#------------------------------------------------------------------------------
#$Date: 2016-03-23 00:26:11 +0200 (Wed, 23 Mar 2016) $
#$Revision: 179110 $
#$URL: svn://www.crystallography.net/cod/cif/4/30/72/4307273.cif $
#------------------------------------------------------------------------------
#
# This file is available in the Crystallography Open Database (COD),
# http://www.crystallography.net/
#
# All data on this site have been placed in the public domain by the
# contributors.
#
data_4307273
loop_
_publ_author_name
'Xiao-Yan Chen'
'Yann Bretonnière'
'Jacques Pécaut'
'Daniel Imbert'
'Jean-Claude Bünzli'
'Marinella Mazzanti'
_publ_section_title
;
Selective Self-Assembly of Hexameric Homo- and Heteropolymetallic
Lanthanide Wheels: Synthesis, Structure, and Photophysical Studies
;
_journal_name_full               'Inorganic Chemistry'
_journal_page_first              625
_journal_page_last               637
_journal_paper_doi               10.1021/ic061806o
_journal_volume                  46
_journal_year                    2007
_chemical_formula_sum            'C218 H156 Eu6 F27 Lu N42 O55 S9'
_chemical_formula_weight         6132.12
_chemical_name_systematic
; 
 ? 
;
_space_group_IT_number           176
_symmetry_cell_setting           hexagonal
_symmetry_space_group_name_Hall  '-P 6c'
_symmetry_space_group_name_H-M   'P 63/m'
_atom_sites_solution_hydrogens   geom
_atom_sites_solution_primary     direct
_atom_sites_solution_secondary   difmap
_audit_creation_method           SHELXL-97
_cell_angle_alpha                90.00
_cell_angle_beta                 90.00
_cell_angle_gamma                120.00
_cell_formula_units_Z            2
_cell_length_a                   22.368(4)
_cell_length_b                   22.368(4)
_cell_length_c                   30.072(11)
_cell_measurement_temperature    193(2)
_cell_volume                     13030(6)
_computing_cell_refinement       'Bruker SMART'
_computing_data_collection       'Bruker SMART'
_computing_data_reduction        'Bruker SAINT'
_computing_molecular_graphics    'Bruker SHELXTL'
_computing_publication_material  'Bruker SHELXTL'
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 1997)'
_computing_structure_solution    'SHELXS-97 (Sheldrick, 1990)'
_diffrn_ambient_temperature      193(2)
_diffrn_measured_fraction_theta_full 0.992
_diffrn_measured_fraction_theta_max 0.992
_diffrn_measurement_device_type  'CCD area detector'
_diffrn_measurement_method       'phi and omega scans'
_diffrn_radiation_monochromator  graphite
_diffrn_radiation_source         'fine-focus sealed tube'
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_reflns_av_R_equivalents  0.0392
_diffrn_reflns_av_sigmaI/netI    0.0306
_diffrn_reflns_limit_h_max       18
_diffrn_reflns_limit_h_min       -24
_diffrn_reflns_limit_k_max       24
_diffrn_reflns_limit_k_min       -8
_diffrn_reflns_limit_l_max       33
_diffrn_reflns_limit_l_min       -26
_diffrn_reflns_number            32475
_diffrn_reflns_theta_full        23.26
_diffrn_reflns_theta_max         23.26
_diffrn_reflns_theta_min         1.82
_exptl_absorpt_coefficient_mu    1.968
_exptl_absorpt_correction_type   none
_exptl_crystal_density_diffrn    1.563
_exptl_crystal_density_meas      0
_exptl_crystal_density_method    'not measured'
_exptl_crystal_F_000             6068
_exptl_crystal_size_max          0.08
_exptl_crystal_size_mid          0.08
_exptl_crystal_size_min          0.08
_refine_diff_density_max         2.168
_refine_diff_density_min         -1.054
_refine_diff_density_rms         0.171
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.301
_refine_ls_hydrogen_treatment    mixed
_refine_ls_matrix_type           full
_refine_ls_number_parameters     585
_refine_ls_number_reflns         6347
_refine_ls_number_restraints     18
_refine_ls_restrained_S_all      1.299
_refine_ls_R_factor_all          0.0858
_refine_ls_R_factor_gt           0.0748
_refine_ls_shift/su_max          0.090
_refine_ls_shift/su_mean         0.004
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'calc w=1/[σ²(Fo²)+(0.0246P)²+282.1506P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1757
_refine_ls_wR_factor_ref         0.1809
_reflns_number_gt                5391
_reflns_number_total             6347
_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            ic061806osi20060922_012014_3.cif
_cod_data_source_block
struc,[Lu(EuL2)6](OTf)9.6CH3CN2H2O.Et2O.MeOH,_10
_cod_depositor_comments
;
The following automatic conversions were performed:
'_symmetry_cell_setting' value 'Hexagonal' changed to 'hexagonal'
according to '/home/saulius/struct/CIF-dictionaries/cif_core.dic'
dictionary named 'cif_core.dic' version 2.4.1 from 2010-06-29.

Automatic conversion script
Id: cif_fix_enum 1527 2010-12-29 10:47:43Z saulius 
;
_cod_original_cell_volume        13031(6)
_cod_database_code               4307273
loop_
_symmetry_equiv_pos_as_xyz
'x, y, z'
'-y, x-y, z'
'-x+y, -x, z'
'-x, -y, z+1/2'
'y, -x+y, z+1/2'
'x-y, x, z+1/2'
'-x, -y, -z'
'y, -x+y, -z'
'x-y, x, -z'
'x, y, -z-1/2'
'-y, x-y, -z-1/2'
'-x+y, -x, -z-1/2'
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
Lu Lu 0.0000 0.0000 0.5000 0.0229(2) Uani 1 6 d S . .
Eu Eu 0.291619(17) 0.036602(18) 0.517362(14) 0.02320(11) Uani 1 1 d . . .
O11 O 0.1781(2) 0.0243(3) 0.51008(19) 0.0305(16) Uani 1 1 d . . .
O12 O 0.0815(2) 0.0076(3) 0.5436(2) 0.0303(15) Uani 1 1 d . . .
O21 O 0.3093(3) 0.1473(2) 0.4968(2) 0.0307(15) Uani 1 1 d . . .
O22 O 0.2766(2) 0.2059(2) 0.4523(2) 0.0289(15) Uani 1 1 d . . .
N1 N 0.4215(3) 0.1055(3) 0.4915(2) 0.0288(19) Uani 1 1 d . . .
N2 N 0.3803(3) 0.1108(3) 0.5771(2) 0.0298(19) Uani 1 1 d . . .
N3 N 0.2480(3) 0.0645(3) 0.5865(2) 0.0268(18) Uani 1 1 d . . .
N21 N 0.3409(3) -0.0428(3) 0.5502(3) 0.0294(19) Uani 1 1 d . . .
N22 N 0.2929(3) -0.0526(3) 0.4639(2) 0.0229(17) Uani 1 1 d . . .
N23 N 0.2757(3) 0.0504(3) 0.4361(2) 0.0258(17) Uani 1 1 d . . .
C1 C 0.4401(4) 0.1119(4) 0.4498(3) 0.033(2) Uani 1 1 d . . .
H1A H 0.4065 0.0834 0.4284 0.039 Uiso 1 1 calc R . .
C2 C 0.5060(4) 0.1579(4) 0.4351(4) 0.042(3) Uani 1 1 d . . .
H2A H 0.5167 0.1625 0.4043 0.050 Uiso 1 1 calc R . .
C3 C 0.5561(4) 0.1972(4) 0.4662(4) 0.041(3) Uani 1 1 d . . .
H3A H 0.6020 0.2290 0.4573 0.049 Uiso 1 1 calc R . .
C4 C 0.5375(4) 0.1890(4) 0.5099(3) 0.039(3) Uani 1 1 d . . .
H4A H 0.5712 0.2147 0.5319 0.046 Uiso 1 1 calc R . .
C5 C 0.4693(4) 0.1431(4) 0.5228(3) 0.029(2) Uani 1 1 d . . .
C6 C 0.4480(4) 0.1362(3) 0.5693(3) 0.028(2) Uani 1 1 d . . .
C7 C 0.4944(4) 0.1555(4) 0.6046(3) 0.039(3) Uani 1 1 d . . .
H7A H 0.5418 0.1718 0.5989 0.047 Uiso 1 1 calc R . .
C8 C 0.4718(4) 0.1511(4) 0.6472(3) 0.043(3) Uani 1 1 d . . .
H8A H 0.5036 0.1636 0.6711 0.051 Uiso 1 1 calc R . .
C9 C 0.4039(4) 0.1290(4) 0.6558(3) 0.036(2) Uani 1 1 d . . .
H9A H 0.3877 0.1271 0.6853 0.043 Uiso 1 1 calc R . .
C10 C 0.3593(4) 0.1092(4) 0.6190(3) 0.030(2) Uani 1 1 d . . .
C11 C 0.2842(4) 0.0858(4) 0.6241(3) 0.037(3) Uani 1 1 d . . .
C12 C 0.2545(5) 0.0876(6) 0.6642(3) 0.063(4) Uani 1 1 d . . .
H12A H 0.2809 0.1017 0.6908 0.075 Uiso 1 1 calc R . .
C13 C 0.1851(5) 0.0682(8) 0.6644(4) 0.083(5) Uani 1 1 d . . .
H13A H 0.1632 0.0688 0.6913 0.099 Uiso 1 1 calc R . .
C14 C 0.1490(5) 0.0484(6) 0.6260(4) 0.058(3) Uani 1 1 d . . .
H14A H 0.1017 0.0361 0.6259 0.069 Uiso 1 1 calc R . .
C15 C 0.1797(4) 0.0458(4) 0.5873(3) 0.034(2) Uani 1 1 d . . .
C16 C 0.1446(4) 0.0245(4) 0.5431(3) 0.027(2) Uani 1 1 d . . .
C21 C 0.3530(4) -0.0438(4) 0.5931(3) 0.038(2) Uani 1 1 d . . .
H21A H 0.3696 -0.0020 0.6093 0.046 Uiso 1 1 calc R . .
C22 C 0.3429(5) -0.1015(5) 0.6161(4) 0.054(3) Uani 1 1 d . . .
H22A H 0.3539 -0.0990 0.6468 0.065 Uiso 1 1 calc R . .
C23 C 0.3168(5) -0.1623(5) 0.5933(4) 0.059(3) Uani 1 1 d . . .
H23A H 0.3064 -0.2036 0.6085 0.071 Uiso 1 1 calc R . .
C24 C 0.3056(4) -0.1633(4) 0.5489(3) 0.043(3) Uani 1 1 d . . .
H24A H 0.2896 -0.2049 0.5326 0.052 Uiso 1 1 calc R . .
C25 C 0.3175(4) -0.1036(4) 0.5276(3) 0.033(2) Uani 1 1 d . . .
C26 C 0.3045(3) -0.1020(4) 0.4796(3) 0.029(2) Uani 1 1 d . . .
C27 C 0.3034(4) -0.1521(4) 0.4517(3) 0.032(2) Uani 1 1 d . . .
H27A H 0.3129 -0.1859 0.4635 0.039 Uiso 1 1 calc R . .
C28 C 0.2888(4) -0.1532(4) 0.4077(3) 0.037(3) Uani 1 1 d . . .
H28A H 0.2880 -0.1875 0.3887 0.045 Uiso 1 1 calc R . .
C29 C 0.2749(4) -0.1031(4) 0.3907(3) 0.040(3) Uani 1 1 d . . .
H29A H 0.2639 -0.1024 0.3603 0.048 Uiso 1 1 calc R . .
C30 C 0.2782(4) -0.0537(4) 0.4212(3) 0.032(2) Uani 1 1 d . . .
C31 C 0.2648(4) 0.0021(4) 0.4050(3) 0.031(2) Uani 1 1 d . . .
C32 C 0.2454(5) 0.0070(5) 0.3621(4) 0.054(3) Uani 1 1 d . . .
H32A H 0.2381 -0.0271 0.3406 0.065 Uiso 1 1 calc R . .
C33 C 0.2368(6) 0.0624(6) 0.3508(4) 0.075(4) Uani 1 1 d . . .
H33A H 0.2221 0.0660 0.3218 0.090 Uiso 1 1 calc R . .
C34 C 0.2499(5) 0.1123(5) 0.3825(4) 0.054(3) Uani 1 1 d . . .
H34A H 0.2460 0.1515 0.3752 0.065 Uiso 1 1 calc R . .
C35 C 0.2687(4) 0.1045(4) 0.4247(3) 0.028(2) Uani 1 1 d . . .
C36 C 0.2861(4) 0.1562(4) 0.4613(3) 0.025(2) Uani 1 1 d . . .
S1 S 0.3333 0.6667 0.40193(15) 0.0347(11) Uani 1 3 d S . .
F1S F 0.3807(3) 0.7269(3) 0.3251(2) 0.073(2) Uani 1 1 d . . .
O1S O 0.3290(3) 0.7268(3) 0.4134(3) 0.0447(19) Uani 1 1 d . . .
C1S C 0.3333 0.6667 0.3419(7) 0.049(5) Uani 1 3 d S . .
S2 S 0.6174(3) 0.7319(4) 0.2500 0.093(2) Uani 1 2 d S . .
F1S2 F 0.5247(10) 0.7709(12) 0.2500 0.168(8) Uani 0.75 2 d SP . .
F2S2 F 0.5042(7) 0.7048(10) 0.2924(6) 0.187(8) Uani 0.75 1 d P . .
F3S2 F 0.4836(11) 0.6458(14) 0.2500 0.201(14) Uani 0.75 2 d SP . .
O1S2 O 0.6393(8) 0.7479(13) 0.2895(4) 0.213(9) Uani 0.75 1 d P . .
O2S2 O 0.6096(15) 0.6667(14) 0.2500 0.36(4) Uani 0.75 2 d SP . .
O3S2 O 0.654(2) 0.7873(18) 0.2500 0.66(9) Uani 0.75 2 d SP . .
C2S C 0.5290(14) 0.7112(15) 0.2500 0.125(11) Uani 1 2 d S . .
S3 S 0.6591(4) 0.0112(4) 0.2500 0.135(3) Uani 1 2 d S . .
F1S3 F 0.7732(4) 0.0648(6) 0.2115(2) 0.408(16) Uani 1 1 d D . .
F2S3 F 0.7476(4) 0.1322(3) 0.2500 0.53(4) Uani 1 2 d SD . .
O2S3 O 0.6316(13) 0.0173(9) 0.2083(5) 0.303(12) Uani 1 1 d . . .
O1S3 O 0.6673(12) -0.0528(9) 0.2500 0.181(9) Uani 1 2 d S . .
C3S C 0.7520(6) 0.0756(4) 0.2500 0.23(2) Uiso 1 2 d SD . .
S4 S 0.95274(19) -0.0225(2) 0.76451(12) 0.168(17) Uiso 0.17 1 d PD A -1
O1S4 O 0.9123(3) 0.0062(5) 0.7480(9) 0.076(11) Uiso 0.17 1 d PD A -1
O2S4 O 0.9509(8) -0.0715(5) 0.7329(5) 0.8(3) Uiso 0.17 1 d PD A -1
O3S4 O 0.9773(7) -0.0076(18) 0.8095(2) 0.020(8) Uiso 0.17 1 d PD A -1
C4S C 1.03012(19) 0.03786(18) 0.73570(13) 0.06(2) Uiso 0.17 1 d PD A -1
F1S4 F 1.0236(7) 0.0318(6) 0.69214(15) 0.59(14) Uiso 0.17 1 d PD A -1
F2S4 F 1.0713(3) 0.0147(3) 0.7483(5) 0.30(5) Uiso 0.17 1 d PD A -1
F3S4 F 1.0604(7) 0.1040(2) 0.7456(4) 0.18(2) Uiso 0.17 1 d PD A -1
O201 O 0.6667 0.3333 0.3620(6) 0.092(5) Uiso 1 3 d S . .
C201 C 0.672(4) 0.394(3) 0.333(3) 0.18(3) Uiso 0.33 1 d P . .
H20A H 0.6985 0.3967 0.3063 0.221 Uiso 0.33 1 calc PR . .
H20B H 0.7014 0.4371 0.3503 0.221 Uiso 0.33 1 calc PR . .
C202 C 0.598(4) 0.402(4) 0.314(3) 0.21(4) Uiso 0.33 1 d P . .
H20C H 0.5901 0.3894 0.2820 0.312 Uiso 0.33 1 calc PR . .
H20D H 0.6082 0.4495 0.3175 0.312 Uiso 0.33 1 calc PR . .
H20E H 0.5570 0.3706 0.3308 0.312 Uiso 0.33 1 calc PR . .
C203 C 0.6667 0.3333 0.3984(11) 0.041(8) Uiso 0.50 3 d SP . .
H20F H 0.6955 0.3149 0.4092 0.062 Uiso 0.17 1 calc PR . .
H20G H 0.6193 0.3045 0.4092 0.062 Uiso 0.17 1 calc PR . .
H20H H 0.6851 0.3807 0.4092 0.062 Uiso 0.17 1 calc PR . .
N102 N 0.5305(13) 0.0100(16) 0.82448(16) 0.138(12) Uiso 0.50 1 d PD B 1
C103 C 0.5360(15) 0.0131(16) 0.86261(17) 0.139(15) Uiso 0.50 1 d PD B 1
C104 C 0.5324(12) 0.0239(12) 0.9101(3) 0.075(8) Uiso 0.50 1 d PD B 1
H10A H 0.5214 0.0608 0.9146 0.112 Uiso 0.50 1 calc PR B 1
H10B H 0.5770 0.0372 0.9240 0.112 Uiso 0.50 1 calc PR B 1
H10C H 0.4964 -0.0188 0.9237 0.112 Uiso 0.50 1 calc PR B 1
N103 N 0.5065(7) 0.0048(9) 0.98620(18) 0.052(5) Uiso 0.50 1 d PD . 2
C105 C 0.5220(8) 0.0163(9) 0.94942(19) 0.048(5) Uiso 0.50 1 d PD C 2
C106 C 0.532(2) 0.014(3) 0.9019(4) 0.34(5) Uiso 0.50 1 d PD C 2
H10D H 0.5414 -0.0236 0.8953 0.511 Uiso 0.50 1 calc PR C 2
H10E H 0.5708 0.0578 0.8921 0.511 Uiso 0.50 1 calc PR C 2
H10F H 0.4899 0.0052 0.8862 0.511 Uiso 0.50 1 calc PR C 2
O101 O 0.1923(19) 0.991(2) 0.2500 0.086(12) Uiso 0.33 2 d SP . .
O102 O 0.729(3) 0.631(3) 0.2500 0.132(19) Uiso 0.33 2 d SP . .
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'
S S 0.1246 0.1234 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Eu Eu -0.1578 3.6682 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Lu Lu -0.4720 5.8584 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
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
O12 Lu O12 87.7(2) 2 . ?
O12 Lu O12 92.3(2) 2 7_556 ?
O12 Lu O12 180.000(1) . 7_556 ?
O12 Lu O12 87.7(2) 2 3 ?
O12 Lu O12 87.7(2) . 3 ?
O12 Lu O12 92.3(2) 7_556 3 ?
O12 Lu O12 92.3(2) 2 9_556 ?
O12 Lu O12 92.3(2) . 9_556 ?
O12 Lu O12 87.7(2) 7_556 9_556 ?
O12 Lu O12 180.0(2) 3 9_556 ?
O12 Lu O12 180.000(1) 2 8_556 ?
O12 Lu O12 92.3(2) . 8_556 ?
O12 Lu O12 87.7(2) 7_556 8_556 ?
O12 Lu O12 92.3(2) 3 8_556 ?
O12 Lu O12 87.7(2) 9_556 8_556 ?
O22 Eu O21 141.07(17) 8_556 . ?
O22 Eu O11 69.52(16) 8_556 . ?
O21 Eu O11 73.46(17) . . ?
O22 Eu N3 73.46(19) 8_556 . ?
O21 Eu N3 80.8(2) . . ?
O11 Eu N3 65.6(2) . . ?
O22 Eu N23 113.90(19) 8_556 . ?
O21 Eu N23 65.2(2) . . ?
O11 Eu N23 73.8(2) . . ?
N3 Eu N23 132.9(2) . . ?
O22 Eu N2 110.8(2) 8_556 . ?
O21 Eu N2 80.6(2) . . ?
O11 Eu N2 124.2(2) . . ?
N3 Eu N2 62.0(2) . . ?
N23 Eu N2 135.34(19) . . ?
O22 Eu N22 76.90(18) 8_556 . ?
O21 Eu N22 125.7(2) . . ?
O11 Eu N22 105.81(19) . . ?
N3 Eu N22 150.27(19) . . ?
N23 Eu N22 62.9(2) . . ?
N2 Eu N22 129.2(2) . . ?
O22 Eu N1 143.10(18) 8_556 . ?
O21 Eu N1 75.75(19) . . ?
O11 Eu N1 145.7(2) . . ?
N3 Eu N1 123.5(2) . . ?
N23 Eu N1 79.9(2) . . ?
N2 Eu N1 63.9(2) . . ?
N22 Eu N1 80.41(19) . . ?
O22 Eu N21 65.47(16) 8_556 . ?
O21 Eu N21 150.04(17) . . ?
O11 Eu N21 134.98(17) . . ?
N3 Eu N21 101.4(2) . . ?
N23 Eu N21 124.5(2) . . ?
N2 Eu N21 74.5(2) . . ?
N22 Eu N21 63.4(2) . . ?
N1 Eu N21 78.44(19) . . ?
O22 Eu C36 133.88(16) 8_556 . ?
O21 Eu C36 19.31(19) . . ?
O11 Eu C36 64.76(18) . . ?
N3 Eu C36 92.7(2) . . ?
N23 Eu C36 47.2(2) . . ?
N2 Eu C36 99.6(2) . . ?
N22 Eu C36 109.7(2) . . ?
N1 Eu C36 81.3(2) . . ?
N21 Eu C36 159.40(19) . . ?
O22 Eu C16 63.51(17) 8_556 . ?
O21 Eu C16 77.55(18) . . ?
O11 Eu C16 19.0(2) . . ?
N3 Eu C16 47.2(2) . . ?
N23 Eu C16 92.4(2) . . ?
N2 Eu C16 108.0(2) . . ?
N22 Eu C16 119.08(18) . . ?
N1 Eu C16 153.03(19) . . ?
N21 Eu C16 125.9(2) . . ?
C36 Eu C16 74.7(2) . . ?
C16 O11 Eu 121.7(5) . . ?
C16 O12 Lu 141.3(6) . . ?
C36 O21 Eu 121.4(5) . . ?
C36 O22 Eu 145.0(6) . 9_556 ?
C1 N1 C5 119.3(6) . . ?
C1 N1 Eu 123.0(5) . . ?
C5 N1 Eu 117.2(5) . . ?
C10 N2 C6 118.9(7) . . ?
C10 N2 Eu 119.5(5) . . ?
C6 N2 Eu 119.4(6) . . ?
C11 N3 C15 118.8(8) . . ?
C11 N3 Eu 123.4(6) . . ?
C15 N3 Eu 116.9(5) . . ?
C21 N21 C25 116.7(7) . . ?
C21 N21 Eu 121.4(6) . . ?
C25 N21 Eu 113.1(5) . . ?
C30 N22 C26 118.4(7) . . ?
C30 N22 Eu 121.4(5) . . ?
C26 N22 Eu 120.1(6) . . ?
C35 N23 C31 119.2(8) . . ?
C35 N23 Eu 116.7(5) . . ?
C31 N23 Eu 123.5(5) . . ?
N1 C1 C2 123.4(8) . . ?
C1 C2 C3 118.7(9) . . ?
C4 C3 C2 118.0(7) . . ?
C3 C4 C5 120.8(8) . . ?
N1 C5 C4 119.7(8) . . ?
N1 C5 C6 118.9(6) . . ?
C4 C5 C6 121.4(7) . . ?
N2 C6 C7 120.2(8) . . ?
N2 C6 C5 116.9(7) . . ?
C7 C6 C5 122.9(7) . . ?
C8 C7 C6 120.2(8) . . ?
C7 C8 C9 120.6(9) . . ?
C8 C9 C10 116.8(9) . . ?
N2 C10 C9 123.2(8) . . ?
N2 C10 C11 115.0(7) . . ?
C9 C10 C11 121.8(8) . . ?
N3 C11 C12 122.2(8) . . ?
N3 C11 C10 114.5(8) . . ?
C12 C11 C10 123.3(8) . . ?
C13 C12 C11 118.1(10) . . ?
C14 C13 C12 119.5(11) . . ?
C13 C14 C15 120.7(9) . . ?
C14 C15 N3 120.5(8) . . ?
C14 C15 C16 125.2(8) . . ?
N3 C15 C16 114.3(8) . . ?
O11 C16 O12 126.3(8) . . ?
O11 C16 C15 119.3(7) . . ?
O12 C16 C15 114.4(8) . . ?
O11 C16 Eu 39.3(4) . . ?
O12 C16 Eu 163.2(6) . . ?
C15 C16 Eu 80.7(5) . . ?
N21 C21 C22 124.4(9) . . ?
C23 C22 C21 118.0(10) . . ?
C24 C23 C22 119.6(9) . . ?
C23 C24 C25 119.8(9) . . ?
N21 C25 C24 121.4(9) . . ?
N21 C25 C26 116.4(7) . . ?
C24 C25 C26 122.2(8) . . ?
N22 C26 C27 121.4(9) . . ?
N22 C26 C25 119.0(7) . . ?
C27 C26 C25 119.6(8) . . ?
C28 C27 C26 120.5(8) . . ?
C27 C28 C29 119.1(8) . . ?
C28 C29 C30 116.5(9) . . ?
N22 C30 C29 124.0(8) . . ?
N22 C30 C31 116.8(8) . . ?
C29 C30 C31 119.2(9) . . ?
N23 C31 C32 121.2(8) . . ?
N23 C31 C30 114.1(8) . . ?
C32 C31 C30 124.7(8) . . ?
C31 C32 C33 119.3(9) . . ?
C34 C33 C32 118.9(10) . . ?
C35 C34 C33 119.3(10) . . ?
N23 C35 C34 122.1(8) . . ?
N23 C35 C36 113.9(8) . . ?
C34 C35 C36 123.9(8) . . ?
O21 C36 O22 126.3(7) . . ?
O21 C36 C35 118.3(7) . . ?
O22 C36 C35 115.4(8) . . ?
O21 C36 Eu 39.3(4) . . ?
O22 C36 Eu 159.9(6) . . ?
C35 C36 Eu 81.2(5) . . ?
O1S S1 O1S 114.4(3) . 2_665 ?
O1S S1 O1S 114.4(3) . 3_565 ?
O1S S1 O1S 114.4(3) 2_665 3_565 ?
O1S S1 C1S 103.9(4) . . ?
O1S S1 C1S 103.9(4) 2_665 . ?
O1S S1 C1S 103.9(4) 3_565 . ?
F1S C1S F1S 106.4(10) 2_665 . ?
F1S C1S F1S 106.4(10) 2_665 3_565 ?
F1S C1S F1S 106.4(10) . 3_565 ?
F1S C1S S1 112.4(9) 2_665 . ?
F1S C1S S1 112.4(9) . . ?
F1S C1S S1 112.4(9) 3_565 . ?
O3S2 S2 O1S2 73.4(13) . . ?
O3S2 S2 O1S2 73.4(13) . 10_556 ?
O1S2 S2 O1S2 139.4(16) . 10_556 ?
O3S2 S2 O2S2 146(3) . . ?
O1S2 S2 O2S2 97.2(14) . . ?
O1S2 S2 O2S2 97.2(14) 10_556 . ?
O3S2 S2 C2S 113(3) . . ?
O1S2 S2 C2S 107.1(8) . . ?
O1S2 S2 C2S 107.1(8) 10_556 . ?
O2S2 S2 C2S 100.9(16) . . ?
C2S F2S2 F3S2 47.9(14) . . ?
C2S F3S2 F2S2 51.6(11) . . ?
C2S F3S2 F2S2 51.6(11) . 10_556 ?
F2S2 F3S2 F2S2 95(2) . 10_556 ?
S2 O1S2 O3S2 47.6(12) . . ?
S2 O3S2 O1S2 59.0(15) . . ?
S2 O3S2 O1S2 59.0(15) . 10_556 ?
O1S2 O3S2 O1S2 114(3) . 10_556 ?
F3S2 C2S F2S2 80.5(15) . . ?
F3S2 C2S F2S2 80.5(15) . 10_556 ?
F2S2 C2S F2S2 137(3) . 10_556 ?
F3S2 C2S F1S2 134(3) . . ?
F2S2 C2S F1S2 83.1(19) . . ?
F2S2 C2S F1S2 83.1(19) 10_556 . ?
F3S2 C2S S2 116(3) . . ?
F2S2 C2S S2 111.4(14) . . ?
F2S2 C2S S2 111.4(14) 10_556 . ?
F1S2 C2S S2 110.5(18) . . ?
O2S3 S3 O2S3 122(2) 10_556 . ?
O2S3 S3 O1S3 110.3(10) 10_556 . ?
O2S3 S3 O1S3 110.3(10) . . ?
O2S3 S3 C3S 107.1(9) 10_556 . ?
O2S3 S3 C3S 107.1(9) . . ?
O1S3 S3 C3S 96.6(10) . . ?
F2S3 C3S F1S3 112.5(7) . 10_556 ?
F2S3 C3S F1S3 112.5(7) . . ?
F1S3 C3S F1S3 122.8(13) 10_556 . ?
F2S3 C3S S3 98.9(7) . . ?
F1S3 C3S S3 103.0(6) 10_556 . ?
F1S3 C3S S3 103.0(6) . . ?
O2S4 S4 O1S4 109.2(14) . . ?
O2S4 S4 O3S4 131.6(19) . . ?
O1S4 S4 O3S4 118.4(19) . . ?
O2S4 S4 C4S 84.5(5) . . ?
O1S4 S4 C4S 94.7(6) . . ?
O3S4 S4 C4S 99.6(7) . . ?
F3S4 C4S F1S4 108.0(6) . . ?
F3S4 C4S F2S4 108.0(6) . . ?
F1S4 C4S F2S4 107.9(7) . . ?
F3S4 C4S S4 119.7(7) . . ?
F1S4 C4S S4 112.7(6) . . ?
F2S4 C4S S4 99.5(5) . . ?
C203 O201 C201 123(3) . 3_665 ?
C203 O201 C201 123(3) . 2_655 ?
C201 O201 C201 93(4) 3_665 2_655 ?
C203 O201 C201 123(3) . . ?
C201 O201 C201 93(4) 3_665 . ?
C201 O201 C201 93(4) 2_655 . ?
O201 C201 C202 125(5) . . ?
N102 C103 C104 166(4) . . ?
N103 N103 C105 178(3) 7_657 . ?
N103 C105 C106 167(3) . . ?
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
Lu O12 2.182(5) 2 ?
Lu O12 2.182(5) . ?
Lu O12 2.182(5) 7_556 ?
Lu O12 2.182(5) 3 ?
Lu O12 2.182(5) 9_556 ?
Lu O12 2.182(5) 8_556 ?
Eu O22 2.380(6) 8_556 ?
Eu O21 2.385(5) . ?
Eu O11 2.424(6) . ?
Eu N3 2.506(7) . ?
Eu N23 2.510(7) . ?
Eu N2 2.574(7) . ?
Eu N22 2.574(7) . ?
Eu N1 2.634(6) . ?
Eu N21 2.703(7) . ?
Eu C36 3.215(9) . ?
Eu C16 3.255(8) . ?
O11 C16 1.244(10) . ?
O12 C16 1.265(9) . ?
O21 C36 1.246(10) . ?
O22 C36 1.263(10) . ?
O22 Eu 2.380(6) 9_556 ?
N1 C1 1.309(12) . ?
N1 C5 1.354(10) . ?
N2 C10 1.339(11) . ?
N2 C6 1.346(10) . ?
N3 C11 1.331(11) . ?
N3 C15 1.368(10) . ?
N21 C21 1.322(12) . ?
N21 C25 1.368(10) . ?
N22 C30 1.323(12) . ?
N22 C26 1.340(11) . ?
N23 C35 1.339(11) . ?
N23 C31 1.357(11) . ?
C1 C2 1.382(11) . ?
C2 C3 1.385(13) . ?
C3 C4 1.364(14) . ?
C4 C5 1.402(10) . ?
C5 C6 1.460(13) . ?
C6 C7 1.394(12) . ?
C7 C8 1.362(14) . ?
C8 C9 1.367(13) . ?
C9 C10 1.406(12) . ?
C10 C11 1.496(12) . ?
C11 C12 1.388(14) . ?
C12 C13 1.386(15) . ?
C13 C14 1.350(15) . ?
C14 C15 1.368(14) . ?
C15 C16 1.495(12) . ?
C21 C22 1.379(14) . ?
C22 C23 1.365(14) . ?
C23 C24 1.356(15) . ?
C24 C25 1.383(12) . ?
C25 C26 1.477(13) . ?
C26 C27 1.389(12) . ?
C27 C28 1.363(14) . ?
C28 C29 1.401(13) . ?
C29 C30 1.409(13) . ?
C30 C31 1.501(12) . ?
C31 C32 1.383(14) . ?
C32 C33 1.388(17) . ?
C33 C34 1.383(15) . ?
C34 C35 1.375(14) . ?
C35 C36 1.500(12) . ?
S1 O1S 1.439(6) . ?
S1 O1S 1.439(6) 2_665 ?
S1 O1S 1.439(6) 3_565 ?
S1 C1S 1.80(2) . ?
F1S C1S 1.330(10) . ?
C1S F1S 1.330(10) 2_665 ?
C1S F1S 1.330(10) 3_565 ?
S2 O3S2 1.09(3) . ?
S2 O1S2 1.267(13) . ?
S2 O1S2 1.267(13) 10_556 ?
S2 O2S2 1.38(3) . ?
S2 C2S 1.79(3) . ?
F1S2 C2S 1.38(4) . ?
F2S2 C2S 1.37(2) . ?
F2S2 F3S2 1.73(3) . ?
F3S2 C2S 1.30(3) . ?
F3S2 F2S2 1.73(3) 10_556 ?
O1S2 O3S2 1.42(3) . ?
O3S2 O1S2 1.42(3) 10_556 ?
C2S F2S2 1.37(2) 10_556 ?
S3 O2S3 1.432(17) 10_556 ?
S3 O2S3 1.432(17) . ?
S3 O1S3 1.53(2) . ?
S3 C3S 1.844(13) . ?
F1S3 C3S 1.319(5) . ?
F2S3 C3S 1.319(5) . ?
C3S F1S3 1.319(5) 10_556 ?
S4 O2S4 1.435(5) . ?
S4 O1S4 1.435(5) . ?
S4 O3S4 1.435(5) . ?
S4 C4S 1.798(4) . ?
C4S F3S4 1.317(4) . ?
C4S F1S4 1.317(4) . ?
C4S F2S4 1.318(5) . ?
O201 C203 1.09(4) . ?
O201 C201 1.57(7) 3_665 ?
O201 C201 1.57(7) 2_655 ?
O201 C201 1.57(7) . ?
C201 C202 1.83(11) . ?
N102 C103 1.152(5) . ?
C103 C104 1.458(9) . ?
N103 N103 0.870(11) 7_657 ?
N103 C105 1.149(5) . ?
C105 C106 1.452(9) . ?
