# Supplementary Information (SI) for Dalton Transactions.
# This journal is © The Royal Society of Chemistry 2024

####################################################################### 
# 
# 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_Eu-Co
_database_code_depnum_ccdc_archive 'CCDC 2361212'
loop_
_audit_author_name
_audit_author_address
'Patrizia Rossi'
;University of Firenze
Italy
;
_audit_update_record             
;
2024-06-07 deposited with the CCDC.	2024-10-28 downloaded from the CCDC.
;


_audit_creation_method           SHELXL-2018/3
_shelx_SHELXL_version_number     2018/3
_chemical_name_systematic        ?
_chemical_name_common            ?
_chemical_melting_point          ?
_chemical_formula_moiety         ?
_chemical_formula_sum            'C35 H27 Co Eu F30 O15'
_chemical_formula_weight         1468.45

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'
Co Co 0.3494 0.9721 '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'
F F 0.0171 0.0103 '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'

_space_group_crystal_system      monoclinic
_space_group_IT_number           14
_space_group_name_H-M_alt        'P 21/n'
_space_group_name_Hall           '-P 2yn'

_shelx_space_group_comment       
;
The symmetry employed for this shelxl refinement is uniquely defined
by the following loop, which should always be used as a source of
symmetry information in preference to the above space-group names.
They are only intended as comments.
;

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

_cell_length_a                   14.3491(9)
_cell_length_b                   23.3241(13)
_cell_length_c                   15.1101(10)
_cell_angle_alpha                90
_cell_angle_beta                 95.082(2)
_cell_angle_gamma                90
_cell_volume                     5037.2(5)
_cell_formula_units_Z            4
_cell_measurement_temperature    100(2)
_cell_measurement_reflns_used    9649
_cell_measurement_theta_min      2.23
_cell_measurement_theta_max      30.30

_exptl_crystal_description       prism
_exptl_crystal_colour            orange
_exptl_crystal_density_meas      ?
_exptl_crystal_density_method    ?
_exptl_crystal_density_diffrn    1.936
_exptl_crystal_F_000             2868
_exptl_transmission_factor_min   ?
_exptl_transmission_factor_max   ?
_exptl_crystal_size_max          0.2
_exptl_crystal_size_mid          0.18
_exptl_crystal_size_min          0.17
_exptl_absorpt_coefficient_mu    1.736
_shelx_estimated_absorpt_T_min   ?
_shelx_estimated_absorpt_T_max   ?
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_correction_T_min  0.6487
_exptl_absorpt_correction_T_max  0.7461
_exptl_absorpt_process_details   'SADABS-2016/2, Scheldrick 2015'
_exptl_absorpt_special_details   ?
_diffrn_ambient_temperature      100(2)
_diffrn_radiation_wavelength     0.71073
_diffrn_radiation_type           MoK\a
_diffrn_source                   ?
_diffrn_measurement_device_type  'Bruker APEX-II CCD'
_diffrn_measurement_method       'φ and ω scans'
_diffrn_detector_area_resol_mean ?
_diffrn_reflns_number            119698
_diffrn_reflns_av_unetI/netI     0.0415
_diffrn_reflns_av_R_equivalents  0.0731
_diffrn_reflns_limit_h_min       -20
_diffrn_reflns_limit_h_max       20
_diffrn_reflns_limit_k_min       -33
_diffrn_reflns_limit_k_max       33
_diffrn_reflns_limit_l_min       -21
_diffrn_reflns_limit_l_max       21
_diffrn_reflns_theta_min         2.050
_diffrn_reflns_theta_max         30.597
_diffrn_reflns_theta_full        25.242
_diffrn_measured_fraction_theta_max 0.996
_diffrn_measured_fraction_theta_full 1.000
_diffrn_reflns_Laue_measured_fraction_max 0.996
_diffrn_reflns_Laue_measured_fraction_full 1.000
_diffrn_reflns_point_group_measured_fraction_max 0.996
_diffrn_reflns_point_group_measured_fraction_full 1.000
_reflns_number_total             15458
_reflns_number_gt                12340
_reflns_threshold_expression     'I > 2σ(I)'
_reflns_Friedel_coverage         0.000
_reflns_Friedel_fraction_max     .
_reflns_Friedel_fraction_full    .

_reflns_special_details          
;
 Reflections were merged by SHELXL according to the crystal
 class for the calculation of statistics and refinement.
 
 _reflns_Friedel_fraction is defined as the number of unique
 Friedel pairs measured divided by the number that would be
 possible theoretically, ignoring centric projections and
 systematic absences.
;

_computing_data_collection       'Bruker APEX2'
_computing_cell_refinement       'Bruker SAINT'
_computing_data_reduction        'Bruker SAINT'
_computing_structure_solution    'SIR 2004 (Burla, 2005)'
_computing_structure_refinement  'SHELXL-2014 (Sheldrick 2014)'
_computing_molecular_graphics    'Bruker SHELXTL'
_computing_publication_material  'Bruker SHELXTL'
_refine_special_details          ?
_refine_ls_structure_factor_coef Fsqd
_refine_ls_matrix_type           full
_refine_ls_weighting_scheme      calc
_refine_ls_weighting_details     
'w=1/[σ²(Fo²)+(0.0345P)²+7.9046P] where P=(Fo²+2Fc²)/3'
_atom_sites_solution_primary     ?
_atom_sites_solution_secondary   ?
_atom_sites_solution_hydrogens   geom
_refine_ls_hydrogen_treatment    constr
_refine_ls_extinction_method     none
_refine_ls_extinction_coef       .
_refine_ls_number_reflns         15458
_refine_ls_number_parameters     739
_refine_ls_number_restraints     0
_refine_ls_R_factor_all          0.0535
_refine_ls_R_factor_gt           0.0359
_refine_ls_wR_factor_ref         0.0893
_refine_ls_wR_factor_gt          0.0796
_refine_ls_goodness_of_fit_ref   1.035
_refine_ls_restrained_S_all      1.035
_refine_ls_shift/su_max          0.004
_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_site_symmetry_order
_atom_site_calc_flag
_atom_site_refinement_flags_posn
_atom_site_refinement_flags_adp
_atom_site_refinement_flags_occupancy
_atom_site_disorder_assembly
_atom_site_disorder_group
Eu1 Eu 0.93068(2) 0.72879(2) 0.73297(2) 0.01533(4) Uani 1 1 d . . . . .
O1A O 0.84370(14) 0.78549(8) 0.62420(13) 0.0229(4) Uani 1 1 d . . . . .
O2A O 1.02929(13) 0.75934(8) 0.61968(13) 0.0203(4) Uani 1 1 d . . . . .
C1A C 0.8571(2) 0.81049(12) 0.55211(18) 0.0221(5) Uani 1 1 d . . . . .
C2A C 0.9378(2) 0.81161(12) 0.50843(19) 0.0238(5) Uani 1 1 d . . . . .
H2A H 0.938007 0.830065 0.452401 0.029 Uiso 1 1 calc R U . . .
C3A C 1.01909(19) 0.78538(11) 0.54731(18) 0.0207(5) Uani 1 1 d . . . . .
C4A C 0.7703(2) 0.84238(15) 0.5113(2) 0.0335(7) Uani 1 1 d . . . . .
C5A C 1.1088(2) 0.78867(14) 0.4995(2) 0.0291(6) Uani 1 1 d . . . . .
F4A1 F 0.73857(18) 0.87873(11) 0.56896(16) 0.0565(7) Uani 1 1 d . . . . .
F4A2 F 0.70128(14) 0.80495(11) 0.48889(15) 0.0484(6) Uani 1 1 d . . . . .
F4A3 F 0.78538(15) 0.87128(10) 0.43789(14) 0.0461(5) Uani 1 1 d . . . . .
F5A1 F 1.13468(16) 0.73644(9) 0.47571(16) 0.0470(6) Uani 1 1 d . . . . .
F5A2 F 1.10073(15) 0.82101(10) 0.42675(14) 0.0450(5) Uani 1 1 d . . . . .
F5A3 F 1.17863(13) 0.81023(10) 0.55296(15) 0.0441(5) Uani 1 1 d . . . . .
O1B O 0.84205(13) 0.64837(8) 0.77388(13) 0.0213(4) Uani 1 1 d . . . . .
O2B O 0.95253(14) 0.71623(8) 0.89052(13) 0.0221(4) Uani 1 1 d . . . . .
C1B C 0.82337(19) 0.62498(11) 0.84552(19) 0.0211(5) Uani 1 1 d . . . . .
C2B C 0.8556(2) 0.63992(12) 0.93131(19) 0.0243(6) Uani 1 1 d . . . . .
H2B H 0.834309 0.619378 0.979940 0.029 Uiso 1 1 calc R U . . .
C3B C 0.91905(19) 0.68490(11) 0.94727(18) 0.0205(5) Uani 1 1 d . . . . .
C4B C 0.7554(2) 0.57449(13) 0.8320(2) 0.0296(6) Uani 1 1 d . . . . .
C5B C 0.9549(2) 0.69742(13) 1.0442(2) 0.0267(6) Uani 1 1 d . . . . .
F4B1 F 0.67505(15) 0.59161(10) 0.78944(19) 0.0581(7) Uani 1 1 d . . . . .
F4B2 F 0.78903(16) 0.53435(9) 0.78183(17) 0.0502(6) Uani 1 1 d . . . . .
F4B3 F 0.7350(2) 0.55015(11) 0.90658(15) 0.0678(8) Uani 1 1 d . . . . .
F5B1 F 0.88733(14) 0.69438(11) 1.09820(13) 0.0451(5) Uani 1 1 d . . . . .
F5B2 F 1.01971(13) 0.65908(9) 1.07332(13) 0.0371(4) Uani 1 1 d . . . . .
F5B3 F 0.99568(19) 0.74849(9) 1.05326(13) 0.0493(6) Uani 1 1 d . . . . .
O3 O 0.89661(13) 0.66442(8) 0.60075(13) 0.0205(4) Uani 1 1 d . . . . .
O4 O 1.04326(13) 0.65121(8) 0.72356(13) 0.0195(4) Uani 1 1 d . . . . .
O5 O 1.09237(13) 0.75315(8) 0.79449(13) 0.0206(4) Uani 1 1 d . . . . .
O6 O 0.94788(14) 0.82468(8) 0.80237(13) 0.0229(4) Uani 1 1 d . . . . .
O7 O 0.78158(14) 0.76651(8) 0.78839(14) 0.0251(4) Uani 1 1 d . . . . .
C6 C 0.8008(2) 0.65525(13) 0.5663(2) 0.0264(6) Uani 1 1 d . . . . .
H6A H 0.767248 0.691892 0.563938 0.040 Uiso 1 1 calc R U . . .
H6B H 0.799293 0.638995 0.506373 0.040 Uiso 1 1 calc R U . . .
H6C H 0.770767 0.628639 0.605135 0.040 Uiso 1 1 calc R U . . .
C7 C 0.9473(2) 0.61111(11) 0.60480(19) 0.0235(5) Uani 1 1 d . . . . .
H7A H 0.944821 0.593434 0.545070 0.028 Uiso 1 1 calc R U . . .
H7B H 0.919163 0.584099 0.645410 0.028 Uiso 1 1 calc R U . . .
C8 C 1.0465(2) 0.62372(11) 0.63811(19) 0.0229(5) Uani 1 1 d . . . . .
H8A H 1.083334 0.587825 0.644334 0.027 Uiso 1 1 calc R U . . .
H8B H 1.075794 0.649423 0.596388 0.027 Uiso 1 1 calc R U . . .
C9 C 1.13253(19) 0.65720(12) 0.7749(2) 0.0242(6) Uani 1 1 d . . . . .
H9A H 1.178396 0.630365 0.752458 0.029 Uiso 1 1 calc R U . . .
H9B H 1.125882 0.647774 0.837964 0.029 Uiso 1 1 calc R U . . .
C10 C 1.16649(19) 0.71765(12) 0.7677(2) 0.0243(6) Uani 1 1 d . . . . .
H10A H 1.224510 0.723734 0.807086 0.029 Uiso 1 1 calc R U . . .
H10B H 1.179332 0.726406 0.705803 0.029 Uiso 1 1 calc R U . . .
C11 C 1.1128(2) 0.81376(12) 0.7980(2) 0.0256(6) Uani 1 1 d . . . . .
H11A H 1.112036 0.829814 0.737281 0.031 Uiso 1 1 calc R U . . .
H11B H 1.175151 0.820750 0.829645 0.031 Uiso 1 1 calc R U . . .
C12 C 1.0378(2) 0.84060(12) 0.8470(2) 0.0265(6) Uani 1 1 d . . . . .
H12A H 1.042549 0.826907 0.909255 0.032 Uiso 1 1 calc R U . . .
H12B H 1.044743 0.882826 0.847461 0.032 Uiso 1 1 calc R U . . .
C13 C 0.8728(2) 0.84378(13) 0.8528(2) 0.0314(7) Uani 1 1 d . . . . .
H13A H 0.875954 0.885883 0.860752 0.038 Uiso 1 1 calc R U . . .
H13B H 0.878360 0.825588 0.912193 0.038 Uiso 1 1 calc R U . . .
C14 C 0.7819(2) 0.82743(13) 0.8031(2) 0.0319(7) Uani 1 1 d . . . . .
H14A H 0.729240 0.838224 0.837853 0.038 Uiso 1 1 calc R U . . .
H14B H 0.774300 0.847862 0.745470 0.038 Uiso 1 1 calc R U . . .
C15 C 0.6919(2) 0.74792(15) 0.7471(2) 0.0312(7) Uani 1 1 d . . . . .
H15A H 0.693081 0.706364 0.737679 0.047 Uiso 1 1 calc R U . . .
H15B H 0.642854 0.757416 0.785894 0.047 Uiso 1 1 calc R U . . .
H15C H 0.678984 0.767362 0.689869 0.047 Uiso 1 1 calc R U . . .
Co1 Co 0.25501(2) 0.48254(2) 0.66455(2) 0.01792(7) Uani 1 1 d . . . . .
O1C O 0.31656(14) 0.56224(8) 0.67390(14) 0.0244(4) Uani 1 1 d . . . . .
O2C O 0.35090(14) 0.45490(8) 0.76491(14) 0.0236(4) Uani 1 1 d . . . . .
C1C C 0.38464(19) 0.57599(11) 0.72715(19) 0.0213(5) Uani 1 1 d . . . . .
C2C C 0.4346(2) 0.54272(12) 0.7914(2) 0.0240(6) Uani 1 1 d . . . . .
H2C H 0.484398 0.559873 0.827695 0.029 Uiso 1 1 calc R U . . .
C3C C 0.41412(19) 0.48518(11) 0.80422(19) 0.0222(5) Uani 1 1 d . . . . .
C4C C 0.4143(2) 0.63875(12) 0.7187(2) 0.0295(6) Uani 1 1 d . . . . .
C5C C 0.4768(2) 0.45107(13) 0.8727(2) 0.0294(6) Uani 1 1 d . . . . .
F4C1 F 0.4077(3) 0.65521(12) 0.6358(2) 0.0911(12) Uani 1 1 d . . . . .
F4C2 F 0.50165(16) 0.64933(9) 0.7470(2) 0.0631(8) Uani 1 1 d . . . . .
F4C3 F 0.3624(2) 0.67190(9) 0.7625(3) 0.0937(13) Uani 1 1 d . . . . .
F5C1 F 0.52135(16) 0.40941(9) 0.83288(14) 0.0460(5) Uani 1 1 d . . . . .
F5C2 F 0.54231(14) 0.48265(9) 0.91781(14) 0.0401(5) Uani 1 1 d . . . . .
F5C3 F 0.42706(15) 0.42613(9) 0.93228(14) 0.0436(5) Uani 1 1 d . . . . .
O1D O 0.16392(14) 0.50906(8) 0.75432(13) 0.0228(4) Uani 1 1 d . . . . .
O2D O 0.18595(13) 0.40511(8) 0.65556(13) 0.0204(4) Uani 1 1 d . . . . .
C1D C 0.1060(2) 0.47769(12) 0.78884(18) 0.0221(5) Uani 1 1 d . . . . .
C2D C 0.08016(19) 0.42137(12) 0.76709(19) 0.0218(5) Uani 1 1 d . . . . .
H2D H 0.033771 0.403289 0.798524 0.026 Uiso 1 1 calc R U . . .
C3D C 0.12009(18) 0.39084(11) 0.70088(17) 0.0179(5) Uani 1 1 d . . . . .
C4D C 0.0578(3) 0.50693(13) 0.8632(2) 0.0340(7) Uani 1 1 d . . . . .
C5D C 0.08150(19) 0.33070(11) 0.6776(2) 0.0223(5) Uani 1 1 d . . . . .
F4D1 F 0.00216(19) 0.54828(10) 0.82965(18) 0.0637(8) Uani 1 1 d . . . . .
F4D2 F 0.0060(2) 0.47240(9) 0.90666(17) 0.0676(9) Uani 1 1 d . . . . .
F4D3 F 0.1187(2) 0.53239(14) 0.92049(17) 0.0763(9) Uani 1 1 d . . . . .
F5D1 F 0.00524(13) 0.31759(8) 0.71759(13) 0.0347(4) Uani 1 1 d . . . . .
F5D2 F 0.05946(15) 0.32552(8) 0.59085(13) 0.0386(5) Uani 1 1 d . . . . .
F5D3 F 0.14536(14) 0.29124(8) 0.70273(17) 0.0459(6) Uani 1 1 d . . . . .
O1E O 0.17219(13) 0.51438(8) 0.55617(13) 0.0205(4) Uani 1 1 d . . . . .
O2E O 0.34595(13) 0.45346(8) 0.57495(13) 0.0218(4) Uani 1 1 d . . . . .
C1E C 0.19623(18) 0.51858(10) 0.47873(18) 0.0188(5) Uani 1 1 d . . . . .
C2E C 0.27659(19) 0.49818(11) 0.44345(19) 0.0213(5) Uani 1 1 d . . . . .
H2E H 0.285796 0.506174 0.383191 0.026 Uiso 1 1 calc R U . . .
C3E C 0.34382(18) 0.46625(11) 0.49478(18) 0.0195(5) Uani 1 1 d . . . . .
C4E C 0.1244(2) 0.55158(12) 0.41632(19) 0.0240(6) Uani 1 1 d . . . . .
C5E C 0.4233(2) 0.43924(12) 0.4472(2) 0.0253(6) Uani 1 1 d . . . . .
F4E1 F 0.11967(15) 0.60634(7) 0.44192(13) 0.0379(5) Uani 1 1 d . . . . .
F4E2 F 0.03927(13) 0.52948(9) 0.41870(14) 0.0391(5) Uani 1 1 d . . . . .
F4E3 F 0.14436(14) 0.55241(8) 0.33178(12) 0.0345(4) Uani 1 1 d . . . . .
F5E1 F 0.50420(11) 0.43943(7) 0.49815(12) 0.0260(3) Uani 1 1 d . . . . .
F5E2 F 0.40364(13) 0.38393(8) 0.42913(15) 0.0408(5) Uani 1 1 d . . . . .
F5E3 F 0.43832(13) 0.46520(10) 0.37145(13) 0.0391(5) 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 O1A 2.376(2) . ?
Eu1 O1B 2.3785(19) . ?
Eu1 O2B 2.392(2) . ?
Eu1 O2A 2.4226(19) . ?
Eu1 O4 2.4382(18) . ?
Eu1 O6 2.4733(19) . ?
Eu1 O5 2.4875(19) . ?
Eu1 O3 2.5122(19) . ?
Eu1 O7 2.524(2) . ?
O1A C1A 1.265(3) . ?
O2A C3A 1.248(3) . ?
C1A C2A 1.383(4) . ?
C1A C4A 1.532(4) . ?
C2A C3A 1.400(4) . ?
C3A C5A 1.532(4) . ?
C4A F4A1 1.325(4) . ?
C4A F4A3 1.332(4) . ?
C4A F4A2 1.341(4) . ?
C5A F5A3 1.329(4) . ?
C5A F5A2 1.330(4) . ?
C5A F5A1 1.332(4) . ?
O1B C1B 1.262(3) . ?
O2B C3B 1.254(3) . ?
C1B C2B 1.382(4) . ?
C1B C4B 1.531(4) . ?
C2B C3B 1.396(4) . ?
C3B C5B 1.537(4) . ?
C4B F4B3 1.318(4) . ?
C4B F4B2 1.322(4) . ?
C4B F4B1 1.331(4) . ?
C5B F5B1 1.324(3) . ?
C5B F5B3 1.329(4) . ?
C5B F5B2 1.336(4) . ?
O3 C7 1.439(3) . ?
O3 C6 1.442(3) . ?
O4 C9 1.445(3) . ?
O4 C8 1.446(3) . ?
O5 C10 1.434(3) . ?
O5 C11 1.444(3) . ?
O6 C13 1.443(3) . ?
O6 C12 1.450(4) . ?
O7 C14 1.438(3) . ?
O7 C15 1.446(4) . ?
C7 C8 1.497(4) . ?
C9 C10 1.499(4) . ?
C11 C12 1.497(4) . ?
C13 C14 1.496(5) . ?
Co1 O1C 2.0577(19) . ?
Co1 O2D 2.0587(18) . ?
Co1 O2C 2.059(2) . ?
Co1 O1D 2.060(2) . ?
Co1 O1E 2.074(2) . ?
Co1 O2E 2.0757(19) . ?
O1C C1C 1.251(3) . ?
O2C C3C 1.257(3) . ?
C1C C2C 1.391(4) . ?
C1C C4C 1.533(4) . ?
C2C C3C 1.391(4) . ?
C3C C5C 1.532(4) . ?
C4C F4C3 1.295(4) . ?
C4C F4C1 1.305(4) . ?
C4C F4C2 1.312(4) . ?
C5C F5C3 1.331(4) . ?
C5C F5C2 1.334(4) . ?
C5C F5C1 1.335(3) . ?
O1D C1D 1.255(3) . ?
O2D C3D 1.260(3) . ?
C1D C2D 1.396(4) . ?
C1D C4D 1.532(4) . ?
C2D C3D 1.392(4) . ?
C3D C5D 1.537(4) . ?
C4D F4D2 1.311(4) . ?
C4D F4D3 1.316(4) . ?
C4D F4D1 1.324(4) . ?
C5D F5D2 1.327(3) . ?
C5D F5D3 1.330(3) . ?
C5D F5D1 1.331(3) . ?
O1E C1E 1.253(3) . ?
O2E C3E 1.245(3) . ?
C1E C2E 1.396(4) . ?
C1E C4E 1.540(4) . ?
C2E C3E 1.398(4) . ?
C3E C5E 1.536(4) . ?
C4E F4E2 1.330(3) . ?
C4E F4E3 1.334(3) . ?
C4E F4E1 1.338(3) . ?
C5E F5E3 1.329(4) . ?
C5E F5E1 1.335(3) . ?
C5E F5E2 1.344(3) . ?

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
O1A Eu1 O1B 111.01(7) . . ?
O1A Eu1 O2B 140.47(7) . . ?
O1B Eu1 O2B 70.77(7) . . ?
O1A Eu1 O2A 69.60(7) . . ?
O1B Eu1 O2A 140.79(6) . . ?
O2B Eu1 O2A 134.92(7) . . ?
O1A Eu1 O4 133.08(7) . . ?
O1B Eu1 O4 78.59(6) . . ?
O2B Eu1 O4 86.45(7) . . ?
O2A Eu1 O4 75.27(6) . . ?
O1A Eu1 O6 79.43(7) . . ?
O1B Eu1 O6 129.68(7) . . ?
O2B Eu1 O6 71.90(7) . . ?
O2A Eu1 O6 89.49(6) . . ?
O4 Eu1 O6 130.85(6) . . ?
O1A Eu1 O5 123.15(7) . . ?
O1B Eu1 O5 125.84(7) . . ?
O2B Eu1 O5 67.68(7) . . ?
O2A Eu1 O5 67.24(7) . . ?
O4 Eu1 O5 65.83(6) . . ?
O6 Eu1 O5 65.18(6) . . ?
O1A Eu1 O3 74.29(7) . . ?
O1B Eu1 O3 70.40(6) . . ?
O2B Eu1 O3 135.85(6) . . ?
O2A Eu1 O3 72.46(6) . . ?
O4 Eu1 O3 66.01(6) . . ?
O6 Eu1 O3 151.97(6) . . ?
O5 Eu1 O3 122.89(6) . . ?
O1A Eu1 O7 68.08(7) . . ?
O1B Eu1 O7 72.55(6) . . ?
O2B Eu1 O7 75.68(7) . . ?
O2A Eu1 O7 134.21(6) . . ?
O4 Eu1 O7 149.71(6) . . ?
O6 Eu1 O7 66.41(7) . . ?
O5 Eu1 O7 125.90(7) . . ?
O3 Eu1 O7 111.17(7) . . ?
C1A O1A Eu1 137.88(18) . . ?
C3A O2A Eu1 137.02(18) . . ?
O1A C1A C2A 128.1(3) . . ?
O1A C1A C4A 113.0(3) . . ?
C2A C1A C4A 118.9(3) . . ?
C1A C2A C3A 119.6(3) . . ?
O2A C3A C2A 127.5(3) . . ?
O2A C3A C5A 113.5(2) . . ?
C2A C3A C5A 119.0(2) . . ?
F4A1 C4A F4A3 108.3(3) . . ?
F4A1 C4A F4A2 107.1(3) . . ?
F4A3 C4A F4A2 106.8(3) . . ?
F4A1 C4A C1A 111.1(3) . . ?
F4A3 C4A C1A 113.2(3) . . ?
F4A2 C4A C1A 110.0(3) . . ?
F5A3 C5A F5A2 107.0(3) . . ?
F5A3 C5A F5A1 107.3(3) . . ?
F5A2 C5A F5A1 107.5(3) . . ?
F5A3 C5A C3A 110.7(3) . . ?
F5A2 C5A C3A 113.8(3) . . ?
F5A1 C5A C3A 110.3(2) . . ?
C1B O1B Eu1 136.30(18) . . ?
C3B O2B Eu1 136.68(18) . . ?
O1B C1B C2B 128.1(3) . . ?
O1B C1B C4B 113.5(3) . . ?
C2B C1B C4B 118.4(2) . . ?
C1B C2B C3B 120.7(3) . . ?
O2B C3B C2B 127.1(3) . . ?
O2B C3B C5B 115.1(2) . . ?
C2B C3B C5B 117.8(2) . . ?
F4B3 C4B F4B2 107.8(3) . . ?
F4B3 C4B F4B1 107.1(3) . . ?
F4B2 C4B F4B1 106.2(3) . . ?
F4B3 C4B C1B 113.9(3) . . ?
F4B2 C4B C1B 111.1(2) . . ?
F4B1 C4B C1B 110.4(3) . . ?
F5B1 C5B F5B3 108.9(3) . . ?
F5B1 C5B F5B2 106.7(2) . . ?
F5B3 C5B F5B2 106.2(3) . . ?
F5B1 C5B C3B 112.1(3) . . ?
F5B3 C5B C3B 112.1(2) . . ?
F5B2 C5B C3B 110.6(2) . . ?
C7 O3 C6 110.4(2) . . ?
C7 O3 Eu1 114.88(15) . . ?
C6 O3 Eu1 119.20(16) . . ?
C9 O4 C8 115.2(2) . . ?
C9 O4 Eu1 117.21(15) . . ?
C8 O4 Eu1 117.07(15) . . ?
C10 O5 C11 115.0(2) . . ?
C10 O5 Eu1 116.93(15) . . ?
C11 O5 Eu1 114.65(16) . . ?
C13 O6 C12 110.5(2) . . ?
C13 O6 Eu1 116.85(17) . . ?
C12 O6 Eu1 118.68(15) . . ?
C14 O7 C15 110.7(2) . . ?
C14 O7 Eu1 113.87(17) . . ?
C15 O7 Eu1 120.04(17) . . ?
O3 C7 C8 107.9(2) . . ?
O4 C8 C7 106.4(2) . . ?
O4 C9 C10 109.3(2) . . ?
O5 C10 C9 105.6(2) . . ?
O5 C11 C12 106.0(2) . . ?
O6 C12 C11 108.2(2) . . ?
O6 C13 C14 108.4(2) . . ?
O7 C14 C13 108.7(2) . . ?
O1C Co1 O2D 176.64(8) . . ?
O1C Co1 O2C 88.71(8) . . ?
O2D Co1 O2C 93.46(8) . . ?
O1C Co1 O1D 88.68(8) . . ?
O2D Co1 O1D 88.68(8) . . ?
O2C Co1 O1D 91.76(8) . . ?
O1C Co1 O1E 86.74(8) . . ?
O2D Co1 O1E 91.33(8) . . ?
O2C Co1 O1E 173.02(8) . . ?
O1D Co1 O1E 93.43(8) . . ?
O1C Co1 O2E 92.82(8) . . ?
O2D Co1 O2E 89.83(8) . . ?
O2C Co1 O2E 87.73(8) . . ?
O1D Co1 O2E 178.40(8) . . ?
O1E Co1 O2E 87.21(8) . . ?
C1C O1C Co1 125.57(18) . . ?
C3C O2C Co1 125.42(18) . . ?
O1C C1C C2C 129.1(3) . . ?
O1C C1C C4C 113.4(3) . . ?
C2C C1C C4C 117.5(3) . . ?
C1C C2C C3C 122.2(3) . . ?
O2C C3C C2C 129.0(3) . . ?
O2C C3C C5C 112.5(2) . . ?
C2C C3C C5C 118.5(3) . . ?
F4C3 C4C F4C1 108.6(3) . . ?
F4C3 C4C F4C2 107.2(3) . . ?
F4C1 C4C F4C2 104.1(3) . . ?
F4C3 C4C C1C 110.6(2) . . ?
F4C1 C4C C1C 111.4(3) . . ?
F4C2 C4C C1C 114.6(3) . . ?
F5C3 C5C F5C2 106.9(3) . . ?
F5C3 C5C F5C1 107.1(3) . . ?
F5C2 C5C F5C1 106.7(3) . . ?
F5C3 C5C C3C 111.5(3) . . ?
F5C2 C5C C3C 113.8(2) . . ?
F5C1 C5C C3C 110.5(2) . . ?
C1D O1D Co1 125.49(18) . . ?
C3D O2D Co1 125.16(17) . . ?
O1D C1D C2D 128.5(3) . . ?
O1D C1D C4D 113.9(2) . . ?
C2D C1D C4D 117.6(2) . . ?
C3D C2D C1D 122.2(2) . . ?
O2D C3D C2D 129.2(2) . . ?
O2D C3D C5D 112.9(2) . . ?
C2D C3D C5D 117.9(2) . . ?
F4D2 C4D F4D3 108.7(3) . . ?
F4D2 C4D F4D1 106.9(3) . . ?
F4D3 C4D F4D1 105.4(3) . . ?
F4D2 C4D C1D 114.0(2) . . ?
F4D3 C4D C1D 111.5(3) . . ?
F4D1 C4D C1D 109.8(3) . . ?
F5D2 C5D F5D3 108.5(2) . . ?
F5D2 C5D F5D1 107.1(2) . . ?
F5D3 C5D F5D1 106.6(2) . . ?
F5D2 C5D C3D 111.0(2) . . ?
F5D3 C5D C3D 109.9(2) . . ?
F5D1 C5D C3D 113.6(2) . . ?
C1E O1E Co1 125.43(17) . . ?
C3E O2E Co1 126.41(17) . . ?
O1E C1E C2E 129.4(3) . . ?
O1E C1E C4E 112.7(2) . . ?
C2E C1E C4E 117.8(2) . . ?
C1E C2E C3E 121.5(3) . . ?
O2E C3E C2E 128.6(2) . . ?
O2E C3E C5E 113.7(2) . . ?
C2E C3E C5E 117.6(2) . . ?
F4E2 C4E F4E3 107.9(2) . . ?
F4E2 C4E F4E1 106.9(2) . . ?
F4E3 C4E F4E1 106.5(2) . . ?
F4E2 C4E C1E 110.9(2) . . ?
F4E3 C4E C1E 113.9(2) . . ?
F4E1 C4E C1E 110.4(2) . . ?
F5E3 C5E F5E1 107.2(2) . . ?
F5E3 C5E F5E2 108.0(3) . . ?
F5E1 C5E F5E2 106.1(2) . . ?
F5E3 C5E C3E 113.6(2) . . ?
F5E1 C5E C3E 111.9(2) . . ?
F5E2 C5E C3E 109.7(2) . . ?

_refine_diff_density_max         1.535
_refine_diff_density_min         -1.558
_refine_diff_density_rms         0.114



####################################################################### 
# 
# 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_Y-Co
_database_code_depnum_ccdc_archive 'CCDC 2361213'
loop_
_audit_author_name
_audit_author_address
'Patrizia Rossi'
;University of Firenze
Italy
;
_audit_update_record             
;
2024-06-07 deposited with the CCDC.	2024-10-28 downloaded from the CCDC.
;

# start Validation Reply Form
_vrf_PLAT201_Y-Co                
;
PROBLEM: Isotropic non-H Atoms in Main Residue(s) ....... 3 Report
RESPONSE: some CF3 groups are effected by disorder.
Different models were used and the flourine atoms were
isotropically refined
;

_audit_creation_method           SHELXL-2018/3
_shelx_SHELXL_version_number     2018/3
_chemical_name_systematic        ?
_chemical_name_common            ?
_chemical_melting_point          ?
_chemical_formula_moiety         ?
_chemical_formula_sum            'C35 H27 Co F30 O15 Y'
_chemical_formula_weight         1405.40


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'
Co Co 0.3494 0.9721 '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'
Y Y -2.7962 3.5667 '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'

_space_group_crystal_system      monoclinic
_space_group_IT_number           14
_space_group_name_H-M_alt        'P 21/n'
_space_group_name_Hall           '-P 2yn'

_shelx_space_group_comment       
;
The symmetry employed for this shelxl refinement is uniquely defined
by the following loop, which should always be used as a source of
symmetry information in preference to the above space-group names.
They are only intended as comments.
;

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

_cell_length_a                   14.2628(5)
_cell_length_b                   23.3033(8)
_cell_length_c                   15.0829(6)
_cell_angle_alpha                90
_cell_angle_beta                 94.9670(10)
_cell_angle_gamma                90
_cell_volume                     4994.3(3)
_cell_formula_units_Z            4
_cell_measurement_temperature    100(2)
_cell_measurement_reflns_used    9322
_cell_measurement_theta_min      2.21
_cell_measurement_theta_max      29.70


_exptl_crystal_description       prismatic
_exptl_crystal_colour            orange
_exptl_crystal_density_meas      ?
_exptl_crystal_density_method    ?
_exptl_crystal_density_diffrn    1.869
_exptl_crystal_F_000             2772
_exptl_transmission_factor_min   ?
_exptl_transmission_factor_max   ?
_exptl_crystal_size_max          0.180
_exptl_crystal_size_mid          0.140
_exptl_crystal_size_min          0.120
_exptl_absorpt_coefficient_mu    1.663
_shelx_estimated_absorpt_T_min   0.754
_shelx_estimated_absorpt_T_max   0.825
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_correction_T_min  0.7080
_exptl_absorpt_correction_T_max  0.7465
_exptl_absorpt_process_details   'SADABS-2016/2, Sheldrick 2015'
_exptl_absorpt_special_details   ?
_diffrn_ambient_temperature      100(2)
_diffrn_radiation_wavelength     0.71073
_diffrn_radiation_type           MoK\a
_diffrn_source                   ?
_diffrn_measurement_device_type  'Bruker APEX-II CCD'
_diffrn_measurement_method       'φ and ω scans'
_diffrn_detector_area_resol_mean ?
_diffrn_reflns_number            205161
_diffrn_reflns_av_unetI/netI     0.0642
_diffrn_reflns_av_R_equivalents  0.0999
_diffrn_reflns_limit_h_min       -21
_diffrn_reflns_limit_h_max       21
_diffrn_reflns_limit_k_min       -33
_diffrn_reflns_limit_k_max       35
_diffrn_reflns_limit_l_min       -23
_diffrn_reflns_limit_l_max       23
_diffrn_reflns_theta_min         1.679
_diffrn_reflns_theta_max         33.199
_diffrn_reflns_theta_full        25.242
_diffrn_measured_fraction_theta_max 0.995
_diffrn_measured_fraction_theta_full 1.000
_diffrn_reflns_Laue_measured_fraction_max 0.995
_diffrn_reflns_Laue_measured_fraction_full 1.000
_diffrn_reflns_point_group_measured_fraction_max 0.995
_diffrn_reflns_point_group_measured_fraction_full 1.000
_reflns_number_total             19021
_reflns_number_gt                12329
_reflns_threshold_expression     'I > 2σ(I)'
_reflns_Friedel_coverage         0.000
_reflns_Friedel_fraction_max     .
_reflns_Friedel_fraction_full    .

_reflns_special_details          
;
 Reflections were merged by SHELXL according to the crystal
 class for the calculation of statistics and refinement.
 
 _reflns_Friedel_fraction is defined as the number of unique
 Friedel pairs measured divided by the number that would be
 possible theoretically, ignoring centric projections and
 systematic absences.
;

_computing_data_collection       'Bruker APEX2'
_computing_cell_refinement       'Bruker SAINT'
_computing_data_reduction        'Bruker SAINT'
_computing_structure_solution    'SIR 2004 (Burla, 2005)'
_computing_structure_refinement  'SHELXL-2018/3 (Sheldrick, 2018)'
_computing_molecular_graphics    ?
_computing_publication_material  ?
_refine_special_details          ?
_refine_ls_structure_factor_coef Fsqd
_refine_ls_matrix_type           full
_refine_ls_weighting_scheme      calc
_refine_ls_weighting_details     
'w=1/[σ²(Fo²)+(0.0788P)²+24.4624P] where P=(Fo²+2Fc²)/3'
_atom_sites_solution_primary     ?
_atom_sites_solution_secondary   ?
_atom_sites_solution_hydrogens   geom
_refine_ls_hydrogen_treatment    constr
_refine_ls_extinction_method     none
_refine_ls_extinction_coef       .
_refine_ls_number_reflns         19021
_refine_ls_number_parameters     751
_refine_ls_number_restraints     0
_refine_ls_R_factor_all          0.1100
_refine_ls_R_factor_gt           0.0551
_refine_ls_wR_factor_ref         0.1646
_refine_ls_wR_factor_gt          0.1242
_refine_ls_goodness_of_fit_ref   0.819
_refine_ls_restrained_S_all      0.819
_refine_ls_shift/su_max          0.013
_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_site_symmetry_order
_atom_site_calc_flag
_atom_site_refinement_flags_posn
_atom_site_refinement_flags_adp
_atom_site_refinement_flags_occupancy
_atom_site_disorder_assembly
_atom_site_disorder_group
Y1 Y 0.93108(2) 0.27181(2) 0.73464(2) 0.01612(6) Uani 1 1 d . . . . .
O1D O 0.95225(16) 0.28306(10) 0.88959(15) 0.0221(4) Uani 1 1 d . . . . .
O2D O 0.84447(15) 0.35147(10) 0.77351(15) 0.0210(4) Uani 1 1 d . . . . .
C1D C 0.9190(2) 0.31394(13) 0.9464(2) 0.0207(5) Uani 1 1 d . . . . .
C2D C 0.8559(2) 0.35988(14) 0.9315(2) 0.0253(6) Uani 1 1 d . . . . .
H2D H 0.834602 0.380461 0.980253 0.030 Uiso 1 1 calc R U . . .
C3D C 0.8250(2) 0.37500(13) 0.8449(2) 0.0213(6) Uani 1 1 d . . . . .
C4D C 0.9553(3) 0.30102(15) 1.0436(2) 0.0271(6) Uani 1 1 d . . . . .
C5D C 0.7578(3) 0.42626(16) 0.8312(2) 0.0291(7) Uani 1 1 d . . . . .
F4D1 F 0.9954(2) 0.24967(11) 1.05183(15) 0.0470(7) Uani 1 1 d . . . . .
F4D2 F 1.02026(16) 0.33908(11) 1.07326(15) 0.0367(5) Uani 1 1 d . . . . .
F4D3 F 0.88664(17) 0.30388(13) 1.09758(15) 0.0455(6) Uani 1 1 d . . . . .
F5D1 F 0.7390(5) 0.4518(3) 0.9068(4) 0.0277(11) Uiso 0.5 1 d . . P A 1
F5D2 F 0.7968(5) 0.4660(3) 0.7779(5) 0.0265(13) Uiso 0.5 1 d . . P A 1
F5D3 F 0.6739(5) 0.4059(3) 0.7873(5) 0.0336(15) Uiso 0.5 1 d . . P A 1
F5D4 F 0.7129(7) 0.4393(4) 0.9019(6) 0.028(2) Uiso 0.25 1 d . . P A 2
F5D5 F 0.7990(8) 0.4715(5) 0.8028(8) 0.032(3) Uiso 0.25 1 d . . P A 2
F5D6 F 0.6862(8) 0.4174(5) 0.7705(8) 0.033(3) Uiso 0.25 1 d . . P A 2
F5D7 F 0.7651(8) 0.4630(5) 0.9052(7) 0.033(3) Uiso 0.25 1 d . . P A 3
F5D8 F 0.6752(7) 0.4114(4) 0.8146(7) 0.026(2) Uiso 0.25 1 d . . P A 3
F5D9 F 0.7748(8) 0.4598(5) 0.7658(7) 0.028(3) Uiso 0.25 1 d . . P A 3
O1E O 0.84413(16) 0.21643(10) 0.62858(15) 0.0225(4) Uani 1 1 d . . . . .
O2E O 1.02921(15) 0.24280(9) 0.62337(15) 0.0206(4) Uani 1 1 d . . . . .
C1E C 0.8570(2) 0.19174(14) 0.5566(2) 0.0223(6) Uani 1 1 d . . . . .
C2E C 0.9378(2) 0.19035(15) 0.5118(2) 0.0238(6) Uani 1 1 d . . . . .
H2E H 0.937788 0.171883 0.455662 0.029 Uiso 1 1 calc R U . . .
C3E C 1.0194(2) 0.21657(13) 0.5507(2) 0.0215(6) Uani 1 1 d . . . . .
C4E C 0.7697(3) 0.15991(17) 0.5156(3) 0.0323(7) Uani 1 1 d . . . . .
C5E C 1.1100(2) 0.21297(16) 0.5033(2) 0.0278(7) Uani 1 1 d . . . . .
F4E1 F 0.7291(3) 0.1285(2) 0.5750(3) 0.0336(10) Uiso 0.6 1 d . . P B 1
F4E2 F 0.7838(3) 0.1250(2) 0.4494(3) 0.0331(11) Uiso 0.6 1 d . . P B 1
F4E3 F 0.7029(3) 0.2027(2) 0.4878(3) 0.0314(10) Uiso 0.6 1 d . . P B 1
F4E4 F 0.7504(5) 0.1158(3) 0.5720(4) 0.0333(15) Uiso 0.4 1 d . . P B 2
F4E5 F 0.7855(4) 0.1378(3) 0.4329(4) 0.0246(13) Uiso 0.4 1 d . . P B 2
F4E6 F 0.6969(5) 0.1892(3) 0.5007(4) 0.0281(14) Uiso 0.4 1 d . . P B 2
F5E1 F 1.17979(16) 0.19119(12) 0.55716(17) 0.0433(6) Uani 1 1 d . . . . .
F5E2 F 1.13675(19) 0.26517(11) 0.47973(19) 0.0464(6) Uani 1 1 d . . . . .
F5E3 F 1.10181(18) 0.18063(12) 0.43052(16) 0.0432(6) Uani 1 1 d . . . . .
O3 O 0.78066(16) 0.23714(10) 0.78835(16) 0.0236(4) Uani 1 1 d . . . . .
O4 O 0.94467(16) 0.17688(9) 0.80089(15) 0.0223(4) Uani 1 1 d . . . . .
O5 O 1.09068(15) 0.24655(9) 0.79513(15) 0.0209(4) Uani 1 1 d . . . . .
O6 O 1.04168(15) 0.34833(9) 0.72725(15) 0.0198(4) Uani 1 1 d . . . . .
O7 O 0.89628(15) 0.33478(9) 0.60379(14) 0.0203(4) Uani 1 1 d . . . . .
C6 C 0.6915(2) 0.25696(17) 0.7467(3) 0.0295(7) Uani 1 1 d . . . . .
H6A H 0.694516 0.298472 0.736931 0.044 Uiso 1 1 calc R U . . .
H6B H 0.677994 0.237437 0.689504 0.044 Uiso 1 1 calc R U . . .
H6C H 0.641622 0.248434 0.785496 0.044 Uiso 1 1 calc R U . . .
C7 C 0.7778(3) 0.17639(15) 0.8033(3) 0.0291(7) Uani 1 1 d . . . . .
H7A H 0.768350 0.155844 0.745775 0.035 Uiso 1 1 calc R U . . .
H7B H 0.724998 0.166744 0.839106 0.035 Uiso 1 1 calc R U . . .
C8 C 0.8692(3) 0.15881(15) 0.8518(3) 0.0300(7) Uani 1 1 d . . . . .
H8A H 0.876058 0.176826 0.911456 0.036 Uiso 1 1 calc R U . . .
H8B H 0.870946 0.116620 0.859530 0.036 Uiso 1 1 calc R U . . .
C9 C 1.0345(2) 0.15912(14) 0.8453(2) 0.0266(6) Uani 1 1 d . . . . .
H9A H 1.039990 0.116787 0.844161 0.032 Uiso 1 1 calc R U . . .
H9B H 1.039434 0.171828 0.908210 0.032 Uiso 1 1 calc R U . . .
C10 C 1.1108(2) 0.18578(13) 0.7975(2) 0.0243(6) Uani 1 1 d . . . . .
H10A H 1.173150 0.178335 0.829670 0.029 Uiso 1 1 calc R U . . .
H10B H 1.110596 0.170156 0.736488 0.029 Uiso 1 1 calc R U . . .
C11 C 1.1664(2) 0.28220(13) 0.7720(2) 0.0242(6) Uani 1 1 d . . . . .
H11A H 1.182081 0.274090 0.710559 0.029 Uiso 1 1 calc R U . . .
H11B H 1.223220 0.275884 0.813367 0.029 Uiso 1 1 calc R U . . .
C12 C 1.1309(2) 0.34255(13) 0.7795(2) 0.0236(6) Uani 1 1 d . . . . .
H12A H 1.123152 0.351600 0.842603 0.028 Uiso 1 1 calc R U . . .
H12B H 1.176970 0.369833 0.757851 0.028 Uiso 1 1 calc R U . . .
C13 C 1.0465(2) 0.37612(13) 0.6423(2) 0.0224(6) Uani 1 1 d . . . . .
H13A H 1.077238 0.350714 0.600856 0.027 Uiso 1 1 calc R U . . .
H13B H 1.082921 0.412230 0.649391 0.027 Uiso 1 1 calc R U . . .
C14 C 0.9476(2) 0.38822(13) 0.6076(2) 0.0234(6) Uani 1 1 d . . . . .
H14A H 0.918521 0.415615 0.647230 0.028 Uiso 1 1 calc R U . . .
H14B H 0.946090 0.405428 0.547434 0.028 Uiso 1 1 calc R U . . .
C15 C 0.8005(2) 0.34398(15) 0.5682(2) 0.0271(7) Uani 1 1 d . . . . .
H15A H 0.766513 0.307383 0.566044 0.041 Uiso 1 1 calc R U . . .
H15B H 0.769859 0.370939 0.606389 0.041 Uiso 1 1 calc R U . . .
H15C H 0.799885 0.359879 0.508023 0.041 Uiso 1 1 calc R U . . .
Co1 Co 0.25608(3) 0.51818(2) 0.66587(3) 0.01836(9) Uani 1 1 d . . . . .
O1A O 0.31815(16) 0.43844(10) 0.67606(16) 0.0244(4) Uani 1 1 d . . . . .
O2A O 0.35259(17) 0.54613(10) 0.76591(16) 0.0245(5) Uani 1 1 d . . . . .
C1A C 0.3858(2) 0.42449(13) 0.7303(2) 0.0214(6) Uani 1 1 d . . . . .
C2A C 0.4355(2) 0.45798(14) 0.7949(2) 0.0241(6) Uani 1 1 d . . . . .
H2A H 0.484464 0.440789 0.832585 0.029 Uiso 1 1 calc R U . . .
C3A C 0.4155(2) 0.51588(14) 0.8058(2) 0.0218(6) Uani 1 1 d . . . . .
C4A C 0.4145(2) 0.36131(15) 0.7233(2) 0.0282(7) Uani 1 1 d . . . . .
C5A C 0.4792(3) 0.54995(15) 0.8750(2) 0.0283(7) Uani 1 1 d . . . . .
F4A1 F 0.3623(4) 0.3293(2) 0.7707(4) 0.0274(10) Uiso 0.5 1 d . . P C 1
F4A2 F 0.5063(3) 0.3522(2) 0.7514(4) 0.0232(9) Uiso 0.5 1 d . . P C 1
F4A3 F 0.4035(5) 0.3438(2) 0.6374(4) 0.0346(12) Uiso 0.5 1 d . . P C 1
F4A4 F 0.3824(6) 0.3325(3) 0.7998(6) 0.0181(16) Uiso 0.25 1 d . . P C 2
F4A5 F 0.4982(7) 0.3495(4) 0.7203(7) 0.031(2) Uiso 0.25 1 d . . P C 2
F4A6 F 0.3668(8) 0.3323(4) 0.6573(7) 0.037(2) Uiso 0.25 1 d . . P C 2
F4A7 F 0.3446(6) 0.3261(4) 0.7364(7) 0.0268(18) Uiso 0.25 1 d . . P C 3
F4A9 F 0.4339(8) 0.3503(5) 0.6402(7) 0.033(2) Uiso 0.25 1 d . . P C 3
F4A8 F 0.4916(9) 0.3476(5) 0.7803(8) 0.043(3) Uiso 0.25 1 d . . P C 3
F5A1 F 0.52384(18) 0.59133(11) 0.83349(16) 0.0436(6) Uani 1 1 d . . . . .
F5A2 F 0.54471(17) 0.51842(10) 0.91986(16) 0.0390(5) Uani 1 1 d . . . . .
F5A3 F 0.42876(18) 0.57550(11) 0.93381(16) 0.0424(6) Uani 1 1 d . . . . .
O1B O 0.16479(17) 0.49187(10) 0.75637(15) 0.0238(4) Uani 1 1 d . . . . .
O2B O 0.18602(15) 0.59571(9) 0.65630(15) 0.0212(4) Uani 1 1 d . . . . .
C1B C 0.1065(2) 0.52329(14) 0.7905(2) 0.0227(6) Uani 1 1 d . . . . .
C2B C 0.0797(2) 0.57929(13) 0.7679(2) 0.0221(6) Uani 1 1 d . . . . .
H2B H 0.032563 0.597288 0.799011 0.027 Uiso 1 1 calc R U . . .
C3B C 0.1196(2) 0.60977(12) 0.7011(2) 0.0189(5) Uani 1 1 d . . . . .
C4B C 0.0586(3) 0.49417(15) 0.8662(3) 0.0332(8) Uani 1 1 d . . . . .
C5B C 0.0804(2) 0.66981(13) 0.6776(2) 0.0225(6) Uani 1 1 d . . . . .
F4B1 F 0.1182(4) 0.4632(2) 0.9182(3) 0.0455(11) Uiso 0.6 1 d . . P D 1
F4B2 F 0.0179(3) 0.52944(18) 0.9174(3) 0.0357(9) Uiso 0.6 1 d . . P D 1
F4B3 F -0.0055(3) 0.4546(2) 0.8254(3) 0.0402(11) Uiso 0.6 1 d . . P D 1
F4B4 F -0.0147(4) 0.5278(2) 0.8952(4) 0.0240(10) Uiso 0.4 1 d . . P D 2
F4B5 F 0.1257(6) 0.4834(4) 0.9348(6) 0.0512(19) Uiso 0.4 1 d . . P D 2
F4B6 F 0.0199(4) 0.4470(3) 0.8468(4) 0.0297(12) Uiso 0.4 1 d . . P D 2
F5B1 F 0.14395(17) 0.70941(9) 0.7025(2) 0.0458(6) Uani 1 1 d . . . . .
F5B2 F 0.00321(16) 0.68255(10) 0.71694(16) 0.0357(5) Uani 1 1 d . . . . .
F5B3 F 0.05889(19) 0.67467(10) 0.59035(15) 0.0399(6) Uani 1 1 d . . . . .
O1C O 0.17329(15) 0.48584(9) 0.55777(15) 0.0211(4) Uani 1 1 d . . . . .
O2C O 0.34701(16) 0.54756(10) 0.57612(15) 0.0226(4) Uani 1 1 d . . . . .
C1C C 0.1974(2) 0.48146(12) 0.4801(2) 0.0195(5) Uani 1 1 d . . . . .
C2C C 0.2778(2) 0.50225(13) 0.4444(2) 0.0220(6) Uani 1 1 d . . . . .
H2C H 0.287148 0.494165 0.384103 0.026 Uiso 1 1 calc R U . . .
C3C C 0.3450(2) 0.53469(13) 0.4954(2) 0.0196(5) Uani 1 1 d . . . . .
C4C C 0.1262(2) 0.44790(14) 0.4179(2) 0.0237(6) Uani 1 1 d . . . . .
C5C C 0.4253(2) 0.56188(15) 0.4481(2) 0.0247(6) Uani 1 1 d . . . . .
F4C1 F 0.12041(18) 0.39363(9) 0.44538(15) 0.0384(5) Uani 1 1 d . . . . .
F4C2 F 0.14733(16) 0.44580(10) 0.33370(14) 0.0354(5) Uani 1 1 d . . . . .
F4C3 F 0.04017(15) 0.47047(11) 0.41834(17) 0.0408(6) Uani 1 1 d . . . . .
F5C1 F 0.50673(13) 0.56095(9) 0.49859(14) 0.0262(4) Uani 1 1 d . . . . .
F5C2 F 0.40563(15) 0.61749(10) 0.43091(17) 0.0385(5) Uani 1 1 d . . . . .
F5C3 F 0.43960(16) 0.53633(11) 0.37158(14) 0.0370(5) 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
Y1 O1E 2.328(2) . ?
Y1 O2D 2.333(2) . ?
Y1 O1D 2.345(2) . ?
Y1 O2E 2.375(2) . ?
Y1 O6 2.390(2) . ?
Y1 O4 2.428(2) . ?
Y1 O5 2.450(2) . ?
Y1 O7 2.475(2) . ?
Y1 O3 2.493(2) . ?
O1D C1D 1.245(4) . ?
O2D C3D 1.260(4) . ?
C1D C2D 1.404(5) . ?
C1D C4D 1.541(5) . ?
C2D C3D 1.388(5) . ?
C3D C5D 1.534(5) . ?
C4D F4D1 1.327(4) . ?
C4D F4D3 1.328(4) . ?
C4D F4D2 1.332(4) . ?
C5D F5D8 1.232(11) . ?
C5D F5D9 1.297(12) . ?
C5D F5D5 1.297(12) . ?
C5D F5D4 1.327(10) . ?
C5D F5D6 1.328(12) . ?
C5D F5D1 1.335(6) . ?
C5D F5D2 1.374(7) . ?
C5D F5D3 1.399(8) . ?
C5D F5D7 1.404(11) . ?
O1E C1E 1.256(4) . ?
O2E C3E 1.252(4) . ?
C1E C2E 1.387(5) . ?
C1E C4E 1.532(5) . ?
C2E C3E 1.397(5) . ?
C3E C5E 1.532(5) . ?
C4E F4E6 1.247(7) . ?
C4E F4E2 1.317(6) . ?
C4E F4E1 1.329(6) . ?
C4E F4E4 1.376(8) . ?
C4E F4E5 1.386(7) . ?
C4E F4E3 1.418(6) . ?
C5E F5E3 1.328(4) . ?
C5E F5E1 1.330(4) . ?
C5E F5E2 1.332(4) . ?
O3 C7 1.435(4) . ?
O3 C6 1.444(4) . ?
O4 C8 1.438(4) . ?
O4 C9 1.454(4) . ?
O5 C11 1.430(4) . ?
O5 C10 1.445(4) . ?
O6 C13 1.443(4) . ?
O6 C12 1.444(4) . ?
O7 C15 1.440(4) . ?
O7 C14 1.443(4) . ?
C7 C8 1.496(5) . ?
C9 C10 1.493(5) . ?
C11 C12 1.502(4) . ?
C13 C14 1.489(5) . ?
Co1 O2A 2.058(2) . ?
Co1 O1A 2.058(2) . ?
Co1 O1B 2.060(2) . ?
Co1 O2B 2.064(2) . ?
Co1 O1C 2.071(2) . ?
Co1 O2C 2.071(2) . ?
O1A C1A 1.253(4) . ?
O2A C3A 1.253(4) . ?
C1A C2A 1.393(5) . ?
C1A C4A 1.534(4) . ?
C2A C3A 1.392(5) . ?
C3A C5A 1.543(5) . ?
C4A F4A5 1.230(10) . ?
C4A F4A1 1.309(6) . ?
C4A F4A7 1.319(9) . ?
C4A F4A9 1.331(11) . ?
C4A F4A6 1.339(10) . ?
C4A F4A2 1.357(6) . ?
C4A F4A3 1.354(7) . ?
C4A F4A8 1.373(12) . ?
C4A F4A4 1.443(9) . ?
C5A F5A2 1.328(4) . ?
C5A F5A3 1.330(4) . ?
C5A F5A1 1.341(4) . ?
O1B C1B 1.251(4) . ?
O2B C3B 1.254(4) . ?
C1B C2B 1.394(4) . ?
C1B C4B 1.538(5) . ?
C2B C3B 1.394(4) . ?
C3B C5B 1.537(4) . ?
C4B F4B6 1.254(7) . ?
C4B F4B2 1.298(5) . ?
C4B F4B1 1.321(6) . ?
C4B F4B5 1.372(9) . ?
C4B F4B3 1.402(6) . ?
C4B F4B4 1.406(6) . ?
C5B F5B1 1.325(4) . ?
C5B F5B3 1.329(4) . ?
C5B F5B2 1.328(4) . ?
O1C C1C 1.254(4) . ?
O2C C3C 1.252(4) . ?
C1C C2C 1.395(4) . ?
C1C C4C 1.535(4) . ?
C2C C3C 1.397(4) . ?
C3C C5C 1.537(4) . ?
C4C F4C2 1.331(4) . ?
C4C F4C3 1.336(4) . ?
C4C F4C1 1.335(4) . ?
C5C F5C3 1.330(4) . ?
C5C F5C1 1.333(4) . ?
C5C F5C2 1.346(4) . ?

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
O1E Y1 O2D 110.59(8) . . ?
O1E Y1 O1D 139.62(8) . . ?
O2D Y1 O1D 71.69(8) . . ?
O1E Y1 O2E 70.62(8) . . ?
O2D Y1 O2E 139.60(8) . . ?
O1D Y1 O2E 134.69(8) . . ?
O1E Y1 O6 134.12(8) . . ?
O2D Y1 O6 77.53(8) . . ?
O1D Y1 O6 86.25(8) . . ?
O2E Y1 O6 75.38(8) . . ?
O1E Y1 O4 78.26(8) . . ?
O2D Y1 O4 130.29(8) . . ?
O1D Y1 O4 72.12(8) . . ?
O2E Y1 O4 90.03(8) . . ?
O6 Y1 O4 132.03(7) . . ?
O1E Y1 O5 123.05(8) . . ?
O2D Y1 O5 126.36(8) . . ?
O1D Y1 O5 67.69(8) . . ?
O2E Y1 O5 67.00(8) . . ?
O6 Y1 O5 66.47(7) . . ?
O4 Y1 O5 65.75(7) . . ?
O1E Y1 O7 73.90(8) . . ?
O2D Y1 O7 69.79(7) . . ?
O1D Y1 O7 136.72(8) . . ?
O2E Y1 O7 72.24(7) . . ?
O6 Y1 O7 66.92(7) . . ?
O4 Y1 O7 150.66(8) . . ?
O5 Y1 O7 123.73(7) . . ?
O1E Y1 O3 67.74(8) . . ?
O2D Y1 O3 71.75(8) . . ?
O1D Y1 O3 75.67(8) . . ?
O2E Y1 O3 135.56(8) . . ?
O6 Y1 O3 147.92(8) . . ?
O4 Y1 O3 67.12(8) . . ?
O5 Y1 O3 126.82(8) . . ?
O7 Y1 O3 109.42(8) . . ?
C1D O1D Y1 136.7(2) . . ?
C3D O2D Y1 136.2(2) . . ?
O1D C1D C2D 127.4(3) . . ?
O1D C1D C4D 115.2(3) . . ?
C2D C1D C4D 117.4(3) . . ?
C3D C2D C1D 119.5(3) . . ?
O2D C3D C2D 128.2(3) . . ?
O2D C3D C5D 113.9(3) . . ?
C2D C3D C5D 117.9(3) . . ?
F4D1 C4D F4D3 108.8(3) . . ?
F4D1 C4D F4D2 106.7(3) . . ?
F4D3 C4D F4D2 106.8(3) . . ?
F4D1 C4D C1D 111.8(3) . . ?
F4D3 C4D C1D 111.6(3) . . ?
F4D2 C4D C1D 110.9(3) . . ?
F5D8 C5D F5D9 104.7(7) . . ?
F5D5 C5D F5D4 110.1(7) . . ?
F5D5 C5D F5D6 104.0(8) . . ?
F5D4 C5D F5D6 101.1(7) . . ?
F5D1 C5D F5D2 108.7(5) . . ?
F5D1 C5D F5D3 109.2(5) . . ?
F5D2 C5D F5D3 108.9(5) . . ?
F5D8 C5D F5D7 109.6(7) . . ?
F5D9 C5D F5D7 103.4(7) . . ?
F5D8 C5D C3D 112.6(6) . . ?
F5D9 C5D C3D 114.6(6) . . ?
F5D5 C5D C3D 112.4(6) . . ?
F5D4 C5D C3D 114.2(5) . . ?
F5D6 C5D C3D 114.0(6) . . ?
F5D1 C5D C3D 113.7(4) . . ?
F5D2 C5D C3D 108.9(4) . . ?
F5D3 C5D C3D 107.4(4) . . ?
F5D7 C5D C3D 111.4(5) . . ?
C1E O1E Y1 137.7(2) . . ?
C3E O2E Y1 136.8(2) . . ?
O1E C1E C2E 128.4(3) . . ?
O1E C1E C4E 113.4(3) . . ?
C2E C1E C4E 118.2(3) . . ?
C1E C2E C3E 118.8(3) . . ?
O2E C3E C2E 127.4(3) . . ?
O2E C3E C5E 113.6(3) . . ?
C2E C3E C5E 119.0(3) . . ?
F4E2 C4E F4E1 106.0(4) . . ?
F4E6 C4E F4E4 108.2(5) . . ?
F4E6 C4E F4E5 103.8(5) . . ?
F4E4 C4E F4E5 109.6(5) . . ?
F4E2 C4E F4E3 110.6(4) . . ?
F4E1 C4E F4E3 105.5(4) . . ?
F4E6 C4E C1E 116.3(4) . . ?
F4E2 C4E C1E 115.7(4) . . ?
F4E1 C4E C1E 112.4(3) . . ?
F4E4 C4E C1E 108.1(4) . . ?
F4E5 C4E C1E 110.7(4) . . ?
F4E3 C4E C1E 106.3(3) . . ?
F5E3 C5E F5E1 107.2(3) . . ?
F5E3 C5E F5E2 107.7(3) . . ?
F5E1 C5E F5E2 107.1(3) . . ?
F5E3 C5E C3E 113.6(3) . . ?
F5E1 C5E C3E 110.7(3) . . ?
F5E2 C5E C3E 110.3(3) . . ?
C7 O3 C6 110.4(3) . . ?
C7 O3 Y1 114.07(19) . . ?
C6 O3 Y1 120.3(2) . . ?
C8 O4 C9 109.9(3) . . ?
C8 O4 Y1 116.74(19) . . ?
C9 O4 Y1 119.01(18) . . ?
C11 O5 C10 115.0(2) . . ?
C11 O5 Y1 117.83(18) . . ?
C10 O5 Y1 114.92(18) . . ?
C13 O6 C12 114.8(2) . . ?
C13 O6 Y1 117.29(17) . . ?
C12 O6 Y1 117.32(17) . . ?
C15 O7 C14 110.3(2) . . ?
C15 O7 Y1 120.24(19) . . ?
C14 O7 Y1 114.48(17) . . ?
O3 C7 C8 108.2(3) . . ?
O4 C8 C7 108.6(3) . . ?
O4 C9 C10 108.0(3) . . ?
O5 C10 C9 105.6(3) . . ?
O5 C11 C12 105.0(3) . . ?
O6 C12 C11 109.4(2) . . ?
O6 C13 C14 106.3(2) . . ?
O7 C14 C13 108.2(2) . . ?
O2A Co1 O1A 88.57(9) . . ?
O2A Co1 O1B 91.68(10) . . ?
O1A Co1 O1B 88.53(9) . . ?
O2A Co1 O2B 93.63(9) . . ?
O1A Co1 O2B 176.50(9) . . ?
O1B Co1 O2B 88.67(9) . . ?
O2A Co1 O1C 172.78(9) . . ?
O1A Co1 O1C 86.70(9) . . ?
O1B Co1 O1C 93.64(9) . . ?
O2B Co1 O1C 91.37(9) . . ?
O2A Co1 O2C 87.57(9) . . ?
O1A Co1 O2C 93.30(9) . . ?
O1B Co1 O2C 178.00(9) . . ?
O2B Co1 O2C 89.52(9) . . ?
O1C Co1 O2C 87.27(9) . . ?
C1A O1A Co1 125.8(2) . . ?
C3A O2A Co1 125.4(2) . . ?
O1A C1A C2A 128.9(3) . . ?
O1A C1A C4A 113.5(3) . . ?
C2A C1A C4A 117.6(3) . . ?
C3A C2A C1A 121.9(3) . . ?
O2A C3A C2A 129.3(3) . . ?
O2A C3A C5A 113.0(3) . . ?
C2A C3A C5A 117.7(3) . . ?
F4A7 C4A F4A9 104.1(7) . . ?
F4A5 C4A F4A6 107.0(7) . . ?
F4A1 C4A F4A2 108.7(4) . . ?
F4A1 C4A F4A3 109.1(5) . . ?
F4A2 C4A F4A3 106.3(5) . . ?
F4A7 C4A F4A8 109.6(7) . . ?
F4A9 C4A F4A8 108.9(8) . . ?
F4A5 C4A F4A4 107.6(6) . . ?
F4A6 C4A F4A4 100.5(6) . . ?
F4A5 C4A C1A 118.9(5) . . ?
F4A1 C4A C1A 109.9(3) . . ?
F4A7 C4A C1A 112.1(5) . . ?
F4A9 C4A C1A 109.1(5) . . ?
F4A6 C4A C1A 114.4(5) . . ?
F4A2 C4A C1A 112.6(3) . . ?
F4A3 C4A C1A 110.2(4) . . ?
F4A8 C4A C1A 112.6(6) . . ?
F4A4 C4A C1A 106.6(4) . . ?
F5A2 C5A F5A3 107.8(3) . . ?
F5A2 C5A F5A1 107.1(3) . . ?
F5A3 C5A F5A1 107.2(3) . . ?
F5A2 C5A C3A 114.0(3) . . ?
F5A3 C5A C3A 111.2(3) . . ?
F5A1 C5A C3A 109.3(3) . . ?
C1B O1B Co1 125.4(2) . . ?
C3B O2B Co1 125.1(2) . . ?
O1B C1B C2B 128.7(3) . . ?
O1B C1B C4B 113.6(3) . . ?
C2B C1B C4B 117.7(3) . . ?
C1B C2B C3B 122.2(3) . . ?
O2B C3B C2B 129.1(3) . . ?
O2B C3B C5B 113.0(3) . . ?
C2B C3B C5B 117.9(3) . . ?
F4B2 C4B F4B1 106.9(4) . . ?
F4B6 C4B F4B5 106.2(5) . . ?
F4B2 C4B F4B3 111.7(4) . . ?
F4B1 C4B F4B3 105.2(4) . . ?
F4B6 C4B F4B4 103.7(4) . . ?
F4B5 C4B F4B4 110.9(5) . . ?
F4B6 C4B C1B 115.4(4) . . ?
F4B2 C4B C1B 114.3(3) . . ?
F4B1 C4B C1B 112.2(4) . . ?
F4B5 C4B C1B 108.4(4) . . ?
F4B3 C4B C1B 106.2(3) . . ?
F4B4 C4B C1B 112.0(3) . . ?
F5B1 C5B F5B3 108.3(3) . . ?
F5B1 C5B F5B2 106.9(3) . . ?
F5B3 C5B F5B2 107.1(3) . . ?
F5B1 C5B C3B 110.0(3) . . ?
F5B3 C5B C3B 110.7(3) . . ?
F5B2 C5B C3B 113.5(3) . . ?
C1C O1C Co1 125.6(2) . . ?
C3C O2C Co1 126.4(2) . . ?
O1C C1C C2C 129.3(3) . . ?
O1C C1C C4C 113.1(3) . . ?
C2C C1C C4C 117.7(3) . . ?
C3C C2C C1C 121.6(3) . . ?
O2C C3C C2C 128.4(3) . . ?
O2C C3C C5C 113.4(3) . . ?
C2C C3C C5C 118.1(3) . . ?
F4C2 C4C F4C3 107.6(3) . . ?
F4C2 C4C F4C1 106.6(3) . . ?
F4C3 C4C F4C1 106.8(3) . . ?
F4C2 C4C C1C 114.1(3) . . ?
F4C3 C4C C1C 110.9(3) . . ?
F4C1 C4C C1C 110.4(3) . . ?
F5C3 C5C F5C1 107.3(3) . . ?
F5C3 C5C F5C2 108.0(3) . . ?
F5C1 C5C F5C2 106.4(3) . . ?
F5C3 C5C C3C 113.3(3) . . ?
F5C1 C5C C3C 112.1(3) . . ?
F5C2 C5C C3C 109.6(3) . . ?

_refine_diff_density_max         1.182
_refine_diff_density_min         -1.191
_refine_diff_density_rms         0.116



