refine_special_details          
;
Refinement of F^2^ against ALL reflections. The weighted R-factor wR and
goodness of fit S are based on F^2^, conventional R-factors R are based
on F, with F set to zero for negative F^2^. The threshold expression of
F^2^ > 2sigma(F^2^) is used only for calculating R-factors(gt) etc. and is
not relevant to the choice of reflections for refinement. R-factors based
on F^2^ are statistically about twice as large as those based on F, and R-
factors based on ALL data will be even larger.
;

_refine_ls_structure_factor_coef Fsqd
_refine_ls_matrix_type           full
_refine_ls_weighting_scheme      calc
_refine_ls_weighting_details     
'calc w=1/[\s^2^(Fo^2^)+(0.1027P)^2^+76.0613P] where P=(Fo^2^+2Fc^2^)/3'
_atom_sites_solution_primary     direct
_atom_sites_solution_secondary   difmap
_atom_sites_solution_hydrogens   geom
_refine_ls_hydrogen_treatment    mixed
_refine_ls_extinction_method     none
_refine_ls_extinction_coef       ?
_refine_ls_number_reflns         4090
_refine_ls_number_parameters     272
_refine_ls_number_restraints     33
_refine_ls_R_factor_all          0.0750
_refine_ls_R_factor_gt           0.0597
_refine_ls_wR_factor_ref         0.1793
_refine_ls_wR_factor_gt          0.1697
_refine_ls_goodness_of_fit_ref   1.063
_refine_ls_restrained_S_all      1.069
_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
Tb1 Tb 0.327265(18) 0.79475(4) 0.53210(3) 0.0232(2) Uani 1 1 d . . .
F1 F 0.4121(5) 0.8088(9) 0.1724(12) 0.134(6) Uani 1 1 d . . .
O1 O 0.2273(3) 0.6548(6) 0.3519(5) 0.0363(18) Uani 1 1 d . . .
O2 O 0.3057(3) 0.7427(6) 0.3790(5) 0.0304(16) Uani 1 1 d . . .
O3 O 0.2976(3) 0.9467(5) 0.4450(5) 0.0353(18) Uani 1 1 d . . .
O4 O 0.2245(3) 0.8537(5) 0.4606(5) 0.0287(16) Uani 1 1 d . . .
O5 O 0.4114(3) 0.8228(6) 0.4628(6) 0.043(2) Uani 1 1 d . . .
O6 O 0.3957(3) 0.6634(6) 0.4942(6) 0.044(2) Uani 1 1 d . . .
O8 O 0.3721(4) 0.7280(9) 0.6715(6) 0.065(3) Uani 1 1 d U . .
N1 N 0.3905(4) 0.6615(9) 0.8156(8) 0.050(3) Uani 1 1 d DU . .
C1 C 0.3716(4) 0.6045(8) 0.1632(7) 0.029(2) Uani 1 1 d . . .
C2 C 0.3483(4) 0.6507(8) 0.2353(7) 0.030(2) Uani 1 1 d . . .
H2 H 0.3686 0.6992 0.2717 0.036 Uiso 1 1 calc R . .
C3 C 0.2962(4) 0.6270(8) 0.2547(7) 0.026(2) Uani 1 1 d . . .
C4 C 0.2643(4) 0.5582(8) 0.2000(7) 0.031(2) Uani 1 1 d . . .
H4 H 0.2282 0.5465 0.2099 0.037 Uiso 1 1 calc R . .
C5 C 0.2870(4) 0.5061(8) 0.1291(7) 0.029(2) Uani 1 1 d . . .
C6 C 0.3410(4) 0.5277(8) 0.1130(7) 0.030(2) Uani 1 1 d . . .
H6 H 0.3567 0.4905 0.0685 0.036 Uiso 1 1 calc R . .
C7 C 0.4261(4) 0.6364(8) 0.1391(7) 0.028(2) Uani 1 1 d . . .
C8 C 0.4426(5) 0.7359(9) 0.1392(10) 0.048(3) Uani 1 1 d . . .
C9 C 0.4906(5) 0.7671(10) 0.1089(11) 0.052(4) Uani 1 1 d . . .
H9 H 0.4994 0.8369 0.1088 0.063 Uiso 1 1 calc R . .
C10 C 0.4626(5) 0.5638(10) 0.1129(10) 0.054(4) Uani 1 1 d . . .
H10 H 0.4540 0.4940 0.1153 0.065 Uiso 1 1 calc R . .
C11 C 0.2742(4) 0.6788(8) 0.3355(7) 0.027(2) Uani 1 1 d . . .
C12 C 0.4234(4) 0.7285(8) 0.4607(8) 0.030(2) Uani 1 1 d . . .
C13 C 0.4746(4) 0.6967(8) 0.4211(8) 0.033(2) Uani 1 1 d . . .
C14 C 0.4873(5) 0.5945(10) 0.4176(9) 0.048(3) Uani 1 1 d . . .
H14 H 0.4631 0.5452 0.4351 0.058 Uiso 1 1 calc R . .
C15 C 0.2467(4) 0.9309(8) 0.4289(7) 0.029(2) Uani 1 1 d . . .
C17 C 0.4468(5) 0.6844(10) 0.8275(9) 0.050(3) Uani 1 1 d DU . .
H17A H 0.4670 0.6256 0.8102 0.060 Uiso 1 1 calc RU . .
H17B H 0.4579 0.7010 0.8909 0.060 Uiso 1 1 calc RU . .
H17C H 0.4537 0.7422 0.7895 0.060 Uiso 1 1 calc RU . .
C18 C 0.3634(6) 0.5915(10) 0.8841(9) 0.050(3) Uani 1 1 d U . .
H18A H 0.3244 0.5995 0.8739 0.060 Uiso 1 1 calc RU . .
H18B H 0.3764 0.6110 0.9462 0.060 Uiso 1 1 calc RU . .
H18C H 0.3727 0.5208 0.8744 0.060 Uiso 1 1 calc RU . .
C16 C 0.3579(6) 0.6938(11) 0.7392(10) 0.050(3) Uani 1 1 d U . .
H16 H 0.330(6) 0.656(11) 0.751(9) 0.05(4) Uiso 1 1 d . . .
O7 O 0.3732(4) 0.9406(8) 0.6102(7) 0.064(3) Uani 1 1 d . . .
H2O7 H 0.4036 0.9266 0.5908 0.096 Uiso 1 1 d RU . .
H100 H 0.422(5) 0.943(9) 0.651(8) 0.050(10) Uiso 1 1 d U . .

loop_
_atom_site_aniso_label
_atom_site_aniso_U_11
_atom_site_aniso_U_22
_atom_site_aniso_U_33
_atom_site_aniso_U_23
_atom_site_aniso_U_13
_atom_site_aniso_U_12
Tb1 0.0153(3) 0.0289(3) 0.0266(3) -0.0003(2) 0.00727(19) 0.00209(19)
F1 0.097(9) 0.089(8) 0.237(16) -0.037(9) 0.106(11) -0.014(7)
O1 0.025(4) 0.052(5) 0.035(4) -0.013(4) 0.014(3) -0.003(4)
O2 0.030(4) 0.034(4) 0.029(4) -0.008(3) 0.012(3) -0.004(3)
O3 0.026(4) 0.025(4) 0.055(5) 0.009(3) 0.006(4) 0.007(3)
O4 0.031(4) 0.023(4) 0.034(4) 0.007(3) 0.014(3) 0.008(3)
O5 0.024(4) 0.038(5) 0.070(6) -0.011(4) 0.021(4) 0.000(3)
O6 0.034(4) 0.043(5) 0.060(5) 0.016(4) 0.026(4) 0.015(4)
O8 0.060(6) 0.107(9) 0.026(5) 0.007(5) -0.004(4) 0.028(6)
N1 0.050(6) 0.050(6) 0.050(6) 0.000(5) 0.006(5) 0.000(5)
C1 0.021(5) 0.030(5) 0.036(6) -0.009(5) 0.009(4) -0.009(4)
C2 0.018(5) 0.029(6) 0.044(6) -0.013(5) 0.009(5) -0.003(4)
C3 0.025(5) 0.027(5) 0.027(5) -0.005(4) 0.007(4) -0.003(4)
C4 0.017(5) 0.039(6) 0.041(6) -0.001(5) 0.018(5) -0.002(4)
C5 0.018(5) 0.033(6) 0.038(6) -0.002(5) 0.010(4) -0.002(4)
C6 0.025(5) 0.035(6) 0.033(6) -0.009(5) 0.013(5) -0.002(4)
C7 0.020(5) 0.035(6) 0.031(5) -0.009(4) 0.013(4) -0.001(4)
C8 0.038(7) 0.036(7) 0.077(9) -0.017(6) 0.038(7) -0.007(5)
C9 0.038(7) 0.032(6) 0.094(11) -0.007(7) 0.036(7) -0.004(5)
C10 0.046(8) 0.039(7) 0.084(10) 0.003(7) 0.035(7) 0.000(6)
C11 0.018(5) 0.035(6) 0.030(6) -0.003(4) 0.009(4) 0.002(4)
C12 0.022(5) 0.030(6) 0.040(6) 0.001(5) 0.010(5) 0.001(4)
C13 0.022(5) 0.038(6) 0.040(6) 0.009(5) 0.011(5) 0.004(5)
C14 0.036(7) 0.041(7) 0.075(9) -0.001(6) 0.032(6) 0.002(5)
C15 0.027(6) 0.030(6) 0.032(6) -0.001(4) 0.011(5) 0.004(5)
C17 0.050(8) 0.050(7) 0.050(7) 0.000(6) 0.006(6) 0.000(6)
C18 0.050(7) 0.050(7) 0.050(7) 0.000(6) 0.006(6) 0.000(6)
C16 0.050(8) 0.050(8) 0.050(7) 0.000(6) 0.006(6) 0.000(6)
O7 0.048(6) 0.075(7) 0.070(7) -0.026(5) 0.008(5) -0.019(5)

_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 O4 2.318(7) 7_566 ?
Tb1 O2 2.338(7) . ?
Tb1 O8 2.365(9) . ?
Tb1 O1 2.375(7) 7_566 ?
Tb1 O3 2.412(7) . ?
Tb1 O7 2.420(9) . ?
Tb1 O5 2.437(7) . ?
Tb1 O6 2.503(7) . ?
Tb1 O4 2.729(7) . ?
Tb1 C12 2.830(10) . ?
Tb1 C15 2.936(10) . ?
Tb1 Tb1 3.9810(9) 7_566 ?
F1 C8 1.333(15) . ?
O1 C11 1.245(12) . ?
O1 Tb1 2.375(7) 7_566 ?
O2 C11 1.256(13) . ?
O3 C15 1.262(12) . ?
O4 C15 1.255(12) . ?
O4 Tb1 2.318(7) 7_566 ?
O5 C12 1.259(13) . ?
O6 C12 1.224(13) . ?
O8 C16 1.174(17) . ?
N1 C16 1.363(18) . ?
N1 C17 1.406(13) . ?
N1 C18 1.558(16) . ?
C1 C2 1.392(14) . ?
C1 C6 1.402(14) . ?
C1 C7 1.485(13) . ?
C2 C3 1.379(14) . ?
C2 H2 0.9300 . ?
C3 C4 1.379(14) . ?
C3 C11 1.512(13) . ?
C4 C5 1.405(14) . ?
C4 H4 0.9300 . ?
C5 C6 1.405(13) . ?
C5 C15 1.481(15) 4_545 ?
C6 H6 0.9300 . ?
C7 C8 1.353(16) . ?
C7 C10 1.386(16) . ?
C8 C9 1.371(16) . ?
C9 C13 1.359(16) 2_655 ?
C9 H9 0.9300 . ?
C10 C14 1.418(16) 2_655 ?
C10 H10 0.9300 . ?
C12 C13 1.503(14) . ?
C13 C9 1.359(16) 2_655 ?
C13 C14 1.363(16) . ?
C14 C10 1.418(16) 2_655 ?
C14 H14 0.9300 . ?
C15 C5 1.481(15) 4 ?
C17 H17A 0.9600 . ?
C17 H17B 0.9600 . ?
C17 H17C 0.9600 . ?
C18 H18A 0.9600 . ?
C18 H18B 0.9600 . ?
C18 H18C 0.9600 . ?
C16 H16 0.87(14) . ?
O7 H2O7 0.8500 . ?
O7 H100 1.27(13) . ?

loop_
_geom_angle_atom_site_label_1
_geom_angle_atom_site_label_2
_geom_angle_atom_site_label_3
_geom_angle
_geom_angle_site_symmetry_1
_geom_angle_site_symmetry_3
_geom_angle_publ_flag
O4 Tb1 O2 74.9(2) 7_566 . ?
O4 Tb1 O8 81.9(3) 7_566 . ?
O2 Tb1 O8 138.6(3) . . ?
O4 Tb1 O1 80.6(2) 7_566 7_566 ?
O2 Tb1 O1 132.8(3) . 7_566 ?
O8 Tb1 O1 74.4(3) . 7_566 ?
O4 Tb1 O3 124.6(2) 7_566 . ?
O2 Tb1 O3 73.1(3) . . ?
O8 Tb1 O3 146.7(3) . . ?
O1 Tb1 O3 89.4(3) 7_566 . ?
O4 Tb1 O7 148.9(3) 7_566 . ?
O2 Tb1 O7 135.9(3) . . ?
O8 Tb1 O7 74.6(4) . . ?
O1 Tb1 O7 73.7(3) 7_566 . ?
O3 Tb1 O7 73.0(3) . . ?
O4 Tb1 O5 129.9(2) 7_566 . ?
O2 Tb1 O5 75.7(3) . . ?
O8 Tb1 O5 94.6(3) . . ?
O1 Tb1 O5 146.6(3) 7_566 . ?
O3 Tb1 O5 83.0(3) . . ?
O7 Tb1 O5 73.0(3) . . ?
O4 Tb1 O6 80.4(3) 7_566 . ?
O2 Tb1 O6 71.0(3) . . ?
O8 Tb1 O6 71.6(3) . . ?
O1 Tb1 O6 142.8(3) 7_566 . ?
O3 Tb1 O6 127.5(3) . . ?
O7 Tb1 O6 110.3(3) . . ?
O5 Tb1 O6 51.9(3) . . ?
O4 Tb1 O4 76.1(2) 7_566 . ?
O2 Tb1 O4 67.6(2) . . ?
O8 Tb1 O4 138.6(3) . . ?
O1 Tb1 O4 67.7(2) 7_566 . ?
O3 Tb1 O4 50.2(2) . . ?
O7 Tb1 O4 108.8(3) . . ?
O5 Tb1 O4 126.4(3) . . ?
O6 Tb1 O4 136.3(3) . . ?
O4 Tb1 C12 104.7(3) 7_566 . ?
O2 Tb1 C12 70.4(3) . . ?
O8 Tb1 C12 83.2(3) . . ?
O1 Tb1 C12 156.1(3) 7_566 . ?
O3 Tb1 C12 105.5(3) . . ?
O7 Tb1 C12 92.7(3) . . ?
O5 Tb1 C12 26.3(3) . . ?
O6 Tb1 C12 25.6(3) . . ?
O4 Tb1 C12 136.1(3) . . ?
O4 Tb1 C15 100.4(3) 7_566 . ?
O2 Tb1 C15 67.5(3) . . ?
O8 Tb1 C15 151.8(3) . . ?
O1 Tb1 C15 78.3(3) 7_566 . ?
O3 Tb1 C15 24.9(3) . . ?
O7 Tb1 C15 91.3(3) . . ?
O5 Tb1 C15 104.6(3) . . ?
O6 Tb1 C15 136.6(3) . . ?
O4 Tb1 C15 25.3(2) . . ?
C12 Tb1 C15 122.4(3) . . ?
O4 Tb1 Tb1 41.72(17) 7_566 7_566 ?
O2 Tb1 Tb1 65.61(17) . 7_566 ?
O8 Tb1 Tb1 115.6(3) . 7_566 ?
O1 Tb1 Tb1 69.16(18) 7_566 7_566 ?
O3 Tb1 Tb1 83.79(18) . 7_566 ?
O7 Tb1 Tb1 136.0(2) . 7_566 ?
O5 Tb1 Tb1 141.3(2) . 7_566 ?
O6 Tb1 Tb1 113.5(2) . 7_566 ?
O4 Tb1 Tb1 34.42(14) . 7_566 ?
C12 Tb1 Tb1 129.9(2) . 7_566 ?
C15 Tb1 Tb1 59.0(2) . 7_566 ?
C11 O1 Tb1 133.1(7) . 7_566 ?
C11 O2 Tb1 137.1(6) . . ?
C15 O3 Tb1 101.4(6) . . ?
C15 O4 Tb1 160.9(7) . 7_566 ?
C15 O4 Tb1 86.6(6) . . ?
Tb1 O4 Tb1 103.9(2) 7_566 . ?
C12 O5 Tb1 94.5(6) . . ?
C12 O6 Tb1 92.3(7) . . ?
C16 O8 Tb1 135.3(11) . . ?
C16 N1 C17 120.9(12) . . ?
C16 N1 C18 116.7(11) . . ?
C17 N1 C18 122.2(11) . . ?
C2 C1 C6 117.3(9) . . ?
C2 C1 C7 121.6(9) . . ?
C6 C1 C7 121.1(9) . . ?
C3 C2 C1 122.3(9) . . ?
C3 C2 H2 118.8 . . ?
C1 C2 H2 118.8 . . ?
C2 C3 C4 120.2(9) . . ?
C2 C3 C11 119.2(9) . . ?
C4 C3 C11 120.6(9) . . ?
C3 C4 C5 119.4(9) . . ?
C3 C4 H4 120.3 . . ?
C5 C4 H4 120.3 . . ?
C4 C5 C6 119.5(10) . . ?
C4 C5 C15 119.7(9) . 4_545 ?
C6 C5 C15 120.8(9) . 4_545 ?
C1 C6 C5 120.9(9) . . ?
C1 C6 H6 119.6 . . ?
C5 C6 H6 119.6 . . ?
C8 C7 C10 116.4(10) . . ?
C8 C7 C1 123.0(9) . . ?
C10 C7 C1 120.6(10) . . ?
F1 C8 C7 119.7(10) . . ?
F1 C8 C9 116.9(11) . . ?
C7 C8 C9 123.4(11) . . ?
C13 C9 C8 120.4(11) 2_655 . ?
C13 C9 H9 119.8 2_655 . ?
C8 C9 H9 119.8 . . ?
C7 C10 C14 120.8(12) . 2_655 ?
C7 C10 H10 119.6 . . ?
C14 C10 H10 119.6 2_655 . ?
O1 C11 O2 126.7(9) . . ?
O1 C11 C3 117.7(9) . . ?
O2 C11 C3 115.6(8) . . ?
O6 C12 O5 121.1(10) . . ?
O6 C12 C13 119.7(10) . . ?
O5 C12 C13 119.0(9) . . ?
O6 C12 Tb1 62.1(6) . . ?
O5 C12 Tb1 59.2(5) . . ?
C13 C12 Tb1 178.1(8) . . ?
C9 C13 C14 119.0(10) 2_655 . ?
C9 C13 C12 121.9(10) 2_655 . ?
C14 C13 C12 119.1(10) . . ?
C13 C14 C10 119.8(11) . 2_655 ?
C13 C14 H14 120.1 . . ?
C10 C14 H14 120.1 2_655 . ?
O4 C15 O3 121.7(10) . . ?
O4 C15 C5 119.9(9) . 4 ?
O3 C15 C5 118.4(9) . 4 ?
O4 C15 Tb1 68.1(5) . . ?
O3 C15 Tb1 53.7(5) . . ?
C5 C15 Tb1 171.6(7) 4 . ?
N1 C17 H17A 109.5 . . ?
N1 C17 H17B 109.5 . . ?
H17A C17 H17B 109.5 . . ?
N1 C17 H17C 109.5 . . ?
H17A C17 H17C 109.5 . . ?
H17B C17 H17C 109.5 . . ?
N1 C18 H18A 109.5 . . ?
N1 C18 H18B 109.5 . . ?
H18A C18 H18B 109.5 . . ?
N1 C18 H18C 109.5 . . ?
H18A C18 H18C 109.5 . . ?
H18B C18 H18C 109.5 . . ?
O8 C16 N1 127.1(15) . . ?
O8 C16 H16 134(9) . . ?
N1 C16 H16 94(9) . . ?
Tb1 O7 H2O7 93.2 . . ?
Tb1 O7 H100 127(6) . . ?
H2O7 O7 H100 49.2 . . ?

_diffrn_measured_fraction_theta_max 0.999
_diffrn_reflns_theta_full        25.00
_diffrn_measured_fraction_theta_full 0.999
_refine_diff_density_max         2.397
_refine_diff_density_min         -4.304
_refine_diff_density_rms         0.218

# SQUEEZE RESULTS (APPEND TO CIF)
# Note: Data are Listed for all Voids in the P1 Unit Cell
# i.e. Centre of Gravity, Solvent Accessible Volume,
# Recovered number of Electrons in the Void and
# Details about the Squeezed Material
loop_
_platon_squeeze_void_nr
_platon_squeeze_void_average_x
_platon_squeeze_void_average_y
_platon_squeeze_void_average_z
_platon_squeeze_void_volume
_platon_squeeze_void_count_electrons
_platon_squeeze_void_content
1 0.458 -0.049 -0.016 1140 357 ' '
_platon_squeeze_details          
;
;




_database_code_depnum_ccdc_archive 'CCDC 923448'