#------------------------------------------------------------------------------
#$Date: 2019-11-07 22:30:12 +0200 (Thu, 07 Nov 2019) $
#$Revision: 223802 $
#$URL: file:///home/coder/svn-repositories/cod/cif/7/04/89/7048956.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_7048956
loop_
_publ_author_name
'Klementyeva, Svetlana V.'
'Lukoyanov, Anton N.'
'Afonin, Mikhail Yu'
'Mörtel, Max'
'Smolentsev, Anton I.'
'Abramov, Pavel A.'
'Starikova, Alyona A.'
'Khusniyarov, Marat M.'
'Konchenko, Sergey N.'
_publ_section_title
;
 Europium and ytterbium complexes with o-iminoquinonato ligands:
 synthesis, structure, and magnetic behavior.
;
_journal_issue                   10
_journal_name_full
'Dalton transactions (Cambridge, England : 2003)'
_journal_page_first              3338
_journal_page_last               3348
_journal_paper_doi               10.1039/c8dt04849e
_journal_volume                  48
_journal_year                    2019
_chemical_formula_sum            'C115 H171 Eu4 N4 O6'
_chemical_formula_weight         2313.39
_space_group_crystal_system      triclinic
_space_group_IT_number           2
_space_group_name_Hall           '-P 1'
_space_group_name_H-M_alt        'P -1'
_symmetry_space_group_name_Hall  '-P 1'
_symmetry_space_group_name_H-M   'P -1'
_atom_sites_solution_hydrogens   geom
_atom_sites_solution_primary     direct
_atom_sites_solution_secondary   difmap
_audit_creation_method           SHELXL-2017/1
_cell_angle_alpha                103.499(2)
_cell_angle_beta                 95.709(2)
_cell_angle_gamma                114.532(2)
_cell_formula_units_Z            1
_cell_length_a                   13.0158(16)
_cell_length_b                   13.8449(17)
_cell_length_c                   17.793(2)
_cell_measurement_reflns_used    8341
_cell_measurement_temperature    100(2)
_cell_measurement_theta_max      27.56
_cell_measurement_theta_min      2.66
_cell_volume                     2765.5(6)
_computing_cell_refinement       'SAINT (Bruker-AXS, 2004)'
_computing_data_collection       'APEX2 (Bruker-AXS, 2004)'
_computing_data_reduction        'SAINT (Bruker-AXS, 2004)'
_computing_molecular_graphics    'ShelXle (Hübschle, 2011)'
_computing_publication_material  'CIFTAB-2014 (Sheldrick, 2014)'
_computing_structure_refinement  'SHELXL-2014 (Sheldrick, 2014)'
_computing_structure_solution    'SHELXS-2014 (Sheldrick, 2014)'
_diffrn_ambient_temperature      100(2)
_diffrn_detector_area_resol_mean 25
_diffrn_measured_fraction_theta_full 0.992
_diffrn_measured_fraction_theta_max 0.990
_diffrn_measurement_device       'four-circle diffractometer'
_diffrn_measurement_device_type  'Bruker Apex Duo'
_diffrn_measurement_method       'φ and ω scans'
_diffrn_radiation_monochromator  graphite
_diffrn_radiation_probe          x-ray
_diffrn_radiation_source         'fine-focus sealed tube'
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_reflns_av_R_equivalents  0.0484
_diffrn_reflns_av_unetI/netI     0.0728
_diffrn_reflns_Laue_measured_fraction_full 0.992
_diffrn_reflns_Laue_measured_fraction_max 0.990
_diffrn_reflns_limit_h_max       17
_diffrn_reflns_limit_h_min       -17
_diffrn_reflns_limit_k_max       18
_diffrn_reflns_limit_k_min       -18
_diffrn_reflns_limit_l_max       23
_diffrn_reflns_limit_l_min       -23
_diffrn_reflns_number            28195
_diffrn_reflns_point_group_measured_fraction_full 0.992
_diffrn_reflns_point_group_measured_fraction_max 0.990
_diffrn_reflns_theta_full        25.500
_diffrn_reflns_theta_max         28.603
_diffrn_reflns_theta_min         2.348
_diffrn_source                   'sealed X-ray tube'
_exptl_absorpt_coefficient_mu    2.289
_exptl_absorpt_correction_T_max  0.757
_exptl_absorpt_correction_T_min  0.571
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   'SADABS (Bruker-AXS, 2004)'
_exptl_crystal_colour            yellow
_exptl_crystal_density_diffrn    1.389
_exptl_crystal_description       prism
_exptl_crystal_F_000             1189
_exptl_crystal_size_max          0.250
_exptl_crystal_size_mid          0.210
_exptl_crystal_size_min          0.040
_refine_diff_density_max         1.718
_refine_diff_density_min         -2.663
_refine_diff_density_rms         0.148
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.017
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     596
_refine_ls_number_reflns         14032
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      1.017
_refine_ls_R_factor_all          0.0934
_refine_ls_R_factor_gt           0.0502
_refine_ls_shift/su_max          0.001
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'w=1/[σ²(Fo²)+(0.0273P)²+13.8800P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1000
_refine_ls_wR_factor_ref         0.1173
_reflns_Friedel_coverage         0.000
_reflns_number_gt                9290
_reflns_number_total             14032
_reflns_threshold_expression     >2σ(I)
_cod_data_source_file            c8dt04849e3.cif
_cod_data_source_block           1_a
_cod_depositor_comments
'Adding full bibliography for 7048956--7048958.cif.'
_cod_original_cell_volume        2765.6(6)
_cod_database_code               7048956
_shelx_shelxl_version_number     2017/1
_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   0.598
_shelx_estimated_absorpt_t_max   0.914
loop_
_space_group_symop_operation_xyz
'x, y, z'
'-x, -y, -z'
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 0.51384(2) 0.40295(2) 0.26474(2) 0.03502(10) Uani 1 1 d . . . . .
Eu2 Eu 0.36030(2) 0.31331(2) 0.40554(2) 0.02751(8) Uani 1 1 d . . . . .
O3 O 0.4656(3) 0.4898(3) 0.3819(2) 0.0275(8) Uani 1 1 d . . . . .
N4 N 0.6707(4) 0.5910(3) 0.3442(3) 0.0254(10) Uani 1 1 d . . . . .
C5 C 0.5260(4) 0.5995(4) 0.4155(3) 0.0241(11) Uani 1 1 d . . . . .
C6 C 0.6413(4) 0.6520(4) 0.4019(3) 0.0248(11) Uani 1 1 d . . . . .
C7 C 0.7136(4) 0.7632(4) 0.4484(3) 0.0265(11) Uani 1 1 d . . . . .
H8A H 0.794184 0.794072 0.449632 0.032 Uiso 1 1 calc R U . . .
C9 C 0.6705(5) 0.8296(4) 0.4927(3) 0.0289(12) Uani 1 1 d . . . . .
C10 C 0.5533(5) 0.7808(5) 0.4929(3) 0.0309(13) Uani 1 1 d . . . . .
H10A H 0.521389 0.825918 0.519359 0.037 Uiso 1 1 calc R U . . .
C11 C 0.4801(5) 0.6664(5) 0.4551(3) 0.0319(13) Uani 1 1 d . . . . .
C12 C 0.7478(5) 0.9539(5) 0.5379(3) 0.0351(13) Uani 1 1 d . . . . .
C13 C 0.7512(6) 0.9738(5) 0.6267(3) 0.0401(15) Uani 1 1 d . . . . .
H13A H 0.795594 1.053729 0.654754 0.060 Uiso 1 1 calc R U . . .
H13B H 0.788227 0.933414 0.647071 0.060 Uiso 1 1 calc R U . . .
H13C H 0.672078 0.947166 0.635077 0.060 Uiso 1 1 calc R U . . .
C14 C 0.6958(7) 1.0234(6) 0.5092(4) 0.059(2) Uani 1 1 d . . . . .
H14A H 0.744051 1.102421 0.538358 0.089 Uiso 1 1 calc R U . . .
H14B H 0.617297 1.000213 0.518503 0.089 Uiso 1 1 calc R U . . .
H14C H 0.692761 1.011999 0.452402 0.089 Uiso 1 1 calc R U . . .
C15 C 0.8707(6) 0.9940(5) 0.5260(4) 0.0459(17) Uani 1 1 d . . . . .
H15A H 0.916731 1.072688 0.556822 0.069 Uiso 1 1 calc R U . . .
H15B H 0.869947 0.985383 0.469702 0.069 Uiso 1 1 calc R U . . .
H15C H 0.904798 0.949834 0.543909 0.069 Uiso 1 1 calc R U . . .
C16 C 0.3491(5) 0.6223(5) 0.4506(3) 0.0334(13) Uani 1 1 d . . . . .
C17 C 0.3162(9) 0.6879(8) 0.5139(6) 0.039(2) Uiso 0.65 1 d . . P A 1
H17A H 0.343835 0.764116 0.510903 0.059 Uiso 0.65 1 calc R U P A 1
H17B H 0.351311 0.689815 0.565937 0.059 Uiso 0.65 1 calc R U P A 1
H17C H 0.231685 0.653025 0.506627 0.059 Uiso 0.65 1 calc R U P A 1
C18 C 0.2946(9) 0.6203(10) 0.3685(6) 0.043(2) Uiso 0.65 1 d . . P A 1
H18A H 0.326862 0.696201 0.364548 0.064 Uiso 0.65 1 calc R U P A 1
H18B H 0.210523 0.590313 0.362312 0.064 Uiso 0.65 1 calc R U P A 1
H18C H 0.312064 0.573084 0.326777 0.064 Uiso 0.65 1 calc R U P A 1
C19 C 0.2831(9) 0.4999(8) 0.4545(6) 0.040(2) Uiso 0.65 1 d . . P A 1
H19A H 0.272740 0.447101 0.403448 0.059 Uiso 0.65 1 calc R U P A 1
H19B H 0.207224 0.487046 0.465899 0.059 Uiso 0.65 1 calc R U P A 1
H19C H 0.328328 0.489320 0.496420 0.059 Uiso 0.65 1 calc R U P A 1
C17* C 0.3231(14) 0.7250(14) 0.4882(10) 0.030(4) Uiso 0.35 1 d . . P A 2
H17D H 0.352109 0.780658 0.460180 0.045 Uiso 0.35 1 calc R U P A 2
H17E H 0.362028 0.758772 0.544416 0.045 Uiso 0.35 1 calc R U P A 2
H17F H 0.239447 0.698065 0.482845 0.045 Uiso 0.35 1 calc R U P A 2
C18* C 0.2821(16) 0.5670(16) 0.3683(10) 0.036(4) Uiso 0.35 1 d . . P A 2
H18D H 0.315576 0.614874 0.335547 0.053 Uiso 0.35 1 calc R U P A 2
H18E H 0.201573 0.553237 0.366414 0.053 Uiso 0.35 1 calc R U P A 2
H18F H 0.284470 0.495913 0.348040 0.053 Uiso 0.35 1 calc R U P A 2
C19* C 0.3216(16) 0.5539(15) 0.5063(11) 0.041(4) Uiso 0.35 1 d . . P A 2
H19D H 0.365955 0.600835 0.560145 0.061 Uiso 0.35 1 calc R U P A 2
H19E H 0.342209 0.492804 0.489909 0.061 Uiso 0.35 1 calc R U P A 2
H19F H 0.238596 0.523086 0.505494 0.061 Uiso 0.35 1 calc R U P A 2
C20 C 0.7689(4) 0.6505(4) 0.3155(3) 0.0308(13) Uani 1 1 d . . . . .
C21 C 0.7635(5) 0.7154(4) 0.2663(3) 0.0346(14) Uani 1 1 d . . . . .
C22 C 0.8581(6) 0.7651(5) 0.2339(4) 0.0487(18) Uani 1 1 d . . . . .
H22A H 0.854539 0.809010 0.200895 0.058 Uiso 1 1 calc R U . . .
C23 C 0.9553(6) 0.7520(6) 0.2487(4) 0.056(2) Uani 1 1 d . . . . .
H23A H 1.019234 0.787263 0.226638 0.067 Uiso 1 1 calc R U . . .
C24 C 0.9604(5) 0.6874(6) 0.2958(4) 0.053(2) Uani 1 1 d . . . . .
H24A H 1.027923 0.677356 0.305139 0.064 Uiso 1 1 calc R U . . .
C25 C 0.8691(5) 0.6365(5) 0.3301(4) 0.0386(15) Uani 1 1 d . . . . .
C26 C 0.6595(6) 0.7343(5) 0.2465(4) 0.0409(15) Uani 1 1 d . . . . .
H26A H 0.593938 0.680600 0.263475 0.049 Uiso 1 1 calc R U . . .
C27 C 0.6801(8) 0.8522(6) 0.2903(5) 0.064(2) Uani 1 1 d . . . . .
H27A H 0.701158 0.866011 0.347588 0.096 Uiso 1 1 calc R U . . .
H27B H 0.609185 0.859551 0.277430 0.096 Uiso 1 1 calc R U . . .
H27C H 0.743025 0.906559 0.273936 0.096 Uiso 1 1 calc R U . . .
C28 C 0.6209(6) 0.7138(6) 0.1574(4) 0.0505(18) Uani 1 1 d . . . . .
H28A H 0.611608 0.640428 0.127821 0.076 Uiso 1 1 calc R U . . .
H28B H 0.679650 0.771493 0.140650 0.076 Uiso 1 1 calc R U . . .
H28C H 0.546988 0.716582 0.146999 0.076 Uiso 1 1 calc R U . . .
C29 C 0.8793(5) 0.5691(5) 0.3829(4) 0.0416(15) Uani 1 1 d . . . . .
H29A H 0.827345 0.571831 0.420280 0.050 Uiso 0.35 1 calc R U P B 1
H29B H 0.802867 0.534108 0.397399 0.050 Uiso 0.65 1 calc R U P C 2
C30 C 1.0045(16) 0.6251(15) 0.4345(11) 0.035(4) Uiso 0.35 1 d . . P D 1
H30A H 1.030466 0.705322 0.456646 0.052 Uiso 0.35 1 calc R U P D 1
H30B H 1.056617 0.612684 0.401659 0.052 Uiso 0.35 1 calc R U P D 1
H30C H 1.005296 0.592543 0.477797 0.052 Uiso 0.35 1 calc R U P D 1
C31 C 0.8369(15) 0.4577(14) 0.3391(10) 0.033(4) Uiso 0.35 1 d . . P D 1
H31A H 0.754220 0.426936 0.315595 0.050 Uiso 0.35 1 calc R U P D 1
H31B H 0.847541 0.415724 0.374026 0.050 Uiso 0.35 1 calc R U P D 1
H31C H 0.878963 0.451851 0.296935 0.050 Uiso 0.35 1 calc R U P D 1
C30* C 0.9663(13) 0.6353(12) 0.4556(9) 0.073(4) Uiso 0.65 1 d . . P D 2
H30D H 0.943175 0.687311 0.487957 0.110 Uiso 0.65 1 calc R U P D 2
H30E H 1.040695 0.677371 0.443145 0.110 Uiso 0.65 1 calc R U P D 2
H30F H 0.974082 0.586233 0.485096 0.110 Uiso 0.65 1 calc R U P D 2
C31* C 0.9078(12) 0.4706(11) 0.3392(8) 0.065(3) Uiso 0.65 1 d . . P D 2
H31D H 0.904300 0.423481 0.373252 0.098 Uiso 0.65 1 calc R U P D 2
H31E H 0.985559 0.502718 0.328671 0.098 Uiso 0.65 1 calc R U P D 2
H31F H 0.850833 0.425488 0.288987 0.098 Uiso 0.65 1 calc R U P D 2
O32 O 0.4645(3) 0.2483(3) 0.3193(2) 0.0317(9) Uani 1 1 d . . . . .
N33 N 0.2805(4) 0.2648(4) 0.2586(3) 0.0291(10) Uani 1 1 d . . . . .
C34 C 0.4029(5) 0.1746(5) 0.2462(3) 0.0352(14) Uani 1 1 d . . . . .
C35 C 0.3029(5) 0.1820(4) 0.2131(3) 0.0295(12) Uani 1 1 d . . . . .
C36 C 0.2368(5) 0.1086(5) 0.1389(3) 0.0382(14) Uani 1 1 d . . . . .
H36A H 0.169746 0.113221 0.117510 0.046 Uiso 1 1 calc R U . . .
C37 C 0.2632(6) 0.0300(4) 0.0951(4) 0.0410(16) Uani 1 1 d . . . . .
C38 C 0.3629(6) 0.0249(5) 0.1297(4) 0.0440(16) Uani 1 1 d . . . . .
H38A H 0.382083 -0.030155 0.101220 0.053 Uiso 1 1 calc R U . . .
C39 C 0.4354(5) 0.0971(5) 0.2042(4) 0.0390(15) Uani 1 1 d . . . . .
C40 C 0.1879(7) -0.0529(6) 0.0161(4) 0.060(2) Uani 1 1 d . . . . .
C41 C 0.258(2) -0.118(2) -0.0289(14) 0.042(5) Uiso 0.35 1 d . . P E 1
H41A H 0.336659 -0.062669 -0.026646 0.062 Uiso 0.35 1 calc R U P E 1
H41B H 0.216826 -0.157343 -0.084383 0.062 Uiso 0.35 1 calc R U P E 1
H41C H 0.261598 -0.170889 -0.002225 0.062 Uiso 0.35 1 calc R U P E 1
C42 C 0.0671(18) -0.1383(18) 0.0420(13) 0.041(5) Uiso 0.35 1 d . . P E 1
H42A H 0.090506 -0.161445 0.086009 0.061 Uiso 0.35 1 calc R U P E 1
H42B H 0.019292 -0.204294 -0.003599 0.061 Uiso 0.35 1 calc R U P E 1
H42C H 0.022389 -0.098081 0.058231 0.061 Uiso 0.35 1 calc R U P E 1
C43 C 0.1500(17) -0.0072(17) -0.0333(12) 0.038(4) Uiso 0.35 1 d . . P E 1
H43A H 0.216242 0.045639 -0.048091 0.058 Uiso 0.35 1 calc R U P E 1
H43B H 0.109846 0.031873 -0.006234 0.058 Uiso 0.35 1 calc R U P E 1
H43C H 0.096518 -0.066234 -0.081040 0.058 Uiso 0.35 1 calc R U P E 1
C41* C 0.2247(11) -0.1348(11) -0.0198(8) 0.047(3) Uiso 0.65 1 d . . P E 2
H41D H 0.303748 -0.096750 -0.027057 0.071 Uiso 0.65 1 calc R U P E 2
H41E H 0.172395 -0.182209 -0.071373 0.071 Uiso 0.65 1 calc R U P E 2
H41F H 0.222989 -0.180928 0.014788 0.071 Uiso 0.65 1 calc R U P E 2
C42* C 0.0688(14) -0.1109(14) 0.0199(10) 0.075(5) Uiso 0.65 1 d . . P E 2
H42D H 0.042073 -0.056735 0.043748 0.113 Uiso 0.65 1 calc R U P E 2
H42E H 0.061731 -0.160700 0.052314 0.113 Uiso 0.65 1 calc R U P E 2
H42F H 0.021491 -0.154632 -0.033704 0.113 Uiso 0.65 1 calc R U P E 2
C43* C 0.1960(12) 0.0226(11) -0.0436(8) 0.058(3) Uiso 0.65 1 d . . P E 2
H43D H 0.277286 0.066231 -0.044276 0.087 Uiso 0.65 1 calc R U P E 2
H43E H 0.162610 0.073138 -0.024918 0.087 Uiso 0.65 1 calc R U P E 2
H43F H 0.152862 -0.026295 -0.097194 0.087 Uiso 0.65 1 calc R U P E 2
C44 C 0.5423(6) 0.0880(6) 0.2372(4) 0.0506(19) Uani 1 1 d . . . . .
C45 C 0.6501(6) 0.1997(7) 0.2564(5) 0.073(3) Uani 1 1 d . . . . .
H45A H 0.659705 0.221985 0.208151 0.109 Uiso 1 1 calc R U . . .
H45B H 0.718365 0.192443 0.277066 0.109 Uiso 1 1 calc R U . . .
H45C H 0.641537 0.256341 0.296299 0.109 Uiso 1 1 calc R U . . .
C46 C 0.5293(7) 0.0524(7) 0.3118(4) 0.062(2) Uani 1 1 d . . . . .
H46A H 0.514363 0.105122 0.350822 0.093 Uiso 1 1 calc R U . . .
H46B H 0.600777 0.051525 0.334069 0.093 Uiso 1 1 calc R U . . .
H46C H 0.464459 -0.022330 0.298637 0.093 Uiso 1 1 calc R U . . .
C47 C 0.5645(7) 0.0021(7) 0.1779(4) 0.063(2) Uani 1 1 d . . . . .
H47A H 0.569891 0.020644 0.128070 0.094 Uiso 1 1 calc R U . . .
H47B H 0.500457 -0.072445 0.167757 0.094 Uiso 1 1 calc R U . . .
H47C H 0.637139 0.003290 0.200085 0.094 Uiso 1 1 calc R U . . .
C48 C 0.1874(5) 0.2815(4) 0.2276(3) 0.0294(12) Uani 1 1 d . . . . .
C49 C 0.1943(5) 0.3375(5) 0.1702(3) 0.0360(14) Uani 1 1 d . . . . .
C50 C 0.1105(6) 0.3701(5) 0.1522(4) 0.0445(17) Uani 1 1 d . . . . .
H50A H 0.117787 0.410387 0.114914 0.053 Uiso 1 1 calc R U . . .
C51 C 0.0165(6) 0.3458(5) 0.1869(4) 0.0402(15) Uani 1 1 d . . . . .
H51A H -0.039006 0.371294 0.175592 0.048 Uiso 1 1 calc R U . . .
C52 C 0.0049(5) 0.2836(5) 0.2385(4) 0.0356(13) Uani 1 1 d . . . . .
H52A H -0.061341 0.263475 0.260941 0.043 Uiso 1 1 calc R U . . .
C53 C 0.0866(4) 0.2498(4) 0.2584(3) 0.0275(11) Uani 1 1 d . . . . .
C54 C 0.2973(6) 0.3696(5) 0.1321(3) 0.0450(17) Uani 1 1 d . . . . .
H54A H 0.338180 0.325115 0.142238 0.054 Uiso 1 1 calc R U . . .
C55 C 0.3818(7) 0.4925(5) 0.1707(4) 0.060(2) Uani 1 1 d . . . . .
H55A H 0.399433 0.508339 0.228423 0.090 Uiso 1 1 calc R U . . .
H55B H 0.346834 0.538418 0.157149 0.090 Uiso 1 1 calc R U . . .
H55C H 0.453377 0.509599 0.151457 0.090 Uiso 1 1 calc R U . . .
C56 C 0.2626(8) 0.3436(7) 0.0423(4) 0.075(3) Uani 1 1 d . . . . .
H56A H 0.211839 0.263648 0.018248 0.113 Uiso 1 1 calc R U . . .
H56B H 0.332174 0.364999 0.020429 0.113 Uiso 1 1 calc R U . . .
H56C H 0.221408 0.385587 0.030544 0.113 Uiso 1 1 calc R U . . .
C57 C 0.0643(5) 0.1763(5) 0.3118(4) 0.0350(13) Uani 1 1 d . . . . .
H57A H 0.135897 0.202811 0.353284 0.042 Uiso 0.5 1 calc R U P F 1
H57B H 0.135926 0.166767 0.322359 0.042 Uiso 0.5 1 calc R U P G 2
C58 C -0.0380(10) 0.1666(10) 0.3504(7) 0.036(3) Uiso 0.5 1 d . . P H 1
H58A H -0.026778 0.241276 0.378671 0.054 Uiso 0.5 1 calc R U P H 1
H58B H -0.042927 0.123822 0.387794 0.054 Uiso 0.5 1 calc R U P H 1
H58C H -0.109792 0.128579 0.309302 0.054 Uiso 0.5 1 calc R U P H 1
C59 C 0.0245(10) 0.0498(9) 0.2586(7) 0.028(2) Uiso 0.5 1 d . . P H 1
H59A H 0.086174 0.046725 0.232173 0.042 Uiso 0.5 1 calc R U P H 1
H59B H -0.046121 0.024533 0.218577 0.042 Uiso 0.5 1 calc R U P H 1
H59C H 0.009305 0.001327 0.292634 0.042 Uiso 0.5 1 calc R U P H 1
C58* C 0.0508(16) 0.2319(15) 0.3935(11) 0.073(5) Uiso 0.5 1 d . . P H 2
H58D H 0.116477 0.306183 0.416783 0.109 Uiso 0.5 1 calc R U P H 2
H58E H 0.048583 0.186268 0.428518 0.109 Uiso 0.5 1 calc R U P H 2
H58F H -0.021413 0.238671 0.387217 0.109 Uiso 0.5 1 calc R U P H 2
C59* C -0.0267(15) 0.0687(13) 0.2791(10) 0.063(4) Uiso 0.5 1 d . . P H 2
H59D H -0.100387 0.072563 0.271978 0.094 Uiso 0.5 1 calc R U P H 2
H59E H -0.026896 0.024380 0.314743 0.094 Uiso 0.5 1 calc R U P H 2
H59F H -0.016587 0.033800 0.227591 0.094 Uiso 0.5 1 calc R U P H 2
O60 O 0.5709(7) 0.3875(7) 0.1276(5) 0.036(2) Uiso 0.5 1 d . . P I 1
C61 C 0.6736(16) 0.4440(15) 0.1075(11) 0.047(5) Uiso 0.5 1 d . . P I 1
H61A H 0.738744 0.479512 0.154495 0.056 Uiso 0.5 1 calc R U P I 1
H61B H 0.670866 0.502428 0.085432 0.056 Uiso 0.5 1 calc R U P I 1
C62 C 0.687(2) 0.3607(19) 0.0483(14) 0.103(7) Uiso 0.5 1 d . . P I 1
H62A H 0.753603 0.350143 0.070215 0.124 Uiso 0.5 1 calc R U P I 1
H62B H 0.703393 0.385925 0.001186 0.124 Uiso 0.5 1 calc R U P I 1
C63 C 0.5811(13) 0.2552(13) 0.0255(10) 0.054(4) Uiso 0.5 1 d . . P I 1
H63A H 0.552473 0.225581 -0.032747 0.064 Uiso 0.5 1 calc R U P I 1
H63B H 0.593603 0.198800 0.045146 0.064 Uiso 0.5 1 calc R U P I 1
C64 C 0.5007(12) 0.2866(11) 0.0642(8) 0.043(3) Uiso 0.5 1 d . . P I 1
H64A H 0.450192 0.299095 0.026129 0.051 Uiso 0.5 1 calc R U P I 1
H64B H 0.451293 0.227204 0.085089 0.051 Uiso 0.5 1 calc R U P I 1
O60* O 0.5999(7) 0.3629(6) 0.1468(5) 0.0283(17) Uiso 0.5 1 d . . P I 2
C61* C 0.6920(14) 0.4316(13) 0.1162(9) 0.035(4) Uiso 0.5 1 d . . P I 2
H61C H 0.754602 0.408745 0.114954 0.042 Uiso 0.5 1 calc R U P I 2
H61D H 0.724715 0.511562 0.146295 0.042 Uiso 0.5 1 calc R U P I 2
C62* C 0.6204(13) 0.4039(12) 0.0297(9) 0.051(3) Uiso 0.5 1 d . . P I 2
H62C H 0.572675 0.444063 0.030351 0.061 Uiso 0.5 1 calc R U P I 2
H62D H 0.672341 0.423406 -0.007213 0.061 Uiso 0.5 1 calc R U P I 2
C63* C 0.5467(13) 0.2817(11) 0.0073(8) 0.045(3) Uiso 0.5 1 d . . P I 2
H63C H 0.581097 0.241065 -0.026320 0.054 Uiso 0.5 1 calc R U P I 2
H63D H 0.467963 0.260754 -0.021876 0.054 Uiso 0.5 1 calc R U P I 2
C64* C 0.5429(11) 0.2563(10) 0.0857(7) 0.033(3) Uiso 0.5 1 d . . P I 2
H64C H 0.461738 0.214741 0.089644 0.039 Uiso 0.5 1 calc R U P I 2
H64D H 0.583716 0.210886 0.090846 0.039 Uiso 0.5 1 calc R U P I 2
C65 C 0.1779(14) 0.6834(13) 0.1485(10) 0.063(4) Uiso 0.5 1 d . . P . .
H65A H 0.175044 0.706692 0.204336 0.094 Uiso 0.5 1 calc R U P . .
H65B H 0.204909 0.748395 0.128980 0.094 Uiso 0.5 1 calc R U P . .
H65C H 0.231355 0.650313 0.143374 0.094 Uiso 0.5 1 calc R U P . .
C66 C 0.0711(13) 0.6076(12) 0.1055(9) 0.054(4) Uiso 0.5 1 d . . P . .
H66A H 0.023363 0.647775 0.106869 0.065 Uiso 0.5 1 calc R U P . .
H66B H 0.039807 0.553953 0.135549 0.065 Uiso 0.5 1 calc R U P . .
C67 C 0.0447(12) 0.5378(12) 0.0194(9) 0.055(4) Uiso 0.5 1 d . . P . .
H67A H 0.066336 0.592079 -0.010972 0.066 Uiso 0.5 1 calc R U P . .
H67B H 0.101755 0.507841 0.017267 0.066 Uiso 0.5 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'
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
O32 Eu1 O3 84.36(12) . .
O32 Eu1 N4 119.57(14) . .
O3 Eu1 N4 66.11(12) . .
O32 Eu1 O60* 107.9(2) . .
O3 Eu1 O60* 165.49(19) . .
N4 Eu1 O60* 100.4(2) . .
O32 Eu1 O60 120.2(2) . .
O3 Eu1 O60 155.3(2) . .
N4 Eu1 O60 100.3(2) . .
O32 Eu1 C34 29.28(14) . .
O3 Eu1 C34 105.15(14) . .
N4 Eu1 C34 147.50(17) . .
O60* Eu1 C34 89.1(2) . .
O60 Eu1 C34 97.0(2) . .
O32 Eu1 N33 60.17(13) . .
O3 Eu1 N33 73.13(11) . .
N4 Eu1 N33 138.77(13) . .
O60* Eu1 N33 119.42(19) . .
O60 Eu1 N33 114.9(2) . .
C34 Eu1 N33 50.58(16) . .
O32 Eu1 C35 50.67(14) . .
O3 Eu1 C35 98.21(13) . .
N4 Eu1 C35 163.53(14) . .
O60* Eu1 C35 95.7(2) . .
O60 Eu1 C35 96.1(2) . .
C34 Eu1 C35 28.32(17) . .
N33 Eu1 C35 27.59(13) . .
O32 Eu1 C55 136.69(15) . .
O3 Eu1 C55 87.08(17) . .
N4 Eu1 C55 94.87(16) . .
O60* Eu1 C55 88.9(2) . .
O60 Eu1 C55 73.1(3) . .
C34 Eu1 C55 116.50(17) . .
N33 Eu1 C55 76.70(16) . .
C35 Eu1 C55 89.04(16) . .
O32 Eu1 Eu2 43.48(8) . .
O3 Eu1 Eu2 43.73(9) . .
N4 Eu1 Eu2 102.54(10) . .
O60* Eu1 Eu2 150.20(18) . .
O60 Eu1 Eu2 156.92(18) . .
C34 Eu1 Eu2 61.48(11) . .
N33 Eu1 Eu2 45.85(9) . .
C35 Eu1 Eu2 61.09(10) . .
C55 Eu1 Eu2 107.70(14) . .
O32 Eu2 O3 85.13(13) . .
O32 Eu2 N33 64.75(14) . .
O3 Eu2 N33 78.64(13) . .
O32 Eu2 C10 82.29(15) . 2_666
O3 Eu2 C10 127.11(14) . 2_666
N33 Eu2 C10 137.10(15) . 2_666
O32 Eu2 C9 99.92(15) . 2_666
O3 Eu2 C9 149.95(13) . 2_666
N33 Eu2 C9 130.40(15) . 2_666
C10 Eu2 C9 27.82(16) 2_666 2_666
O32 Eu2 C11 90.14(14) . 2_666
O3 Eu2 C11 101.43(15) . 2_666
N33 Eu2 C11 154.86(15) . 2_666
C10 Eu2 C11 28.08(16) 2_666 2_666
C9 Eu2 C11 49.37(16) 2_666 2_666
O32 Eu2 C5 115.40(13) . 2_666
O3 Eu2 C5 94.76(13) . 2_666
N33 Eu2 C5 173.39(15) . 2_666
C10 Eu2 C5 47.86(14) 2_666 2_666
C9 Eu2 C5 56.19(14) 2_666 2_666
C11 Eu2 C5 26.56(14) 2_666 2_666
O32 Eu2 C19 143.3(2) . .
O3 Eu2 C19 60.44(19) . .
N33 Eu2 C19 94.3(2) . .
C10 Eu2 C19 127.5(2) 2_666 .
C9 Eu2 C19 116.1(2) 2_666 .
C11 Eu2 C19 107.7(2) 2_666 .
C5 Eu2 C19 82.0(2) 2_666 .
O32 Eu2 C7 126.19(14) . 2_666
O3 Eu2 C7 135.74(12) . 2_666
N33 Eu2 C7 139.67(14) . 2_666
C10 Eu2 C7 46.84(15) 2_666 2_666
C9 Eu2 C7 26.54(14) 2_666 2_666
C11 Eu2 C7 54.72(14) 2_666 2_666
C5 Eu2 C7 46.17(13) 2_666 2_666
C19 Eu2 C7 89.6(2) . 2_666
O32 Eu2 C34 21.79(13) . .
O3 Eu2 C34 92.71(13) . .
N33 Eu2 C34 46.67(15) . .
C10 Eu2 C34 93.90(16) 2_666 .
C9 Eu2 C34 102.90(15) 2_666 .
C11 Eu2 C34 108.61(16) 2_666 .
C5 Eu2 C34 135.00(15) 2_666 .
C19 Eu2 C34 138.3(2) . .
C7 Eu2 C34 128.43(14) 2_666 .
O32 Eu2 Eu1 43.98(10) . .
O3 Eu2 Eu1 44.05(8) . .
N33 Eu2 Eu1 52.76(10) . .
C10 Eu2 Eu1 118.54(12) 2_666 .
C9 Eu2 Eu1 142.51(11) 2_666 .
C11 Eu2 Eu1 110.12(11) 2_666 .
C5 Eu2 Eu1 122.26(9) 2_666 .
C19 Eu2 Eu1 99.37(18) . .
C7 Eu2 Eu1 164.48(9) 2_666 .
C34 Eu2 Eu1 48.71(10) . .
C5 O3 Eu2 145.0(3) . .
C5 O3 Eu1 118.6(3) . .
Eu2 O3 Eu1 92.23(12) . .
C6 N4 C20 117.1(4) . .
C6 N4 Eu1 116.4(3) . .
C20 N4 Eu1 122.6(3) . .
O3 C5 C11 123.8(5) . .
O3 C5 C6 116.9(4) . .
C11 C5 C6 119.0(5) . .
O3 C5 Eu2 118.0(3) . 2_666
C11 C5 Eu2 71.0(3) . 2_666
C6 C5 Eu2 87.2(3) . 2_666
N4 C6 C7 125.2(5) . .
N4 C6 C5 117.5(4) . .
C7 C6 C5 117.3(4) . .
C9 C7 C6 122.2(5) . .
C9 C7 Eu2 68.6(3) . 2_666
C6 C7 Eu2 86.7(3) . 2_666
C9 C7 H8A 118.9 . .
C6 C7 H8A 118.9 . .
Eu2 C7 H8A 115.9 2_666 .
C10 C9 C7 117.8(5) . .
C10 C9 C12 120.2(5) . .
C7 C9 C12 122.0(5) . .
C10 C9 Eu2 73.5(3) . 2_666
C7 C9 Eu2 84.9(3) . 2_666
C12 C9 Eu2 112.9(3) . 2_666
C9 C10 C11 122.2(5) . .
C9 C10 Eu2 78.7(3) . 2_666
C11 C10 Eu2 79.8(3) . 2_666
C9 C10 H10A 118.9 . .
C11 C10 H10A 118.9 . .
Eu2 C10 H10A 112.7 2_666 .
C5 C11 C10 119.3(5) . .
C5 C11 C16 121.8(5) . .
C10 C11 C16 118.5(5) . .
C5 C11 Eu2 82.5(3) . 2_666
C10 C11 Eu2 72.1(3) . 2_666
C16 C11 Eu2 121.7(4) . 2_666
C15 C12 C14 108.7(6) . .
C15 C12 C13 108.7(5) . .
C14 C12 C13 108.0(5) . .
C15 C12 C9 112.5(5) . .
C14 C12 C9 109.2(5) . .
C13 C12 C9 109.7(5) . .
C12 C13 H13A 109.5 . .
C12 C13 H13B 109.5 . .
H13A C13 H13B 109.5 . .
C12 C13 H13C 109.5 . .
H13A C13 H13C 109.5 . .
H13B C13 H13C 109.5 . .
C12 C14 H14A 109.5 . .
C12 C14 H14B 109.5 . .
H14A C14 H14B 109.5 . .
C12 C14 H14C 109.5 . .
H14A C14 H14C 109.5 . .
H14B C14 H14C 109.5 . .
C12 C15 H15A 109.5 . .
C12 C15 H15B 109.5 . .
H15A C15 H15B 109.5 . .
C12 C15 H15C 109.5 . .
H15A C15 H15C 109.5 . .
H15B C15 H15C 109.5 . .
C18* C16 C19* 116.6(11) . .
C18* C16 C11 111.5(8) . .
C17 C16 C11 115.4(6) . .
C19* C16 C11 106.1(8) . .
C17 C16 C18 109.5(7) . .
C11 C16 C18 106.6(6) . .
C17 C16 C19 103.4(7) . .
C11 C16 C19 116.0(6) . .
C18 C16 C19 105.5(7) . .
C18* C16 C17* 108.5(10) . .
C19* C16 C17* 104.7(10) . .
C11 C16 C17* 109.1(7) . .
C16 C17 H17A 109.5 . .
C16 C17 H17B 109.5 . .
H17A C17 H17B 109.5 . .
C16 C17 H17C 109.5 . .
H17A C17 H17C 109.5 . .
H17B C17 H17C 109.5 . .
C16 C18 H18A 109.5 . .
C16 C18 H18B 109.5 . .
H18A C18 H18B 109.5 . .
C16 C18 H18C 109.5 . .
H18A C18 H18C 109.5 . .
H18B C18 H18C 109.5 . .
C16 C19 Eu2 125.7(5) . .
C16 C19 H19A 109.5 . .
Eu2 C19 H19A 46.9 . .
C16 C19 H19B 109.5 . .
Eu2 C19 H19B 124.1 . .
H19A C19 H19B 109.5 . .
C16 C19 H19C 109.5 . .
Eu2 C19 H19C 62.5 . .
H19A C19 H19C 109.5 . .
H19B C19 H19C 109.5 . .
C16 C17* H17D 109.5 . .
C16 C17* H17E 109.5 . .
H17D C17* H17E 109.5 . .
C16 C17* H17F 109.5 . .
H17D C17* H17F 109.5 . .
H17E C17* H17F 109.5 . .
C16 C18* H18D 109.5 . .
C16 C18* H18E 109.5 . .
H18D C18* H18E 109.5 . .
C16 C18* H18F 109.5 . .
H18D C18* H18F 109.5 . .
H18E C18* H18F 109.5 . .
C16 C19* H19D 109.5 . .
C16 C19* H19E 109.5 . .
H19D C19* H19E 109.5 . .
C16 C19* H19F 109.5 . .
H19D C19* H19F 109.5 . .
H19E C19* H19F 109.5 . .
C25 C20 C21 119.2(5) . .
C25 C20 N4 119.8(5) . .
C21 C20 N4 120.7(5) . .
C22 C21 C20 119.3(6) . .
C22 C21 C26 117.7(6) . .
C20 C21 C26 123.1(5) . .
C23 C22 C21 121.4(7) . .
C23 C22 H22A 119.3 . .
C21 C22 H22A 119.3 . .
C22 C23 C24 119.6(6) . .
C22 C23 H23A 120.2 . .
C24 C23 H23A 120.2 . .
C23 C24 C25 121.5(7) . .
C23 C24 H24A 119.2 . .
C25 C24 H24A 119.2 . .
C24 C25 C20 119.1(7) . .
C24 C25 C29 119.9(6) . .
C20 C25 C29 121.0(5) . .
C21 C26 C27 112.4(6) . .
C21 C26 C28 112.9(5) . .
C27 C26 C28 107.9(6) . .
C21 C26 H26A 107.8 . .
C27 C26 H26A 107.8 . .
C28 C26 H26A 107.8 . .
C26 C27 H27A 109.5 . .
C26 C27 H27B 109.5 . .
H27A C27 H27B 109.5 . .
C26 C27 H27C 109.5 . .
H27A C27 H27C 109.5 . .
H27B C27 H27C 109.5 . .
C26 C28 H28A 109.5 . .
C26 C28 H28B 109.5 . .
H28A C28 H28B 109.5 . .
C26 C28 H28C 109.5 . .
H28A C28 H28C 109.5 . .
H28B C28 H28C 109.5 . .
C31 C29 C25 110.6(9) . .
C30* C29 C25 113.2(8) . .
C31 C29 C30 115.7(11) . .
C25 C29 C30 110.3(8) . .
C30* C29 C31* 108.0(9) . .
C25 C29 C31* 112.3(7) . .
C31 C29 H29A 106.5 . .
C25 C29 H29A 106.5 . .
C30 C29 H29A 106.5 . .
C30* C29 H29B 107.7 . .
C25 C29 H29B 107.7 . .
C31* C29 H29B 107.7 . .
C29 C30 H30A 109.5 . .
C29 C30 H30B 109.5 . .
H30A C30 H30B 109.5 . .
C29 C30 H30C 109.5 . .
H30A C30 H30C 109.5 . .
H30B C30 H30C 109.5 . .
C29 C31 H31A 109.5 . .
C29 C31 H31B 109.5 . .
H31A C31 H31B 109.5 . .
C29 C31 H31C 109.5 . .
H31A C31 H31C 109.5 . .
H31B C31 H31C 109.5 . .
C29 C30* H30D 109.5 . .
C29 C30* H30E 109.5 . .
H30D C30* H30E 109.5 . .
C29 C30* H30F 109.5 . .
H30D C30* H30F 109.5 . .
H30E C30* H30F 109.5 . .
C29 C31* H31D 109.5 . .
C29 C31* H31E 109.5 . .
H31D C31* H31E 109.5 . .
C29 C31* H31F 109.5 . .
H31D C31* H31F 109.5 . .
H31E C31* H31F 109.5 . .
C34 O32 Eu2 117.4(3) . .
C34 O32 Eu1 90.5(3) . .
Eu2 O32 Eu1 92.54(14) . .
C35 N33 C48 119.3(4) . .
C35 N33 Eu2 112.3(4) . .
C48 N33 Eu2 123.9(3) . .
C35 N33 Eu1 83.4(3) . .
C48 N33 Eu1 123.8(3) . .
Eu2 N33 Eu1 81.40(12) . .
O32 C34 C39 123.1(6) . .
O32 C34 C35 116.2(5) . .
C39 C34 C35 120.7(5) . .
O32 C34 Eu1 60.3(3) . .
C39 C34 Eu1 124.5(4) . .
C35 C34 Eu1 83.5(3) . .
O32 C34 Eu2 40.8(2) . .
C39 C34 Eu2 154.2(5) . .
C35 C34 Eu2 79.6(3) . .
Eu1 C34 Eu2 69.81(13) . .
C36 C35 N33 125.3(5) . .
C36 C35 C34 118.6(5) . .
N33 C35 C34 116.1(5) . .
C36 C35 Eu1 132.9(4) . .
N33 C35 Eu1 69.0(3) . .
C34 C35 Eu1 68.2(3) . .
C37 C36 C35 123.5(6) . .
C37 C36 H36A 118.2 . .
C35 C36 H36A 118.2 . .
C36 C37 C38 116.4(6) . .
C36 C37 C40 123.2(7) . .
C38 C37 C40 120.3(6) . .
C39 C38 C37 123.6(6) . .
C39 C38 H38A 118.2 . .
C37 C38 H38A 118.2 . .
C34 C39 C38 117.1(6) . .
C34 C39 C44 122.1(5) . .
C38 C39 C44 120.8(6) . .
C42* C40 C41* 108.2(10) . .
C43 C40 C37 113.8(10) . .
C42* C40 C37 112.3(9) . .
C41* C40 C37 115.9(8) . .
C42* C40 C43* 108.5(10) . .
C41* C40 C43* 106.8(9) . .
C37 C40 C43* 104.8(7) . .
C43 C40 C41 109.7(13) . .
C37 C40 C41 110.3(10) . .
C43 C40 C42 105.7(13) . .
C37 C40 C42 102.9(9) . .
C41 C40 C42 114.3(12) . .
C40 C41 H41A 109.5 . .
C40 C41 H41B 109.5 . .
H41A C41 H41B 109.5 . .
C40 C41 H41C 109.5 . .
H41A C41 H41C 109.5 . .
H41B C41 H41C 109.5 . .
C40 C42 H42A 109.5 . .
C40 C42 H42B 109.5 . .
H42A C42 H42B 109.5 . .
C40 C42 H42C 109.5 . .
H42A C42 H42C 109.5 . .
H42B C42 H42C 109.5 . .
C40 C43 H43A 109.5 . .
C40 C43 H43B 109.5 . .
H43A C43 H43B 109.5 . .
C40 C43 H43C 109.5 . .
H43A C43 H43C 109.5 . .
H43B C43 H43C 109.5 . .
C40 C41* H41D 109.5 . .
C40 C41* H41E 109.5 . .
H41D C41* H41E 109.5 . .
C40 C41* H41F 109.5 . .
H41D C41* H41F 109.5 . .
H41E C41* H41F 109.5 . .
C40 C42* H42D 109.5 . .
C40 C42* H42E 109.5 . .
H42D C42* H42E 109.5 . .
C40 C42* H42F 109.5 . .
H42D C42* H42F 109.5 . .
H42E C42* H42F 109.5 . .
C40 C43* H43D 109.5 . .
C40 C43* H43E 109.5 . .
H43D C43* H43E 109.5 . .
C40 C43* H43F 109.5 . .
H43D C43* H43F 109.5 . .
H43E C43* H43F 109.5 . .
C39 C44 C46 110.6(6) . .
C39 C44 C45 110.3(7) . .
C46 C44 C45 109.3(6) . .
C39 C44 C47 112.5(6) . .
C46 C44 C47 107.3(6) . .
C45 C44 C47 106.7(6) . .
C44 C45 H45A 109.5 . .
C44 C45 H45B 109.5 . .
H45A C45 H45B 109.5 . .
C44 C45 H45C 109.5 . .
H45A C45 H45C 109.5 . .
H45B C45 H45C 109.5 . .
C44 C46 H46A 109.5 . .
C44 C46 H46B 109.5 . .
H46A C46 H46B 109.5 . .
C44 C46 H46C 109.5 . .
H46A C46 H46C 109.5 . .
H46B C46 H46C 109.5 . .
C44 C47 H47A 109.5 . .
C44 C47 H47B 109.5 . .
H47A C47 H47B 109.5 . .
C44 C47 H47C 109.5 . .
H47A C47 H47C 109.5 . .
H47B C47 H47C 109.5 . .
C49 C48 N33 122.1(5) . .
C49 C48 C53 117.6(6) . .
N33 C48 C53 120.2(5) . .
C50 C49 C48 120.0(6) . .
C50 C49 C54 119.3(6) . .
C48 C49 C54 120.5(6) . .
C51 C50 C49 121.7(6) . .
C51 C50 H50A 119.1 . .
C49 C50 H50A 119.1 . .
C52 C51 C50 118.3(6) . .
C52 C51 H51A 120.9 . .
C50 C51 H51A 120.9 . .
C53 C52 C51 121.9(6) . .
C53 C52 H52A 119.1 . .
C51 C52 H52A 119.1 . .
C52 C53 C48 120.0(5) . .
C52 C53 C57 118.7(5) . .
C48 C53 C57 121.3(5) . .
C49 C54 C55 110.2(5) . .
C49 C54 C56 112.7(6) . .
C55 C54 C56 110.7(6) . .
C49 C54 H54A 107.7 . .
C55 C54 H54A 107.7 . .
C56 C54 H54A 107.7 . .
C54 C55 Eu1 84.1(5) . .
C54 C55 H55A 109.5 . .
Eu1 C55 H55A 53.4 . .
C54 C55 H55B 109.5 . .
Eu1 C55 H55B 161.9 . .
H55A C55 H55B 109.5 . .
C54 C55 H55C 109.5 . .
Eu1 C55 H55C 75.5 . .
H55A C55 H55C 109.5 . .
H55B C55 H55C 109.5 . .
C54 C56 H56A 109.5 . .
C54 C56 H56B 109.5 . .
H56A C56 H56B 109.5 . .
C54 C56 H56C 109.5 . .
H56A C56 H56C 109.5 . .
H56B C56 H56C 109.5 . .
C59* C57 C53 115.6(8) . .
C53 C57 C58 113.8(6) . .
C59* C57 C58* 110.2(11) . .
C53 C57 C58* 112.7(8) . .
C53 C57 C59 108.8(6) . .
C58 C57 C59 103.1(7) . .
C53 C57 H57A 110.3 . .
C58 C57 H57A 110.3 . .
C59 C57 H57A 110.3 . .
C59* C57 H57B 105.8 . .
C53 C57 H57B 105.8 . .
C58* C57 H57B 105.8 . .
C57 C58 H58A 109.5 . .
C57 C58 H58B 109.5 . .
H58A C58 H58B 109.5 . .
C57 C58 H58C 109.5 . .
H58A C58 H58C 109.5 . .
H58B C58 H58C 109.5 . .
C57 C59 H59A 109.5 . .
C57 C59 H59B 109.5 . .
H59A C59 H59B 109.5 . .
C57 C59 H59C 109.5 . .
H59A C59 H59C 109.5 . .
H59B C59 H59C 109.5 . .
C57 C58* H58D 109.5 . .
C57 C58* H58E 109.5 . .
H58D C58* H58E 109.5 . .
C57 C58* H58F 109.5 . .
H58D C58* H58F 109.5 . .
H58E C58* H58F 109.5 . .
C57 C59* H59D 109.5 . .
C57 C59* H59E 109.5 . .
H59D C59* H59E 109.5 . .
C57 C59* H59F 109.5 . .
H59D C59* H59F 109.5 . .
H59E C59* H59F 109.5 . .
C61 O60 C64 108.7(11) . .
C61 O60 Eu1 131.1(9) . .
C64 O60 Eu1 117.6(7) . .
O60 C61 C62 105.6(15) . .
O60 C61 H61A 110.6 . .
C62 C61 H61A 110.6 . .
O60 C61 H61B 110.6 . .
C62 C61 H61B 110.6 . .
H61A C61 H61B 108.7 . .
C61 C62 C63 109.3(18) . .
C61 C62 H62A 109.8 . .
C63 C62 H62A 109.8 . .
C61 C62 H62B 109.8 . .
C63 C62 H62B 109.8 . .
H62A C62 H62B 108.3 . .
C64 C63 C62 102.9(14) . .
C64 C63 H63A 111.2 . .
C62 C63 H63A 111.2 . .
C64 C63 H63B 111.2 . .
C62 C63 H63B 111.2 . .
H63A C63 H63B 109.1 . .
O60 C64 C63 106.2(11) . .
O60 C64 H64A 110.5 . .
C63 C64 H64A 110.5 . .
O60 C64 H64B 110.5 . .
C63 C64 H64B 110.5 . .
H64A C64 H64B 108.7 . .
C61* O60* C64* 104.8(9) . .
C61* O60* Eu1 133.4(8) . .
C64* O60* Eu1 121.0(6) . .
O60* C61* C62* 98.6(11) . .
O60* C61* H61C 112.0 . .
C62* C61* H61C 112.0 . .
O60* C61* H61D 112.0 . .
C62* C61* H61D 112.0 . .
H61C C61* H61D 109.7 . .
C63* C62* C61* 102.8(12) . .
C63* C62* H62C 111.2 . .
C61* C62* H62C 111.2 . .
C63* C62* H62D 111.2 . .
C61* C62* H62D 111.2 . .
H62C C62* H62D 109.1 . .
C62* C63* C64* 104.4(11) . .
C62* C63* H63C 110.9 . .
C64* C63* H63C 110.9 . .
C62* C63* H63D 110.9 . .
C64* C63* H63D 110.9 . .
H63C C63* H63D 108.9 . .
O60* C64* C63* 106.1(9) . .
O60* C64* H64C 110.5 . .
C63* C64* H64C 110.5 . .
O60* C64* H64D 110.5 . .
C63* C64* H64D 110.5 . .
H64C C64* H64D 108.7 . .
C66 C65 H65A 109.5 . .
C66 C65 H65B 109.5 . .
H65A C65 H65B 109.5 . .
C66 C65 H65C 109.5 . .
H65A C65 H65C 109.5 . .
H65B C65 H65C 109.5 . .
C65 C66 C67 124.6(14) . .
C65 C66 H66A 106.2 . .
C67 C66 H66A 106.2 . .
C65 C66 H66B 106.2 . .
C67 C66 H66B 106.2 . .
H66A C66 H66B 106.4 . .
C67 C67 C66 128(2) 2_565 .
C67 C67 H67A 105.3 2_565 .
C66 C67 H67A 105.3 . .
C67 C67 H67B 105.3 2_565 .
C66 C67 H67B 105.3 . .
H67A C67 H67B 106.0 . .
loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_site_symmetry_2
Eu1 O32 2.428(4) .
Eu1 O3 2.430(3) .
Eu1 N4 2.498(4) .
Eu1 O60* 2.532(8) .
Eu1 O60 2.608(8) .
Eu1 C34 2.796(6) .
Eu1 N33 2.812(4) .
Eu1 C35 2.992(5) .
Eu1 C55 3.074(9) .
Eu1 Eu2 3.4927(5) .
Eu2 O32 2.406(3) .
Eu2 O3 2.416(4) .
Eu2 N33 2.534(4) .
Eu2 C10 2.853(6) 2_666
Eu2 C9 2.917(6) 2_666
Eu2 C11 2.951(5) 2_666
Eu2 C5 3.094(5) 2_666
Eu2 C19 3.118(10) .
Eu2 C7 3.121(6) 2_666
Eu2 C34 3.270(5) .
O3 C5 1.332(6) .
N4 C6 1.361(6) .
N4 C20 1.424(7) .
C5 C11 1.395(7) .
C5 C6 1.445(7) .
C6 C7 1.410(7) .
C7 C9 1.400(7) .
C7 H8A 0.9500 .
C9 C10 1.388(8) .
C9 C12 1.541(7) .
C10 C11 1.411(8) .
C10 H10A 0.9500 .
C11 C16 1.540(7) .
C12 C15 1.515(9) .
C12 C14 1.532(9) .
C12 C13 1.532(8) .
C13 H13A 0.9800 .
C13 H13B 0.9800 .
C13 H13C 0.9800 .
C14 H14A 0.9800 .
C14 H14B 0.9800 .
C14 H14C 0.9800 .
C15 H15A 0.9800 .
C15 H15B 0.9800 .
C15 H15C 0.9800 .
C16 C18* 1.470(18) .
C16 C17 1.491(11) .
C16 C19* 1.495(19) .
C16 C18 1.548(12) .
C16 C19 1.571(11) .
C16 C17* 1.607(17) .
C17 H17A 0.9800 .
C17 H17B 0.9800 .
C17 H17C 0.9800 .
C18 H18A 0.9800 .
C18 H18B 0.9800 .
C18 H18C 0.9800 .
C19 H19A 0.9800 .
C19 H19B 0.9800 .
C19 H19C 0.9800 .
C17* H17D 0.9800 .
C17* H17E 0.9800 .
C17* H17F 0.9800 .
C18* H18D 0.9800 .
C18* H18E 0.9800 .
C18* H18F 0.9800 .
C19* H19D 0.9800 .
C19* H19E 0.9800 .
C19* H19F 0.9800 .
C20 C25 1.403(8) .
C20 C21 1.411(9) .
C21 C22 1.394(8) .
C21 C26 1.506(9) .
C22 C23 1.359(11) .
C22 H22A 0.9500 .
C23 C24 1.378(11) .
C23 H23A 0.9500 .
C24 C25 1.389(8) .
C24 H24A 0.9500 .
C25 C29 1.502(9) .
C26 C27 1.532(9) .
C26 C28 1.536(9) .
C26 H26A 1.0000 .
C27 H27A 0.9800 .
C27 H27B 0.9800 .
C27 H27C 0.9800 .
C28 H28A 0.9800 .
C28 H28B 0.9800 .
C28 H28C 0.9800 .
C29 C31 1.392(17) .
C29 C30* 1.446(15) .
C29 C30 1.557(19) .
C29 C31* 1.608(14) .
C29 H29A 1.0000 .
C29 H29B 1.0000 .
C30 H30A 0.9800 .
C30 H30B 0.9800 .
C30 H30C 0.9800 .
C31 H31A 0.9800 .
C31 H31B 0.9800 .
C31 H31C 0.9800 .
C30* H30D 0.9800 .
C30* H30E 0.9800 .
C30* H30F 0.9800 .
C31* H31D 0.9800 .
C31* H31E 0.9800 .
C31* H31F 0.9800 .
O32 C34 1.367(6) .
N33 C35 1.395(7) .
N33 C48 1.409(7) .
C34 C39 1.397(8) .
C34 C35 1.429(8) .
C35 C36 1.392(7) .
C36 C37 1.371(8) .
C36 H36A 0.9500 .
C37 C38 1.416(10) .
C37 C40 1.514(8) .
C38 C39 1.413(8) .
C38 H38A 0.9500 .
C39 C44 1.521(9) .
C40 C43 1.36(2) .
C40 C42* 1.436(17) .
C40 C41* 1.448(15) .
C40 C43* 1.638(15) .
C40 C41 1.66(2) .
C40 C42 1.71(2) .
C41 H41A 0.9800 .
C41 H41B 0.9800 .
C41 H41C 0.9800 .
C42 H42A 0.9800 .
C42 H42B 0.9800 .
C42 H42C 0.9800 .
C43 H43A 0.9800 .
C43 H43B 0.9800 .
C43 H43C 0.9800 .
C41* H41D 0.9800 .
C41* H41E 0.9800 .
C41* H41F 0.9800 .
C42* H42D 0.9800 .
C42* H42E 0.9800 .
C42* H42F 0.9800 .
C43* H43D 0.9800 .
C43* H43E 0.9800 .
C43* H43F 0.9800 .
C44 C46 1.523(10) .
C44 C45 1.527(11) .
C44 C47 1.540(8) .
C45 H45A 0.9800 .
C45 H45B 0.9800 .
C45 H45C 0.9800 .
C46 H46A 0.9800 .
C46 H46B 0.9800 .
C46 H46C 0.9800 .
C47 H47A 0.9800 .
C47 H47B 0.9800 .
C47 H47C 0.9800 .
C48 C49 1.408(8) .
C48 C53 1.411(8) .
C49 C50 1.379(9) .
C49 C54 1.511(9) .
C50 C51 1.378(10) .
C50 H50A 0.9500 .
C51 C52 1.376(9) .
C51 H51A 0.9500 .
C52 C53 1.375(8) .
C52 H52A 0.9500 .
C53 C57 1.510(8) .
C54 C55 1.525(8) .
C54 C56 1.531(9) .
C54 H54A 1.0000 .
C55 H55A 0.9800 .
C55 H55B 0.9800 .
C55 H55C 0.9800 .
C56 H56A 0.9800 .
C56 H56B 0.9800 .
C56 H56C 0.9800 .
C57 C59* 1.398(16) .
C57 C58 1.529(13) .
C57 C58* 1.543(18) .
C57 C59 1.615(12) .
C57 H57A 1.0000 .
C57 H57B 1.0000 .
C58 H58A 0.9800 .
C58 H58B 0.9800 .
C58 H58C 0.9800 .
C59 H59A 0.9800 .
C59 H59B 0.9800 .
C59 H59C 0.9800 .
C58* H58D 0.9800 .
C58* H58E 0.9800 .
C58* H58F 0.9800 .
C59* H59D 0.9800 .
C59* H59E 0.9800 .
C59* H59F 0.9800 .
O60 C61 1.37(2) .
O60 C64 1.435(15) .
C61 C62 1.45(3) .
C61 H61A 0.9900 .
C61 H61B 0.9900 .
C62 C63 1.46(3) .
C62 H62A 0.9900 .
C62 H62B 0.9900 .
C63 C64 1.46(2) .
C63 H63A 0.9900 .
C63 H63B 0.9900 .
C64 H64A 0.9900 .
C64 H64B 0.9900 .
O60* C61* 1.436(18) .
O60* C64* 1.446(13) .
C61* C62* 1.59(2) .
C61* H61C 0.9900 .
C61* H61D 0.9900 .
C62* C63* 1.484(19) .
C62* H62C 0.9900 .
C62* H62D 0.9900 .
C63* C64* 1.518(18) .
C63* H63C 0.9900 .
C63* H63D 0.9900 .
C64* H64C 0.9900 .
C64* H64D 0.9900 .
C65 C66 1.35(2) .
C65 H65A 0.9800 .
C65 H65B 0.9800 .
C65 H65C 0.9800 .
C66 C67 1.53(2) .
C66 H66A 0.9900 .
C66 H66B 0.9900 .
C67 C67 1.19(3) 2_565
C67 H67A 0.9900 .
C67 H67B 0.9900 .
