#------------------------------------------------------------------------------
#$Date: 2016-03-21 19:18:39 +0200 (Mon, 21 Mar 2016) $
#$Revision: 178844 $
#$URL: svn://www.crystallography.net/cod/cif/4/10/98/4109885.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_4109885
loop_
_publ_author_name
'Michael Seitz'
'Allen G. Oliver'
'Kenneth N. Raymond'
_publ_section_title
;
 The Lanthanide Contraction Revisited
;
_journal_name_full               'Journal of the American Chemical Society'
_journal_page_first              11153
_journal_page_last               11160
_journal_paper_doi               10.1021/ja072750f
_journal_volume                  129
_journal_year                    2007
_chemical_formula_sum            'C36 H34 Eu N7 O11'
_chemical_formula_weight         892.66
_chemical_name_systematic
;
 ?
;
_space_group_IT_number           14
_symmetry_cell_setting           monoclinic
_symmetry_space_group_name_Hall  '-P 2ybc'
_symmetry_space_group_name_H-M   'P 1 21/c 1'
_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                 96.470(4)
_cell_angle_gamma                90.00
_cell_formula_units_Z            4
_cell_length_a                   12.380(3)
_cell_length_b                   26.314(5)
_cell_length_c                   10.612(2)
_cell_measurement_reflns_used    822
_cell_measurement_temperature    158(2)
_cell_measurement_theta_max      15.66
_cell_measurement_theta_min      2.48
_cell_volume                     3435.0(12)
_computing_cell_refinement       'SAINT 7.07B (Bruker, 2006)'
_computing_data_collection       'APEX V6.5.31 (Bruker, 2006)'
_computing_data_reduction        'SAINT 7.07B (Bruker, 2006)'
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 1997)'
_computing_structure_solution    'SIR92 (Altomare et al., 1993)'
_diffrn_ambient_temperature      158(2)
_diffrn_detector_area_resol_mean 83.66
_diffrn_measured_fraction_theta_full 0.988
_diffrn_measured_fraction_theta_max 0.988
_diffrn_measurement_device_type  'Bruker APEX-I'
_diffrn_measurement_method       ω/2θ-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  0.0992
_diffrn_reflns_av_sigmaI/netI    0.1441
_diffrn_reflns_limit_h_max       11
_diffrn_reflns_limit_h_min       -15
_diffrn_reflns_limit_k_max       32
_diffrn_reflns_limit_k_min       -29
_diffrn_reflns_limit_l_max       13
_diffrn_reflns_limit_l_min       -13
_diffrn_reflns_number            19433
_diffrn_reflns_theta_full        26.37
_diffrn_reflns_theta_max         26.37
_diffrn_reflns_theta_min         1.55
_diffrn_standards_decay_%        0
_diffrn_standards_number         0
_exptl_absorpt_coefficient_mu    1.902
_exptl_absorpt_correction_T_max  0.927
_exptl_absorpt_correction_T_min  0.749
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   '(SADABS; Bruker, 2005)'
_exptl_crystal_colour            colorless
_exptl_crystal_density_diffrn    1.726
_exptl_crystal_description       plate
_exptl_crystal_F_000             1800
_exptl_crystal_size_max          0.15
_exptl_crystal_size_mid          0.07
_exptl_crystal_size_min          0.04
_refine_diff_density_max         1.360
_refine_diff_density_min         -0.751
_refine_diff_density_rms         0.163
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.008
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     496
_refine_ls_number_reflns         6936
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      1.008
_refine_ls_R_factor_all          0.1120
_refine_ls_R_factor_gt           0.0584
_refine_ls_shift/su_max          0.001
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'calc w=1/[σ²(Fo²)+(0.0359P)²+0.0000P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1183
_refine_ls_wR_factor_ref         0.1345
_reflns_number_gt                4280
_reflns_number_total             6936
_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            ja072750fsi20070419_055759.cif
_cod_data_source_block           tren_eu
_cod_database_code               4109885
loop_
_symmetry_equiv_pos_as_xyz
'x, y, z'
'-x, y+1/2, -z+1/2'
'-x, -y, -z'
'x, -y-1/2, 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
C1 C 0.8985(7) 0.8483(3) -0.1973(7) 0.0297(19) Uani 1 1 d .
H25A H 0.9196 0.8310 -0.2714 0.036 Uiso 1 1 calc R
H25B H 0.9343 0.8812 -0.1916 0.036 Uiso 1 1 calc R
C2 C 0.7762(7) 0.8562(3) -0.2133(6) 0.034(2) Uani 1 1 d .
H26A H 0.7537 0.8673 -0.2994 0.041 Uiso 1 1 calc R
H26B H 0.7410 0.8239 -0.2012 0.041 Uiso 1 1 calc R
C3 C 0.6950(6) 0.9368(3) -0.1598(7) 0.0280(19) Uani 1 1 d .
C4 C 0.6671(6) 0.9727(3) -0.0596(7) 0.0212(17) Uani 1 1 d .
C5 C 0.6550(6) 1.0232(3) -0.0853(7) 0.0267(19) Uani 1 1 d .
H29 H 0.6684 1.0352 -0.1644 0.032 Uiso 1 1 calc R
C6 C 0.6226(6) 1.0579(3) 0.0050(7) 0.0233(17) Uani 1 1 d .
C7 C 0.6099(7) 1.1103(3) -0.0202(7) 0.035(2) Uani 1 1 d .
H31 H 0.6261 1.1233 -0.0974 0.042 Uiso 1 1 calc R
C8 C 0.5744(8) 1.1420(3) 0.0674(8) 0.041(2) Uani 1 1 d .
H32 H 0.5659 1.1764 0.0498 0.050 Uiso 1 1 calc R
C9 C 0.5510(7) 1.1231(3) 0.1816(8) 0.037(2) Uani 1 1 d .
H33 H 0.5246 1.1451 0.2395 0.044 Uiso 1 1 calc R
C10 C 0.5657(7) 1.0721(3) 0.2139(7) 0.031(2) Uani 1 1 d .
H34 H 0.5513 1.0601 0.2927 0.038 Uiso 1 1 calc R
C11 C 0.6026(6) 1.0397(3) 0.1250(6) 0.0192(16) Uani 1 1 d .
C12 C 0.6213(6) 0.9874(3) 0.1553(7) 0.0233(18) Uani 1 1 d .
C13 C 1.0503(7) 0.8297(3) -0.0441(8) 0.036(2) Uani 1 1 d .
H1A H 1.0882 0.8311 -0.1193 0.043 Uiso 1 1 calc R
H1B H 1.0816 0.8021 0.0084 0.043 Uiso 1 1 calc R
C14 C 1.0695(7) 0.8781(3) 0.0268(8) 0.035(2) Uani 1 1 d .
H2A H 1.1469 0.8851 0.0369 0.042 Uiso 1 1 calc R
H2B H 1.0340 0.9054 -0.0236 0.042 Uiso 1 1 calc R
C15 C 1.0989(7) 0.8857(3) 0.2596(8) 0.0324(19) Uani 1 1 d .
C16 C 1.0500(7) 0.8984(3) 0.3794(7) 0.0288(19) Uani 1 1 d .
C17 C 1.1195(7) 0.9156(3) 0.4789(8) 0.034(2) Uani 1 1 d .
H5 H 1.1941 0.9124 0.4773 0.040 Uiso 1 1 calc R
C18 C 1.0776(7) 0.9390(3) 0.5876(7) 0.034(2) Uani 1 1 d .
C19 C 1.1481(7) 0.9564(3) 0.6901(8) 0.041(2) Uani 1 1 d .
H7 H 1.2228 0.9516 0.6930 0.050 Uiso 1 1 calc R
C20 C 1.1037(8) 0.9815(3) 0.7890(8) 0.047(3) Uani 1 1 d .
H8 H 1.1496 0.9927 0.8588 0.057 Uiso 1 1 calc R
C21 C 0.9950(7) 0.9896(3) 0.7849(7) 0.035(2) Uani 1 1 d .
H9 H 0.9677 1.0071 0.8506 0.042 Uiso 1 1 calc R
C22 C 0.9243(7) 0.9719(3) 0.6832(7) 0.0275(19) Uani 1 1 d .
H10 H 0.8500 0.9776 0.6805 0.033 Uiso 1 1 calc R
C23 C 0.9669(7) 0.9450(3) 0.5831(6) 0.0241(18) Uani 1 1 d .
C24 C 0.8941(7) 0.9256(3) 0.4803(7) 0.0227(17) Uani 1 1 d .
C25 C 0.9184(7) 0.7636(3) -0.1065(7) 0.031(2) Uani 1 1 d .
H13A H 0.9807 0.7499 -0.1429 0.037 Uiso 1 1 calc R
H13B H 0.8547 0.7587 -0.1674 0.037 Uiso 1 1 calc R
C26 C 0.9038(6) 0.7353(3) 0.0120(7) 0.0278(19) Uani 1 1 d .
H14A H 0.9048 0.6991 -0.0050 0.033 Uiso 1 1 calc R
H14B H 0.9641 0.7429 0.0757 0.033 Uiso 1 1 calc R
C27 C 0.7139(6) 0.7206(3) 0.0354(6) 0.0201(17) Uani 1 1 d .
C28 C 0.6100(6) 0.7375(3) 0.0850(6) 0.0226(17) Uani 1 1 d .
C29 C 0.5170(7) 0.7111(3) 0.0544(6) 0.0255(18) Uani 1 1 d .
H17 H 0.5188 0.6832 0.0010 0.031 Uiso 1 1 calc R
C30 C 0.4170(6) 0.7237(3) 0.0993(6) 0.0222(17) Uani 1 1 d .
C31 C 0.3220(7) 0.6953(3) 0.0700(7) 0.0290(19) Uani 1 1 d .
H19 H 0.3223 0.6675 0.0162 0.035 Uiso 1 1 calc R
C32 C 0.2306(8) 0.7080(3) 0.1187(8) 0.037(2) Uani 1 1 d .
H20 H 0.1685 0.6883 0.0998 0.045 Uiso 1 1 calc R
C33 C 0.2272(7) 0.7510(3) 0.1990(8) 0.040(2) Uani 1 1 d .
H21 H 0.1632 0.7598 0.2318 0.048 Uiso 1 1 calc R
C34 C 0.3206(6) 0.7798(3) 0.2279(7) 0.0291(19) Uani 1 1 d .
H22 H 0.3198 0.8080 0.2806 0.035 Uiso 1 1 calc R
C35 C 0.4154(6) 0.7662(3) 0.1775(6) 0.0234(18) Uani 1 1 d .
C36 C 0.5125(6) 0.7970(3) 0.2076(6) 0.0186(16) Uani 1 1 d .
N1 N 0.9350(5) 0.8184(2) -0.0830(6) 0.0289(16) Uani 1 1 d .
N2 N 0.7396(5) 0.8930(2) -0.1259(5) 0.0306(16) Uani 1 1 d .
H6 H 0.7477 0.8856 -0.0464 0.037 Uiso 1 1 calc R
N3 N 0.6548(5) 0.9563(2) 0.0648(5) 0.0231(14) Uani 1 1 d .
N4 N 1.0304(5) 0.8788(2) 0.1536(6) 0.0312(16) Uani 1 1 d .
H2 H 0.9623 0.8746 0.1595 0.037 Uiso 1 1 calc R
N5 N 0.9382(5) 0.9025(2) 0.3859(5) 0.0245(15) Uani 1 1 d .
N6 N 0.8030(5) 0.7482(2) 0.0613(5) 0.0244(15) Uani 1 1 d .
H4 H 0.8009 0.7746 0.1089 0.029 Uiso 1 1 calc R
N7 N 0.6059(5) 0.7804(2) 0.1625(5) 0.0218(15) Uani 1 1 d .
O1 O 0.6758(5) 0.9507(2) -0.2730(5) 0.0356(14) Uani 1 1 d .
O2 O 0.6758(4) 0.90715(18) 0.0997(4) 0.0274(13) Uani 1 1 d .
O3 O 0.6124(4) 0.96790(18) 0.2637(4) 0.0261(12) Uani 1 1 d .
O4 O 1.1978(5) 0.8853(2) 0.2630(6) 0.0491(16) Uani 1 1 d .
O5 O 0.8664(4) 0.88138(19) 0.2929(4) 0.0287(12) Uani 1 1 d .
O6 O 0.7906(4) 0.92855(19) 0.4747(4) 0.0271(12) Uani 1 1 d .
O7 O 0.7131(4) 0.68099(18) -0.0251(4) 0.0244(12) Uani 1 1 d .
O8 O 0.6965(4) 0.80899(18) 0.1949(4) 0.0237(12) Uani 1 1 d .
O9 O 0.5170(4) 0.83702(17) 0.2738(4) 0.0231(12) Uani 1 1 d .
O10 O 0.5658(4) 0.91053(19) 0.4857(4) 0.0286(13) Uani 1 1 d .
O11 O 0.3778(6) 0.9697(3) 0.4686(8) 0.093(3) Uani 1 1 d .
Eu1 Eu 0.67844(3) 0.884468(14) 0.31524(3) 0.02001(13) Uani 1 1 d .
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
N1 C1 C2 112.0(6) . .
N1 C1 H25A 109.2 . .
C2 C1 H25A 109.2 . .
N1 C1 H25B 109.2 . .
C2 C1 H25B 109.2 . .
H25A C1 H25B 107.9 . .
N2 C2 C1 113.5(6) . .
N2 C2 H26A 108.9 . .
C1 C2 H26A 108.9 . .
N2 C2 H26B 108.9 . .
C1 C2 H26B 108.9 . .
H26A C2 H26B 107.7 . .
O1 C3 N2 123.4(7) . .
O1 C3 C4 117.6(7) . .
N2 C3 C4 119.0(6) . .
C5 C4 N3 117.6(7) . .
C5 C4 C3 120.3(7) . .
N3 C4 C3 122.0(6) . .
C4 C5 C6 121.9(7) . .
C4 C5 H29 119.0 . .
C6 C5 H29 119.0 . .
C11 C6 C7 118.5(7) . .
C11 C6 C5 119.0(7) . .
C7 C6 C5 122.5(7) . .
C8 C7 C6 120.6(7) . .
C8 C7 H31 119.7 . .
C6 C7 H31 119.7 . .
C7 C8 C9 120.0(8) . .
C7 C8 H32 120.0 . .
C9 C8 H32 120.0 . .
C8 C9 C10 122.1(8) . .
C8 C9 H33 119.0 . .
C10 C9 H33 119.0 . .
C11 C10 C9 118.0(7) . .
C11 C10 H34 121.0 . .
C9 C10 H34 121.0 . .
C10 C11 C6 120.7(7) . .
C10 C11 C12 119.9(7) . .
C6 C11 C12 119.4(7) . .
O3 C12 N3 117.4(7) . .
O3 C12 C11 124.2(7) . .
N3 C12 C11 118.4(7) . .
O3 C12 Eu1 39.2(3) . .
N3 C12 Eu1 78.6(4) . .
C11 C12 Eu1 161.3(5) . .
N1 C13 C14 114.3(7) . .
N1 C13 H1A 108.7 . .
C14 C13 H1A 108.7 . .
N1 C13 H1B 108.7 . .
C14 C13 H1B 108.7 . .
H1A C13 H1B 107.6 . .
N4 C14 C13 114.9(6) . .
N4 C14 H2A 108.5 . .
C13 C14 H2A 108.5 . .
N4 C14 H2B 108.5 . .
C13 C14 H2B 108.5 . .
H2A C14 H2B 107.5 . .
O4 C15 N4 124.1(8) . .
O4 C15 C16 118.3(7) . .
N4 C15 C16 117.5(7) . .
C17 C16 N5 118.6(7) . .
C17 C16 C15 116.7(8) . .
N5 C16 C15 123.6(7) . .
C16 C17 C18 120.4(8) . .
C16 C17 H5 119.8 . .
C18 C17 H5 119.8 . .
C23 C18 C19 121.5(8) . .
C23 C18 C17 117.7(7) . .
C19 C18 C17 120.8(8) . .
C18 C19 C20 118.3(9) . .
C18 C19 H7 120.8 . .
C20 C19 H7 120.8 . .
C21 C20 C19 121.4(8) . .
C21 C20 H8 119.3 . .
C19 C20 H8 119.3 . .
C20 C21 C22 120.4(9) . .
C20 C21 H9 119.8 . .
C22 C21 H9 119.8 . .
C21 C22 C23 119.5(8) . .
C21 C22 H10 120.3 . .
C23 C22 H10 120.3 . .
C18 C23 C22 118.8(7) . .
C18 C23 C24 121.7(7) . .
C22 C23 C24 119.5(7) . .
O6 C24 N5 119.0(6) . .
O6 C24 C23 123.7(7) . .
N5 C24 C23 117.3(7) . .
O6 C24 Eu1 39.5(3) . .
N5 C24 Eu1 79.8(4) . .
C23 C24 Eu1 161.9(6) . .
N1 C25 C26 112.0(6) . .
N1 C25 H13A 109.2 . .
C26 C25 H13A 109.2 . .
N1 C25 H13B 109.2 . .
C26 C25 H13B 109.2 . .
H13A C25 H13B 107.9 . .
N6 C26 C25 112.3(6) . .
N6 C26 H14A 109.1 . .
C25 C26 H14A 109.1 . .
N6 C26 H14B 109.1 . .
C25 C26 H14B 109.1 . .
H14A C26 H14B 107.9 . .
O7 C27 N6 122.3(7) . .
O7 C27 C28 118.4(7) . .
N6 C27 C28 119.3(6) . .
C29 C28 N7 117.9(7) . .
C29 C28 C27 120.1(7) . .
N7 C28 C27 122.0(7) . .
C28 C29 C30 123.6(7) . .
C28 C29 H17 118.2 . .
C30 C29 H17 118.2 . .
C35 C30 C31 119.5(7) . .
C35 C30 C29 117.4(7) . .
C31 C30 C29 123.1(7) . .
C32 C31 C30 120.5(8) . .
C32 C31 H19 119.7 . .
C30 C31 H19 119.7 . .
C31 C32 C33 120.9(8) . .
C31 C32 H20 119.6 . .
C33 C32 H20 119.6 . .
C34 C33 C32 119.2(8) . .
C34 C33 H21 120.4 . .
C32 C33 H21 120.4 . .
C33 C34 C35 119.5(7) . .
C33 C34 H22 120.2 . .
C35 C34 H22 120.2 . .
C34 C35 C30 120.3(7) . .
C34 C35 C36 118.9(7) . .
C30 C35 C36 120.7(7) . .
O9 C36 N7 118.2(7) . .
O9 C36 C35 124.7(7) . .
N7 C36 C35 117.0(6) . .
O9 C36 Eu1 38.6(3) . .
N7 C36 Eu1 79.7(4) . .
C35 C36 Eu1 163.3(5) . .
C13 N1 C1 108.7(6) . .
C13 N1 C25 111.0(6) . .
C1 N1 C25 111.1(6) . .
C3 N2 C2 124.4(6) . .
C3 N2 H6 117.8 . .
C2 N2 H6 117.8 . .
C12 N3 O2 116.2(6) . .
C12 N3 C4 123.4(6) . .
O2 N3 C4 120.4(6) . .
C15 N4 C14 121.5(7) . .
C15 N4 H2 119.2 . .
C14 N4 H2 119.2 . .
C24 N5 O5 116.0(6) . .
C24 N5 C16 124.1(6) . .
O5 N5 C16 119.9(6) . .
C27 N6 C26 121.9(6) . .
C27 N6 H4 119.1 . .
C26 N6 H4 119.1 . .
O8 N7 C36 116.1(6) . .
O8 N7 C28 120.6(6) . .
C36 N7 C28 123.3(6) . .
N3 O2 Eu1 119.0(4) . .
C12 O3 Eu1 121.0(5) . .
N5 O5 Eu1 118.6(4) . .
C24 O6 Eu1 120.4(4) . .
C27 O7 Eu1 164.5(5) . 4_575
N7 O8 Eu1 118.0(4) . .
C36 O9 Eu1 121.9(4) . .
O9 Eu1 O2 91.96(17) . .
O9 Eu1 O5 141.83(16) . .
O2 Eu1 O5 79.51(17) . .
O9 Eu1 O6 144.08(16) . .
O2 Eu1 O6 120.77(17) . .
O5 Eu1 O6 65.46(16) . .
O9 Eu1 O3 100.57(17) . .
O2 Eu1 O3 65.03(16) . .
O5 Eu1 O3 108.90(18) . .
O6 Eu1 O3 82.59(17) . .
O9 Eu1 O8 65.65(16) . .
O2 Eu1 O8 71.55(16) . .
O5 Eu1 O8 76.40(16) . .
O6 Eu1 O8 135.05(17) . .
O3 Eu1 O8 133.95(16) . .
O9 Eu1 O7 80.40(16) . 4_576
O2 Eu1 O7 147.18(17) . 4_576
O5 Eu1 O7 86.98(17) . 4_576
O6 Eu1 O7 78.76(17) . 4_576
O3 Eu1 O7 147.67(16) . 4_576
O8 Eu1 O7 76.26(16) . 4_576
O9 Eu1 O10 75.52(16) . .
O2 Eu1 O10 133.12(17) . .
O5 Eu1 O10 135.77(16) . .
O6 Eu1 O10 71.24(17) . .
O3 Eu1 O10 73.08(16) . .
O8 Eu1 O10 135.17(16) . .
O7 Eu1 O10 75.99(17) 4_576 .
O9 Eu1 C36 19.53(16) . .
O2 Eu1 C36 84.16(17) . .
O5 Eu1 C36 122.47(17) . .
O6 Eu1 C36 154.97(17) . .
O3 Eu1 C36 112.94(17) . .
O8 Eu1 C36 46.14(17) . .
O7 Eu1 C36 78.13(16) 4_576 .
O10 Eu1 C36 93.86(17) . .
O9 Eu1 C24 156.38(17) . .
O2 Eu1 C24 111.29(18) . .
O5 Eu1 C24 45.55(18) . .
O6 Eu1 C24 20.09(18) . .
O3 Eu1 C24 93.30(17) . .
O8 Eu1 C24 116.73(18) . .
O7 Eu1 C24 77.71(17) 4_576 .
O10 Eu1 C24 90.60(18) . .
C36 Eu1 C24 153.55(17) . .
O9 Eu1 C12 102.42(17) . .
O2 Eu1 C12 45.64(17) . .
O5 Eu1 C12 97.80(18) . .
O6 Eu1 C12 92.34(17) . .
O3 Eu1 C12 19.77(16) . .
O8 Eu1 C12 116.40(17) . .
O7 Eu1 C12 167.17(17) 4_576 .
O10 Eu1 C12 92.48(17) . .
C36 Eu1 C12 108.71(17) . .
C24 Eu1 C12 97.10(17) . .
loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_site_symmetry_2
C1 N1 1.474(9) .
C1 C2 1.519(11) .
C1 H25A 0.9700 .
C1 H25B 0.9700 .
C2 N2 1.450(9) .
C2 H26A 0.9700 .
C2 H26B 0.9700 .
C3 O1 1.253(8) .
C3 N2 1.310(9) .
C3 C4 1.492(10) .
C4 C5 1.362(10) .
C4 N3 1.413(9) .
C5 C6 1.414(10) .
C5 H29 0.9300 .
C6 C11 1.408(10) .
C6 C7 1.409(10) .
C7 C8 1.358(11) .
C7 H31 0.9300 .
C8 C9 1.371(11) .
C8 H32 0.9300 .
C9 C10 1.393(10) .
C9 H33 0.9300 .
C10 C11 1.386(10) .
C10 H34 0.9300 .
C11 C12 1.427(10) .
C12 O3 1.275(8) .
C12 N3 1.361(9) .
C12 Eu1 3.231(8) .
C13 N1 1.472(10) .
C13 C14 1.484(10) .
C13 H1A 0.9700 .
C13 H1B 0.9700 .
C14 N4 1.480(9) .
C14 H2A 0.9700 .
C14 H2B 0.9700 .
C15 O4 1.220(9) .
C15 N4 1.342(10) .
C15 C16 1.506(11) .
C16 C17 1.362(10) .
C16 N5 1.398(10) .
C17 C18 1.452(11) .
C17 H5 0.9300 .
C18 C23 1.376(11) .
C18 C19 1.394(11) .
C19 C20 1.402(12) .
C19 H7 0.9300 .
C20 C21 1.358(12) .
C20 H8 0.9300 .
C21 C22 1.391(10) .
C21 H9 0.9300 .
C22 C23 1.426(11) .
C22 H10 0.9300 .
C23 C24 1.429(10) .
C24 O6 1.280(9) .
C24 N5 1.338(9) .
C24 Eu1 3.211(8) .
C25 N1 1.474(9) .
C25 C26 1.489(10) .
C25 H13A 0.9700 .
C25 H13B 0.9700 .
C26 N6 1.447(9) .
C26 H14A 0.9700 .
C26 H14B 0.9700 .
C27 O7 1.224(8) .
C27 N6 1.323(9) .
C27 C28 1.510(10) .
C28 C29 1.352(10) .
C28 N7 1.402(9) .
C29 C30 1.415(11) .
C29 H17 0.9300 .
C30 C35 1.393(9) .
C30 C31 1.399(10) .
C31 C32 1.337(11) .
C31 H19 0.9300 .
C32 C33 1.421(11) .
C32 H20 0.9300 .
C33 C34 1.387(11) .
C33 H21 0.9300 .
C34 C35 1.391(11) .
C34 H22 0.9300 .
C35 C36 1.455(10) .
C36 O9 1.264(8) .
C36 N7 1.371(9) .
C36 Eu1 3.208(7) .
N2 H6 0.8600 .
N3 O2 1.363(7) .
N4 H2 0.8600 .
N5 O5 1.370(7) .
N6 H4 0.8600 .
N7 O8 1.362(7) .
O2 Eu1 2.361(5) .
O3 Eu1 2.384(5) .
O5 Eu1 2.367(5) .
O6 Eu1 2.368(5) .
O7 Eu1 2.420(5) 4_575
O8 Eu1 2.386(5) .
O9 Eu1 2.356(5) .
O10 Eu1 2.501(5) .
Eu1 O7 2.420(5) 4_576
loop_
_geom_torsion_atom_site_label_1
_geom_torsion_atom_site_label_2
_geom_torsion_atom_site_label_3
_geom_torsion_atom_site_label_4
_geom_torsion
_geom_torsion_site_symmetry_4
N1 C1 C2 N2 74.4(8) .
O1 C3 C4 C5 -20.4(11) .
N2 C3 C4 C5 158.4(8) .
O1 C3 C4 N3 161.0(7) .
N2 C3 C4 N3 -20.1(11) .
N3 C4 C5 C6 -5.1(11) .
C3 C4 C5 C6 176.3(7) .
C4 C5 C6 C11 0.2(11) .
C4 C5 C6 C7 179.9(7) .
C11 C6 C7 C8 -3.0(12) .
C5 C6 C7 C8 177.3(8) .
C6 C7 C8 C9 0.4(13) .
C7 C8 C9 C10 2.0(13) .
C8 C9 C10 C11 -1.7(12) .
C9 C10 C11 C6 -1.1(11) .
C9 C10 C11 C12 178.5(7) .
C7 C6 C11 C10 3.4(11) .
C5 C6 C11 C10 -176.9(7) .
C7 C6 C11 C12 -176.2(7) .
C5 C6 C11 C12 3.5(10) .
C10 C11 C12 O3 -4.3(11) .
C6 C11 C12 O3 175.3(7) .
C10 C11 C12 N3 178.4(7) .
C6 C11 C12 N3 -2.1(10) .
C10 C11 C12 Eu1 -29(2) .
C6 C11 C12 Eu1 151.0(13) .
N1 C13 C14 N4 67.1(9) .
O4 C15 C16 C17 9.0(11) .
N4 C15 C16 C17 -166.8(7) .
O4 C15 C16 N5 176.8(7) .
N4 C15 C16 N5 1.0(11) .
N5 C16 C17 C18 -1.7(11) .
C15 C16 C17 C18 166.7(7) .
C16 C17 C18 C23 -2.9(11) .
C16 C17 C18 C19 179.7(7) .
C23 C18 C19 C20 -1.1(12) .
C17 C18 C19 C20 176.1(8) .
C18 C19 C20 C21 -1.3(13) .
C19 C20 C21 C22 1.8(13) .
C20 C21 C22 C23 0.1(11) .
C19 C18 C23 C22 2.9(11) .
C17 C18 C23 C22 -174.4(7) .
C19 C18 C23 C24 -177.7(7) .
C17 C18 C23 C24 4.9(11) .
C21 C22 C23 C18 -2.4(10) .
C21 C22 C23 C24 178.2(7) .
C18 C23 C24 O6 177.1(7) .
C22 C23 C24 O6 -3.6(11) .
C18 C23 C24 N5 -2.1(10) .
C22 C23 C24 N5 177.2(6) .
C18 C23 C24 Eu1 158.3(12) .
C22 C23 C24 Eu1 -22(2) .
N1 C25 C26 N6 67.8(9) .
O7 C27 C28 C29 -4.9(10) .
N6 C27 C28 C29 176.9(6) .
O7 C27 C28 N7 175.4(6) .
N6 C27 C28 N7 -2.8(10) .
N7 C28 C29 C30 -1.9(11) .
C27 C28 C29 C30 178.5(6) .
C28 C29 C30 C35 1.0(11) .
C28 C29 C30 C31 -178.1(7) .
C35 C30 C31 C32 -1.5(11) .
C29 C30 C31 C32 177.6(7) .
C30 C31 C32 C33 1.4(12) .
C31 C32 C33 C34 -0.7(12) .
C32 C33 C34 C35 0.3(12) .
C33 C34 C35 C30 -0.4(11) .
C33 C34 C35 C36 179.4(7) .
C31 C30 C35 C34 1.0(10) .
C29 C30 C35 C34 -178.1(7) .
C31 C30 C35 C36 -178.8(6) .
C29 C30 C35 C36 2.0(10) .
C34 C35 C36 O9 -2.6(10) .
C30 C35 C36 O9 177.2(6) .
C34 C35 C36 N7 176.1(6) .
C30 C35 C36 N7 -4.1(9) .
C34 C35 C36 Eu1 -4(2) .
C30 C35 C36 Eu1 176.1(12) .
C14 C13 N1 C1 79.6(8) .
C14 C13 N1 C25 -157.9(7) .
C2 C1 N1 C13 -156.8(6) .
C2 C1 N1 C25 80.8(8) .
C26 C25 N1 C13 85.9(8) .
C26 C25 N1 C1 -153.1(7) .
O1 C3 N2 C2 2.5(13) .
C4 C3 N2 C2 -176.3(7) .
C1 C2 N2 C3 114.1(8) .
O3 C12 N3 O2 -0.1(9) .
C11 C12 N3 O2 177.5(6) .
Eu1 C12 N3 O2 6.0(5) .
O3 C12 N3 C4 179.4(6) .
C11 C12 N3 C4 -3.1(10) .
Eu1 C12 N3 C4 -174.6(6) .
C5 C4 N3 C12 6.7(10) .
C3 C4 N3 C12 -174.7(7) .
C5 C4 N3 O2 -173.9(6) .
C3 C4 N3 O2 4.6(10) .
O4 C15 N4 C14 -10.0(12) .
C16 C15 N4 C14 165.6(7) .
C13 C14 N4 C15 118.7(8) .
O6 C24 N5 O5 -3.3(9) .
C23 C24 N5 O5 175.9(6) .
Eu1 C24 N5 O5 2.0(5) .
O6 C24 N5 C16 177.8(6) .
C23 C24 N5 C16 -3.0(10) .
Eu1 C24 N5 C16 -176.9(6) .
C17 C16 N5 C24 4.9(11) .
C15 C16 N5 C24 -162.7(7) .
C17 C16 N5 O5 -174.0(6) .
C15 C16 N5 O5 18.5(10) .
O7 C27 N6 C26 4.6(10) .
C28 C27 N6 C26 -177.2(6) .
C25 C26 N6 C27 95.5(8) .
O9 C36 N7 O8 0.6(9) .
C35 C36 N7 O8 -178.1(5) .
Eu1 C36 N7 O8 1.8(5) .
O9 C36 N7 C28 -177.9(6) .
C35 C36 N7 C28 3.3(9) .
Eu1 C36 N7 C28 -176.7(6) .
C29 C28 N7 O8 -178.9(6) .
C27 C28 N7 O8 0.7(9) .
C29 C28 N7 C36 -0.4(10) .
C27 C28 N7 C36 179.2(6) .
C12 N3 O2 Eu1 -9.2(7) .
C4 N3 O2 Eu1 171.3(5) .
N3 C12 O3 Eu1 9.4(8) .
C11 C12 O3 Eu1 -168.0(5) .
C24 N5 O5 Eu1 -3.0(7) .
C16 N5 O5 Eu1 175.9(5) .
N5 C24 O6 Eu1 8.3(9) .
C23 C24 O6 Eu1 -171.0(5) .
N6 C27 O7 Eu1 -116.0(17) 4_575
C28 C27 O7 Eu1 66(2) 4_575
C36 N7 O8 Eu1 -2.7(7) .
C28 N7 O8 Eu1 175.9(4) .
N7 C36 O9 Eu1 1.9(8) .
C35 C36 O9 Eu1 -179.5(5) .
C36 O9 Eu1 O2 66.4(5) .
C36 O9 Eu1 O5 -9.1(6) .
C36 O9 Eu1 O6 -136.7(5) .
C36 O9 Eu1 O3 131.3(5) .
C36 O9 Eu1 O8 -2.4(5) .
C36 O9 Eu1 O7 -81.5(5) 4_576
C36 O9 Eu1 O10 -159.4(5) .
C36 O9 Eu1 C24 -103.7(6) .
C36 O9 Eu1 C12 111.2(5) .
N3 O2 Eu1 O9 110.4(5) .
N3 O2 Eu1 O5 -107.1(5) .
N3 O2 Eu1 O6 -54.1(5) .
N3 O2 Eu1 O3 9.6(4) .
N3 O2 Eu1 O8 173.9(5) .
N3 O2 Eu1 O7 -174.4(4) 4_576
N3 O2 Eu1 O10 38.5(5) .
N3 O2 Eu1 C36 128.3(5) .
N3 O2 Eu1 C24 -73.9(5) .
N3 O2 Eu1 C12 4.9(4) .
N5 O5 Eu1 O9 -144.4(4) .
N5 O5 Eu1 O2 135.9(5) .
N5 O5 Eu1 O6 4.9(4) .
N5 O5 Eu1 O3 77.1(4) .
N5 O5 Eu1 O8 -150.7(5) .
N5 O5 Eu1 O7 -74.1(4) 4_576
N5 O5 Eu1 O10 -7.8(6) .
N5 O5 Eu1 C36 -148.0(4) .
N5 O5 Eu1 C24 1.6(4) .
N5 O5 Eu1 C12 93.9(4) .
C24 O6 Eu1 O9 140.6(5) .
C24 O6 Eu1 O2 -66.6(5) .
C24 O6 Eu1 O5 -6.9(5) .
C24 O6 Eu1 O3 -121.6(5) .
C24 O6 Eu1 O8 27.7(6) .
C24 O6 Eu1 O7 84.9(5) 4_576
C24 O6 Eu1 O10 163.8(5) .
C24 O6 Eu1 C36 107.8(6) .
C24 O6 Eu1 C12 -104.4(5) .
C12 O3 Eu1 O9 -97.3(5) .
C12 O3 Eu1 O2 -10.1(5) .
C12 O3 Eu1 O5 58.1(5) .
C12 O3 Eu1 O6 118.9(5) .
C12 O3 Eu1 O8 -31.1(6) .
C12 O3 Eu1 O7 174.0(5) 4_576
C12 O3 Eu1 O10 -168.5(5) .
C12 O3 Eu1 C36 -81.5(5) .
C12 O3 Eu1 C24 101.9(5) .
N7 O8 Eu1 O9 2.6(4) .
N7 O8 Eu1 O2 -98.4(4) .
N7 O8 Eu1 O5 178.3(4) .
N7 O8 Eu1 O6 146.2(4) .
N7 O8 Eu1 O3 -78.4(5) .
N7 O8 Eu1 O7 88.1(4) 4_576
N7 O8 Eu1 O10 34.9(5) .
N7 O8 Eu1 C36 1.5(4) .
N7 O8 Eu1 C24 156.5(4) .
N7 O8 Eu1 C12 -89.7(4) .
N7 C36 Eu1 O9 -178.3(7) .
C35 C36 Eu1 O9 1.6(14) .
O9 C36 Eu1 O2 -113.0(5) .
N7 C36 Eu1 O2 68.7(4) .
C35 C36 Eu1 O2 -111.5(16) .
O9 C36 Eu1 O5 173.3(4) .
N7 C36 Eu1 O5 -5.0(4) .
C35 C36 Eu1 O5 174.9(15) .
O9 C36 Eu1 O6 71.8(7) .
N7 C36 Eu1 O6 -106.5(5) .
C35 C36 Eu1 O6 73.4(17) .
O9 C36 Eu1 O3 -53.3(5) .
N7 C36 Eu1 O3 128.4(4) .
C35 C36 Eu1 O3 -51.8(16) .
O9 C36 Eu1 O8 177.0(6) .
N7 C36 Eu1 O8 -1.3(3) .
C35 C36 Eu1 O8 178.6(17) .
O9 C36 Eu1 O7 94.8(5) 4_576
N7 C36 Eu1 O7 -83.6(4) 4_576
C35 C36 Eu1 O7 96.3(16) 4_576
O9 C36 Eu1 O10 19.9(5) .
N7 C36 Eu1 O10 -158.4(4) .
C35 C36 Eu1 O10 21.5(16) .
O9 C36 Eu1 C24 119.1(6) .
N7 C36 Eu1 C24 -59.2(6) .
C35 C36 Eu1 C24 120.7(15) .
O9 C36 Eu1 C12 -74.0(5) .
N7 C36 Eu1 C12 107.7(4) .
C35 C36 Eu1 C12 -72.4(16) .
O6 C24 Eu1 O9 -68.4(7) .
N5 C24 Eu1 O9 118.9(5) .
C23 C24 Eu1 O9 -43.5(18) .
O6 C24 Eu1 O2 122.2(5) .
N5 C24 Eu1 O2 -50.5(4) .
C23 C24 Eu1 O2 147.2(16) .
O6 C24 Eu1 O5 171.2(6) .
N5 C24 Eu1 O5 -1.4(4) .
C23 C24 Eu1 O5 -163.8(17) .
N5 C24 Eu1 O6 -172.7(8) .
C23 C24 Eu1 O6 25.0(14) .
O6 C24 Eu1 O3 57.8(5) .
N5 C24 Eu1 O3 -114.9(4) .
C23 C24 Eu1 O3 82.7(16) .
O6 C24 Eu1 O8 -158.4(5) .
N5 C24 Eu1 O8 28.9(4) .
C23 C24 Eu1 O8 -133.4(16) .
O6 C24 Eu1 O7 -90.9(5) 4_576
N5 C24 Eu1 O7 96.5(4) 4_576
C23 C24 Eu1 O7 -65.9(16) 4_576
O6 C24 Eu1 O10 -15.3(5) .
N5 C24 Eu1 O10 172.0(4) .
C23 C24 Eu1 O10 9.6(16) .
O6 C24 Eu1 C36 -115.2(6) .
N5 C24 Eu1 C36 72.1(6) .
C23 C24 Eu1 C36 -90.3(16) .
O6 C24 Eu1 C12 77.2(5) .
N5 C24 Eu1 C12 -95.4(4) .
C23 C24 Eu1 C12 102.2(16) .
O3 C12 Eu1 O9 86.7(5) .
N3 C12 Eu1 O9 -84.8(4) .
C11 C12 Eu1 O9 119.2(16) .
O3 C12 Eu1 O2 167.1(6) .
N3 C12 Eu1 O2 -4.3(4) .
C11 C12 Eu1 O2 -160.3(17) .
O3 C12 Eu1 O5 -125.9(5) .
N3 C12 Eu1 O5 62.7(4) .
C11 C12 Eu1 O5 -93.3(16) .
O3 C12 Eu1 O6 -60.3(5) .
N3 C12 Eu1 O6 128.2(4) .
C11 C12 Eu1 O6 -27.8(16) .
N3 C12 Eu1 O3 -171.5(8) .
C11 C12 Eu1 O3 32.5(14) .
O3 C12 Eu1 O8 155.5(5) .
N3 C12 Eu1 O8 -16.0(5) .
C11 C12 Eu1 O8 -172.0(15) .
O3 C12 Eu1 O7 -14.7(11) 4_576
N3 C12 Eu1 O7 173.8(7) 4_576
C11 C12 Eu1 O7 18(2) 4_576
O3 C12 Eu1 O10 11.0(5) .
N3 C12 Eu1 O10 -160.5(4) .
C11 C12 Eu1 O10 43.5(16) .
O3 C12 Eu1 C36 105.9(5) .
N3 C12 Eu1 C36 -65.6(4) .
C11 C12 Eu1 C36 138.5(16) .
O3 C12 Eu1 C24 -79.9(5) .
N3 C12 Eu1 C24 108.6(4) .
C11 C12 Eu1 C24 -47.4(16) .
