#------------------------------------------------------------------------------
#$Date: 2023-03-04 20:51:18 +0200 (Sat, 04 Mar 2023) $
#$Revision: 281623 $
#$URL: file:///home/coder/svn-repositories/cod/cif/1/56/81/1568124.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_1568124
loop_
_publ_author_name
'Yu, Gang'
'Liu, Huanyu'
'Yan, Wenchao'
'Guo, Ruoyao'
'Wu, Aoben'
'Zhao, Zifeng'
'Liu, Zhiwei'
'Bian, Zuqiang'
_publ_section_title
;
 4f → 3d sensitization: a luminescent
 EuII-MnII heteronuclear complex with a near-unity
 quantum yield.
;
_journal_issue                   2
_journal_name_full               'Materials horizons'
_journal_page_first              625
_journal_page_last               631
_journal_paper_doi               10.1039/d2mh01123a
_journal_volume                  10
_journal_year                    2023
_chemical_absolute_configuration ad
_chemical_formula_sum            'C18 H36 Br2 Eu N2 O6'
_chemical_formula_weight         688.27
_space_group_crystal_system      orthorhombic
_space_group_IT_number           18
_space_group_name_Hall           'P 2 2ab'
_space_group_name_H-M_alt        'P 21 21 2'
_atom_sites_solution_hydrogens   geom
_atom_sites_solution_primary     dual
_audit_block_doi                 10.5517/ccdc.csd.cc2bp62b
_audit_creation_method           SHELXL-2014/7
_audit_update_record
;
2022-04-08 deposited with the CCDC.	2022-11-29 downloaded from the CCDC.
;
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_formula_units_Z            4
_cell_length_a                   13.6795(3)
_cell_length_b                   17.7174(3)
_cell_length_c                   9.9143(2)
_cell_measurement_reflns_used    7790
_cell_measurement_temperature    179.99(10)
_cell_measurement_theta_max      29.2230
_cell_measurement_theta_min      2.3600
_cell_volume                     2402.88(8)
_computing_structure_refinement  'SHELXL-2014/7 (Sheldrick, 2014)'
_diffrn_ambient_environment      N~2~
_diffrn_ambient_temperature      179.99(10)
_diffrn_detector                 'CCD plate'
_diffrn_measured_fraction_theta_full 0.999
_diffrn_measured_fraction_theta_max 0.924
_diffrn_measurement_device       'four-circle diffractometer'
_diffrn_measurement_device_type  'XtaLAB AFC12 (RINC): Kappa single'
_diffrn_radiation_monochromator  graphite
_diffrn_radiation_probe          x-ray
_diffrn_radiation_type           'Mo K\a'
_diffrn_radiation_wavelength     0.71073
_diffrn_reflns_av_R_equivalents  0.0213
_diffrn_reflns_av_unetI/netI     0.0321
_diffrn_reflns_Laue_measured_fraction_full 0.999
_diffrn_reflns_Laue_measured_fraction_max 0.924
_diffrn_reflns_limit_h_max       11
_diffrn_reflns_limit_h_min       -18
_diffrn_reflns_limit_k_max       20
_diffrn_reflns_limit_k_min       -24
_diffrn_reflns_limit_l_max       9
_diffrn_reflns_limit_l_min       -13
_diffrn_reflns_number            11809
_diffrn_reflns_point_group_measured_fraction_full 0.956
_diffrn_reflns_point_group_measured_fraction_max 0.838
_diffrn_reflns_theta_full        25.242
_diffrn_reflns_theta_max         29.368
_diffrn_reflns_theta_min         2.354
_diffrn_source                   'fine-focus sealed X-ray tube'
_diffrn_source_type              'Enhance (Mo) X-ray Source'
_exptl_absorpt_coefficient_mu    5.970
_exptl_absorpt_correction_T_max  1.00000
_exptl_absorpt_correction_T_min  0.71743
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details
;
CrysAlisPro 1.171.39.29a (Rigaku Oxford Diffraction, 2015)
Empirical absorption correction using spherical harmonics,
 implemented in SCALE3 ABSPACK scaling algorithm.
;
_exptl_crystal_colour            colorless
_exptl_crystal_density_diffrn    1.903
_exptl_crystal_description       block
_exptl_crystal_F_000             1356
_exptl_crystal_size_max          0.18
_exptl_crystal_size_mid          0.16
_exptl_crystal_size_min          0.09
_refine_diff_density_max         0.590
_refine_diff_density_min         -0.560
_refine_diff_density_rms         0.079
_refine_ls_abs_structure_details
;
 Flack x determined using 1974 quotients [(I+)-(I-)]/[(I+)+(I-)]
 (Parsons, Flack and Wagner, Acta Cryst. B69 (2013) 249-259).
;
_refine_ls_abs_structure_Flack   -0.001(6)
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.010
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     263
_refine_ls_number_reflns         5554
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      1.010
_refine_ls_R_factor_all          0.0218
_refine_ls_R_factor_gt           0.0196
_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)+(0.0158P)²] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0382
_refine_ls_wR_factor_ref         0.0387
_reflns_Friedel_coverage         0.619
_reflns_Friedel_fraction_full    0.899
_reflns_Friedel_fraction_max     0.729
_reflns_number_gt                5294
_reflns_number_total             5554
_reflns_threshold_expression     'I > 2σ(I)'
_cod_data_source_file            d2mh01123a2.cif
_cod_data_source_block           3
_cod_depositor_comments
'Adding full bibliography for 1568124--1568127.cif.'
_cod_database_code               1568124
_shelx_shelxl_version_number     2014/7
_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.
;
_oxdiff_exptl_absorpt_empirical_full_min 0.705
_oxdiff_exptl_absorpt_empirical_full_max 1.782
_oxdiff_exptl_absorpt_empirical_details
;
Empirical correction (ABSPACK) includes:
- Absorption correction using spherical harmonics
- Frame scaling
;
loop_
_space_group_symop_operation_xyz
'x, y, z'
'-x, -y, z'
'-x+1/2, y+1/2, -z'
'x+1/2, -y+1/2, -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 0.28576(2) 0.26970(2) 0.79739(2) 0.01454(4) Uani 1 1 d . . . . .
Br1 Br 0.27663(3) 0.19333(2) 1.06805(3) 0.02806(10) Uani 1 1 d . . . . .
O1 O 0.47166(18) 0.31119(15) 0.8470(3) 0.0266(6) Uani 1 1 d . . . . .
O2 O 0.44419(19) 0.18638(14) 0.7231(3) 0.0258(6) Uani 1 1 d . . . . .
O3 O 0.10280(18) 0.21894(14) 0.7725(2) 0.0251(6) Uani 1 1 d . . . . .
O4 O 0.13337(19) 0.35298(14) 0.8835(3) 0.0257(6) Uani 1 1 d . . . . .
O5 O 0.2902(2) 0.39347(13) 0.6577(2) 0.0240(6) Uani 1 1 d . . . . .
O6 O 0.26786(19) 0.25899(13) 0.5224(2) 0.0235(6) Uani 1 1 d . . . . .
N1 N 0.3201(2) 0.40477(17) 0.9405(3) 0.0234(8) Uani 1 1 d . . . . .
N2 N 0.2616(2) 0.12505(16) 0.6778(3) 0.0210(7) Uani 1 1 d . . . . .
C1 C 0.4123(3) 0.3945(2) 1.0147(5) 0.0365(11) Uani 1 1 d . . . . .
H1A H 0.4042 0.3540 1.0795 0.044 Uiso 1 1 calc R U . . .
H1B H 0.4267 0.4403 1.0645 0.044 Uiso 1 1 calc R U . . .
C2 C 0.4971(3) 0.3764(2) 0.9239(5) 0.0384(11) Uani 1 1 d . . . . .
H2A H 0.5104 0.4186 0.8643 0.046 Uiso 1 1 calc R U . . .
H2B H 0.5552 0.3666 0.9772 0.046 Uiso 1 1 calc R U . . .
C3 C 0.5352(3) 0.2988(3) 0.7349(4) 0.0332(10) Uani 1 1 d . . . . .
H3A H 0.5995 0.3193 0.7532 0.040 Uiso 1 1 calc R U . . .
H3B H 0.5093 0.3229 0.6547 0.040 Uiso 1 1 calc R U . . .
C4 C 0.5408(3) 0.2156(2) 0.7151(4) 0.0325(10) Uani 1 1 d . . . . .
H4A H 0.5691 0.2042 0.6277 0.039 Uiso 1 1 calc R U . . .
H4B H 0.5815 0.1930 0.7843 0.039 Uiso 1 1 calc R U . . .
C5 C 0.4402(3) 0.1068(2) 0.6978(4) 0.0317(9) Uani 1 1 d . . . . .
H5A H 0.4895 0.0809 0.7508 0.038 Uiso 1 1 calc R U . . .
H5B H 0.4525 0.0966 0.6032 0.038 Uiso 1 1 calc R U . . .
C6 C 0.3406(3) 0.0795(2) 0.7360(4) 0.0293(10) Uani 1 1 d . . . . .
H6A H 0.3332 0.0277 0.7063 0.035 Uiso 1 1 calc R U . . .
H6B H 0.3347 0.0801 0.8335 0.035 Uiso 1 1 calc R U . . .
C7 C 0.1664(3) 0.0974(2) 0.7267(4) 0.0276(9) Uani 1 1 d . . . . .
H7A H 0.1701 0.0894 0.8233 0.033 Uiso 1 1 calc R U . . .
H7B H 0.1522 0.0493 0.6845 0.033 Uiso 1 1 calc R U . . .
C8 C 0.0850(3) 0.1515(2) 0.6968(4) 0.0293(9) Uani 1 1 d . . . . .
H8A H 0.0831 0.1629 0.6011 0.035 Uiso 1 1 calc R U . . .
H8B H 0.0227 0.1297 0.7225 0.035 Uiso 1 1 calc R U . . .
C9 C 0.0318(3) 0.2770(2) 0.7469(4) 0.0308(9) Uani 1 1 d . . . . .
H9A H -0.0328 0.2549 0.7384 0.037 Uiso 1 1 calc R U . . .
H9B H 0.0472 0.3029 0.6634 0.037 Uiso 1 1 calc R U . . .
C10 C 0.0338(3) 0.3313(2) 0.8615(4) 0.0293(9) Uani 1 1 d . . . . .
H10A H -0.0056 0.3753 0.8404 0.035 Uiso 1 1 calc R U . . .
H10B H 0.0074 0.3077 0.9420 0.035 Uiso 1 1 calc R U . . .
C11 C 0.1412(3) 0.4137(2) 0.9766(5) 0.0342(10) Uani 1 1 d . . . . .
H11A H 0.0911 0.4093 1.0454 0.041 Uiso 1 1 calc R U . . .
H11B H 0.1324 0.4614 0.9302 0.041 Uiso 1 1 calc R U . . .
C12 C 0.2407(3) 0.4108(2) 1.0404(4) 0.0338(10) Uani 1 1 d . . . . .
H12A H 0.2505 0.4561 1.0939 0.041 Uiso 1 1 calc R U . . .
H12B H 0.2438 0.3678 1.1009 0.041 Uiso 1 1 calc R U . . .
C13 C 0.3246(3) 0.4708(2) 0.8503(4) 0.0293(9) Uani 1 1 d . . . . .
H13A H 0.3924 0.4798 0.8268 0.035 Uiso 1 1 calc R U . . .
H13B H 0.3015 0.5146 0.8997 0.035 Uiso 1 1 calc R U . . .
C14 C 0.2666(3) 0.46439(19) 0.7226(4) 0.0294(9) Uani 1 1 d . . . . .
H14A H 0.1973 0.4664 0.7427 0.035 Uiso 1 1 calc R U . . .
H14B H 0.2823 0.5061 0.6629 0.035 Uiso 1 1 calc R U . . .
C15 C 0.2604(3) 0.3934(2) 0.5204(4) 0.0320(10) Uani 1 1 d . . . . .
H15A H 0.2838 0.4386 0.4755 0.038 Uiso 1 1 calc R U . . .
H15B H 0.1896 0.3925 0.5145 0.038 Uiso 1 1 calc R U . . .
C16 C 0.3022(3) 0.3253(2) 0.4551(4) 0.0305(10) Uani 1 1 d . . . . .
H16A H 0.2830 0.3238 0.3609 0.037 Uiso 1 1 calc R U . . .
H16B H 0.3730 0.3272 0.4592 0.037 Uiso 1 1 calc R U . . .
C17 C 0.3121(3) 0.1923(2) 0.4662(4) 0.0281(9) Uani 1 1 d . . . . .
H17A H 0.3816 0.1920 0.4857 0.034 Uiso 1 1 calc R U . . .
H17B H 0.3037 0.1919 0.3691 0.034 Uiso 1 1 calc R U . . .
C18 C 0.2646(3) 0.1233(2) 0.5268(4) 0.0263(9) Uani 1 1 d . . . . .
H18A H 0.1984 0.1192 0.4926 0.032 Uiso 1 1 calc R U . . .
H18B H 0.3003 0.0788 0.4979 0.032 Uiso 1 1 calc R U . . .
Br2 Br 0.5000 0.5000 0.53237(6) 0.03132(13) Uani 1 2 d S T P . .
Br3 Br 0.0000 0.5000 0.61905(6) 0.03127(13) Uani 1 2 d S T 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'
Br Br -0.2901 2.4595 '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_
_citation_id
_citation_doi
_citation_year
1 10.1039/D2QI01216B 2022
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
O5 Eu1 O3 104.91(8) . . ?
O5 Eu1 O4 73.99(8) . . ?
O3 Eu1 O4 59.22(8) . . ?
O5 Eu1 O1 81.06(8) . . ?
O3 Eu1 O1 173.65(7) . . ?
O4 Eu1 O1 121.58(8) . . ?
O5 Eu1 O2 107.16(8) . . ?
O3 Eu1 O2 122.56(8) . . ?
O4 Eu1 O2 177.05(8) . . ?
O1 Eu1 O2 56.35(8) . . ?
O5 Eu1 O6 61.97(7) . . ?
O3 Eu1 O6 78.55(7) . . ?
O4 Eu1 O6 106.48(8) . . ?
O1 Eu1 O6 106.53(8) . . ?
O2 Eu1 O6 76.39(8) . . ?
O5 Eu1 N1 63.11(8) . . ?
O3 Eu1 N1 119.22(8) . . ?
O4 Eu1 N1 60.33(9) . . ?
O1 Eu1 N1 61.26(8) . . ?
O2 Eu1 N1 117.59(8) . . ?
O6 Eu1 N1 124.97(8) . . ?
O5 Eu1 N2 122.81(8) . . ?
O3 Eu1 N2 63.21(8) . . ?
O4 Eu1 N2 122.43(8) . . ?
O1 Eu1 N2 115.59(8) . . ?
O2 Eu1 N2 59.40(8) . . ?
O6 Eu1 N2 60.84(8) . . ?
N1 Eu1 N2 173.53(9) . . ?
O5 Eu1 Br1 149.04(5) . . ?
O3 Eu1 Br1 83.79(5) . . ?
O4 Eu1 Br1 86.08(6) . . ?
O1 Eu1 Br1 89.95(6) . . ?
O2 Eu1 Br1 91.75(6) . . ?
O6 Eu1 Br1 148.39(5) . . ?
N1 Eu1 Br1 86.55(6) . . ?
N2 Eu1 Br1 87.81(6) . . ?
C2 O1 C3 113.1(3) . . ?
C2 O1 Eu1 123.3(2) . . ?
C3 O1 Eu1 113.0(2) . . ?
C4 O2 C5 112.6(3) . . ?
C4 O2 Eu1 123.9(2) . . ?
C5 O2 Eu1 123.4(2) . . ?
C8 O3 C9 112.9(3) . . ?
C8 O3 Eu1 119.3(2) . . ?
C9 O3 Eu1 114.1(2) . . ?
C11 O4 C10 111.9(3) . . ?
C11 O4 Eu1 124.2(2) . . ?
C10 O4 Eu1 122.8(2) . . ?
C15 O5 C14 111.2(3) . . ?
C15 O5 Eu1 120.3(2) . . ?
C14 O5 Eu1 119.40(19) . . ?
C16 O6 C17 110.8(3) . . ?
C16 O6 Eu1 112.2(2) . . ?
C17 O6 Eu1 113.8(2) . . ?
C1 N1 C12 107.7(3) . . ?
C1 N1 C13 111.5(3) . . ?
C12 N1 C13 112.3(3) . . ?
C1 N1 Eu1 106.8(2) . . ?
C12 N1 Eu1 106.1(2) . . ?
C13 N1 Eu1 112.0(2) . . ?
C6 N2 C7 109.8(3) . . ?
C6 N2 C18 111.2(3) . . ?
C7 N2 C18 110.3(3) . . ?
C6 N2 Eu1 104.3(2) . . ?
C7 N2 Eu1 105.4(2) . . ?
C18 N2 Eu1 115.6(2) . . ?
N1 C1 C2 112.8(3) . . ?
N1 C1 H1A 109.0 . . ?
C2 C1 H1A 109.0 . . ?
N1 C1 H1B 109.0 . . ?
C2 C1 H1B 109.0 . . ?
H1A C1 H1B 107.8 . . ?
O1 C2 C1 107.7(3) . . ?
O1 C2 H2A 110.2 . . ?
C1 C2 H2A 110.2 . . ?
O1 C2 H2B 110.2 . . ?
C1 C2 H2B 110.2 . . ?
H2A C2 H2B 108.5 . . ?
O1 C3 C4 106.7(3) . . ?
O1 C3 H3A 110.4 . . ?
C4 C3 H3A 110.4 . . ?
O1 C3 H3B 110.4 . . ?
C4 C3 H3B 110.4 . . ?
H3A C3 H3B 108.6 . . ?
O2 C4 C3 107.7(3) . . ?
O2 C4 H4A 110.2 . . ?
C3 C4 H4A 110.2 . . ?
O2 C4 H4B 110.2 . . ?
C3 C4 H4B 110.2 . . ?
H4A C4 H4B 108.5 . . ?
O2 C5 C6 108.0(3) . . ?
O2 C5 H5A 110.1 . . ?
C6 C5 H5A 110.1 . . ?
O2 C5 H5B 110.1 . . ?
C6 C5 H5B 110.1 . . ?
H5A C5 H5B 108.4 . . ?
N2 C6 C5 113.2(3) . . ?
N2 C6 H6A 108.9 . . ?
C5 C6 H6A 108.9 . . ?
N2 C6 H6B 108.9 . . ?
C5 C6 H6B 108.9 . . ?
H6A C6 H6B 107.8 . . ?
N2 C7 C8 112.3(3) . . ?
N2 C7 H7A 109.1 . . ?
C8 C7 H7A 109.1 . . ?
N2 C7 H7B 109.1 . . ?
C8 C7 H7B 109.1 . . ?
H7A C7 H7B 107.9 . . ?
O3 C8 C7 107.6(3) . . ?
O3 C8 H8A 110.2 . . ?
C7 C8 H8A 110.2 . . ?
O3 C8 H8B 110.2 . . ?
C7 C8 H8B 110.2 . . ?
H8A C8 H8B 108.5 . . ?
O3 C9 C10 108.3(3) . . ?
O3 C9 H9A 110.0 . . ?
C10 C9 H9A 110.0 . . ?
O3 C9 H9B 110.0 . . ?
C10 C9 H9B 110.0 . . ?
H9A C9 H9B 108.4 . . ?
O4 C10 C9 107.8(3) . . ?
O4 C10 H10A 110.1 . . ?
C9 C10 H10A 110.1 . . ?
O4 C10 H10B 110.1 . . ?
C9 C10 H10B 110.1 . . ?
H10A C10 H10B 108.5 . . ?
O4 C11 C12 108.4(3) . . ?
O4 C11 H11A 110.0 . . ?
C12 C11 H11A 110.0 . . ?
O4 C11 H11B 110.0 . . ?
C12 C11 H11B 110.0 . . ?
H11A C11 H11B 108.4 . . ?
N1 C12 C11 112.8(3) . . ?
N1 C12 H12A 109.0 . . ?
C11 C12 H12A 109.0 . . ?
N1 C12 H12B 109.0 . . ?
C11 C12 H12B 109.0 . . ?
H12A C12 H12B 107.8 . . ?
N1 C13 C14 115.5(3) . . ?
N1 C13 H13A 108.4 . . ?
C14 C13 H13A 108.4 . . ?
N1 C13 H13B 108.4 . . ?
C14 C13 H13B 108.4 . . ?
H13A C13 H13B 107.5 . . ?
O5 C14 C13 108.9(3) . . ?
O5 C14 H14A 109.9 . . ?
C13 C14 H14A 109.9 . . ?
O5 C14 H14B 109.9 . . ?
C13 C14 H14B 109.9 . . ?
H14A C14 H14B 108.3 . . ?
O5 C15 C16 107.9(3) . . ?
O5 C15 H15A 110.1 . . ?
C16 C15 H15A 110.1 . . ?
O5 C15 H15B 110.1 . . ?
C16 C15 H15B 110.1 . . ?
H15A C15 H15B 108.4 . . ?
O6 C16 C15 109.7(3) . . ?
O6 C16 H16A 109.7 . . ?
C15 C16 H16A 109.7 . . ?
O6 C16 H16B 109.7 . . ?
C15 C16 H16B 109.7 . . ?
H16A C16 H16B 108.2 . . ?
O6 C17 C18 109.3(3) . . ?
O6 C17 H17A 109.8 . . ?
C18 C17 H17A 109.8 . . ?
O6 C17 H17B 109.8 . . ?
C18 C17 H17B 109.8 . . ?
H17A C17 H17B 108.3 . . ?
N2 C18 C17 113.2(3) . . ?
N2 C18 H18A 108.9 . . ?
C17 C18 H18A 108.9 . . ?
N2 C18 H18B 108.9 . . ?
C17 C18 H18B 108.9 . . ?
H18A C18 H18B 107.8 . . ?
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 O5 2.595(2) . ?
Eu1 O3 2.671(2) . ?
Eu1 O4 2.693(3) . ?
Eu1 O1 2.692(2) . ?
Eu1 O2 2.724(2) . ?
Eu1 O6 2.744(2) . ?
Eu1 N1 2.822(3) . ?
Eu1 N2 2.843(3) . ?
Eu1 Br1 3.0078(4) . ?
O1 C2 1.428(5) . ?
O1 C3 1.428(5) . ?
O2 C4 1.422(4) . ?
O2 C5 1.434(4) . ?
O3 C8 1.432(4) . ?
O3 C9 1.438(4) . ?
O4 C11 1.422(5) . ?
O4 C10 1.432(5) . ?
O5 C15 1.421(4) . ?
O5 C14 1.448(4) . ?
O6 C16 1.430(4) . ?
O6 C17 1.440(4) . ?
N1 C1 1.471(5) . ?
N1 C12 1.474(5) . ?
N1 C13 1.474(5) . ?
N2 C6 1.467(5) . ?
N2 C7 1.474(5) . ?
N2 C18 1.498(4) . ?
C1 C2 1.504(6) . ?
C1 H1A 0.9700 . ?
C1 H1B 0.9700 . ?
C2 H2A 0.9700 . ?
C2 H2B 0.9700 . ?
C3 C4 1.489(6) . ?
C3 H3A 0.9700 . ?
C3 H3B 0.9700 . ?
C4 H4A 0.9700 . ?
C4 H4B 0.9700 . ?
C5 C6 1.494(6) . ?
C5 H5A 0.9700 . ?
C5 H5B 0.9700 . ?
C6 H6A 0.9700 . ?
C6 H6B 0.9700 . ?
C7 C8 1.500(5) . ?
C7 H7A 0.9700 . ?
C7 H7B 0.9700 . ?
C8 H8A 0.9700 . ?
C8 H8B 0.9700 . ?
C9 C10 1.489(6) . ?
C9 H9A 0.9700 . ?
C9 H9B 0.9700 . ?
C10 H10A 0.9700 . ?
C10 H10B 0.9700 . ?
C11 C12 1.503(6) . ?
C11 H11A 0.9700 . ?
C11 H11B 0.9700 . ?
C12 H12A 0.9700 . ?
C12 H12B 0.9700 . ?
C13 C14 1.498(5) . ?
C13 H13A 0.9700 . ?
C13 H13B 0.9700 . ?
C14 H14A 0.9700 . ?
C14 H14B 0.9700 . ?
C15 C16 1.485(6) . ?
C15 H15A 0.9700 . ?
C15 H15B 0.9700 . ?
C16 H16A 0.9700 . ?
C16 H16B 0.9700 . ?
C17 C18 1.508(5) . ?
C17 H17A 0.9700 . ?
C17 H17B 0.9700 . ?
C18 H18A 0.9700 . ?
C18 H18B 0.9700 . ?
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_1
_geom_torsion_site_symmetry_2
_geom_torsion_site_symmetry_3
_geom_torsion_site_symmetry_4
_geom_torsion_publ_flag
C12 N1 C1 C2 171.7(3) . . . . ?
C13 N1 C1 C2 -64.6(4) . . . . ?
Eu1 N1 C1 C2 58.1(4) . . . . ?
C3 O1 C2 C1 165.8(3) . . . . ?
Eu1 O1 C2 C1 23.8(4) . . . . ?
N1 C1 C2 O1 -55.7(4) . . . . ?
C2 O1 C3 C4 147.9(3) . . . . ?
Eu1 O1 C3 C4 -66.1(3) . . . . ?
C5 O2 C4 C3 176.7(3) . . . . ?
Eu1 O2 C4 C3 -7.8(4) . . . . ?
O1 C3 C4 O2 45.4(4) . . . . ?
C4 O2 C5 C6 168.6(3) . . . . ?
Eu1 O2 C5 C6 -6.9(4) . . . . ?
C7 N2 C6 C5 -176.6(3) . . . . ?
C18 N2 C6 C5 61.1(4) . . . . ?
Eu1 N2 C6 C5 -64.2(3) . . . . ?
O2 C5 C6 N2 49.7(4) . . . . ?
C6 N2 C7 C8 167.0(3) . . . . ?
C18 N2 C7 C8 -70.1(4) . . . . ?
Eu1 N2 C7 C8 55.3(3) . . . . ?
C9 O3 C8 C7 177.0(3) . . . . ?
Eu1 O3 C8 C7 38.9(4) . . . . ?
N2 C7 C8 O3 -65.2(4) . . . . ?
C8 O3 C9 C10 159.6(3) . . . . ?
Eu1 O3 C9 C10 -60.0(3) . . . . ?
C11 O4 C10 C9 170.6(3) . . . . ?
Eu1 O4 C10 C9 -21.0(4) . . . . ?
O3 C9 C10 O4 50.6(4) . . . . ?
C10 O4 C11 C12 155.2(3) . . . . ?
Eu1 O4 C11 C12 -13.0(4) . . . . ?
C1 N1 C12 C11 -174.2(3) . . . . ?
C13 N1 C12 C11 62.6(4) . . . . ?
Eu1 N1 C12 C11 -60.1(3) . . . . ?
O4 C11 C12 N1 50.3(4) . . . . ?
C1 N1 C13 C14 147.6(3) . . . . ?
C12 N1 C13 C14 -91.4(4) . . . . ?
Eu1 N1 C13 C14 27.9(4) . . . . ?
C15 O5 C14 C13 -163.2(3) . . . . ?
Eu1 O5 C14 C13 49.7(4) . . . . ?
N1 C13 C14 O5 -49.9(4) . . . . ?
C14 O5 C15 C16 170.2(3) . . . . ?
Eu1 O5 C15 C16 -43.0(4) . . . . ?
C17 O6 C16 C15 -176.4(3) . . . . ?
Eu1 O6 C16 C15 -48.1(4) . . . . ?
O5 C15 C16 O6 59.4(4) . . . . ?
C16 O6 C17 C18 -172.6(3) . . . . ?
Eu1 O6 C17 C18 59.8(3) . . . . ?
C6 N2 C18 C17 -99.6(4) . . . . ?
C7 N2 C18 C17 138.4(3) . . . . ?
Eu1 N2 C18 C17 19.0(4) . . . . ?
O6 C17 C18 N2 -51.2(4) . . . . ?
