#------------------------------------------------------------------------------
#$Date: 2024-02-05 06:10:28 +0100 (Mon 05 de Feb de 2024) $
#$Revision: 289671 $
#$URL: svn://www.crystallography.net/cod/cif/1/57/09/1570917.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_1570917
loop_
_publ_author_name
'Gallo, Elisa'
'Bellucci, Luca'
'Carlotto, Silvia'
'Bottaro, Gregorio'
'Babetto, Luca'
'Giordano, Luca'
'Marchetti, Fabio'
'Samaritani, Simona'
'Armelao, Lidia'
'Labella, Luca'
_publ_section_title
;
 Aluminium 8-Hydroxyquinolinate N-Oxide as a Precursor to
 Heterometallic Aluminium-Lanthanide Complexes.
;
_journal_issue                   2
_journal_name_full               'Molecules (Basel, Switzerland)'
_journal_page_first              451
_journal_paper_doi               10.3390/molecules29020451
_journal_volume                  29
_journal_year                    2024
_chemical_formula_moiety         'C42 H21 Al Eu F18 N3 012, 0.5(C7 H8)'
_chemical_formula_sum            'C45.5 H25 Al Eu F18 N3 O12'
_chemical_formula_weight         1326.62
_space_group_crystal_system      monoclinic
_space_group_IT_number           13
_space_group_name_Hall           '-P 2yc'
_space_group_name_H-M_alt        'P 1 2/c 1'
_atom_sites_solution_hydrogens   geom
_audit_creation_method           SHELXL-2018/3
_cell_angle_alpha                90
_cell_angle_beta                 106.1290(10)
_cell_angle_gamma                90
_cell_formula_units_Z            4
_cell_length_a                   20.3737(6)
_cell_length_b                   12.9319(3)
_cell_length_c                   20.6857(6)
_cell_measurement_reflns_used    9869
_cell_measurement_temperature    296(2)
_cell_measurement_theta_max      26.32
_cell_measurement_theta_min      2.54
_cell_volume                     5235.6(2)
_computing_cell_refinement       'Bruker SAINT'
_computing_data_collection       'Bruker APEX2'
_computing_data_reduction        'Bruker SAINT'
_computing_molecular_graphics    'Bruker SHELXTL'
_computing_publication_material  'WinGX publication routines (Farrugia, 1999)'
_computing_structure_refinement  'SHELXL-2014/7 (Sheldrick, 2014)'
_computing_structure_solution    'SHELXS-97 (Sheldrick, 1997)'
_diffrn_ambient_temperature      296(2)
_diffrn_measured_fraction_theta_full 0.994
_diffrn_measured_fraction_theta_max 0.994
_diffrn_measurement_device_type  'Bruker APEX-II CCD'
_diffrn_measurement_method       'φ and ω scans'
_diffrn_radiation_monochromator  graphite
_diffrn_radiation_source         'sealed tube'
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_reflns_av_R_equivalents  0.0378
_diffrn_reflns_av_unetI/netI     0.0340
_diffrn_reflns_Laue_measured_fraction_full 0.994
_diffrn_reflns_Laue_measured_fraction_max 0.994
_diffrn_reflns_limit_h_max       23
_diffrn_reflns_limit_h_min       -25
_diffrn_reflns_limit_k_max       15
_diffrn_reflns_limit_k_min       -15
_diffrn_reflns_limit_l_max       24
_diffrn_reflns_limit_l_min       -25
_diffrn_reflns_number            48953
_diffrn_reflns_point_group_measured_fraction_full 0.994
_diffrn_reflns_point_group_measured_fraction_max 0.994
_diffrn_reflns_theta_full        25.242
_diffrn_reflns_theta_max         25.993
_diffrn_reflns_theta_min         2.585
_exptl_absorpt_coefficient_mu    1.340
_exptl_absorpt_correction_T_max  0.7454
_exptl_absorpt_correction_T_min  0.5685
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   'Bruker SADABS'
_exptl_crystal_colour            yellow
_exptl_crystal_density_diffrn    1.683
_exptl_crystal_description       Plate
_exptl_crystal_F_000             2612
_exptl_crystal_size_max          0.270
_exptl_crystal_size_mid          0.220
_exptl_crystal_size_min          0.068
_refine_diff_density_max         0.863
_refine_diff_density_min         -0.686
_refine_diff_density_rms         0.077
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.054
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     741
_refine_ls_number_reflns         10231
_refine_ls_number_restraints     43
_refine_ls_restrained_S_all      1.065
_refine_ls_R_factor_all          0.0791
_refine_ls_R_factor_gt           0.0512
_refine_ls_shift/su_max          0.025
_refine_ls_shift/su_mean         0.002
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'w=1/[σ²(Fo²)+(0.0663P)²+6.9785P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1290
_refine_ls_wR_factor_ref         0.1450
_reflns_Friedel_coverage         0.000
_reflns_number_gt                7219
_reflns_number_total             10231
_reflns_threshold_expression     'I > 2σ(I)'
_cod_data_source_file            Compn_5.cif
_cod_data_source_block           shelx
_cod_depositor_comments
;
The following automatic conversions were performed:

data item '_exptl_absorpt_correction_type' value 'Multi-scan' was
changed to 'multi-scan' in accordance with the
/home/data/users/saulius/crontab/automatic-downloads/current/MDPI/lib/dictionaries/cif_core.dic
dictionary named 'cif_core.dic' version 2.4.2 last updated on
2011-04-26.

Automatic conversion script
Id: cif_fix_values 8170 2020-07-09 18:12:32Z antanas 
;
_cod_original_sg_symbol_H-M      'P 2/c'
_cod_original_formula_sum        'C45.50 H25 Al Eu F18 N3 O12'
_cod_database_code               1570917
_shelx_shelxl_version_number     2018/3
_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.
;
_shelx_estimated_absorpt_t_min   0.714
_shelx_estimated_absorpt_t_max   0.914
loop_
_space_group_symop_operation_xyz
'x, y, z'
'-x, y, -z+1/2'
'-x, -y, -z'
'x, -y, 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_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 0.74031(2) 0.19060(2) 0.55377(2) 0.06045(12) Uani 1 1 d . . . . .
Al1 Al 0.75448(10) 0.43930(12) 0.54657(8) 0.0663(4) Uani 1 1 d . . . . .
O1 O 0.7277(3) 0.5370(3) 0.5990(3) 0.1141(18) Uani 1 1 d . . . . .
N1 N 0.7297(3) 0.5343(5) 0.6630(3) 0.0963(18) Uani 1 1 d . . . . .
C1 C 0.7033(5) 0.6188(7) 0.6849(5) 0.129(3) Uani 1 1 d . . . . .
H1 H 0.685519 0.672958 0.655692 0.155 Uiso 1 1 calc R U . . .
C2 C 0.7031(7) 0.6230(12) 0.7513(7) 0.166(5) Uani 1 1 d . U . . .
H2 H 0.684277 0.680624 0.766388 0.199 Uiso 1 1 calc R U . . .
C3 C 0.7291(7) 0.5466(12) 0.7954(6) 0.159(5) Uani 1 1 d . U . . .
H3 H 0.726929 0.551400 0.839621 0.191 Uiso 1 1 calc R U . . .
C4 C 0.7589(4) 0.4615(8) 0.7750(4) 0.108(3) Uani 1 1 d . . . . .
C5 C 0.7884(6) 0.3818(12) 0.8181(4) 0.137(5) Uani 1 1 d . . . . .
H5 H 0.785915 0.383855 0.862337 0.164 Uiso 1 1 calc R U . . .
C6 C 0.8206(6) 0.3010(9) 0.7985(4) 0.130(4) Uani 1 1 d . . . . .
H6 H 0.842889 0.251402 0.829348 0.155 Uiso 1 1 calc R U . . .
C7 C 0.8197(4) 0.2939(6) 0.7315(3) 0.105(2) Uani 1 1 d . . . . .
H7 H 0.841278 0.238090 0.717677 0.126 Uiso 1 1 calc R U . . .
C8 C 0.7879(3) 0.3668(5) 0.6844(3) 0.0769(16) Uani 1 1 d . . . . .
O2 O 0.7863(2) 0.3509(3) 0.62008(18) 0.0777(11) Uani 1 1 d . . . . .
C9 C 0.7585(4) 0.4538(6) 0.7058(3) 0.0825(18) Uani 1 1 d . . . . .
O3 O 0.8372(2) 0.5070(3) 0.55745(19) 0.0781(11) Uani 1 1 d . . . . .
N2 N 0.8688(2) 0.5154(3) 0.5090(2) 0.0679(12) Uani 1 1 d . . . . .
C10 C 0.9034(3) 0.6028(5) 0.5081(3) 0.0857(19) Uani 1 1 d . . . . .
H10 H 0.901115 0.655630 0.537884 0.103 Uiso 1 1 calc R U . . .
C11 C 0.9418(4) 0.6162(6) 0.4645(4) 0.099(2) Uani 1 1 d . . . . .
H11 H 0.965735 0.677585 0.464994 0.119 Uiso 1 1 calc R U . . .
C12 C 0.9452(3) 0.5419(7) 0.4211(4) 0.095(2) Uani 1 1 d . . . . .
H12 H 0.971046 0.552100 0.391062 0.114 Uiso 1 1 calc R U . . .
C13 C 0.9097(3) 0.4471(5) 0.4202(3) 0.0780(17) Uani 1 1 d . . . . .
C14 C 0.9136(4) 0.3648(7) 0.3775(4) 0.100(2) Uani 1 1 d . . . . .
H14 H 0.940029 0.371744 0.347594 0.120 Uiso 1 1 calc R U . . .
C15 C 0.8794(4) 0.2749(7) 0.3789(4) 0.104(2) Uani 1 1 d . . . . .
H15 H 0.884851 0.219461 0.352278 0.125 Uiso 1 1 calc R U . . .
C16 C 0.8360(4) 0.2656(5) 0.4203(3) 0.0837(18) Uani 1 1 d . . . . .
H16 H 0.811386 0.204749 0.419003 0.100 Uiso 1 1 calc R U . . .
C17 C 0.8286(3) 0.3431(4) 0.4629(2) 0.0598(12) Uani 1 1 d . . . . .
O4 O 0.78505(19) 0.3339(3) 0.49959(17) 0.0617(9) Uani 1 1 d . . . . .
C18 C 0.8683(3) 0.4343(4) 0.4649(2) 0.0614(13) Uani 1 1 d . . . . .
O5 O 0.7171(2) 0.5173(3) 0.4703(2) 0.0778(11) Uani 1 1 d . . . . .
N3 N 0.6524(3) 0.5356(4) 0.4431(3) 0.0841(15) Uani 1 1 d . . . . .
C19 C 0.6364(4) 0.6207(6) 0.4032(4) 0.110(3) Uani 1 1 d . . . . .
H19 H 0.671648 0.664330 0.399876 0.132 Uiso 1 1 calc R U . . .
C20 C 0.5712(6) 0.6452(9) 0.3680(7) 0.174(5) Uani 1 1 d . . . . .
H20 H 0.562486 0.704827 0.341861 0.209 Uiso 1 1 calc R U . . .
C21 C 0.5199(5) 0.5830(9) 0.3711(8) 0.202(7) Uani 1 1 d . . . . .
H21 H 0.475688 0.597459 0.345228 0.243 Uiso 1 1 calc R U . . .
C22 C 0.5324(4) 0.4947(8) 0.4137(6) 0.157(5) Uani 1 1 d . . . . .
C23 C 0.4808(5) 0.4303(9) 0.4209(8) 0.213(7) Uani 1 1 d . . . . .
H23 H 0.436137 0.443020 0.395572 0.255 Uiso 1 1 calc R U . . .
C24 C 0.4940(5) 0.3479(8) 0.4646(8) 0.183(6) Uani 1 1 d . . . . .
H24 H 0.458346 0.308628 0.471643 0.220 Uiso 1 1 calc R U . . .
C25 C 0.5602(4) 0.3244(6) 0.4976(6) 0.132(4) Uani 1 1 d . . . . .
H25 H 0.568983 0.265274 0.524227 0.158 Uiso 1 1 calc R U . . .
C26 C 0.6134(3) 0.3831(4) 0.4933(4) 0.0845(19) Uani 1 1 d . . . . .
O6 O 0.6748(2) 0.3597(3) 0.5306(2) 0.0735(10) Uani 1 1 d . . . . .
C27 C 0.6004(3) 0.4706(5) 0.4497(4) 0.092(2) Uani 1 1 d . . . . .
C28 C 0.6204(5) 0.1892(7) 0.7188(5) 0.112(3) Uani 1 1 d . . . . .
F1 F 0.6225(5) 0.1483(7) 0.7734(4) 0.240(5) Uani 1 1 d . . . . .
F2 F 0.5586(4) 0.1763(7) 0.6799(5) 0.231(4) Uani 1 1 d . . . . .
F3 F 0.6209(4) 0.2911(5) 0.7265(4) 0.163(2) Uani 1 1 d . . . . .
C29 C 0.6712(4) 0.1514(5) 0.6835(4) 0.0898(19) Uani 1 1 d . . . . .
O7 O 0.6780(2) 0.2091(3) 0.6376(2) 0.0778(11) Uani 1 1 d . . . . .
C30 C 0.7084(4) 0.0628(6) 0.7100(4) 0.110(3) Uani 1 1 d . . . . .
H30 H 0.697551 0.026404 0.744443 0.132 Uiso 1 1 calc R U . . .
C31 C 0.7609(4) 0.0291(6) 0.6857(4) 0.104(2) Uani 1 1 d . . . . .
O8 O 0.7823(2) 0.0674(3) 0.6417(2) 0.0901(13) Uani 1 1 d . . . . .
C32 C 0.7984(7) -0.0700(11) 0.7184(9) 0.161(5) Uani 1 1 d . . . . .
F4 F 0.7769(5) -0.1125(8) 0.7592(7) 0.304(7) Uani 1 1 d . . . . .
F5 F 0.7977(7) -0.1400(6) 0.6741(6) 0.268(6) Uani 1 1 d . . . . .
F6 F 0.8600(5) -0.0562(7) 0.7443(6) 0.265(6) Uani 1 1 d . . . . .
C33 C 0.9768(5) 0.1204(9) 0.6203(8) 0.139(4) Uani 1 1 d . . . . .
F7A F 1.0186(10) 0.0499(13) 0.6095(13) 0.217(12) Uani 0.51(2) 1 d G . P A 1
F8A F 0.9787(9) 0.1073(18) 0.6884(7) 0.255(15) Uani 0.51(2) 1 d G . P A 1
F9A F 0.9978(8) 0.2124(11) 0.6151(7) 0.172(8) Uani 0.51(2) 1 d G . P A 1
F7B F 0.9936(6) 0.2003(9) 0.6571(6) 0.216(15) Uani 0.49(2) 1 d G . P A 2
F8B F 1.0086(9) 0.1366(9) 0.5663(9) 0.203(10) Uani 0.49(2) 1 d G . P A 2
F9B F 1.0059(9) 0.0360(9) 0.6483(8) 0.196(11) Uani 0.49(2) 1 d G . P A 2
C34 C 0.9030(4) 0.1044(6) 0.5797(5) 0.106(2) Uani 1 1 d . . . . .
O9 O 0.8641(2) 0.1769(3) 0.5835(2) 0.0813(11) Uani 1 1 d . . . . .
C35 C 0.8875(5) 0.0135(7) 0.5401(5) 0.116(3) Uani 1 1 d . . . . .
H35 H 0.921348 -0.035593 0.541990 0.139 Uiso 1 1 calc R U . . .
C36 C 0.8217(5) -0.0026(6) 0.4985(5) 0.114(3) Uani 1 1 d . . . . .
O10 O 0.7725(2) 0.0527(3) 0.4927(3) 0.0948(14) Uani 1 1 d . . . . .
C37 C 0.8078(11) -0.1045(10) 0.4582(10) 0.189(6) Uani 1 1 d . . . . .
F10 F 0.8583(5) -0.1573(7) 0.4601(6) 0.243(5) Uani 1 1 d . . . . .
F11 F 0.7927(11) -0.0830(11) 0.3973(7) 0.391(12) Uani 1 1 d . . . . .
F12 F 0.7711(9) -0.1627(10) 0.4746(12) 0.399(14) Uani 1 1 d . . . . .
C38 C 0.5952(12) 0.1613(18) 0.3373(8) 0.236(6) Uani 1 1 d . U . . .
F13 F 0.5608(7) 0.0905(10) 0.2974(5) 0.341(7) Uani 1 1 d . U . . .
F14 F 0.6461(8) 0.1493(9) 0.3012(5) 0.267(6) Uani 1 1 d . . . . .
F15 F 0.5862(5) 0.2507(9) 0.3215(4) 0.230(4) Uani 1 1 d . U . . .
C39 C 0.6274(5) 0.1305(7) 0.4054(5) 0.118(3) Uani 1 1 d . . . . .
O11 O 0.6682(2) 0.1914(3) 0.4400(2) 0.0853(12) Uani 1 1 d . . . . .
C40 C 0.5988(5) 0.0403(8) 0.4252(5) 0.130(3) Uani 1 1 d . . . . .
H40 H 0.568159 -0.000416 0.393633 0.156 Uiso 1 1 calc R U . . .
C41 C 0.6176(5) 0.0140(7) 0.4932(6) 0.115(3) Uani 1 1 d . . . . .
O12 O 0.6555(3) 0.0590(4) 0.5417(3) 0.0958(14) Uani 1 1 d . . . . .
C42 C 0.5903(9) -0.0914(11) 0.5094(11) 0.191(5) Uani 1 1 d . U . . .
F16 F 0.5369(5) -0.1230(7) 0.4697(6) 0.278(6) Uani 1 1 d . U . . .
F17 F 0.5674(7) -0.0808(7) 0.5617(6) 0.266(5) Uani 1 1 d . U . . .
F18 F 0.6343(5) -0.1575(6) 0.5280(7) 0.262(5) Uani 1 1 d . U . . .
C43 C 1.000000 0.7285(16) 0.750000 0.233(16) Uani 1 2 d DS T P . .
H43 H 1.000000 0.800428 0.750000 0.280 Uiso 1 2 calc R U P . .
C44 C 0.9444(5) 0.6735(9) 0.7122(5) 0.215(9) Uani 1 1 d G U . . .
H44 H 0.905673 0.708528 0.687548 0.258 Uiso 1 1 calc R U . . .
C45 C 0.9461(4) 0.5670(9) 0.7110(3) 0.171(6) Uani 1 1 d G . . . .
H45 H 0.909727 0.531246 0.682616 0.205 Uiso 1 1 calc R U . . .
C46 C 0.9993(6) 0.5133(10) 0.7500(5) 0.140(5) Uani 1 2 d G T P . .
C47 C 0.9992(10) 0.3966(10) 0.7499(4) 0.305(18) Uani 1 2 d G T P . .
H47A H 0.957260 0.371922 0.719951 0.458 Uiso 0.25 1 calc R U P . .
H47B H 1.037060 0.371703 0.735254 0.458 Uiso 0.25 1 calc R U P . .
H47C H 1.003139 0.371814 0.794626 0.458 Uiso 0.25 1 calc R U P . .
H47D H 1.041046 0.371704 0.779936 0.458 Uiso 0.25 1 calc R U P . .
H47E H 0.961245 0.371923 0.764634 0.458 Uiso 0.25 1 calc R U P . .
H47F H 0.995167 0.371812 0.705261 0.458 Uiso 0.25 1 calc R U P . .
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'
Al Al 0.0645 0.0514 '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'
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
O10 Eu1 O12 73.08(17) . . ?
O10 Eu1 O8 79.13(17) . . ?
O12 Eu1 O8 72.54(17) . . ?
O10 Eu1 O11 70.58(16) . . ?
O12 Eu1 O11 70.91(16) . . ?
O8 Eu1 O11 137.74(16) . . ?
O10 Eu1 O7 136.75(15) . . ?
O12 Eu1 O7 68.77(16) . . ?
O8 Eu1 O7 70.73(14) . . ?
O11 Eu1 O7 113.54(16) . . ?
O10 Eu1 O9 70.14(16) . . ?
O12 Eu1 O9 130.11(16) . . ?
O8 Eu1 O9 68.42(14) . . ?
O11 Eu1 O9 123.89(16) . . ?
O7 Eu1 O9 122.56(15) . . ?
O10 Eu1 O4 97.49(15) . . ?
O12 Eu1 O4 146.67(15) . . ?
O8 Eu1 O4 138.33(14) . . ?
O11 Eu1 O4 75.79(13) . . ?
O7 Eu1 O4 125.65(12) . . ?
O9 Eu1 O4 71.42(13) . . ?
O10 Eu1 O2 142.18(15) . . ?
O12 Eu1 O2 142.39(15) . . ?
O8 Eu1 O2 97.70(15) . . ?
O11 Eu1 O2 124.29(13) . . ?
O7 Eu1 O2 73.71(14) . . ?
O9 Eu1 O2 73.70(14) . . ?
O4 Eu1 O2 60.06(11) . . ?
O10 Eu1 O6 138.90(15) . . ?
O12 Eu1 O6 105.50(15) . . ?
O8 Eu1 O6 140.92(14) . . ?
O11 Eu1 O6 70.42(14) . . ?
O7 Eu1 O6 72.42(12) . . ?
O9 Eu1 O6 124.39(13) . . ?
O4 Eu1 O6 60.55(11) . . ?
O2 Eu1 O6 59.32(14) . . ?
O10 Eu1 Al1 132.74(12) . . ?
O12 Eu1 Al1 140.76(13) . . ?
O8 Eu1 Al1 132.83(13) . . ?
O11 Eu1 Al1 89.35(10) . . ?
O7 Eu1 Al1 90.36(9) . . ?
O9 Eu1 Al1 89.11(10) . . ?
O4 Eu1 Al1 35.30(8) . . ?
O2 Eu1 Al1 35.18(9) . . ?
O6 Eu1 Al1 35.28(10) . . ?
O1 Al1 O5 90.5(2) . . ?
O1 Al1 O3 90.7(2) . . ?
O5 Al1 O3 89.47(19) . . ?
O1 Al1 O2 91.9(2) . . ?
O5 Al1 O2 174.7(2) . . ?
O3 Al1 O2 95.3(2) . . ?
O1 Al1 O6 95.5(2) . . ?
O5 Al1 O6 91.07(19) . . ?
O3 Al1 O6 173.7(2) . . ?
O2 Al1 O6 83.95(19) . . ?
O1 Al1 O4 175.4(2) . . ?
O5 Al1 O4 94.12(19) . . ?
O3 Al1 O4 89.12(18) . . ?
O2 Al1 O4 83.52(17) . . ?
O6 Al1 O4 84.60(17) . . ?
O1 Al1 Eu1 127.54(17) . . ?
O5 Al1 Eu1 124.11(15) . . ?
O3 Al1 Eu1 123.55(15) . . ?
O2 Al1 Eu1 50.93(13) . . ?
O6 Al1 Eu1 51.52(12) . . ?
O4 Al1 Eu1 49.39(11) . . ?
N1 O1 Al1 130.0(4) . . ?
O1 N1 C1 114.4(7) . . ?
O1 N1 C9 123.6(5) . . ?
C1 N1 C9 122.0(7) . . ?
N1 C1 C2 118.6(11) . . ?
N1 C1 H1 120.7 . . ?
C2 C1 H1 120.7 . . ?
C3 C2 C1 122.4(12) . . ?
C3 C2 H2 118.8 . . ?
C1 C2 H2 118.8 . . ?
C2 C3 C4 120.1(11) . . ?
C2 C3 H3 119.9 . . ?
C4 C3 H3 119.9 . . ?
C3 C4 C5 123.1(10) . . ?
C3 C4 C9 118.8(11) . . ?
C5 C4 C9 118.2(9) . . ?
C6 C5 C4 122.7(9) . . ?
C6 C5 H5 118.7 . . ?
C4 C5 H5 118.7 . . ?
C5 C6 C7 118.6(10) . . ?
C5 C6 H6 120.7 . . ?
C7 C6 H6 120.7 . . ?
C8 C7 C6 122.3(9) . . ?
C8 C7 H7 118.8 . . ?
C6 C7 H7 118.8 . . ?
O2 C8 C7 118.3(6) . . ?
O2 C8 C9 122.9(6) . . ?
C7 C8 C9 118.8(6) . . ?
C8 O2 Al1 128.5(4) . . ?
C8 O2 Eu1 124.8(3) . . ?
Al1 O2 Eu1 93.89(16) . . ?
N1 C9 C8 122.8(6) . . ?
N1 C9 C4 118.0(7) . . ?
C8 C9 C4 119.2(8) . . ?
N2 O3 Al1 123.8(3) . . ?
C10 N2 O3 116.4(5) . . ?
C10 N2 C18 122.5(5) . . ?
O3 N2 C18 120.9(4) . . ?
N2 C10 C11 121.4(7) . . ?
N2 C10 H10 119.3 . . ?
C11 C10 H10 119.3 . . ?
C12 C11 C10 120.1(7) . . ?
C12 C11 H11 119.9 . . ?
C10 C11 H11 119.9 . . ?
C11 C12 C13 120.8(7) . . ?
C11 C12 H12 119.6 . . ?
C13 C12 H12 119.6 . . ?
C14 C13 C12 123.2(6) . . ?
C14 C13 C18 118.0(6) . . ?
C12 C13 C18 118.8(7) . . ?
C15 C14 C13 121.1(6) . . ?
C15 C14 H14 119.5 . . ?
C13 C14 H14 119.5 . . ?
C14 C15 C16 120.2(7) . . ?
C14 C15 H15 119.9 . . ?
C16 C15 H15 119.9 . . ?
C17 C16 C15 122.2(6) . . ?
C17 C16 H16 118.9 . . ?
C15 C16 H16 118.9 . . ?
O4 C17 C16 120.9(5) . . ?
O4 C17 C18 121.6(5) . . ?
C16 C17 C18 117.4(5) . . ?
C17 O4 Al1 127.1(3) . . ?
C17 O4 Eu1 136.0(3) . . ?
Al1 O4 Eu1 95.32(14) . . ?
N2 C18 C13 116.2(5) . . ?
N2 C18 C17 123.0(5) . . ?
C13 C18 C17 120.8(5) . . ?
N3 O5 Al1 126.5(3) . . ?
O5 N3 C19 116.9(5) . . ?
O5 N3 C27 123.7(5) . . ?
C19 N3 C27 119.3(6) . . ?
N3 C19 C20 123.1(8) . . ?
N3 C19 H19 118.5 . . ?
C20 C19 H19 118.5 . . ?
C21 C20 C19 119.6(8) . . ?
C21 C20 H20 120.2 . . ?
C19 C20 H20 120.2 . . ?
C20 C21 C22 120.4(9) . . ?
C20 C21 H21 119.8 . . ?
C22 C21 H21 119.8 . . ?
C23 C22 C27 118.3(7) . . ?
C23 C22 C21 122.7(9) . . ?
C27 C22 C21 119.0(8) . . ?
C22 C23 C24 121.5(9) . . ?
C22 C23 H23 119.2 . . ?
C24 C23 H23 119.3 . . ?
C25 C24 C23 119.1(8) . . ?
C25 C24 H24 120.5 . . ?
C23 C24 H24 120.5 . . ?
C26 C25 C24 122.9(7) . . ?
C26 C25 H25 118.6 . . ?
C24 C25 H25 118.6 . . ?
O6 C26 C25 119.0(6) . . ?
O6 C26 C27 122.3(5) . . ?
C25 C26 C27 118.6(7) . . ?
C26 O6 Al1 128.1(3) . . ?
C26 O6 Eu1 132.5(4) . . ?
Al1 O6 Eu1 93.20(16) . . ?
N3 C27 C22 118.5(6) . . ?
N3 C27 C26 122.1(6) . . ?
C22 C27 C26 119.4(6) . . ?
F1 C28 F2 107.0(9) . . ?
F1 C28 F3 108.6(9) . . ?
F2 C28 F3 100.1(8) . . ?
F1 C28 C29 116.7(7) . . ?
F2 C28 C29 109.6(9) . . ?
F3 C28 C29 113.4(7) . . ?
O7 C29 C30 128.8(7) . . ?
O7 C29 C28 114.4(6) . . ?
C30 C29 C28 116.6(6) . . ?
C29 O7 Eu1 132.6(4) . . ?
C31 C30 C29 120.6(6) . . ?
C31 C30 H30 119.7 . . ?
C29 C30 H30 119.7 . . ?
O8 C31 C30 128.4(6) . . ?
O8 C31 C32 115.4(8) . . ?
C30 C31 C32 116.2(8) . . ?
C31 O8 Eu1 135.5(4) . . ?
F4 C32 F6 106.9(14) . . ?
F4 C32 F5 104.3(15) . . ?
F6 C32 F5 102.7(13) . . ?
F4 C32 C31 117.3(11) . . ?
F6 C32 C31 112.9(13) . . ?
F5 C32 C31 111.4(13) . . ?
F7B C33 F9B 113.7(15) . . ?
F9A C33 F7A 112.7(11) . . ?
F9A C33 F8A 106.2(14) . . ?
F7A C33 F8A 104.4(11) . . ?
F7B C33 F8B 103.8(11) . . ?
F9B C33 F8B 102.6(10) . . ?
F7B C33 C34 120.1(10) . . ?
F9A C33 C34 112.5(11) . . ?
F9B C33 C34 113.0(11) . . ?
F7A C33 C34 113.7(15) . . ?
F8A C33 C34 106.5(11) . . ?
F8B C33 C34 100.3(13) . . ?
O9 C34 C35 128.2(8) . . ?
O9 C34 C33 114.3(9) . . ?
C35 C34 C33 117.4(8) . . ?
C34 O9 Eu1 132.3(5) . . ?
C36 C35 C34 120.2(7) . . ?
C36 C35 H35 119.9 . . ?
C34 C35 H35 119.9 . . ?
O10 C36 C35 127.0(8) . . ?
O10 C36 C37 115.4(11) . . ?
C35 C36 C37 117.5(10) . . ?
C36 O10 Eu1 137.2(6) . . ?
F12 C37 F10 103.3(15) . . ?
F12 C37 F11 116(2) . . ?
F10 C37 F11 97.2(14) . . ?
F12 C37 C36 115.3(14) . . ?
F10 C37 C36 115.6(16) . . ?
F11 C37 C36 108.2(14) . . ?
F15 C38 F13 119.5(15) . . ?
F15 C38 C39 121.8(17) . . ?
F13 C38 C39 116.5(14) . . ?
F15 C38 F14 92.3(12) . . ?
F13 C38 F14 86.2(18) . . ?
C39 C38 F14 106.2(19) . . ?
O11 C39 C40 129.1(8) . . ?
O11 C39 C38 116.6(9) . . ?
C40 C39 C38 113.6(10) . . ?
C39 O11 Eu1 134.6(5) . . ?
C41 C40 C39 118.2(8) . . ?
C41 C40 H40 120.9 . . ?
C39 C40 H40 120.9 . . ?
O12 C41 C40 130.1(8) . . ?
O12 C41 C42 114.9(11) . . ?
C40 C41 C42 114.8(12) . . ?
C41 O12 Eu1 133.9(5) . . ?
F18 C42 F16 114.3(15) . . ?
F18 C42 F17 102.4(18) . . ?
F16 C42 F17 97.7(13) . . ?
F18 C42 C41 114.1(12) . . ?
F16 C42 C41 116.8(16) . . ?
F17 C42 C41 108.8(14) . . ?
C44 C43 C44 118.0(18) . 2_756 ?
C44 C43 H43 121.0 . . ?
C44 C43 H43 121.0 2_756 . ?
C43 C44 C45 120.3(9) . . ?
C43 C44 H44 119.8 . . ?
C45 C44 H44 119.8 . . ?
C46 C45 C44 121.5 . . ?
C46 C45 H45 119.3 . . ?
C44 C45 H45 119.3 . . ?
C45 C46 C45 118.6(3) 2_756 . ?
C45 C46 C47 120.6(3) 2_756 . ?
C45 C46 C47 120.9 . . ?
C46 C47 H47A 109.5 . . ?
C46 C47 H47B 109.5 . . ?
H47A C47 H47B 109.5 . . ?
C46 C47 H47C 109.5 . . ?
H47A C47 H47C 109.5 . . ?
H47B C47 H47C 109.5 . . ?
H47D C47 H47E 109.5 . . ?
H47D C47 H47F 109.5 . . ?
H47E C47 H47F 109.5 . . ?
C46 C47 H47A 108.8(6) . 2_756 ?
H47A C47 H47A 141.7 . 2_756 ?
H47B C47 H47A 55.2 . 2_756 ?
H47C C47 H47A 57.6 . 2_756 ?
C46 C47 H47C 109.4(4) . 2_756 ?
H47A C47 H47C 58.2 . 2_756 ?
H47B C47 H47C 54.3 . 2_756 ?
H47C C47 H47C 141.1 . 2_756 ?
H47A C47 H47C 107.0 2_756 2_756 ?
H47D C47 H47E 55.7 . 2_756 ?
H47E C47 H47E 141.8 . 2_756 ?
H47F C47 H47E 57.1 . 2_756 ?
H47D C47 H47F 54.3 . 2_756 ?
H47E C47 H47F 58.2 . 2_756 ?
H47F C47 H47F 140.9 . 2_756 ?
H47E C47 H47F 107.4 2_756 2_756 ?
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 O10 2.380(4) . ?
Eu1 O12 2.389(5) . ?
Eu1 O8 2.389(4) . ?
Eu1 O11 2.403(4) . ?
Eu1 O7 2.428(4) . ?
Eu1 O9 2.431(4) . ?
Eu1 O4 2.467(3) . ?
Eu1 O2 2.518(4) . ?
Eu1 O6 2.538(4) . ?
Eu1 Al1 3.2363(15) . ?
Al1 O1 1.843(5) . ?
Al1 O5 1.848(4) . ?
Al1 O3 1.857(5) . ?
Al1 O2 1.869(4) . ?
Al1 O6 1.872(4) . ?
Al1 O4 1.878(4) . ?
O1 N1 1.313(7) . ?
N1 C1 1.351(9) . ?
N1 C9 1.388(9) . ?
C1 C2 1.377(14) . ?
C1 H1 0.9300 . ?
C2 C3 1.349(17) . ?
C2 H2 0.9300 . ?
C3 C4 1.378(15) . ?
C3 H3 0.9300 . ?
C4 C5 1.386(14) . ?
C4 C9 1.433(9) . ?
C5 C6 1.356(15) . ?
C5 H5 0.9300 . ?
C6 C7 1.384(11) . ?
C6 H6 0.9300 . ?
C7 C8 1.380(9) . ?
C7 H7 0.9300 . ?
C8 O2 1.337(7) . ?
C8 C9 1.404(9) . ?
O3 N2 1.337(6) . ?
N2 C10 1.334(7) . ?
N2 C18 1.389(7) . ?
C10 C11 1.359(10) . ?
C10 H10 0.9300 . ?
C11 C12 1.330(10) . ?
C11 H11 0.9300 . ?
C12 C13 1.420(9) . ?
C12 H12 0.9300 . ?
C13 C14 1.399(10) . ?
C13 C18 1.424(8) . ?
C14 C15 1.361(11) . ?
C14 H14 0.9300 . ?
C15 C16 1.395(9) . ?
C15 H15 0.9300 . ?
C16 C17 1.370(8) . ?
C16 H16 0.9300 . ?
C17 O4 1.323(6) . ?
C17 C18 1.424(7) . ?
O5 N3 1.304(6) . ?
N3 C19 1.359(7) . ?
N3 C27 1.389(8) . ?
C19 C20 1.364(12) . ?
C19 H19 0.9300 . ?
C20 C21 1.334(13) . ?
C20 H20 0.9300 . ?
C21 C22 1.421(12) . ?
C21 H21 0.9300 . ?
C22 C23 1.381(12) . ?
C22 C27 1.414(10) . ?
C23 C24 1.376(13) . ?
C23 H23 0.9300 . ?
C24 C25 1.366(12) . ?
C24 H24 0.9300 . ?
C25 C26 1.345(9) . ?
C25 H25 0.9300 . ?
C26 O6 1.311(7) . ?
C26 C27 1.424(8) . ?
C28 F1 1.236(9) . ?
C28 F2 1.302(12) . ?
C28 F3 1.326(9) . ?
C28 C29 1.505(10) . ?
C29 O7 1.246(7) . ?
C29 C30 1.400(9) . ?
C30 C31 1.374(10) . ?
C30 H30 0.9300 . ?
C31 O8 1.218(8) . ?
C31 C32 1.548(10) . ?
C32 F4 1.187(12) . ?
C32 F6 1.232(15) . ?
C32 F5 1.285(19) . ?
C33 F7B 1.272(16) . ?
C33 F9A 1.278(17) . ?
C33 F9B 1.299(19) . ?
C33 F7A 1.308(18) . ?
C33 F8A 1.41(2) . ?
C33 F8B 1.453(19) . ?
C33 C34 1.519(13) . ?
C34 O9 1.244(8) . ?
C34 C35 1.417(12) . ?
C35 C36 1.393(12) . ?
C35 H35 0.9300 . ?
C36 O10 1.210(9) . ?
C36 C37 1.542(14) . ?
C37 F12 1.176(19) . ?
C37 F10 1.227(16) . ?
C37 F11 1.243(19) . ?
C38 F15 1.20(2) . ?
C38 F13 1.298(18) . ?
C38 C39 1.436(15) . ?
C38 F14 1.44(3) . ?
C39 O11 1.222(9) . ?
C39 C40 1.414(12) . ?
C40 C41 1.393(12) . ?
C40 H40 0.9300 . ?
C41 O12 1.229(10) . ?
C41 C42 1.545(13) . ?
C42 F18 1.221(17) . ?
C42 F16 1.236(18) . ?
C42 F17 1.298(19) . ?
C43 C44 1.381(11) . ?
C43 C44 1.381(9) 2_756 ?
C43 H43 0.9300 . ?
C44 C45 1.3790 . ?
C44 H44 0.9300 . ?
C45 C46 1.3500 . ?
C45 H45 0.9300 . ?
C46 C47 1.5095 . ?
C47 H47A 0.9600 . ?
C47 H47B 0.9600 . ?
C47 H47C 0.9600 . ?
C47 H47D 0.9600 . ?
C47 H47E 0.9600 . ?
C47 H47F 0.9600 . ?
C47 H47A 0.98(3) 2_756 ?
C47 H47C 0.96(2) 2_756 ?
C47 H47E 0.99(4) 2_756 ?
C47 H47F 0.956(19) 2_756 ?
