# Electronic Supplementary Material (ESI) for Materials Horizons.
# This journal is © The Royal Society of Chemistry 2022

####################################################################### 
# 
# This file contains crystal structure data downloaded from the 
# Cambridge Structural Database (CSD) hosted by the Cambridge 
# Crystallographic Data Centre (CCDC).
# 
# Full information about CCDC data access policies and citation 
# guidelines are available at http://www.ccdc.cam.ac.uk/access/V1 
# 
# Audit and citation data items may have been added by the CCDC. 
# Please retain this information to preserve the provenance of 
# this file and to allow appropriate attribution of the data. 
# 
#######################################################################

data_3
_audit_block_doi                 10.5517/ccdc.csd.cc2bp62b
_database_code_depnum_ccdc_archive 'CCDC 2165321'
loop_
_citation_id
_citation_doi
_citation_year
1 10.1039/D2QI01216B 2022
loop_
_audit_author_name
_audit_author_address
'Huanyu Liu'
;Peking University
China
;
_audit_update_record             
;
2022-04-08 deposited with the CCDC.	2022-11-29 downloaded from the CCDC.
;

_audit_creation_method           SHELXL-2014/7
_shelx_SHELXL_version_number     2014/7
_chemical_name_systematic        ?
_chemical_name_common            ?
_chemical_melting_point          ?
_chemical_formula_moiety         ?
_chemical_formula_sum            'C18 H36 Br2 Eu N2 O6'
_chemical_formula_weight         688.27

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'

_space_group_crystal_system      orthorhombic
_space_group_IT_number           18
_space_group_name_H-M_alt        'P 21 21 2'
_space_group_name_Hall           'P 2 2ab'

_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.
;

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'

_cell_length_a                   13.6795(3)
_cell_length_b                   17.7174(3)
_cell_length_c                   9.9143(2)
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_volume                     2402.88(8)
_cell_formula_units_Z            4
_cell_measurement_temperature    179.99(10)
_cell_measurement_reflns_used    7790
_cell_measurement_theta_min      2.3600
_cell_measurement_theta_max      29.2230

_exptl_crystal_description       block
_exptl_crystal_colour            colorless
_exptl_crystal_density_meas      ?
_exptl_crystal_density_method    ?
_exptl_crystal_density_diffrn    1.903
_exptl_crystal_F_000             1356
_exptl_transmission_factor_min   ?
_exptl_transmission_factor_max   ?
_exptl_crystal_size_max          0.18
_exptl_crystal_size_mid          0.16
_exptl_crystal_size_min          0.09
_exptl_absorpt_coefficient_mu    5.970
_shelx_estimated_absorpt_T_min   ?
_shelx_estimated_absorpt_T_max   ?
_exptl_absorpt_correction_T_min  0.71743
_exptl_absorpt_correction_T_max  1.00000
_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.
;
_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
;
_diffrn_ambient_temperature      179.99(10)
_diffrn_ambient_environment      N~2~
_diffrn_source                   'fine-focus sealed X-ray tube'
_diffrn_source_type              'Enhance (Mo) X-ray Source'
_diffrn_radiation_probe          x-ray
_diffrn_radiation_type           'Mo K\a'
_diffrn_radiation_wavelength     0.71073
_diffrn_radiation_monochromator  graphite
_diffrn_measurement_device       'four-circle diffractometer'
_diffrn_measurement_device_type  'XtaLAB AFC12 (RINC): Kappa single'
_diffrn_detector                 'CCD plate'
_diffrn_measurement_method       ?
_diffrn_detector_area_resol_mean ?
_diffrn_reflns_number            11809
_diffrn_reflns_av_unetI/netI     0.0321
_diffrn_reflns_av_R_equivalents  0.0213
_diffrn_reflns_limit_h_min       -18
_diffrn_reflns_limit_h_max       11
_diffrn_reflns_limit_k_min       -24
_diffrn_reflns_limit_k_max       20
_diffrn_reflns_limit_l_min       -13
_diffrn_reflns_limit_l_max       9
_diffrn_reflns_theta_min         2.354
_diffrn_reflns_theta_max         29.368
_diffrn_reflns_theta_full        25.242
_diffrn_measured_fraction_theta_max 0.924
_diffrn_measured_fraction_theta_full 0.999
_diffrn_reflns_Laue_measured_fraction_max 0.924
_diffrn_reflns_Laue_measured_fraction_full 0.999
_diffrn_reflns_point_group_measured_fraction_max 0.838
_diffrn_reflns_point_group_measured_fraction_full 0.956
_reflns_number_total             5554
_reflns_number_gt                5294
_reflns_threshold_expression     'I > 2σ(I)'
_reflns_Friedel_coverage         0.619
_reflns_Friedel_fraction_max     0.729
_reflns_Friedel_fraction_full    0.899

_reflns_special_details          
;
 Reflections were merged by SHELXL according to the crystal
 class for the calculation of statistics and refinement.
 
 _reflns_Friedel_fraction is defined as the number of unique
 Friedel pairs measured divided by the number that would be
 possible theoretically, ignoring centric projections and
 systematic absences.
;

_computing_data_collection       ?
_computing_cell_refinement       ?
_computing_data_reduction        ?
_computing_structure_solution    ?
_computing_structure_refinement  'SHELXL-2014/7 (Sheldrick, 2014)'
_computing_molecular_graphics    ?
_computing_publication_material  ?
_refine_special_details          ?
_refine_ls_structure_factor_coef Fsqd
_refine_ls_matrix_type           full
_refine_ls_weighting_scheme      calc
_refine_ls_weighting_details     
'w=1/[σ²(Fo²)+(0.0158P)²] where P=(Fo²+2Fc²)/3'
_atom_sites_solution_primary     dual
_atom_sites_solution_secondary   ?
_atom_sites_solution_hydrogens   geom
_refine_ls_hydrogen_treatment    constr
_refine_ls_extinction_method     none
_refine_ls_extinction_coef       .
_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)
_chemical_absolute_configuration ad
_refine_ls_number_reflns         5554
_refine_ls_number_parameters     263
_refine_ls_number_restraints     0
_refine_ls_R_factor_all          0.0218
_refine_ls_R_factor_gt           0.0196
_refine_ls_wR_factor_ref         0.0387
_refine_ls_wR_factor_gt          0.0382
_refine_ls_goodness_of_fit_ref   1.010
_refine_ls_restrained_S_all      1.010
_refine_ls_shift/su_max          0.001
_refine_ls_shift/su_mean         0.000

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 . .


_geom_special_details            
;
 All esds (except the esd in the dihedral angle between two l.s. planes)
 are estimated using the full covariance matrix.  The cell esds are taken
 into account individually in the estimation of esds in distances, angles
 and torsion angles; correlations between esds in cell parameters are only
 used when they are defined by crystal symmetry.  An approximate (isotropic)
 treatment of cell esds is used for estimating esds involving l.s. planes.
;

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_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_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) . . . . ?

_refine_diff_density_max         0.590
_refine_diff_density_min         -0.560
_refine_diff_density_rms         0.079

####################################################################### 
# 
# This file contains crystal structure data downloaded from the 
# Cambridge Structural Database (CSD) hosted by the Cambridge 
# Crystallographic Data Centre (CCDC).
# 
# Full information about CCDC data access policies and citation 
# guidelines are available at http://www.ccdc.cam.ac.uk/access/V1 
# 
# Audit and citation data items may have been added by the CCDC. 
# Please retain this information to preserve the provenance of 
# this file and to allow appropriate attribution of the data. 
# 
#######################################################################

data_3_CCDC1
_database_code_depnum_ccdc_archive 'CCDC 2164366'
loop_
_audit_author_name
_audit_author_address
'Huanyu Liu'
;Peking University
China
;
_audit_update_record             
;
2022-04-04 deposited with the CCDC.	2022-11-29 downloaded from the CCDC.
;

_audit_creation_method           SHELXL-2014/7
_shelx_SHELXL_version_number     2014/7
_chemical_name_systematic        ?
_chemical_name_common            ?
_chemical_melting_point          ?
_chemical_formula_moiety         ?
_chemical_formula_sum            'C20.65 H45.30 Br4 Eu Mn N2 O8'
_chemical_formula_weight         976.23

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'
Mn Mn 0.3368 0.7283 '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'

_space_group_crystal_system      monoclinic
_space_group_IT_number           14
_space_group_name_H-M_alt        'P 21/n'
_space_group_name_Hall           '-P 2yn'

_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.
;

loop_
_space_group_symop_operation_xyz
'x, y, z'
'-x+1/2, y+1/2, -z+1/2'
'-x, -y, -z'
'x-1/2, -y-1/2, z-1/2'

_cell_length_a                   16.7005(10)
_cell_length_b                   11.9358(4)
_cell_length_c                   16.9034(8)
_cell_angle_alpha                90
_cell_angle_beta                 108.602(6)
_cell_angle_gamma                90
_cell_volume                     3193.4(3)
_cell_formula_units_Z            4
_cell_measurement_temperature    180.00(10)
_cell_measurement_reflns_used    9883
_cell_measurement_theta_min      2.5030
_cell_measurement_theta_max      30.5930

_exptl_crystal_description       block
_exptl_crystal_colour            colorless
_exptl_crystal_density_meas      ?
_exptl_crystal_density_method    ?
_exptl_crystal_density_diffrn    2.031
_exptl_crystal_F_000             1901
_exptl_transmission_factor_min   ?
_exptl_transmission_factor_max   ?
_exptl_crystal_size_max          0.33
_exptl_crystal_size_mid          0.14
_exptl_crystal_size_min          0.13
_exptl_absorpt_coefficient_mu    7.388
_shelx_estimated_absorpt_T_min   ?
_shelx_estimated_absorpt_T_max   ?
_exptl_absorpt_correction_T_min  0.55559
_exptl_absorpt_correction_T_max  1.00000
_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.
;
_oxdiff_exptl_absorpt_empirical_full_min 0.798
_oxdiff_exptl_absorpt_empirical_full_max 1.741
_oxdiff_exptl_absorpt_empirical_details 
;
Empirical correction (ABSPACK) includes:
- Absorption correction using spherical harmonics
- Frame scaling
;
_diffrn_ambient_temperature      180.00(10)
_diffrn_ambient_environment      N~2~
_diffrn_source                   'fine-focus sealed X-ray tube'
_diffrn_source_type              'Enhance (Mo) X-ray Source'
_diffrn_radiation_probe          x-ray
_diffrn_radiation_type           'Mo K\a'
_diffrn_radiation_wavelength     0.71073
_diffrn_radiation_monochromator  mirror
_diffrn_measurement_device       'four-circle diffractometer'
_diffrn_measurement_device_type  'XtaLAB Synergy R, DW system, HyPix'
_diffrn_detector                 'CCD plate'
_diffrn_detector_type            HyPix
_diffrn_measurement_method       ?
_diffrn_detector_area_resol_mean ?
_diffrn_reflns_number            20114
_diffrn_reflns_av_unetI/netI     0.0338
_diffrn_reflns_av_R_equivalents  0.0305
_diffrn_reflns_limit_h_min       -18
_diffrn_reflns_limit_h_max       19
_diffrn_reflns_limit_k_min       -11
_diffrn_reflns_limit_k_max       14
_diffrn_reflns_limit_l_min       -19
_diffrn_reflns_limit_l_max       20
_diffrn_reflns_theta_min         2.543
_diffrn_reflns_theta_max         25.026
_diffrn_reflns_theta_full        25.026
_diffrn_measured_fraction_theta_max 0.998
_diffrn_measured_fraction_theta_full 0.998
_diffrn_reflns_Laue_measured_fraction_max 0.998
_diffrn_reflns_Laue_measured_fraction_full 0.998
_diffrn_reflns_point_group_measured_fraction_max 0.998
_diffrn_reflns_point_group_measured_fraction_full 0.998
_reflns_number_total             5639
_reflns_number_gt                4740
_reflns_threshold_expression     'I > 2σ(I)'
_reflns_Friedel_coverage         0.000
_reflns_Friedel_fraction_max     .
_reflns_Friedel_fraction_full    .

_reflns_special_details          
;
 Reflections were merged by SHELXL according to the crystal
 class for the calculation of statistics and refinement.
 
 _reflns_Friedel_fraction is defined as the number of unique
 Friedel pairs measured divided by the number that would be
 possible theoretically, ignoring centric projections and
 systematic absences.
;

_computing_data_collection       ?
_computing_cell_refinement       ?
_computing_data_reduction        ?
_computing_structure_solution    ?
_computing_structure_refinement  'SHELXL-2014/7 (Sheldrick, 2014)'
_computing_molecular_graphics    ?
_computing_publication_material  ?
_refine_special_details          ?
_refine_ls_structure_factor_coef Fsqd
_refine_ls_matrix_type           full
_refine_ls_weighting_scheme      calc
_refine_ls_weighting_details     
'w=1/[σ²(Fo²)+(0.0176P)²+127.4687P] where P=(Fo²+2Fc²)/3'
_atom_sites_solution_primary     dual
_atom_sites_solution_secondary   ?
_atom_sites_solution_hydrogens   geom
_refine_ls_hydrogen_treatment    constr
_refine_ls_extinction_method     none
_refine_ls_extinction_coef       .
_refine_ls_number_reflns         5639
_refine_ls_number_parameters     360
_refine_ls_number_restraints     125
_refine_ls_R_factor_all          0.0735
_refine_ls_R_factor_gt           0.0621
_refine_ls_wR_factor_ref         0.1524
_refine_ls_wR_factor_gt          0.1473
_refine_ls_goodness_of_fit_ref   1.065
_refine_ls_restrained_S_all      1.055
_refine_ls_shift/su_max          0.003
_refine_ls_shift/su_mean         0.000

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 0.45785(3) 0.75878(4) 0.71748(3) 0.01682(15) Uani 1 1 d . . . . .
O1A O 0.3078(11) 0.7987(18) 0.7528(11) 0.038(4) Uani 0.552(18) 1 d D U P A 1
O1B O 0.3085(14) 0.736(2) 0.7517(14) 0.038(4) Uani 0.448(18) 1 d D U P A 2
O2 O 0.3066(5) 0.7956(7) 0.5963(5) 0.0323(19) Uani 1 1 d . U . . .
O3 O 0.5801(5) 0.8428(6) 0.6600(5) 0.0241(17) Uani 1 1 d . U . . .
O4 O 0.5808(5) 0.8928(7) 0.8174(5) 0.0298(18) Uani 1 1 d . U . . .
O5 O 0.4455(5) 0.5770(7) 0.8104(5) 0.0283(18) Uani 1 1 d . U . . .
O6 O 0.4128(5) 0.5535(6) 0.6428(5) 0.0252(17) Uani 1 1 d . U . . .
O7A O 0.4233(13) 0.9697(19) 0.7094(18) 0.026(5) Uani 0.65(3) 1 d D U P A 1
H7C H 0.4702 1.0096 0.7416 0.031 Uiso 0.65(3) 1 calc R U P A 1
O7B O 0.439(3) 0.992(4) 0.703(4) 0.026(5) Uani 0.35(3) 1 d D U P A 2
H7D H 0.4844 1.0290 0.7409 0.031 Uiso 0.35(3) 1 calc R U P A 2
O8 O 0.5926(5) 0.6315(7) 0.7691(5) 0.0289(18) Uani 1 1 d . U . . .
H8 H 0.5942 0.5930 0.8174 0.035 Uiso 1 1 calc R U . . .
N1 N 0.4588(6) 0.7932(8) 0.8883(6) 0.029(2) Uani 1 1 d . U . . .
N2 N 0.4399(6) 0.7388(8) 0.5448(5) 0.024(2) Uani 1 1 d . U . . .
C1A C 0.3849(17) 0.842(3) 0.896(2) 0.036(6) Uani 0.552(18) 1 d D U P A 1
H1AA H 0.3845 0.9214 0.8843 0.043 Uiso 0.552(18) 1 calc R U P A 1
H1AB H 0.3845 0.8331 0.9531 0.043 Uiso 0.552(18) 1 calc R U P A 1
C1B C 0.366(2) 0.802(3) 0.892(2) 0.036(6) Uani 0.448(18) 1 d D U P A 2
H1BA H 0.3512 0.7320 0.9126 0.043 Uiso 0.448(18) 1 calc R U P A 2
H1BB H 0.3638 0.8609 0.9306 0.043 Uiso 0.448(18) 1 calc R U P A 2
C2A C 0.3073(18) 0.788(3) 0.8373(14) 0.058(7) Uani 0.552(18) 1 d D U P A 1
H2AA H 0.3058 0.7095 0.8513 0.070 Uiso 0.552(18) 1 calc R U P A 1
H2AB H 0.2572 0.8239 0.8429 0.070 Uiso 0.552(18) 1 calc R U P A 1
C2B C 0.304(2) 0.827(3) 0.807(2) 0.058(7) Uani 0.448(18) 1 d D U P A 2
H2BA H 0.2473 0.8327 0.8105 0.070 Uiso 0.448(18) 1 calc R U P A 2
H2BB H 0.3180 0.8974 0.7859 0.070 Uiso 0.448(18) 1 calc R U P A 2
C3A C 0.237(2) 0.744(3) 0.695(2) 0.051(8) Uani 0.552(18) 1 d D U P A 1
H3AA H 0.1864 0.7614 0.7096 0.061 Uiso 0.552(18) 1 calc R U P A 1
H3AB H 0.2454 0.6639 0.6991 0.061 Uiso 0.552(18) 1 calc R U P A 1
C3B C 0.238(3) 0.719(4) 0.678(2) 0.051(8) Uani 0.448(18) 1 d D U P A 2
H3BA H 0.1863 0.7142 0.6926 0.061 Uiso 0.448(18) 1 calc R U P A 2
H3BB H 0.2444 0.6492 0.6514 0.061 Uiso 0.448(18) 1 calc R U P A 2
C4A C 0.226(4) 0.783(3) 0.607(2) 0.042(7) Uani 0.552(18) 1 d D U P A 1
H4AA H 0.1925 0.7292 0.5678 0.051 Uiso 0.552(18) 1 calc R U P A 1
H4AB H 0.1964 0.8545 0.5973 0.051 Uiso 0.552(18) 1 calc R U P A 1
C4B C 0.229(5) 0.814(4) 0.616(3) 0.042(7) Uani 0.448(18) 1 d D . P A 2
H4BA H 0.1792 0.8061 0.5672 0.051 Uiso 0.448(18) 1 calc R U P A 2
H4BB H 0.2283 0.8870 0.6413 0.051 Uiso 0.448(18) 1 calc R U P A 2
C5 C 0.2998(9) 0.8299(13) 0.5126(8) 0.045(4) Uani 1 1 d . . . . .
H5A H 0.2731 0.9029 0.5009 0.055 Uiso 1 1 calc R U . . .
H5B H 0.2655 0.7767 0.4726 0.055 Uiso 1 1 calc R U . . .
C6 C 0.3863(9) 0.8349(11) 0.5059(7) 0.038(3) Uani 1 1 d . . . . .
H6A H 0.3820 0.8381 0.4473 0.046 Uiso 1 1 calc R U . . .
H6B H 0.4134 0.9033 0.5320 0.046 Uiso 1 1 calc R U . . .
C7 C 0.5224(8) 0.7475(11) 0.5312(8) 0.034(3) Uani 1 1 d . . . . .
H7A H 0.5134 0.7528 0.4718 0.041 Uiso 1 1 calc R U . . .
H7B H 0.5543 0.6796 0.5514 0.041 Uiso 1 1 calc R U . . .
C8 C 0.5741(8) 0.8476(10) 0.5745(8) 0.034(3) Uani 1 1 d . . . . .
H8A H 0.6300 0.8450 0.5687 0.041 Uiso 1 1 calc R U . . .
H8B H 0.5469 0.9167 0.5497 0.041 Uiso 1 1 calc R U . . .
C9 C 0.6348(8) 0.9298(11) 0.7059(8) 0.036(3) Uani 1 1 d . . . . .
H9A H 0.6066 1.0018 0.6940 0.043 Uiso 1 1 calc R U . . .
H9B H 0.6858 0.9332 0.6901 0.043 Uiso 1 1 calc R U . . .
C10 C 0.6565(8) 0.9031(11) 0.7966(8) 0.037(3) Uani 1 1 d . . . . .
H10A H 0.6881 0.8336 0.8089 0.045 Uiso 1 1 calc R U . . .
H10B H 0.6914 0.9622 0.8296 0.045 Uiso 1 1 calc R U . . .
C11 C 0.5978(10) 0.8823(13) 0.9046(8) 0.053(4) Uani 1 1 d . . . . .
H11A H 0.6338 0.9436 0.9330 0.063 Uiso 1 1 calc R U . . .
H11B H 0.6275 0.8126 0.9238 0.063 Uiso 1 1 calc R U . . .
C12 C 0.5186(11) 0.8840(10) 0.9249(8) 0.048(4) Uani 1 1 d . . . . .
H12A H 0.4906 0.9550 0.9065 0.058 Uiso 1 1 calc R U . . .
H12B H 0.5324 0.8808 0.9851 0.058 Uiso 1 1 calc R U . . .
C13 C 0.4892(8) 0.6877(10) 0.9338(7) 0.028(3) Uani 1 1 d . . . . .
H13A H 0.4851 0.6942 0.9896 0.034 Uiso 1 1 calc R U . . .
H13B H 0.5485 0.6785 0.9394 0.034 Uiso 1 1 calc R U . . .
C14 C 0.4425(8) 0.5850(11) 0.8936(7) 0.032(3) Uani 1 1 d . . . . .
H14A H 0.4681 0.5191 0.9252 0.039 Uiso 1 1 calc R U . . .
H14B H 0.3842 0.5892 0.8928 0.039 Uiso 1 1 calc R U . . .
C15 C 0.4053(8) 0.4779(10) 0.7702(8) 0.031(3) Uani 1 1 d . . . . .
H15A H 0.3445 0.4868 0.7533 0.037 Uiso 1 1 calc R U . . .
H15B H 0.4208 0.4150 0.8084 0.037 Uiso 1 1 calc R U . . .
C16 C 0.4320(8) 0.4560(9) 0.6957(8) 0.032(3) Uani 1 1 d . . . . .
H16A H 0.4922 0.4407 0.7128 0.038 Uiso 1 1 calc R U . . .
H16B H 0.4022 0.3913 0.6656 0.038 Uiso 1 1 calc R U . . .
C17 C 0.4357(8) 0.5358(9) 0.5695(7) 0.028(3) Uani 1 1 d . . . . .
H17A H 0.4126 0.4652 0.5436 0.033 Uiso 1 1 calc R U . . .
H17B H 0.4967 0.5328 0.5837 0.033 Uiso 1 1 calc R U . . .
C18 C 0.4016(8) 0.6300(10) 0.5108(7) 0.031(3) Uani 1 1 d . . . . .
H18A H 0.4122 0.6154 0.4586 0.037 Uiso 1 1 calc R U . . .
H18B H 0.3409 0.6342 0.4992 0.037 Uiso 1 1 calc R U . . .
C19A C 0.3549(15) 1.0459(19) 0.6711(15) 0.034(6) Uani 0.65(3) 1 d D . P A 1
H19A H 0.3357 1.0804 0.7139 0.040 Uiso 0.65(3) 1 calc R U P A 1
H19B H 0.3079 1.0051 0.6334 0.040 Uiso 0.65(3) 1 calc R U P A 1
C19B C 0.378(3) 1.070(4) 0.652(3) 0.034(6) Uani 0.35(3) 1 d D . P A 2
H19C H 0.3942 1.0900 0.6038 0.050 Uiso 0.35(3) 1 calc R U P A 2
H19D H 0.3765 1.1358 0.6836 0.050 Uiso 0.35(3) 1 calc R U P A 2
H19E H 0.3235 1.0353 0.6337 0.050 Uiso 0.35(3) 1 calc R U P A 2
C20A C 0.3841(19) 1.135(2) 0.6238(15) 0.062(9) Uani 0.65(3) 1 d D . P A 1
H20A H 0.4043 1.1005 0.5824 0.093 Uiso 0.65(3) 1 calc R U P A 1
H20B H 0.4289 1.1775 0.6617 0.093 Uiso 0.65(3) 1 calc R U P A 1
H20C H 0.3378 1.1839 0.5969 0.093 Uiso 0.65(3) 1 calc R U P A 1
C21 C 0.6644(8) 0.6045(10) 0.7441(9) 0.037(3) Uani 1 1 d . . . . .
H21A H 0.6707 0.6598 0.7053 0.055 Uiso 1 1 calc R U . . .
H21B H 0.6564 0.5321 0.7180 0.055 Uiso 1 1 calc R U . . .
H21C H 0.7141 0.6034 0.7922 0.055 Uiso 1 1 calc R U . . .
Br1 Br 0.75129(9) 0.14575(13) 0.95540(9) 0.0447(4) Uani 1 1 d . . . . .
Br2 Br 0.64445(11) 0.44452(13) 0.92606(10) 0.0544(4) Uani 1 1 d . . . . .
Br3 Br 0.49417(11) 0.18041(14) 0.85117(11) 0.0562(4) Uani 1 1 d . . . . .
Br4 Br 0.63472(10) 0.27091(14) 0.71717(9) 0.0488(4) Uani 1 1 d . . . . .
Mn1 Mn 0.63363(10) 0.25769(14) 0.86125(10) 0.0222(4) Uani 1 1 d . . . . .


_geom_special_details            
;
 All esds (except the esd in the dihedral angle between two l.s. planes)
 are estimated using the full covariance matrix.  The cell esds are taken
 into account individually in the estimation of esds in distances, angles
 and torsion angles; correlations between esds in cell parameters are only
 used when they are defined by crystal symmetry.  An approximate (isotropic)
 treatment of cell esds is used for estimating esds involving l.s. planes.
;

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 O7A 2.58(2) . ?
Eu1 O8 2.624(7) . ?
Eu1 O3 2.717(7) . ?
Eu1 O4 2.723(8) . ?
Eu1 O5 2.725(7) . ?
Eu1 O2 2.733(8) . ?
Eu1 O1B 2.75(2) . ?
Eu1 O6 2.749(7) . ?
Eu1 O7B 2.80(4) . ?
Eu1 O1A 2.797(19) . ?
Eu1 N2 2.848(9) . ?
Eu1 N1 2.912(9) . ?
O1A C3A 1.423(18) . ?
O1A C2A 1.436(18) . ?
O1B C3B 1.437(19) . ?
O1B C2B 1.451(19) . ?
O2 C4A 1.43(6) . ?
O2 C5 1.441(16) . ?
O2 C4B 1.45(8) . ?
O3 C8 1.418(14) . ?
O3 C9 1.436(14) . ?
O4 C11 1.415(15) . ?
O4 C10 1.421(15) . ?
O5 C15 1.422(14) . ?
O5 C14 1.426(13) . ?
O6 C17 1.425(13) . ?
O6 C16 1.440(14) . ?
O7A C19A 1.441(16) . ?
O7A H7C 0.9300 . ?
O7B C19B 1.447(19) . ?
O7B H7D 0.9300 . ?
O8 C21 1.428(14) . ?
O8 H8 0.9300 . ?
N1 C1A 1.41(3) . ?
N1 C12 1.470(17) . ?
N1 C13 1.479(14) . ?
N1 C1B 1.57(4) . ?
N2 C6 1.474(15) . ?
N2 C18 1.481(14) . ?
N2 C7 1.470(15) . ?
C1A C2A 1.502(19) . ?
C1A H1AA 0.9700 . ?
C1A H1AB 0.9700 . ?
C1B C2B 1.512(19) . ?
C1B H1BA 0.9700 . ?
C1B H1BB 0.9700 . ?
C2A H2AA 0.9700 . ?
C2A H2AB 0.9700 . ?
C2B H2BA 0.9700 . ?
C2B H2BB 0.9700 . ?
C3A C4A 1.513(19) . ?
C3A H3AA 0.9700 . ?
C3A H3AB 0.9700 . ?
C3B C4B 1.52(2) . ?
C3B H3BA 0.9700 . ?
C3B H3BB 0.9700 . ?
C4A H4AA 0.9700 . ?
C4A H4AB 0.9700 . ?
C4B H4BA 0.9700 . ?
C4B H4BB 0.9700 . ?
C5 C6 1.49(2) . ?
C5 H5A 0.9700 . ?
C5 H5B 0.9700 . ?
C6 H6A 0.9700 . ?
C6 H6B 0.9700 . ?
C7 C8 1.518(17) . ?
C7 H7A 0.9700 . ?
C7 H7B 0.9700 . ?
C8 H8A 0.9700 . ?
C8 H8B 0.9700 . ?
C9 C10 1.494(19) . ?
C9 H9A 0.9700 . ?
C9 H9B 0.9700 . ?
C10 H10A 0.9700 . ?
C10 H10B 0.9700 . ?
C11 C12 1.47(2) . ?
C11 H11A 0.9700 . ?
C11 H11B 0.9700 . ?
C12 H12A 0.9700 . ?
C12 H12B 0.9700 . ?
C13 C14 1.495(17) . ?
C13 H13A 0.9700 . ?
C13 H13B 0.9700 . ?
C14 H14A 0.9700 . ?
C14 H14B 0.9700 . ?
C15 C16 1.487(17) . ?
C15 H15A 0.9700 . ?
C15 H15B 0.9700 . ?
C16 H16A 0.9700 . ?
C16 H16B 0.9700 . ?
C17 C18 1.488(17) . ?
C17 H17A 0.9700 . ?
C17 H17B 0.9700 . ?
C18 H18A 0.9700 . ?
C18 H18B 0.9700 . ?
C19A C20A 1.503(18) . ?
C19A H19A 0.9700 . ?
C19A H19B 0.9700 . ?
C19B H19C 0.9600 . ?
C19B H19D 0.9600 . ?
C19B H19E 0.9600 . ?
C20A H20A 0.9600 . ?
C20A H20B 0.9600 . ?
C20A H20C 0.9600 . ?
C21 H21A 0.9600 . ?
C21 H21B 0.9600 . ?
C21 H21C 0.9600 . ?
Br1 Mn1 2.487(2) . ?
Br2 Mn1 2.465(2) . ?
Br3 Mn1 2.460(2) . ?
Br4 Mn1 2.446(2) . ?

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
O7A Eu1 O8 137.5(5) . . ?
O7A Eu1 O3 78.5(6) . . ?
O8 Eu1 O3 70.7(2) . . ?
O7A Eu1 O4 64.6(5) . . ?
O8 Eu1 O4 74.7(3) . . ?
O3 Eu1 O4 60.1(2) . . ?
O7A Eu1 O5 138.8(7) . . ?
O8 Eu1 O5 64.0(2) . . ?
O3 Eu1 O5 134.7(2) . . ?
O4 Eu1 O5 106.9(2) . . ?
O7A Eu1 O2 70.4(6) . . ?
O8 Eu1 O2 146.3(3) . . ?
O3 Eu1 O2 107.0(2) . . ?
O4 Eu1 O2 134.8(2) . . ?
O5 Eu1 O2 109.8(3) . . ?
O8 Eu1 O1B 127.8(6) . . ?
O3 Eu1 O1B 161.4(6) . . ?
O4 Eu1 O1B 118.9(5) . . ?
O5 Eu1 O1B 63.8(6) . . ?
O2 Eu1 O1B 59.3(5) . . ?
O7A Eu1 O6 145.3(6) . . ?
O8 Eu1 O6 73.5(2) . . ?
O3 Eu1 O6 107.0(2) . . ?
O4 Eu1 O6 148.2(2) . . ?
O5 Eu1 O6 59.7(2) . . ?
O2 Eu1 O6 75.3(2) . . ?
O1B Eu1 O6 82.8(5) . . ?
O8 Eu1 O7B 131.5(9) . . ?
O3 Eu1 O7B 71.1(11) . . ?
O4 Eu1 O7B 60.7(10) . . ?
O5 Eu1 O7B 144.6(13) . . ?
O2 Eu1 O7B 74.0(10) . . ?
O1B Eu1 O7B 92.1(11) . . ?
O6 Eu1 O7B 147.0(11) . . ?
O7A Eu1 O1A 69.1(7) . . ?
O8 Eu1 O1A 139.5(4) . . ?
O3 Eu1 O1A 147.2(5) . . ?
O4 Eu1 O1A 108.5(5) . . ?
O5 Eu1 O1A 77.0(4) . . ?
O2 Eu1 O1A 57.0(4) . . ?
O6 Eu1 O1A 96.7(5) . . ?
O7A Eu1 N2 94.5(7) . . ?
O8 Eu1 N2 95.2(3) . . ?
O3 Eu1 N2 60.6(2) . . ?
O4 Eu1 N2 119.8(3) . . ?
O5 Eu1 N2 121.4(3) . . ?
O2 Eu1 N2 58.3(2) . . ?
O1B Eu1 N2 113.7(5) . . ?
O6 Eu1 N2 62.0(2) . . ?
O7B Eu1 N2 91.2(13) . . ?
O1A Eu1 N2 115.2(4) . . ?
O7A Eu1 N1 81.1(7) . . ?
O8 Eu1 N1 91.1(3) . . ?
O3 Eu1 N1 122.4(3) . . ?
O4 Eu1 N1 62.4(3) . . ?
O5 Eu1 N1 61.2(3) . . ?
O2 Eu1 N1 115.6(3) . . ?
O1B Eu1 N1 61.5(5) . . ?
O6 Eu1 N1 119.7(3) . . ?
O7B Eu1 N1 85.0(13) . . ?
O1A Eu1 N1 59.0(4) . . ?
N2 Eu1 N1 173.6(3) . . ?
C3A O1A C2A 112(2) . . ?
C3A O1A Eu1 112(2) . . ?
C2A O1A Eu1 119.1(16) . . ?
C3B O1B C2B 118(3) . . ?
C3B O1B Eu1 112(3) . . ?
C2B O1B Eu1 107(2) . . ?
C4A O2 C5 112.1(17) . . ?
C5 O2 C4B 112(2) . . ?
C4A O2 Eu1 124.8(16) . . ?
C5 O2 Eu1 123.1(7) . . ?
C4B O2 Eu1 122(2) . . ?
C8 O3 C9 110.3(9) . . ?
C8 O3 Eu1 124.2(7) . . ?
C9 O3 Eu1 119.7(7) . . ?
C11 O4 C10 111.4(10) . . ?
C11 O4 Eu1 117.1(7) . . ?
C10 O4 Eu1 116.9(7) . . ?
C15 O5 C14 111.6(9) . . ?
C15 O5 Eu1 119.8(6) . . ?
C14 O5 Eu1 123.2(7) . . ?
C17 O6 C16 110.6(8) . . ?
C17 O6 Eu1 114.9(6) . . ?
C16 O6 Eu1 117.5(6) . . ?
C19A O7A Eu1 140.6(16) . . ?
C19A O7A H7C 109.7 . . ?
Eu1 O7A H7C 109.7 . . ?
C19B O7B Eu1 137(4) . . ?
C19B O7B H7D 111.7 . . ?
Eu1 O7B H7D 111.7 . . ?
C21 O8 Eu1 138.1(7) . . ?
C21 O8 H8 111.0 . . ?
Eu1 O8 H8 111.0 . . ?
C1A N1 C12 98.9(14) . . ?
C1A N1 C13 117.9(15) . . ?
C12 N1 C13 109.5(9) . . ?
C12 N1 C1B 118.7(17) . . ?
C13 N1 C1B 102.4(15) . . ?
C1A N1 Eu1 115.1(13) . . ?
C12 N1 Eu1 108.0(7) . . ?
C13 N1 Eu1 106.7(6) . . ?
C1B N1 Eu1 110.8(14) . . ?
C6 N2 C18 112.5(9) . . ?
C6 N2 C7 110.0(10) . . ?
C18 N2 C7 108.2(9) . . ?
C6 N2 Eu1 104.0(6) . . ?
C18 N2 Eu1 111.2(7) . . ?
C7 N2 Eu1 110.9(7) . . ?
N1 C1A C2A 111(2) . . ?
N1 C1A H1AA 109.4 . . ?
C2A C1A H1AA 109.4 . . ?
N1 C1A H1AB 109.4 . . ?
C2A C1A H1AB 109.4 . . ?
H1AA C1A H1AB 108.0 . . ?
C2B C1B N1 111(3) . . ?
C2B C1B H1BA 109.3 . . ?
N1 C1B H1BA 109.3 . . ?
C2B C1B H1BB 109.3 . . ?
N1 C1B H1BB 109.3 . . ?
H1BA C1B H1BB 108.0 . . ?
O1A C2A C1A 110(2) . . ?
O1A C2A H2AA 109.6 . . ?
C1A C2A H2AA 109.6 . . ?
O1A C2A H2AB 109.6 . . ?
C1A C2A H2AB 109.6 . . ?
H2AA C2A H2AB 108.2 . . ?
O1B C2B C1B 108(3) . . ?
O1B C2B H2BA 110.2 . . ?
C1B C2B H2BA 110.2 . . ?
O1B C2B H2BB 110.2 . . ?
C1B C2B H2BB 110.2 . . ?
H2BA C2B H2BB 108.5 . . ?
O1A C3A C4A 110(3) . . ?
O1A C3A H3AA 109.6 . . ?
C4A C3A H3AA 109.6 . . ?
O1A C3A H3AB 109.6 . . ?
C4A C3A H3AB 109.6 . . ?
H3AA C3A H3AB 108.1 . . ?
O1B C3B C4B 112(4) . . ?
O1B C3B H3BA 109.3 . . ?
C4B C3B H3BA 109.3 . . ?
O1B C3B H3BB 109.3 . . ?
C4B C3B H3BB 109.3 . . ?
H3BA C3B H3BB 108.0 . . ?
O2 C4A C3A 110(4) . . ?
O2 C4A H4AA 109.7 . . ?
C3A C4A H4AA 109.7 . . ?
O2 C4A H4AB 109.7 . . ?
C3A C4A H4AB 109.7 . . ?
H4AA C4A H4AB 108.2 . . ?
O2 C4B C3B 98(4) . . ?
O2 C4B H4BA 112.1 . . ?
C3B C4B H4BA 112.1 . . ?
O2 C4B H4BB 112.1 . . ?
C3B C4B H4BB 112.1 . . ?
H4BA C4B H4BB 109.7 . . ?
O2 C5 C6 108.2(10) . . ?
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 113.7(11) . . ?
N2 C6 H6A 108.8 . . ?
C5 C6 H6A 108.8 . . ?
N2 C6 H6B 108.8 . . ?
C5 C6 H6B 108.8 . . ?
H6A C6 H6B 107.7 . . ?
N2 C7 C8 113.5(10) . . ?
N2 C7 H7A 108.9 . . ?
C8 C7 H7A 108.9 . . ?
N2 C7 H7B 108.9 . . ?
C8 C7 H7B 108.9 . . ?
H7A C7 H7B 107.7 . . ?
O3 C8 C7 107.7(9) . . ?
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 107.7(10) . . ?
O3 C9 H9A 110.2 . . ?
C10 C9 H9A 110.2 . . ?
O3 C9 H9B 110.2 . . ?
C10 C9 H9B 110.2 . . ?
H9A C9 H9B 108.5 . . ?
O4 C10 C9 109.2(10) . . ?
O4 C10 H10A 109.8 . . ?
C9 C10 H10A 109.8 . . ?
O4 C10 H10B 109.8 . . ?
C9 C10 H10B 109.8 . . ?
H10A C10 H10B 108.3 . . ?
O4 C11 C12 110.2(12) . . ?
O4 C11 H11A 109.6 . . ?
C12 C11 H11A 109.6 . . ?
O4 C11 H11B 109.6 . . ?
C12 C11 H11B 109.6 . . ?
H11A C11 H11B 108.1 . . ?
C11 C12 N1 115.7(11) . . ?
C11 C12 H12A 108.4 . . ?
N1 C12 H12A 108.4 . . ?
C11 C12 H12B 108.4 . . ?
N1 C12 H12B 108.4 . . ?
H12A C12 H12B 107.4 . . ?
N1 C13 C14 114.8(10) . . ?
N1 C13 H13A 108.6 . . ?
C14 C13 H13A 108.6 . . ?
N1 C13 H13B 108.6 . . ?
C14 C13 H13B 108.6 . . ?
H13A C13 H13B 107.6 . . ?
O5 C14 C13 109.0(9) . . ?
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 109.1(9) . . ?
O5 C15 H15A 109.9 . . ?
C16 C15 H15A 109.9 . . ?
O5 C15 H15B 109.9 . . ?
C16 C15 H15B 109.9 . . ?
H15A C15 H15B 108.3 . . ?
O6 C16 C15 108.4(9) . . ?
O6 C16 H16A 110.0 . . ?
C15 C16 H16A 110.0 . . ?
O6 C16 H16B 110.0 . . ?
C15 C16 H16B 110.0 . . ?
H16A C16 H16B 108.4 . . ?
O6 C17 C18 108.4(9) . . ?
O6 C17 H17A 110.0 . . ?
C18 C17 H17A 110.0 . . ?
O6 C17 H17B 110.0 . . ?
C18 C17 H17B 110.0 . . ?
H17A C17 H17B 108.4 . . ?
N2 C18 C17 112.2(9) . . ?
N2 C18 H18A 109.2 . . ?
C17 C18 H18A 109.2 . . ?
N2 C18 H18B 109.2 . . ?
C17 C18 H18B 109.2 . . ?
H18A C18 H18B 107.9 . . ?
O7A C19A C20A 109.9(19) . . ?
O7A C19A H19A 109.7 . . ?
C20A C19A H19A 109.7 . . ?
O7A C19A H19B 109.7 . . ?
C20A C19A H19B 109.7 . . ?
H19A C19A H19B 108.2 . . ?
O7B C19B H19C 109.5 . . ?
O7B C19B H19D 109.5 . . ?
H19C C19B H19D 109.5 . . ?
O7B C19B H19E 109.5 . . ?
H19C C19B H19E 109.5 . . ?
H19D C19B H19E 109.5 . . ?
C19A C20A H20A 109.5 . . ?
C19A C20A H20B 109.5 . . ?
H20A C20A H20B 109.5 . . ?
C19A C20A H20C 109.5 . . ?
H20A C20A H20C 109.5 . . ?
H20B C20A H20C 109.5 . . ?
O8 C21 H21A 109.5 . . ?
O8 C21 H21B 109.5 . . ?
H21A C21 H21B 109.5 . . ?
O8 C21 H21C 109.5 . . ?
H21A C21 H21C 109.5 . . ?
H21B C21 H21C 109.5 . . ?
Br4 Mn1 Br3 105.23(8) . . ?
Br4 Mn1 Br2 111.18(8) . . ?
Br3 Mn1 Br2 107.67(8) . . ?
Br4 Mn1 Br1 114.61(8) . . ?
Br3 Mn1 Br1 112.35(8) . . ?
Br2 Mn1 Br1 105.70(8) . . ?

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 C1A C2A 160(2) . . . . ?
C13 N1 C1A C2A -83(3) . . . . ?
Eu1 N1 C1A C2A 45(3) . . . . ?
C12 N1 C1B C2B 108(3) . . . . ?
C13 N1 C1B C2B -131(2) . . . . ?
Eu1 N1 C1B C2B -18(3) . . . . ?
C3A O1A C2A C1A 177(3) . . . . ?
Eu1 O1A C2A C1A 43(4) . . . . ?
N1 C1A C2A O1A -58(4) . . . . ?
C3B O1B C2B C1B 159(3) . . . . ?
Eu1 O1B C2B C1B -73(3) . . . . ?
N1 C1B C2B O1B 60(4) . . . . ?
C2A O1A C3A C4A 164(3) . . . . ?
Eu1 O1A C3A C4A -59(4) . . . . ?
C2B O1B C3B C4B 68(6) . . . . ?
Eu1 O1B C3B C4B -57(5) . . . . ?
C5 O2 C4A C3A 179(2) . . . . ?
Eu1 O2 C4A C3A -1(3) . . . . ?
O1A C3A C4A O2 39(4) . . . . ?
C5 O2 C4B C3B 150(2) . . . . ?
Eu1 O2 C4B C3B -47(4) . . . . ?
O1B C3B C4B O2 66(4) . . . . ?
C4A O2 C5 C6 -177.2(18) . . . . ?
C4B O2 C5 C6 166(2) . . . . ?
Eu1 O2 C5 C6 2.7(14) . . . . ?
C18 N2 C6 C5 56.3(13) . . . . ?
C7 N2 C6 C5 177.0(10) . . . . ?
Eu1 N2 C6 C5 -64.2(11) . . . . ?
O2 C5 C6 N2 43.5(15) . . . . ?
C6 N2 C7 C8 65.2(13) . . . . ?
C18 N2 C7 C8 -171.5(10) . . . . ?
Eu1 N2 C7 C8 -49.3(12) . . . . ?
C9 O3 C8 C7 174.8(10) . . . . ?
Eu1 O3 C8 C7 -32.2(13) . . . . ?
N2 C7 C8 O3 53.7(14) . . . . ?
C8 O3 C9 C10 -165.5(10) . . . . ?
Eu1 O3 C9 C10 40.1(12) . . . . ?
C11 O4 C10 C9 -172.2(10) . . . . ?
Eu1 O4 C10 C9 49.4(12) . . . . ?
O3 C9 C10 O4 -56.8(13) . . . . ?
C10 O4 C11 C12 173.9(11) . . . . ?
Eu1 O4 C11 C12 -47.8(14) . . . . ?
O4 C11 C12 N1 61.2(15) . . . . ?
C1A N1 C12 C11 -161.1(17) . . . . ?
C13 N1 C12 C11 75.0(13) . . . . ?
C1B N1 C12 C11 -168.0(17) . . . . ?
Eu1 N1 C12 C11 -40.9(13) . . . . ?
C1A N1 C13 C14 78.4(17) . . . . ?
C12 N1 C13 C14 -169.6(10) . . . . ?
C1B N1 C13 C14 63.5(18) . . . . ?
Eu1 N1 C13 C14 -52.9(11) . . . . ?
C15 O5 C14 C13 177.3(10) . . . . ?
Eu1 O5 C14 C13 -28.7(13) . . . . ?
N1 C13 C14 O5 56.2(13) . . . . ?
C14 O5 C15 C16 -163.1(10) . . . . ?
Eu1 O5 C15 C16 41.9(12) . . . . ?
C17 O6 C16 C15 -178.8(9) . . . . ?
Eu1 O6 C16 C15 46.5(11) . . . . ?
O5 C15 C16 O6 -56.0(13) . . . . ?
C16 O6 C17 C18 170.5(9) . . . . ?
Eu1 O6 C17 C18 -53.7(10) . . . . ?
C6 N2 C18 C17 -157.4(10) . . . . ?
C7 N2 C18 C17 80.8(12) . . . . ?
Eu1 N2 C18 C17 -41.2(11) . . . . ?
O6 C17 C18 N2 64.1(12) . . . . ?
Eu1 O7A C19A C20A -126(2) . . . . ?

_refine_diff_density_max         2.835
_refine_diff_density_min         -3.251
_refine_diff_density_rms         0.258

####################################################################### 
# 
# This file contains crystal structure data downloaded from the 
# Cambridge Structural Database (CSD) hosted by the Cambridge 
# Crystallographic Data Centre (CCDC).
# 
# Full information about CCDC data access policies and citation 
# guidelines are available at http://www.ccdc.cam.ac.uk/access/V1 
# 
# Audit and citation data items may have been added by the CCDC. 
# Please retain this information to preserve the provenance of 
# this file and to allow appropriate attribution of the data. 
# 
#######################################################################

data_4
_database_code_depnum_ccdc_archive 'CCDC 2164368'
loop_
_audit_author_name
_audit_author_address
'Huanyu Liu'
;Peking University
China
;
_audit_update_record             
;
2022-04-04 deposited with the CCDC.	2022-11-29 downloaded from the CCDC.
;

_audit_creation_method           SHELXL-2014/7
_shelx_SHELXL_version_number     2014/7
_chemical_name_systematic        ?
_chemical_name_common            ?
_chemical_melting_point          ?
_chemical_formula_moiety         ?
_chemical_formula_sum            'C20 H45.11 Br2.89 Mn N2 O9.11 Sr'
_chemical_formula_weight         832.95

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'
Mn Mn 0.3368 0.7283 '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'
Sr Sr -1.5307 3.2498 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'

_space_group_crystal_system      monoclinic
_space_group_IT_number           14
_space_group_name_H-M_alt        'P 21/n'
_space_group_name_Hall           '-P 2yn'

_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.
;

loop_
_space_group_symop_operation_xyz
'x, y, z'
'-x+1/2, y+1/2, -z+1/2'
'-x, -y, -z'
'x-1/2, -y-1/2, z-1/2'

_cell_length_a                   11.5435(4)
_cell_length_b                   20.2186(5)
_cell_length_c                   13.5459(5)
_cell_angle_alpha                90
_cell_angle_beta                 91.420(3)
_cell_angle_gamma                90
_cell_volume                     3160.55(18)
_cell_formula_units_Z            4
_cell_measurement_temperature    180.00(10)
_cell_measurement_reflns_used    6645
_cell_measurement_theta_min      2.4780
_cell_measurement_theta_max      27.5770

_exptl_crystal_description       rod-like
_exptl_crystal_colour            colorless
_exptl_crystal_density_meas      ?
_exptl_crystal_density_method    ?
_exptl_crystal_density_diffrn    1.751
_exptl_crystal_F_000             1665
_exptl_transmission_factor_min   ?
_exptl_transmission_factor_max   ?
_exptl_crystal_size_max          0.18
_exptl_crystal_size_mid          0.04
_exptl_crystal_size_min          0.01
_exptl_absorpt_coefficient_mu    5.785
_shelx_estimated_absorpt_T_min   ?
_shelx_estimated_absorpt_T_max   ?
_exptl_absorpt_correction_T_min  0.75412
_exptl_absorpt_correction_T_max  1.00000
_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.
;
_oxdiff_exptl_absorpt_empirical_full_min 0.786
_oxdiff_exptl_absorpt_empirical_full_max 1.231
_oxdiff_exptl_absorpt_empirical_details 
;
Empirical correction (ABSPACK) includes:
- Absorption correction using spherical harmonics
- Frame scaling
;
_diffrn_ambient_temperature      180.00(10)
_diffrn_ambient_environment      N~2~
_diffrn_source                   'fine-focus sealed X-ray tube'
_diffrn_source_type              'Enhance (Mo) X-ray Source'
_diffrn_radiation_probe          x-ray
_diffrn_radiation_type           'Mo K\a'
_diffrn_radiation_wavelength     0.71073
_diffrn_radiation_monochromator  mirror
_diffrn_measurement_device       'four-circle diffractometer'
_diffrn_measurement_device_type  'XtaLAB Synergy R, DW system, HyPix'
_diffrn_detector                 'CCD plate'
_diffrn_detector_type            HyPix
_diffrn_measurement_method       ?
_diffrn_detector_area_resol_mean ?
_diffrn_reflns_number            23695
_diffrn_reflns_av_unetI/netI     0.0719
_diffrn_reflns_av_R_equivalents  0.0451
_diffrn_reflns_limit_h_min       -13
_diffrn_reflns_limit_h_max       14
_diffrn_reflns_limit_k_min       -28
_diffrn_reflns_limit_k_max       28
_diffrn_reflns_limit_l_min       -19
_diffrn_reflns_limit_l_max       17
_diffrn_reflns_theta_min         2.502
_diffrn_reflns_theta_max         30.706
_diffrn_reflns_theta_full        25.242
_diffrn_measured_fraction_theta_max 0.838
_diffrn_measured_fraction_theta_full 0.999
_diffrn_reflns_Laue_measured_fraction_max 0.838
_diffrn_reflns_Laue_measured_fraction_full 0.999
_diffrn_reflns_point_group_measured_fraction_max 0.838
_diffrn_reflns_point_group_measured_fraction_full 0.999
_reflns_number_total             8232
_reflns_number_gt                5215
_reflns_threshold_expression     'I > 2σ(I)'
_reflns_Friedel_coverage         0.000
_reflns_Friedel_fraction_max     .
_reflns_Friedel_fraction_full    .

_reflns_special_details          
;
 Reflections were merged by SHELXL according to the crystal
 class for the calculation of statistics and refinement.
 
 _reflns_Friedel_fraction is defined as the number of unique
 Friedel pairs measured divided by the number that would be
 possible theoretically, ignoring centric projections and
 systematic absences.
;

_computing_data_collection       ?
_computing_cell_refinement       ?
_computing_data_reduction        ?
_computing_structure_solution    ?
_computing_structure_refinement  'SHELXL-2014/7 (Sheldrick, 2014)'
_computing_molecular_graphics    ?
_computing_publication_material  ?
_refine_special_details          ?
_refine_ls_structure_factor_coef Fsqd
_refine_ls_matrix_type           full
_refine_ls_weighting_scheme      calc
_refine_ls_weighting_details     
'w=1/[σ²(Fo²)+(0.0450P)²+0.8842P] where P=(Fo²+2Fc²)/3'
_atom_sites_solution_primary     dual
_atom_sites_solution_secondary   ?
_atom_sites_solution_hydrogens   geom
_refine_ls_hydrogen_treatment    constr
_refine_ls_extinction_method     none
_refine_ls_extinction_coef       .
_refine_ls_number_reflns         8232
_refine_ls_number_parameters     422
_refine_ls_number_restraints     66
_refine_ls_R_factor_all          0.0971
_refine_ls_R_factor_gt           0.0482
_refine_ls_wR_factor_ref         0.1083
_refine_ls_wR_factor_gt          0.0945
_refine_ls_goodness_of_fit_ref   1.021
_refine_ls_restrained_S_all      1.024
_refine_ls_shift/su_max          0.001
_refine_ls_shift/su_mean         0.000

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
Sr1 Sr 0.76315(3) 0.41363(2) 0.25550(3) 0.02840(11) Uani 1 1 d . . . . .
Br1 Br 0.21955(8) 0.33743(4) 0.37111(7) 0.0443(2) Uani 0.794(3) 1 d . . P A 1
Br2 Br 0.14768(6) 0.15129(3) 0.25617(6) 0.0749(3) Uani 0.943(3) 1 d . . P A 1
Br3 Br 0.2093(3) 0.31761(15) 0.08508(17) 0.0494(3) Uani 0.671(2) 1 d . . P A 1
Br4 Br 0.45481(15) 0.22227(8) 0.24514(13) 0.0521(5) Uani 0.482(2) 1 d . . P A 1
O11 O 0.198(3) 0.3246(12) 0.3735(19) 0.0443(2) Uani 0.206(3) 1 d D . P A 2
H11 H 0.2545 0.3346 0.4076 0.066 Uiso 0.206(3) 1 calc R U P A 2
O12 O 0.179(7) 0.1480(19) 0.202(7) 0.0749(3) Uani 0.057(3) 1 d D . P A 2
H12 H 0.1125 0.1457 0.2204 0.112 Uiso 0.057(3) 1 calc R U P A 2
O13 O 0.213(4) 0.316(2) 0.087(2) 0.0494(3) Uani 0.329(2) 1 d D . P A 2
H13 H 0.2571 0.3479 0.0829 0.074 Uiso 0.329(2) 1 calc R U P A 2
O14 O 0.4633(10) 0.2333(6) 0.2187(9) 0.0521(5) Uani 0.518(2) 1 d D . P A 2
H14 H 0.4925 0.2239 0.2727 0.078 Uiso 0.518(2) 1 calc R U P A 2
Mn1 Mn 0.25657(5) 0.25702(3) 0.23729(5) 0.04071(18) Uani 1 1 d D . . . .
O1A O 0.8241(4) 0.37965(19) 0.4448(3) 0.0393(10) Uani 0.731(3) 1 d D . P B 1
O1B O 0.8116(12) 0.4094(6) 0.4503(11) 0.0393(10) Uani 0.269(3) 1 d D . P B 2
O2A O 0.8725(4) 0.29796(19) 0.2926(3) 0.0428(11) Uani 0.731(3) 1 d D . P B 1
O2B O 0.8908(13) 0.3139(6) 0.3363(10) 0.0428(11) Uani 0.269(3) 1 d D . P B 2
O3A O 0.8172(9) 0.4660(3) 0.0737(7) 0.072(2) Uani 0.731(3) 1 d D . P B 1
O3B O 0.835(3) 0.4402(11) 0.069(2) 0.072(2) Uani 0.269(3) 1 d D . P B 2
O4A O 0.8257(6) 0.5430(3) 0.2337(3) 0.0433(13) Uani 0.731(3) 1 d D . P B 1
O4B O 0.815(2) 0.5383(9) 0.1935(10) 0.0433(13) Uani 0.269(3) 1 d D . P B 2
O5A O 0.5596(4) 0.4874(2) 0.2669(4) 0.0408(10) Uani 0.731(3) 1 d D . P B 1
O5B O 0.5560(11) 0.4695(6) 0.2189(10) 0.0408(10) Uani 0.269(3) 1 d D . P B 2
O6A O 0.5769(4) 0.3875(2) 0.1345(3) 0.0461(11) Uani 0.731(3) 1 d D . P B 1
O6B O 0.6092(11) 0.3548(6) 0.1282(11) 0.0461(11) Uani 0.269(3) 1 d D . P B 2
O7 O 0.9900(2) 0.42476(12) 0.2676(2) 0.0509(8) Uani 1 1 d . . . . .
H7 H 1.0233 0.3939 0.3107 0.061 Uiso 1 1 calc R U . . .
O8 O 0.6070(2) 0.34040(12) 0.3398(2) 0.0416(7) Uani 1 1 d . . . . .
H8 H 0.5621 0.3190 0.2917 0.050 Uiso 1 1 calc R U . . .
N1A N 0.7450(4) 0.5097(2) 0.4117(4) 0.0390(12) Uani 0.731(3) 1 d D . P B 1
N1B N 0.7119(12) 0.5225(7) 0.3701(11) 0.0390(12) Uani 0.269(3) 1 d D . P B 2
N2A N 0.7928(5) 0.3259(3) 0.0922(4) 0.0551(16) Uani 0.731(3) 1 d D . P B 1
N2B N 0.8368(14) 0.3074(10) 0.1325(11) 0.0551(16) Uani 0.269(3) 1 d D . P B 2
C1A C 0.7370(7) 0.4765(3) 0.5077(5) 0.0507(17) Uani 0.731(3) 1 d D . P B 1
H1AA H 0.6613 0.4560 0.5117 0.061 Uiso 0.731(3) 1 calc R U P B 1
H1AB H 0.7432 0.5095 0.5595 0.061 Uiso 0.731(3) 1 calc R U P B 1
C1B C 0.6967(17) 0.5046(10) 0.4732(12) 0.0507(17) Uani 0.269(3) 1 d D . P B 2
H1BA H 0.6253 0.4797 0.4785 0.061 Uiso 0.269(3) 1 calc R U P B 2
H1BB H 0.6890 0.5447 0.5118 0.061 Uiso 0.269(3) 1 calc R U P B 2
C2A C 0.8279(6) 0.4248(3) 0.5259(4) 0.0529(17) Uani 0.731(3) 1 d D . P B 1
H2AA H 0.9038 0.4452 0.5315 0.063 Uiso 0.731(3) 1 calc R U P B 1
H2AB H 0.8132 0.4015 0.5869 0.063 Uiso 0.731(3) 1 calc R U P B 1
C2B C 0.7958(19) 0.4640(10) 0.5163(14) 0.0529(17) Uani 0.269(3) 1 d D . P B 2
H2BA H 0.8658 0.4904 0.5214 0.063 Uiso 0.269(3) 1 calc R U P B 2
H2BB H 0.7772 0.4482 0.5816 0.063 Uiso 0.269(3) 1 calc R U P B 2
C3A C 0.9003(6) 0.3259(3) 0.4616(5) 0.0501(19) Uani 0.731(3) 1 d D . P B 1
H3AA H 0.8938 0.3101 0.5289 0.060 Uiso 0.731(3) 1 calc R U P B 1
H3AB H 0.9797 0.3397 0.4521 0.060 Uiso 0.731(3) 1 calc R U P B 1
C3B C 0.9019(15) 0.3690(8) 0.4912(14) 0.0501(19) Uani 0.269(3) 1 d D . P B 2
H3BA H 0.8951 0.3647 0.5621 0.060 Uiso 0.269(3) 1 calc R U P B 2
H3BB H 0.9775 0.3871 0.4769 0.060 Uiso 0.269(3) 1 calc R U P B 2
C4A C 0.8690(6) 0.2725(3) 0.3914(5) 0.0548(19) Uani 0.731(3) 1 d D . P B 1
H4AA H 0.9231 0.2360 0.3990 0.066 Uiso 0.731(3) 1 calc R U P B 1
H4AB H 0.7919 0.2563 0.4045 0.066 Uiso 0.731(3) 1 calc R U P B 1
C4B C 0.883(3) 0.3029(11) 0.4401(15) 0.0548(19) Uani 0.269(3) 1 d D . P B 2
H4BA H 0.9418 0.2714 0.4621 0.066 Uiso 0.269(3) 1 calc R U P B 2
H4BB H 0.8075 0.2852 0.4553 0.066 Uiso 0.269(3) 1 calc R U P B 2
C5A C 0.8543(7) 0.2465(3) 0.2228(6) 0.064(2) Uani 0.731(3) 1 d D . P B 1
H5AA H 0.7760 0.2295 0.2273 0.077 Uiso 0.731(3) 1 calc R U P B 1
H5AB H 0.9079 0.2105 0.2364 0.077 Uiso 0.731(3) 1 calc R U P B 1
C5B C 0.908(2) 0.2520(8) 0.2879(13) 0.064(2) Uani 0.269(3) 1 d D . P B 2
H5BA H 0.8396 0.2243 0.2931 0.077 Uiso 0.269(3) 1 calc R U P B 2
H5BB H 0.9738 0.2288 0.3172 0.077 Uiso 0.269(3) 1 calc R U P B 2
C6A C 0.8726(6) 0.2729(3) 0.1220(6) 0.064(2) Uani 0.731(3) 1 d D . P B 1
H6AA H 0.9513 0.2894 0.1188 0.076 Uiso 0.731(3) 1 calc R U P B 1
H6AB H 0.8647 0.2369 0.0750 0.076 Uiso 0.731(3) 1 calc R U P B 1
C6B C 0.9295(16) 0.2686(9) 0.1810(13) 0.064(2) Uani 0.269(3) 1 d D . P B 2
H6BA H 1.0015 0.2932 0.1777 0.076 Uiso 0.269(3) 1 calc R U P B 2
H6BB H 0.9393 0.2277 0.1447 0.076 Uiso 0.269(3) 1 calc R U P B 2
C7A C 0.8424(9) 0.3588(5) 0.0070(7) 0.086(3) Uani 0.731(3) 1 d D . P B 1
H7AA H 0.8258 0.3323 -0.0514 0.103 Uiso 0.731(3) 1 calc R U P B 1
H7AB H 0.9259 0.3604 0.0164 0.103 Uiso 0.731(3) 1 calc R U P B 1
C7B C 0.886(2) 0.3263(14) 0.0390(16) 0.086(3) Uani 0.269(3) 1 d D . P B 2
H7BA H 0.8725 0.2910 -0.0083 0.103 Uiso 0.269(3) 1 calc R U P B 2
H7BB H 0.9696 0.3308 0.0484 0.103 Uiso 0.269(3) 1 calc R U P B 2
C8A C 0.7997(10) 0.4262(5) -0.0110(6) 0.091(3) Uani 0.731(3) 1 d D . P B 1
H8AA H 0.8402 0.4455 -0.0660 0.109 Uiso 0.731(3) 1 calc R U P B 1
H8AB H 0.7177 0.4248 -0.0284 0.109 Uiso 0.731(3) 1 calc R U P B 1
C8B C 0.839(4) 0.3891(14) -0.003(2) 0.091(3) Uani 0.269(3) 1 d D . P B 2
H8BA H 0.8874 0.4032 -0.0569 0.109 Uiso 0.269(3) 1 calc R U P B 2
H8BB H 0.7618 0.3813 -0.0299 0.109 Uiso 0.269(3) 1 calc R U P B 2
C9A C 0.7758(9) 0.5330(4) 0.0635(7) 0.092(3) Uani 0.731(3) 1 d D U P B 1
H9AA H 0.6927 0.5342 0.0719 0.111 Uiso 0.731(3) 1 calc R U P B 1
H9AB H 0.7921 0.5494 -0.0020 0.111 Uiso 0.731(3) 1 calc R U P B 1
C9B C 0.776(3) 0.4984(11) 0.036(2) 0.092(3) Uani 0.269(3) 1 d D . P B 2
H9BA H 0.6945 0.4962 0.0523 0.111 Uiso 0.269(3) 1 calc R U P B 2
H9BB H 0.7825 0.5042 -0.0343 0.111 Uiso 0.269(3) 1 calc R U P B 2
C10A C 0.8341(8) 0.5749(4) 0.1388(6) 0.067(3) Uani 0.731(3) 1 d D . P B 1
H10A H 0.9149 0.5809 0.1228 0.080 Uiso 0.731(3) 1 calc R U P B 1
H10B H 0.7975 0.6181 0.1405 0.080 Uiso 0.731(3) 1 calc R U P B 1
C10B C 0.836(3) 0.5541(12) 0.0923(15) 0.067(3) Uani 0.269(3) 1 d D . P B 2
H10C H 0.9185 0.5548 0.0798 0.080 Uiso 0.269(3) 1 calc R U P B 2
H10D H 0.8030 0.5967 0.0744 0.080 Uiso 0.269(3) 1 calc R U P B 2
C11A C 0.8661(6) 0.5841(3) 0.3125(6) 0.058(2) Uani 0.731(3) 1 d D . P B 1
H11A H 0.8202 0.6243 0.3149 0.069 Uiso 0.731(3) 1 calc R U P B 1
H11B H 0.9463 0.5963 0.3030 0.069 Uiso 0.731(3) 1 calc R U P B 1
C11B C 0.8299(19) 0.5920(9) 0.2599(13) 0.058(2) Uani 0.269(3) 1 d D . P B 2
H11C H 0.7746 0.6266 0.2435 0.069 Uiso 0.269(3) 1 calc R U P B 2
H11D H 0.9073 0.6101 0.2545 0.069 Uiso 0.269(3) 1 calc R U P B 2
C12A C 0.8552(6) 0.5458(3) 0.4077(5) 0.0547(19) Uani 0.731(3) 1 d D . P B 1
H12A H 0.9188 0.5146 0.4139 0.066 Uiso 0.731(3) 1 calc R U P B 1
H12B H 0.8609 0.5762 0.4630 0.066 Uiso 0.731(3) 1 calc R U P B 1
C12B C 0.8120(16) 0.5681(9) 0.3634(14) 0.0547(19) Uani 0.269(3) 1 d D . P B 2
H12C H 0.8814 0.5455 0.3870 0.066 Uiso 0.269(3) 1 calc R U P B 2
H12D H 0.7997 0.6059 0.4059 0.066 Uiso 0.269(3) 1 calc R U P B 2
C13A C 0.6429(5) 0.5529(3) 0.3963(6) 0.0529(17) Uani 0.731(3) 1 d D . P B 1
H13A H 0.6605 0.5864 0.3477 0.063 Uiso 0.731(3) 1 calc R U P B 1
H13B H 0.6263 0.5752 0.4578 0.063 Uiso 0.731(3) 1 calc R U P B 1
C13B C 0.6043(14) 0.5555(8) 0.3335(15) 0.0529(17) Uani 0.269(3) 1 d D . P B 2
H13C H 0.6212 0.5829 0.2769 0.063 Uiso 0.269(3) 1 calc R U P B 2
H13D H 0.5740 0.5837 0.3848 0.063 Uiso 0.269(3) 1 calc R U P B 2
C14A C 0.5380(6) 0.5152(3) 0.3621(5) 0.0531(19) Uani 0.731(3) 1 d D . P B 1
H14A H 0.5214 0.4803 0.4087 0.064 Uiso 0.731(3) 1 calc R U P B 1
H14B H 0.4714 0.5445 0.3578 0.064 Uiso 0.731(3) 1 calc R U P B 1
C14B C 0.5156(17) 0.5036(9) 0.3046(15) 0.0531(19) Uani 0.269(3) 1 d D . P B 2
H14C H 0.5059 0.4726 0.3584 0.064 Uiso 0.269(3) 1 calc R U P B 2
H14D H 0.4414 0.5243 0.2898 0.064 Uiso 0.269(3) 1 calc R U P B 2
C15A C 0.4561(5) 0.4580(3) 0.2275(5) 0.0532(18) Uani 0.731(3) 1 d D . P B 1
H15A H 0.3945 0.4906 0.2232 0.064 Uiso 0.731(3) 1 calc R U P B 1
H15B H 0.4314 0.4223 0.2699 0.064 Uiso 0.731(3) 1 calc R U P B 1
C15B C 0.4624(15) 0.4289(10) 0.1794(17) 0.0532(18) Uani 0.269(3) 1 d D . P B 2
H15C H 0.3984 0.4566 0.1570 0.064 Uiso 0.269(3) 1 calc R U P B 2
H15D H 0.4348 0.3993 0.2300 0.064 Uiso 0.269(3) 1 calc R U P B 2
C16A C 0.4814(5) 0.4321(3) 0.1275(5) 0.0519(18) Uani 0.731(3) 1 d D . P B 1
H16A H 0.4138 0.4094 0.1002 0.062 Uiso 0.731(3) 1 calc R U P B 1
H16B H 0.4999 0.4685 0.0839 0.062 Uiso 0.731(3) 1 calc R U P B 1
C16B C 0.5076(14) 0.3900(9) 0.0950(14) 0.0519(18) Uani 0.269(3) 1 d D . P B 2
H16C H 0.4491 0.3591 0.0712 0.062 Uiso 0.269(3) 1 calc R U P B 2
H16D H 0.5266 0.4194 0.0413 0.062 Uiso 0.269(3) 1 calc R U P B 2
C17A C 0.5793(6) 0.3432(4) 0.0529(5) 0.075(2) Uani 0.731(3) 1 d D . P B 1
H17A H 0.5902 0.3678 -0.0077 0.089 Uiso 0.731(3) 1 calc R U P B 1
H17B H 0.5063 0.3196 0.0470 0.089 Uiso 0.731(3) 1 calc R U P B 1
C17B C 0.630(2) 0.2985(13) 0.0678(19) 0.075(2) Uani 0.269(3) 1 d D . P B 2
H17C H 0.6477 0.3121 0.0012 0.089 Uiso 0.269(3) 1 calc R U P B 2
H17D H 0.5624 0.2700 0.0651 0.089 Uiso 0.269(3) 1 calc R U P B 2
C18A C 0.6758(6) 0.2956(4) 0.0686(7) 0.066(2) Uani 0.731(3) 1 d D . P B 1
H18A H 0.6822 0.2688 0.0095 0.079 Uiso 0.731(3) 1 calc R U P B 1
H18B H 0.6561 0.2662 0.1222 0.079 Uiso 0.731(3) 1 calc R U P B 1
C18B C 0.7322(14) 0.2632(10) 0.1160(15) 0.066(2) Uani 0.269(3) 1 d D . P B 2
H18C H 0.7091 0.2454 0.1790 0.079 Uiso 0.269(3) 1 calc R U P B 2
H18D H 0.7539 0.2262 0.0746 0.079 Uiso 0.269(3) 1 calc R U P B 2
C19 C 1.0731(4) 0.4655(2) 0.2253(4) 0.0563(13) Uani 1 1 d . . . . .
H19A H 1.0441 0.4815 0.1627 0.084 Uiso 1 1 calc R U . . .
H19B H 1.1429 0.4407 0.2159 0.084 Uiso 1 1 calc R U . . .
H19C H 1.0893 0.5023 0.2683 0.084 Uiso 1 1 calc R U . . .
C20 C 0.5686(4) 0.3227(2) 0.4349(3) 0.0509(11) Uani 1 1 d . . . . .
H20A H 0.5733 0.2756 0.4428 0.076 Uiso 1 1 calc R U . . .
H20B H 0.4898 0.3367 0.4418 0.076 Uiso 1 1 calc R U . . .
H20C H 0.6167 0.3438 0.4844 0.076 Uiso 1 1 calc R U . . .


_geom_special_details            
;
 All esds (except the esd in the dihedral angle between two l.s. planes)
 are estimated using the full covariance matrix.  The cell esds are taken
 into account individually in the estimation of esds in distances, angles
 and torsion angles; correlations between esds in cell parameters are only
 used when they are defined by crystal symmetry.  An approximate (isotropic)
 treatment of cell esds is used for estimating esds involving l.s. planes.
;

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
Sr1 O8 2.617(2) . ?
Sr1 O7 2.630(3) . ?
Sr1 O5B 2.680(13) . ?
Sr1 O1B 2.686(15) . ?
Sr1 O2A 2.699(4) . ?
Sr1 O2B 2.712(15) . ?
Sr1 O6B 2.719(13) . ?
Sr1 O6A 2.724(4) . ?
Sr1 O4B 2.728(19) . ?
Sr1 O1A 2.730(4) . ?
Sr1 O4A 2.732(6) . ?
Sr1 O3B 2.73(3) . ?
Br1 Mn1 2.4799(10) . ?
Br2 Mn1 2.4963(8) . ?
Br3 Mn1 2.4482(17) . ?
Br4 Mn1 2.3937(19) . ?
O11 Mn1 2.407(18) . ?
O11 H11 0.8200 . ?
O12 Mn1 2.42(2) . ?
O12 H12 0.8200 . ?
O13 Mn1 2.40(2) . ?
O13 H13 0.8200 . ?
O14 Mn1 2.453(12) . ?
O14 H14 0.8200 . ?
O1A C3A 1.414(7) . ?
O1A C2A 1.428(7) . ?
O1B C3B 1.425(14) . ?
O1B C2B 1.435(16) . ?
O2A C5A 1.419(7) . ?
O2A C4A 1.435(7) . ?
O2B C4B 1.428(17) . ?
O2B C5B 1.430(14) . ?
O3A C8A 1.411(10) . ?
O3A C9A 1.442(10) . ?
O3B C8B 1.423(19) . ?
O3B C9B 1.424(18) . ?
O4A C11A 1.422(8) . ?
O4A C10A 1.444(8) . ?
O4B C11B 1.417(17) . ?
O4B C10B 1.434(17) . ?
O5A C15A 1.427(7) . ?
O5A C14A 1.434(7) . ?
O5B C14B 1.438(15) . ?
O5B C15B 1.448(16) . ?
O6A C17A 1.423(7) . ?
O6A C16A 1.425(7) . ?
O6B C17B 1.424(18) . ?
O6B C16B 1.435(15) . ?
O7 C19 1.397(4) . ?
O7 H7 0.9300 . ?
O8 C20 1.418(5) . ?
O8 H8 0.9300 . ?
N1A C1A 1.469(8) . ?
N1A C12A 1.469(7) . ?
N1A C13A 1.479(7) . ?
N1B C1B 1.457(16) . ?
N1B C12B 1.482(16) . ?
N1B C13B 1.483(15) . ?
N2A C7A 1.461(9) . ?
N2A C6A 1.463(8) . ?
N2A C18A 1.510(8) . ?
N2B C7B 1.453(17) . ?
N2B C6B 1.469(17) . ?
N2B C18B 1.515(16) . ?
C1A C2A 1.497(8) . ?
C1A H1AA 0.9700 . ?
C1A H1AB 0.9700 . ?
C1B C2B 1.514(16) . ?
C1B H1BA 0.9700 . ?
C1B H1BB 0.9700 . ?
C2A H2AA 0.9700 . ?
C2A H2AB 0.9700 . ?
C2B H2BA 0.9700 . ?
C2B H2BB 0.9700 . ?
C3A C4A 1.477(8) . ?
C3A H3AA 0.9700 . ?
C3A H3AB 0.9700 . ?
C3B C4B 1.519(16) . ?
C3B H3BA 0.9700 . ?
C3B H3BB 0.9700 . ?
C4A H4AA 0.9700 . ?
C4A H4AB 0.9700 . ?
C4B H4BA 0.9700 . ?
C4B H4BB 0.9700 . ?
C5A C6A 1.486(9) . ?
C5A H5AA 0.9700 . ?
C5A H5AB 0.9700 . ?
C5B C6B 1.513(17) . ?
C5B H5BA 0.9700 . ?
C5B H5BB 0.9700 . ?
C6A H6AA 0.9700 . ?
C6A H6AB 0.9700 . ?
C6B H6BA 0.9700 . ?
C6B H6BB 0.9700 . ?
C7A C8A 1.469(11) . ?
C7A H7AA 0.9700 . ?
C7A H7AB 0.9700 . ?
C7B C8B 1.490(19) . ?
C7B H7BA 0.9700 . ?
C7B H7BB 0.9700 . ?
C8A H8AA 0.9700 . ?
C8A H8AB 0.9700 . ?
C8B H8BA 0.9700 . ?
C8B H8BB 0.9700 . ?
C9A C10A 1.476(11) . ?
C9A H9AA 0.9700 . ?
C9A H9AB 0.9700 . ?
C9B C10B 1.517(18) . ?
C9B H9BA 0.9700 . ?
C9B H9BB 0.9700 . ?
C10A H10A 0.9700 . ?
C10A H10B 0.9700 . ?
C10B H10C 0.9700 . ?
C10B H10D 0.9700 . ?
C11A C12A 1.512(9) . ?
C11A H11A 0.9700 . ?
C11A H11B 0.9700 . ?
C11B C12B 1.502(17) . ?
C11B H11C 0.9700 . ?
C11B H11D 0.9700 . ?
C12A H12A 0.9700 . ?
C12A H12B 0.9700 . ?
C12B H12C 0.9700 . ?
C12B H12D 0.9700 . ?
C13A C14A 1.495(8) . ?
C13A H13A 0.9700 . ?
C13A H13B 0.9700 . ?
C13B C14B 1.512(17) . ?
C13B H13C 0.9700 . ?
C13B H13D 0.9700 . ?
C14A H14A 0.9700 . ?
C14A H14B 0.9700 . ?
C14B H14C 0.9700 . ?
C14B H14D 0.9700 . ?
C15A C16A 1.488(9) . ?
C15A H15A 0.9700 . ?
C15A H15B 0.9700 . ?
C15B C16B 1.492(17) . ?
C15B H15C 0.9700 . ?
C15B H15D 0.9700 . ?
C16A H16A 0.9700 . ?
C16A H16B 0.9700 . ?
C16B H16C 0.9700 . ?
C16B H16D 0.9700 . ?
C17A C18A 1.484(10) . ?
C17A H17A 0.9700 . ?
C17A H17B 0.9700 . ?
C17B C18B 1.515(18) . ?
C17B H17C 0.9700 . ?
C17B H17D 0.9700 . ?
C18A H18A 0.9700 . ?
C18A H18B 0.9700 . ?
C18B H18C 0.9700 . ?
C18B H18D 0.9700 . ?
C19 H19A 0.9600 . ?
C19 H19B 0.9600 . ?
C19 H19C 0.9600 . ?
C20 H20A 0.9600 . ?
C20 H20B 0.9600 . ?
C20 H20C 0.9600 . ?

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
O8 Sr1 O7 135.79(8) . . ?
O8 Sr1 O5B 72.4(3) . . ?
O7 Sr1 O5B 149.1(3) . . ?
O8 Sr1 O1B 71.5(3) . . ?
O7 Sr1 O1B 76.0(3) . . ?
O5B Sr1 O1B 111.0(4) . . ?
O8 Sr1 O2A 75.66(11) . . ?
O7 Sr1 O2A 66.56(11) . . ?
O8 Sr1 O2B 77.1(3) . . ?
O7 Sr1 O2B 60.5(3) . . ?
O5B Sr1 O2B 149.5(4) . . ?
O1B Sr1 O2B 58.8(3) . . ?
O8 Sr1 O6B 65.3(3) . . ?
O7 Sr1 O6B 135.3(3) . . ?
O5B Sr1 O6B 60.1(3) . . ?
O1B Sr1 O6B 136.6(4) . . ?
O2B Sr1 O6B 105.7(4) . . ?
O8 Sr1 O6A 67.11(11) . . ?
O7 Sr1 O6A 145.54(12) . . ?
O2A Sr1 O6A 107.61(13) . . ?
O8 Sr1 O4B 144.7(5) . . ?
O7 Sr1 O4B 73.4(5) . . ?
O5B Sr1 O4B 75.8(6) . . ?
O1B Sr1 O4B 106.9(4) . . ?
O2B Sr1 O4B 133.6(6) . . ?
O6B Sr1 O4B 110.7(5) . . ?
O8 Sr1 O1A 67.16(11) . . ?
O7 Sr1 O1A 74.32(12) . . ?
O2A Sr1 O1A 59.91(12) . . ?
O6A Sr1 O1A 134.27(13) . . ?
O8 Sr1 O4A 140.87(16) . . ?
O7 Sr1 O4A 70.09(16) . . ?
O2A Sr1 O4A 136.60(18) . . ?
O6A Sr1 O4A 109.11(15) . . ?
O1A Sr1 O4A 106.25(12) . . ?
O8 Sr1 O3B 138.0(7) . . ?
O7 Sr1 O3B 73.5(7) . . ?
O5B Sr1 O3B 92.1(7) . . ?
O1B Sr1 O3B 148.7(8) . . ?
O2B Sr1 O3B 110.2(6) . . ?
O6B Sr1 O3B 73.1(8) . . ?
O4B Sr1 O3B 57.3(6) . . ?
Mn1 O11 H11 109.5 . . ?
Mn1 O12 H12 109.5 . . ?
Mn1 O13 H13 109.5 . . ?
Mn1 O14 H14 109.5 . . ?
O13 Mn1 O11 107.9(13) . . ?
O13 Mn1 O12 103(2) . . ?
O11 Mn1 O12 124(3) . . ?
Br4 Mn1 Br3 112.15(10) . . ?
O13 Mn1 O14 101.2(12) . . ?
O11 Mn1 O14 118.9(8) . . ?
O12 Mn1 O14 99(2) . . ?
Br4 Mn1 Br1 109.99(6) . . ?
Br3 Mn1 Br1 104.40(9) . . ?
Br4 Mn1 Br2 103.14(5) . . ?
Br3 Mn1 Br2 114.37(9) . . ?
Br1 Mn1 Br2 112.97(3) . . ?
C3A O1A C2A 111.1(5) . . ?
C3A O1A Sr1 119.4(4) . . ?
C2A O1A Sr1 124.3(3) . . ?
C3B O1B C2B 107.6(15) . . ?
C3B O1B Sr1 122.2(11) . . ?
C2B O1B Sr1 124.1(11) . . ?
C5A O2A C4A 110.6(5) . . ?
C5A O2A Sr1 116.8(4) . . ?
C4A O2A Sr1 117.4(3) . . ?
C4B O2B C5B 109.1(14) . . ?
C4B O2B Sr1 117.9(13) . . ?
C5B O2B Sr1 123.0(11) . . ?
C8A O3A C9A 114.6(8) . . ?
C8A O3A Sr1 118.4(6) . . ?
C9A O3A Sr1 111.3(7) . . ?
C8B O3B C9B 114(2) . . ?
C8B O3B Sr1 120(2) . . ?
C9B O3B Sr1 107(2) . . ?
C11A O4A C10A 112.3(6) . . ?
C11A O4A Sr1 124.1(4) . . ?
C10A O4A Sr1 123.2(4) . . ?
C11B O4B C10B 114.5(17) . . ?
C11B O4B Sr1 122.5(11) . . ?
C10B O4B Sr1 123.0(13) . . ?
C15A O5A C14A 109.7(5) . . ?
C15A O5A Sr1 117.1(3) . . ?
C14A O5A Sr1 115.1(3) . . ?
C14B O5B C15B 108.4(14) . . ?
C14B O5B Sr1 111.0(11) . . ?
C15B O5B Sr1 118.9(10) . . ?
C17A O6A C16A 112.1(5) . . ?
C17A O6A Sr1 124.0(4) . . ?
C16A O6A Sr1 121.0(4) . . ?
C17B O6B C16B 111.3(15) . . ?
C17B O6B Sr1 126.7(12) . . ?
C16B O6B Sr1 119.9(10) . . ?
C19 O7 Sr1 135.8(2) . . ?
C19 O7 H7 112.1 . . ?
Sr1 O7 H7 112.1 . . ?
C20 O8 Sr1 140.7(2) . . ?
C20 O8 H8 109.7 . . ?
Sr1 O8 H8 109.7 . . ?
C1A N1A C12A 109.5(5) . . ?
C1A N1A C13A 109.1(5) . . ?
C12A N1A C13A 112.9(5) . . ?
C1A N1A Sr1 110.4(3) . . ?
C12A N1A Sr1 103.2(4) . . ?
C13A N1A Sr1 111.6(4) . . ?
C1B N1B C12B 109.0(14) . . ?
C1B N1B C13B 108.2(14) . . ?
C12B N1B C13B 110.3(14) . . ?
C1B N1B Sr1 111.9(10) . . ?
C12B N1B Sr1 106.4(11) . . ?
C13B N1B Sr1 111.1(10) . . ?
C7A N2A C6A 107.1(6) . . ?
C7A N2A C18A 112.5(7) . . ?
C6A N2A C18A 108.4(6) . . ?
C7A N2A Sr1 112.7(5) . . ?
C6A N2A Sr1 109.1(4) . . ?
C18A N2A Sr1 107.0(4) . . ?
C7B N2B C6B 103.4(17) . . ?
C7B N2B C18B 110.8(17) . . ?
C6B N2B C18B 108.7(17) . . ?
C7B N2B Sr1 116.1(15) . . ?
C6B N2B Sr1 111.3(10) . . ?
C18B N2B Sr1 106.4(11) . . ?
N1A C1A C2A 113.9(5) . . ?
N1A C1A H1AA 108.8 . . ?
C2A C1A H1AA 108.8 . . ?
N1A C1A H1AB 108.8 . . ?
C2A C1A H1AB 108.8 . . ?
H1AA C1A H1AB 107.7 . . ?
N1B C1B C2B 113.4(16) . . ?
N1B C1B H1BA 108.9 . . ?
C2B C1B H1BA 108.9 . . ?
N1B C1B H1BB 108.9 . . ?
C2B C1B H1BB 108.9 . . ?
H1BA C1B H1BB 107.7 . . ?
O1A C2A C1A 108.1(5) . . ?
O1A C2A H2AA 110.1 . . ?
C1A C2A H2AA 110.1 . . ?
O1A C2A H2AB 110.1 . . ?
C1A C2A H2AB 110.1 . . ?
H2AA C2A H2AB 108.4 . . ?
O1B C2B C1B 106.5(15) . . ?
O1B C2B H2BA 110.4 . . ?
C1B C2B H2BA 110.4 . . ?
O1B C2B H2BB 110.4 . . ?
C1B C2B H2BB 110.4 . . ?
H2BA C2B H2BB 108.6 . . ?
O1A C3A C4A 108.4(5) . . ?
O1A C3A H3AA 110.0 . . ?
C4A C3A H3AA 110.0 . . ?
O1A C3A H3AB 110.0 . . ?
C4A C3A H3AB 110.0 . . ?
H3AA C3A H3AB 108.4 . . ?
O1B C3B C4B 103.5(17) . . ?
O1B C3B H3BA 111.1 . . ?
C4B C3B H3BA 111.1 . . ?
O1B C3B H3BB 111.1 . . ?
C4B C3B H3BB 111.1 . . ?
H3BA C3B H3BB 109.0 . . ?
O2A C4A C3A 109.1(5) . . ?
O2A C4A H4AA 109.9 . . ?
C3A C4A H4AA 109.9 . . ?
O2A C4A H4AB 109.9 . . ?
C3A C4A H4AB 109.9 . . ?
H4AA C4A H4AB 108.3 . . ?
O2B C4B C3B 107.4(17) . . ?
O2B C4B H4BA 110.2 . . ?
C3B C4B H4BA 110.2 . . ?
O2B C4B H4BB 110.2 . . ?
C3B C4B H4BB 110.2 . . ?
H4BA C4B H4BB 108.5 . . ?
O2A C5A C6A 109.0(5) . . ?
O2A C5A H5AA 109.9 . . ?
C6A C5A H5AA 109.9 . . ?
O2A C5A H5AB 109.9 . . ?
C6A C5A H5AB 109.9 . . ?
H5AA C5A H5AB 108.3 . . ?
O2B C5B C6B 105.8(14) . . ?
O2B C5B H5BA 110.6 . . ?
C6B C5B H5BA 110.6 . . ?
O2B C5B H5BB 110.6 . . ?
C6B C5B H5BB 110.6 . . ?
H5BA C5B H5BB 108.7 . . ?
N2A C6A C5A 114.4(6) . . ?
N2A C6A H6AA 108.7 . . ?
C5A C6A H6AA 108.7 . . ?
N2A C6A H6AB 108.7 . . ?
C5A C6A H6AB 108.7 . . ?
H6AA C6A H6AB 107.6 . . ?
N2B C6B C5B 114.3(16) . . ?
N2B C6B H6BA 108.7 . . ?
C5B C6B H6BA 108.7 . . ?
N2B C6B H6BB 108.7 . . ?
C5B C6B H6BB 108.7 . . ?
H6BA C6B H6BB 107.6 . . ?
N2A C7A C8A 114.7(7) . . ?
N2A C7A H7AA 108.6 . . ?
C8A C7A H7AA 108.6 . . ?
N2A C7A H7AB 108.6 . . ?
C8A C7A H7AB 108.6 . . ?
H7AA C7A H7AB 107.6 . . ?
N2B C7B C8B 114(3) . . ?
N2B C7B H7BA 108.7 . . ?
C8B C7B H7BA 108.7 . . ?
N2B C7B H7BB 108.7 . . ?
C8B C7B H7BB 108.7 . . ?
H7BA C7B H7BB 107.6 . . ?
O3A C8A C7A 110.7(7) . . ?
O3A C8A H8AA 109.5 . . ?
C7A C8A H8AA 109.5 . . ?
O3A C8A H8AB 109.5 . . ?
C7A C8A H8AB 109.5 . . ?
H8AA C8A H8AB 108.1 . . ?
O3B C8B C7B 112(3) . . ?
O3B C8B H8BA 109.2 . . ?
C7B C8B H8BA 109.2 . . ?
O3B C8B H8BB 109.2 . . ?
C7B C8B H8BB 109.2 . . ?
H8BA C8B H8BB 107.9 . . ?
O3A C9A C10A 109.2(7) . . ?
O3A C9A H9AA 109.8 . . ?
C10A C9A H9AA 109.8 . . ?
O3A C9A H9AB 109.8 . . ?
C10A C9A H9AB 109.8 . . ?
H9AA C9A H9AB 108.3 . . ?
O3B C9B C10B 104(2) . . ?
O3B C9B H9BA 110.9 . . ?
C10B C9B H9BA 110.9 . . ?
O3B C9B H9BB 110.9 . . ?
C10B C9B H9BB 110.9 . . ?
H9BA C9B H9BB 108.9 . . ?
O4A C10A C9A 108.6(6) . . ?
O4A C10A H10A 110.0 . . ?
C9A C10A H10A 110.0 . . ?
O4A C10A H10B 110.0 . . ?
C9A C10A H10B 110.0 . . ?
H10A C10A H10B 108.3 . . ?
O4B C10B C9B 103(2) . . ?
O4B C10B H10C 111.2 . . ?
C9B C10B H10C 111.2 . . ?
O4B C10B H10D 111.2 . . ?
C9B C10B H10D 111.2 . . ?
H10C C10B H10D 109.1 . . ?
O4A C11A C12A 107.9(5) . . ?
O4A C11A H11A 110.1 . . ?
C12A C11A H11A 110.1 . . ?
O4A C11A H11B 110.1 . . ?
C12A C11A H11B 110.1 . . ?
H11A C11A H11B 108.4 . . ?
O4B C11B C12B 109.1(15) . . ?
O4B C11B H11C 109.9 . . ?
C12B C11B H11C 109.9 . . ?
O4B C11B H11D 109.9 . . ?
C12B C11B H11D 109.9 . . ?
H11C C11B H11D 108.3 . . ?
N1A C12A C11A 112.1(6) . . ?
N1A C12A H12A 109.2 . . ?
C11A C12A H12A 109.2 . . ?
N1A C12A H12B 109.2 . . ?
C11A C12A H12B 109.2 . . ?
H12A C12A H12B 107.9 . . ?
N1B C12B C11B 112.5(15) . . ?
N1B C12B H12C 109.1 . . ?
C11B C12B H12C 109.1 . . ?
N1B C12B H12D 109.1 . . ?
C11B C12B H12D 109.1 . . ?
H12C C12B H12D 107.8 . . ?
N1A C13A C14A 112.3(5) . . ?
N1A C13A H13A 109.2 . . ?
C14A C13A H13A 109.2 . . ?
N1A C13A H13B 109.2 . . ?
C14A C13A H13B 109.2 . . ?
H13A C13A H13B 107.9 . . ?
N1B C13B C14B 109.3(14) . . ?
N1B C13B H13C 109.8 . . ?
C14B C13B H13C 109.8 . . ?
N1B C13B H13D 109.8 . . ?
C14B C13B H13D 109.8 . . ?
H13C C13B H13D 108.3 . . ?
O5A C14A C13A 108.7(5) . . ?
O5A C14A H14A 109.9 . . ?
C13A C14A H14A 109.9 . . ?
O5A C14A H14B 109.9 . . ?
C13A C14A H14B 109.9 . . ?
H14A C14A H14B 108.3 . . ?
O5B C14B C13B 108.1(15) . . ?
O5B C14B H14C 110.1 . . ?
C13B C14B H14C 110.1 . . ?
O5B C14B H14D 110.1 . . ?
C13B C14B H14D 110.1 . . ?
H14C C14B H14D 108.4 . . ?
O5A C15A C16A 107.8(5) . . ?
O5A C15A H15A 110.1 . . ?
C16A C15A H15A 110.1 . . ?
O5A C15A H15B 110.1 . . ?
C16A C15A H15B 110.1 . . ?
H15A C15A H15B 108.5 . . ?
O5B C15B C16B 108.1(15) . . ?
O5B C15B H15C 110.1 . . ?
C16B C15B H15C 110.1 . . ?
O5B C15B H15D 110.1 . . ?
C16B C15B H15D 110.1 . . ?
H15C C15B H15D 108.4 . . ?
O6A C16A C15A 109.3(5) . . ?
O6A C16A H16A 109.8 . . ?
C15A C16A H16A 109.8 . . ?
O6A C16A H16B 109.8 . . ?
C15A C16A H16B 109.8 . . ?
H16A C16A H16B 108.3 . . ?
O6B C16B C15B 108.7(15) . . ?
O6B C16B H16C 110.0 . . ?
C15B C16B H16C 110.0 . . ?
O6B C16B H16D 110.0 . . ?
C15B C16B H16D 110.0 . . ?
H16C C16B H16D 108.3 . . ?
O6A C17A C18A 109.1(6) . . ?
O6A C17A H17A 109.9 . . ?
C18A C17A H17A 109.9 . . ?
O6A C17A H17B 109.9 . . ?
C18A C17A H17B 109.9 . . ?
H17A C17A H17B 108.3 . . ?
O6B C17B C18B 105.6(17) . . ?
O6B C17B H17C 110.6 . . ?
C18B C17B H17C 110.6 . . ?
O6B C17B H17D 110.6 . . ?
C18B C17B H17D 110.6 . . ?
H17C C17B H17D 108.7 . . ?
C17A C18A N2A 115.5(6) . . ?
C17A C18A H18A 108.4 . . ?
N2A C18A H18A 108.4 . . ?
C17A C18A H18B 108.4 . . ?
N2A C18A H18B 108.4 . . ?
H18A C18A H18B 107.5 . . ?
N2B C18B C17B 113.3(19) . . ?
N2B C18B H18C 108.9 . . ?
C17B C18B H18C 108.9 . . ?
N2B C18B H18D 108.9 . . ?
C17B C18B H18D 108.9 . . ?
H18C C18B H18D 107.7 . . ?
O7 C19 H19A 109.5 . . ?
O7 C19 H19B 109.5 . . ?
H19A C19 H19B 109.5 . . ?
O7 C19 H19C 109.5 . . ?
H19A C19 H19C 109.5 . . ?
H19B C19 H19C 109.5 . . ?
O8 C20 H20A 109.5 . . ?
O8 C20 H20B 109.5 . . ?
H20A C20 H20B 109.5 . . ?
O8 C20 H20C 109.5 . . ?
H20A C20 H20C 109.5 . . ?
H20B C20 H20C 109.5 . . ?

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
C12A N1A C1A C2A -63.4(7) . . . . ?
C13A N1A C1A C2A 172.6(5) . . . . ?
Sr1 N1A C1A C2A 49.7(6) . . . . ?
C12B N1B C1B C2B -66(2) . . . . ?
C13B N1B C1B C2B 173.9(16) . . . . ?
Sr1 N1B C1B C2B 51.2(19) . . . . ?
C3A O1A C2A C1A -174.4(5) . . . . ?
Sr1 O1A C2A C1A 31.4(7) . . . . ?
N1A C1A C2A O1A -53.7(7) . . . . ?
C3B O1B C2B C1B -178.0(17) . . . . ?
Sr1 O1B C2B C1B 29(2) . . . . ?
N1B C1B C2B O1B -52(2) . . . . ?
C2A O1A C3A C4A 163.9(5) . . . . ?
Sr1 O1A C3A C4A -40.4(7) . . . . ?
C2B O1B C3B C4B 160.1(17) . . . . ?
Sr1 O1B C3B C4B -46.4(19) . . . . ?
C5A O2A C4A C3A 174.1(5) . . . . ?
Sr1 O2A C4A C3A -48.3(6) . . . . ?
O1A C3A C4A O2A 56.2(7) . . . . ?
C5B O2B C4B C3B 163.1(18) . . . . ?
Sr1 O2B C4B C3B -50(2) . . . . ?
O1B C3B C4B O2B 59(2) . . . . ?
C4A O2A C5A C6A -173.2(6) . . . . ?
Sr1 O2A C5A C6A 49.0(7) . . . . ?
C4B O2B C5B C6B -173.3(18) . . . . ?
Sr1 O2B C5B C6B 42(2) . . . . ?
C7A N2A C6A C5A 163.7(6) . . . . ?
C18A N2A C6A C5A -74.6(7) . . . . ?
Sr1 N2A C6A C5A 41.5(6) . . . . ?
O2A C5A C6A N2A -61.8(8) . . . . ?
C7B N2B C6B C5B 170.5(18) . . . . ?
C18B N2B C6B C5B -71.7(19) . . . . ?
Sr1 N2B C6B C5B 45.1(18) . . . . ?
O2B C5B C6B N2B -57(2) . . . . ?
C6A N2A C7A C8A -158.7(8) . . . . ?
C18A N2A C7A C8A 82.3(9) . . . . ?
Sr1 N2A C7A C8A -38.8(10) . . . . ?
C6B N2B C7B C8B -152(3) . . . . ?
C18B N2B C7B C8B 91(3) . . . . ?
Sr1 N2B C7B C8B -30(3) . . . . ?
C9A O3A C8A C7A -178.9(9) . . . . ?
Sr1 O3A C8A C7A -44.3(10) . . . . ?
N2A C7A C8A O3A 55.6(12) . . . . ?
C9B O3B C8B C7B -171(3) . . . . ?
Sr1 O3B C8B C7B -42(4) . . . . ?
N2B C7B C8B O3B 47(5) . . . . ?
C8A O3A C9A C10A -159.8(9) . . . . ?
Sr1 O3A C9A C10A 62.5(9) . . . . ?
C8B O3B C9B C10B -149(3) . . . . ?
Sr1 O3B C9B C10B 75(3) . . . . ?
C11A O4A C10A C9A -172.2(7) . . . . ?
Sr1 O4A C10A C9A 14.5(10) . . . . ?
O3A C9A C10A O4A -49.5(11) . . . . ?
C11B O4B C10B C9B -161(2) . . . . ?
Sr1 O4B C10B C9B 22(3) . . . . ?
O3B C9B C10B O4B -62(3) . . . . ?
C10A O4A C11A C12A -179.1(6) . . . . ?
Sr1 O4A C11A C12A -5.9(8) . . . . ?
C10B O4B C11B C12B -177(2) . . . . ?
Sr1 O4B C11B C12B 0(2) . . . . ?
C1A N1A C12A C11A -177.0(5) . . . . ?
C13A N1A C12A C11A -55.2(7) . . . . ?
Sr1 N1A C12A C11A 65.4(5) . . . . ?
O4A C11A C12A N1A -42.8(7) . . . . ?
C1B N1B C12B C11B -176.9(15) . . . . ?
C13B N1B C12B C11B -58(2) . . . . ?
Sr1 N1B C12B C11B 62.3(17) . . . . ?
O4B C11B C12B N1B -42(2) . . . . ?
C1A N1A C13A C14A -80.1(7) . . . . ?
C12A N1A C13A C14A 157.9(6) . . . . ?
Sr1 N1A C13A C14A 42.2(6) . . . . ?
C1B N1B C13B C14B -82.1(19) . . . . ?
C12B N1B C13B C14B 158.8(16) . . . . ?
Sr1 N1B C13B C14B 41.1(18) . . . . ?
C15A O5A C14A C13A -173.1(5) . . . . ?
Sr1 O5A C14A C13A 52.4(6) . . . . ?
N1A C13A C14A O5A -64.1(7) . . . . ?
C15B O5B C14B C13B -169.1(16) . . . . ?
Sr1 O5B C14B C13B 58.6(18) . . . . ?
N1B C13B C14B O5B -68(2) . . . . ?
C14A O5A C15A C16A 177.9(5) . . . . ?
Sr1 O5A C15A C16A -48.5(6) . . . . ?
C14B O5B C15B C16B -175.9(17) . . . . ?
Sr1 O5B C15B C16B -48(2) . . . . ?
C17A O6A C16A C15A 158.2(6) . . . . ?
Sr1 O6A C16A C15A -40.3(6) . . . . ?
O5A C15A C16A O6A 56.1(6) . . . . ?
C17B O6B C16B C15B 156.8(19) . . . . ?
Sr1 O6B C16B C15B -38.8(18) . . . . ?
O5B C15B C16B O6B 54(2) . . . . ?
C16A O6A C17A C18A -176.2(6) . . . . ?
Sr1 O6A C17A C18A 22.9(8) . . . . ?
C16B O6B C17B C18B -175.3(17) . . . . ?
Sr1 O6B C17B C18B 22(3) . . . . ?
O6A C17A C18A N2A -51.9(9) . . . . ?
C7A N2A C18A C17A -71.4(9) . . . . ?
C6A N2A C18A C17A 170.3(6) . . . . ?
Sr1 N2A C18A C17A 52.8(7) . . . . ?
C7B N2B C18B C17B -68(2) . . . . ?
C6B N2B C18B C17B 178.9(17) . . . . ?
Sr1 N2B C18B C17B 58.9(17) . . . . ?
O6B C17B C18B N2B -54(3) . . . . ?

_refine_diff_density_max         0.761
_refine_diff_density_min         -0.625
_refine_diff_density_rms         0.098

####################################################################### 
# 
# This file contains crystal structure data downloaded from the 
# Cambridge Structural Database (CSD) hosted by the Cambridge 
# Crystallographic Data Centre (CCDC).
# 
# Full information about CCDC data access policies and citation 
# guidelines are available at http://www.ccdc.cam.ac.uk/access/V1 
# 
# Audit and citation data items may have been added by the CCDC. 
# Please retain this information to preserve the provenance of 
# this file and to allow appropriate attribution of the data. 
# 
#######################################################################

data_eu-zn
_database_code_depnum_ccdc_archive 'CCDC 2220493'
loop_
_audit_author_name
_audit_author_address
'Huanyu Liu'
;Peking University
China
;
_audit_update_record             
;
2022-11-18 deposited with the CCDC.	2022-11-29 downloaded from the CCDC.
;
_audit_creation_date             2022-11-18
_audit_creation_method           
;
Olex2 1.5
(compiled 2022.04.07 svn.rca3783a0 for OlexSys, GUI svn.r6498)
;
_shelx_SHELXL_version_number     2018/3
_chemical_name_common            ?
_chemical_name_systematic        ?
_chemical_formula_moiety         'Br4 Zn, C20 H44 Eu N2 O8'
_chemical_formula_sum            'C20 H44 Br4 Eu N2 O8 Zn'
_chemical_formula_weight         977.54
_chemical_melting_point          ?
_chemical_oxdiff_formula         'C H N O Eu Br Zn'
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'
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'
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'
Zn Zn 0.2839 1.4301 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'

_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.
;
_space_group_crystal_system      monoclinic
_space_group_IT_number           14
_space_group_name_H-M_alt        'P 1 21/c 1'
_space_group_name_Hall           '-P 2ybc'
loop_
_space_group_symop_operation_xyz
'x, y, z'
'-x, y+1/2, -z+1/2'
'-x, -y, -z'
'x, -y-1/2, z-1/2'

_cell_length_a                   14.04743(16)
_cell_length_b                   14.65564(16)
_cell_length_c                   31.3669(4)
_cell_angle_alpha                90.0
_cell_angle_beta                 102.7436(12)
_cell_angle_gamma                90.0
_cell_volume                     6298.55(13)
_cell_formula_units_Z            8
_cell_measurement_reflns_used    38474
_cell_measurement_temperature    180.00(10)
_cell_measurement_theta_max      29.6440
_cell_measurement_theta_min      1.5330
_cell_oxdiff_angle_alpha         90.0201(7)
_cell_oxdiff_angle_beta          102.7757(8)
_cell_oxdiff_angle_gamma         90.0245(7)
_cell_oxdiff_length_a            14.04526(13)
_cell_oxdiff_length_b            14.65640(11)
_cell_oxdiff_length_c            31.3741(3)
_cell_oxdiff_measurement_reflns_used 36237
_cell_oxdiff_volume              6298.55(10)
_shelx_estimated_absorpt_T_max   0.650
_shelx_estimated_absorpt_T_min   0.453
_exptl_absorpt_coefficient_mu    7.852
_exptl_absorpt_correction_T_max  1.00000
_exptl_absorpt_correction_T_min  0.56943
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   
;
CrysAlisPro 1.171.40.84a (Rigaku Oxford Diffraction, 2020)
Empirical absorption correction using spherical harmonics,
implemented in SCALE3 ABSPACK scaling algorithm.
;
_exptl_absorpt_special_details   ?
_exptl_crystal_colour            'clear light colourless'
_exptl_crystal_colour_lustre     clear
_exptl_crystal_colour_modifier   light
_exptl_crystal_colour_primary    colourless
_exptl_crystal_density_diffrn    2.062
_exptl_crystal_density_meas      ?
_exptl_crystal_density_method    ?
_exptl_crystal_description       needle
_exptl_crystal_F_000             3800
_exptl_crystal_size_max          0.12
_exptl_crystal_size_mid          0.06
_exptl_crystal_size_min          0.06
_exptl_transmission_factor_max   ?
_exptl_transmission_factor_min   ?
_diffrn_reflns_av_R_equivalents  0.0364
_diffrn_reflns_av_unetI/netI     0.0315
_diffrn_reflns_Laue_measured_fraction_full 1.000
_diffrn_reflns_Laue_measured_fraction_max 0.915
_diffrn_reflns_limit_h_max       19
_diffrn_reflns_limit_h_min       -17
_diffrn_reflns_limit_k_max       20
_diffrn_reflns_limit_k_min       -19
_diffrn_reflns_limit_l_max       42
_diffrn_reflns_limit_l_min       -42
_diffrn_reflns_number            81025
_diffrn_reflns_point_group_measured_fraction_full 1.000
_diffrn_reflns_point_group_measured_fraction_max 0.915
_diffrn_reflns_theta_full        25.242
_diffrn_reflns_theta_max         29.768
_diffrn_reflns_theta_min         1.486
_diffrn_ambient_environment      N~2~
_diffrn_ambient_temperature      180.00(10)
_diffrn_detector                 'Hybrid Pixel Array Detector'
_diffrn_detector_area_resol_mean 10.0000
_diffrn_detector_type            HyPix
_diffrn_measured_fraction_theta_full 1.000
_diffrn_measured_fraction_theta_max 0.915
_diffrn_measurement_details      
;
List of Runs (angles in degrees, time in seconds):

  # Type    Start    End  Width  tₑₓₚ   ω     θ     κ     φ   Frames
#--------------------------------------------------------------------------
  1  ω      1.00  27.00   0.50    7.00    --   25.84 -19.00  60.00   52
  2  ω    -24.00  55.00   0.50    7.00    --  -27.48  19.00  30.00  158
  3  ω    -16.00  10.00   0.50    7.00    --   25.84 100.00-124.00   52
  4  ω     24.00  49.00   0.50    7.00    --   25.84-100.00 129.00   50
  5  ω    -15.00  10.00   0.50    7.00    --   25.84-100.00 129.00   50
  6  ω    -14.00  11.00   0.50    7.00    --  -27.48-100.00 129.00   50
  7  ω    -38.00 -12.00   0.50    7.00    --   25.84 -19.00  60.00   52
  8  ω    -67.00 -42.00   0.50    7.00    --   25.84 -19.00  60.00   50
  9  ω    -37.00  55.00   0.50    7.00    --  -27.48  37.00 120.00  184
 10  ω     77.00 107.00   0.50    7.00    --   25.84 178.00 120.00   60
 11  ω     50.00 107.00   0.50    7.00    --   25.84 178.00  30.00  114
 12  ω     47.00 107.00   0.50    7.00    --   25.84 178.00 -90.00  120
 13  ω     49.00  87.00   0.50    7.00    --   25.84 178.00 -60.00   76
 14  ω     26.00  51.00   0.50    7.00    --  -27.48  19.00-120.00   50
 15  ω    -63.00  55.00   0.50    7.00    --  -27.48  57.00  30.00  236
 16  ω    -67.00  12.00   0.50    7.00    --  -27.48 100.00-124.00  158
;
_diffrn_measurement_device       'four-circle diffractometer'
_diffrn_measurement_device_type  'XtaLAB Synergy R, DW system, HyPix'
_diffrn_measurement_method       'ω scans'
_diffrn_orient_matrix_type       
'CrysAlisPro convention (1999,Acta A55,543-557)'
_diffrn_orient_matrix_UB_11      -0.0033596000
_diffrn_orient_matrix_UB_12      -0.0070487000
_diffrn_orient_matrix_UB_13      0.0219866000
_diffrn_orient_matrix_UB_21      0.0282451000
_diffrn_orient_matrix_UB_22      -0.0403317000
_diffrn_orient_matrix_UB_23      0.0008230000
_diffrn_orient_matrix_UB_31      0.0432683000
_diffrn_orient_matrix_UB_32      0.0258017000
_diffrn_orient_matrix_UB_33      0.0073050000
_diffrn_radiation_monochromator  mirror
_diffrn_radiation_probe          x-ray
_diffrn_radiation_type           'Mo K\a'
_diffrn_radiation_wavelength     0.71073
_diffrn_source                   'Rotating-anode X-ray tube'
_diffrn_source_type              'Rigaku (Mo) X-ray Source'
_reflns_Friedel_coverage         0.000
_reflns_Friedel_fraction_full    .
_reflns_Friedel_fraction_max     .
_reflns_number_gt                13772
_reflns_number_total             16468
_reflns_special_details          
;
 Reflections were merged by SHELXL according to the crystal
 class for the calculation of statistics and refinement.
 
 _reflns_Friedel_fraction is defined as the number of unique
 Friedel pairs measured divided by the number that would be
 possible theoretically, ignoring centric projections and
 systematic absences.
;
_reflns_threshold_expression     'I > 2σ(I)'
_computing_cell_refinement       'CrysAlisPro 1.171.40.84a (Rigaku OD, 2020)'
_computing_data_collection       'CrysAlisPro 1.171.40.84a (Rigaku OD, 2020)'
_computing_data_reduction        'CrysAlisPro 1.171.40.84a (Rigaku OD, 2020)'
_computing_molecular_graphics    'Olex2 1.5 (Dolomanov et al., 2009)'
_computing_publication_material  'Olex2 1.5 (Dolomanov et al., 2009)'
_computing_structure_refinement  'SHELXL 2018/3 (Sheldrick, 2015)'
_computing_structure_solution    'SHELXT 2018/2 (Sheldrick, 2018)'
_refine_diff_density_max         0.928
_refine_diff_density_min         -0.958
_refine_diff_density_rms         0.101
_refine_ls_extinction_coef       .
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.017
_refine_ls_hydrogen_treatment    mixed
_refine_ls_matrix_type           full
_refine_ls_number_parameters     663
_refine_ls_number_reflns         16468
_refine_ls_number_restraints     9
_refine_ls_R_factor_all          0.0405
_refine_ls_R_factor_gt           0.0286
_refine_ls_restrained_S_all      1.017
_refine_ls_shift/su_max          0.007
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details     
'w=1/[σ²(Fo²)+(0.0172P)²+7.6614P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0524
_refine_ls_wR_factor_ref         0.0551
_refine_special_details          ?
_olex2_refinement_description    
;
1. Fixed Uiso
 At 1.2 times of:
  All C(H,H) groups
 At 1.5 times of:
  All C(H,H,H) groups, All O(H) groups
2. Restrained distances
 O16-H16
 0.85 with sigma of 0.01
 O8-H8
 0.85 with sigma of 0.01
 O15-H15
 0.85 with sigma of 0.01
 Eu2-H15
 3.070026 with sigma of 0.02
 Eu1-H8
 3.126137 with sigma of 0.02
 C20-H8
 1.889098 with sigma of 0.02
 C39-H15
 1.900172 with sigma of 0.02
 C40-H16
 1.89757 with sigma of 0.02
 Eu2-H16
 3.073598 with sigma of 0.02
3.a Secondary CH2 refined with riding coordinates:
 C1(H1A,H1B), C2(H2A,H2B), C3(H3A,H3B), C4(H4A,H4B), C5(H5A,H5B), C6(H6A,H6B),
 C7(H7A,H7B), C8(H8A,H8B), C9(H9A,H9B), C10(H10A,H10B), C11(H11A,H11B),
 C12(H12A,H12B), C13(H13A,H13B), C14(H14A,H14B), C15(H15A,H15B), C16(H16A,H16B),
  C17(H17A,H17B), C18(H18A,H18B), C21(H21A,H21B), C22(H22A,H22B), C23(H23A,
 H23B), C24(H24A,H24B), C25(H25A,H25B), C26(H26A,H26B), C27(H27A,H27B),
 C28(H28A,H28B), C29(H29A,H29B), C30(H30A,H30B), C31(H31A,H31B), C32(H32A,H32B),
  C33(H33A,H33B), C34(H34A,H34B), C35(H35A,H35B), C36(H36A,H36B), C37(H37A,
 H37B), C38(H38A,H38B)
3.b Idealised Me refined as rotating group:
 C19(H19A,H19B,H19C), C20(H20A,H20B,H20C), C39(H39A,H39B,H39C), C40(H40A,H40B,
 H40C)
3.c Idealised tetrahedral OH refined as rotating group:
 O7(H7)
;
_atom_sites_solution_hydrogens   mixed
_atom_sites_solution_primary     dual
_atom_sites_solution_secondary   ?
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
Br1 Br 0.20661(2) 0.76842(2) 0.84283(2) 0.03502(7) Uani 1 1 d . . . . .
Br2 Br 0.29169(2) 0.70436(2) 0.73642(2) 0.03398(7) Uani 1 1 d . . . . .
Br3 Br 0.45531(2) 0.86798(2) 0.82739(2) 0.03218(7) Uani 1 1 d . . . . .
Br4 Br 0.43661(2) 0.60488(2) 0.84784(2) 0.03388(7) Uani 1 1 d . . . . .
Zn1 Zn 0.35022(2) 0.73644(2) 0.81316(2) 0.02269(7) Uani 1 1 d . . . . .
Br5 Br 0.70671(2) 0.70008(2) 0.59158(2) 0.03283(7) Uani 1 1 d . . . . .
Br6 Br 0.91769(2) 0.88147(2) 0.58043(2) 0.03449(7) Uani 1 1 d . . . . .
Br7 Br 0.79599(2) 0.73092(2) 0.48271(2) 0.03366(7) Uani 1 1 d . . . . .
Br8 Br 0.96504(2) 0.61562(2) 0.59069(2) 0.03444(7) Uani 1 1 d . . . . .
Zn2 Zn 0.84948(2) 0.73238(2) 0.56105(2) 0.02264(7) Uani 1 1 d . . . . .
C1 C 0.5917(2) 0.8415(2) 0.73070(10) 0.0317(7) Uani 1 1 d . . . . .
H1A H 0.554256 0.887048 0.710429 0.038 Uiso 1 1 calc R U . . .
H1B H 0.578424 0.852215 0.759998 0.038 Uiso 1 1 calc R U . . .
C2 C 0.5576(2) 0.7479(2) 0.71558(11) 0.0338(7) Uani 1 1 d . . . . .
H2A H 0.486391 0.742651 0.713437 0.041 Uiso 1 1 calc R U . . .
H2B H 0.570658 0.736104 0.686331 0.041 Uiso 1 1 calc R U . . .
C3 C 0.5703(2) 0.5927(2) 0.73645(11) 0.0353(7) Uani 1 1 d . . . . .
H3A H 0.581664 0.572669 0.707840 0.042 Uiso 1 1 calc R U . . .
H3B H 0.499137 0.592265 0.734871 0.042 Uiso 1 1 calc R U . . .
C4 C 0.6209(2) 0.5298(2) 0.77175(11) 0.0327(7) Uani 1 1 d . . . . .
H4A H 0.607067 0.548345 0.800126 0.039 Uiso 1 1 calc R U . . .
H4B H 0.597052 0.466665 0.765322 0.039 Uiso 1 1 calc R U . . .
C5 C 0.7737(2) 0.4638(2) 0.80167(10) 0.0308(7) Uani 1 1 d . . . . .
H5A H 0.753401 0.403266 0.788800 0.037 Uiso 1 1 calc R U . . .
H5B H 0.756756 0.467130 0.830643 0.037 Uiso 1 1 calc R U . . .
C6 C 0.8817(2) 0.47535(19) 0.80679(10) 0.0293(6) Uani 1 1 d . . . . .
H6A H 0.915728 0.426217 0.825903 0.035 Uiso 1 1 calc R U . . .
H6B H 0.898044 0.468692 0.777824 0.035 Uiso 1 1 calc R U . . .
C7 C 0.7353(2) 0.9341(2) 0.76072(10) 0.0329(7) Uani 1 1 d . . . . .
H7A H 0.702903 0.990156 0.747025 0.039 Uiso 1 1 calc R U . . .
H7B H 0.806087 0.940197 0.762176 0.039 Uiso 1 1 calc R U . . .
C8 C 0.7190(2) 0.9262(2) 0.80640(10) 0.0329(7) Uani 1 1 d . . . . .
H8A H 0.761973 0.969275 0.826061 0.039 Uiso 1 1 calc R U . . .
H8B H 0.650336 0.941024 0.806659 0.039 Uiso 1 1 calc R U . . .
C9 C 0.7235(2) 0.8170(2) 0.86373(9) 0.0281(6) Uani 1 1 d . . . . .
H9A H 0.669737 0.855754 0.869193 0.034 Uiso 1 1 calc R U . . .
H9B H 0.782990 0.830101 0.886429 0.034 Uiso 1 1 calc R U . . .
C10 C 0.6970(2) 0.7186(2) 0.86474(10) 0.0284(6) Uani 1 1 d . . . . .
H10A H 0.692545 0.701790 0.894811 0.034 Uiso 1 1 calc R U . . .
H10B H 0.632011 0.708692 0.845299 0.034 Uiso 1 1 calc R U . . .
C11 C 0.8608(2) 0.6574(2) 0.88069(9) 0.0277(6) Uani 1 1 d . . . . .
H11A H 0.853023 0.658752 0.911294 0.033 Uiso 1 1 calc R U . . .
H11B H 0.900742 0.710547 0.875930 0.033 Uiso 1 1 calc R U . . .
C12 C 0.9092(2) 0.5702(2) 0.87186(9) 0.0299(7) Uani 1 1 d . . . . .
H12A H 0.975045 0.566649 0.891236 0.036 Uiso 1 1 calc R U . . .
H12B H 0.870658 0.517713 0.878597 0.036 Uiso 1 1 calc R U . . .
C13 C 0.7142(2) 0.8683(2) 0.68858(10) 0.0324(7) Uani 1 1 d . . . . .
H13A H 0.685212 0.927374 0.677100 0.039 Uiso 1 1 calc R U . . .
H13B H 0.679856 0.819540 0.669289 0.039 Uiso 1 1 calc R U . . .
C14 C 0.8193(2) 0.8676(2) 0.68659(11) 0.0347(7) Uani 1 1 d . . . . .
H14A H 0.825674 0.873694 0.655911 0.042 Uiso 1 1 calc R U . . .
H14B H 0.853734 0.919335 0.703580 0.042 Uiso 1 1 calc R U . . .
C15 C 0.9618(2) 0.7757(2) 0.70244(11) 0.0368(8) Uani 1 1 d . . . . .
H15A H 1.001005 0.820760 0.722416 0.044 Uiso 1 1 calc R U . . .
H15B H 0.969070 0.788911 0.672369 0.044 Uiso 1 1 calc R U . . .
C16 C 0.9976(2) 0.6820(2) 0.71521(11) 0.0356(7) Uani 1 1 d . . . . .
H16A H 0.962019 0.637010 0.694038 0.043 Uiso 1 1 calc R U . . .
H16B H 1.068071 0.677420 0.715456 0.043 Uiso 1 1 calc R U . . .
C17 C 1.0376(2) 0.5884(2) 0.77821(10) 0.0315(7) Uani 1 1 d . . . . .
H17A H 1.107678 0.599114 0.779353 0.038 Uiso 1 1 calc R U . . .
H17B H 1.017379 0.532213 0.761090 0.038 Uiso 1 1 calc R U . . .
C18 C 1.0211(2) 0.5776(2) 0.82377(10) 0.0303(7) Uani 1 1 d . . . . .
H18A H 1.059245 0.524584 0.837744 0.036 Uiso 1 1 calc R U . . .
H18B H 1.046360 0.632533 0.840993 0.036 Uiso 1 1 calc R U . . .
C19 C 0.7742(3) 0.5225(2) 0.67976(11) 0.0374(8) Uani 1 1 d . . . . .
H19A H 0.713176 0.507925 0.658907 0.056 Uiso 1 1 calc R U . . .
H19B H 0.783210 0.480334 0.704569 0.056 Uiso 1 1 calc R U . . .
H19C H 0.829040 0.516606 0.665335 0.056 Uiso 1 1 calc R U . . .
C20 C 0.9732(2) 0.8872(2) 0.83964(12) 0.0434(9) Uani 1 1 d D . . . .
H20A H 0.965164 0.943222 0.822153 0.065 Uiso 1 1 calc R U . . .
H20B H 1.040687 0.882952 0.856480 0.065 Uiso 1 1 calc R U . . .
H20C H 0.928708 0.888397 0.859701 0.065 Uiso 1 1 calc R U . . .
Eu1 Eu 0.80065(2) 0.70032(2) 0.77118(2) 0.01721(3) Uani 1 1 d D . . . .
N1 N 0.69737(17) 0.85478(16) 0.73296(8) 0.0250(5) Uani 1 1 d . . . . .
N2 N 0.91772(16) 0.56455(16) 0.82558(7) 0.0232(5) Uani 1 1 d . . . . .
O1 O 0.60856(13) 0.68282(14) 0.74639(7) 0.0276(4) Uani 1 1 d . . . . .
O2 O 0.72385(13) 0.53383(13) 0.77399(6) 0.0235(4) Uani 1 1 d . . . . .
O3 O 0.74059(14) 0.83477(14) 0.82084(6) 0.0279(4) Uani 1 1 d . . . . .
O4 O 0.76725(14) 0.66034(14) 0.85102(6) 0.0268(4) Uani 1 1 d . . . . .
O5 O 0.86111(14) 0.78311(13) 0.70448(7) 0.0277(4) Uani 1 1 d . . . . .
O6 O 0.98150(14) 0.66389(15) 0.75809(7) 0.0298(5) Uani 1 1 d . . . . .
O7 O 0.76990(17) 0.61366(14) 0.69498(7) 0.0338(5) Uani 1 1 d . . . . .
H7 H 0.768764 0.650200 0.674238 0.051 Uiso 1 1 calc R U . . .
O8 O 0.95154(16) 0.81035(16) 0.81149(8) 0.0410(6) Uani 1 1 d D . . . .
H8 H 1.0039(10) 0.7924(19) 0.8047(11) 0.062 Uiso 1 1 d D U . . .
C21 C 0.3770(2) 0.98509(19) 0.55087(10) 0.0280(6) Uani 1 1 d . . . . .
H21A H 0.392655 0.985852 0.521614 0.034 Uiso 1 1 calc R U . . .
H21B H 0.410563 1.037565 0.567599 0.034 Uiso 1 1 calc R U . . .
C22 C 0.2687(2) 0.99637(19) 0.54566(10) 0.0295(7) Uani 1 1 d . . . . .
H22A H 0.251931 0.997312 0.574710 0.035 Uiso 1 1 calc R U . . .
H22B H 0.247201 1.054714 0.530698 0.035 Uiso 1 1 calc R U . . .
C23 C 0.1184(2) 0.9232(2) 0.51876(11) 0.0317(7) Uani 1 1 d . . . . .
H23A H 0.092030 0.985133 0.511111 0.038 Uiso 1 1 calc R U . . .
H23B H 0.106021 0.906652 0.547656 0.038 Uiso 1 1 calc R U . . .
C24 C 0.0696(2) 0.8566(2) 0.48520(11) 0.0362(7) Uani 1 1 d . . . . .
H24A H -0.001300 0.855065 0.484248 0.043 Uiso 1 1 calc R U . . .
H24B H 0.078811 0.875146 0.456034 0.043 Uiso 1 1 calc R U . . .
C25 C 0.0652(2) 0.7020(2) 0.46443(11) 0.0387(8) Uani 1 1 d . . . . .
H25A H 0.082929 0.713470 0.436052 0.046 Uiso 1 1 calc R U . . .
H25B H -0.006621 0.705842 0.460062 0.046 Uiso 1 1 calc R U . . .
C26 C 0.1000(2) 0.6095(2) 0.48127(12) 0.0386(8) Uani 1 1 d . . . . .
H26A H 0.083328 0.599610 0.509979 0.046 Uiso 1 1 calc R U . . .
H26B H 0.065760 0.562424 0.460880 0.046 Uiso 1 1 calc R U . . .
C27 C 0.4041(2) 0.9004(2) 0.61947(9) 0.0270(6) Uani 1 1 d . . . . .
H27A H 0.363690 0.953333 0.624076 0.032 Uiso 1 1 calc R U . . .
H27B H 0.469220 0.907414 0.639182 0.032 Uiso 1 1 calc R U . . .
C28 C 0.35740(19) 0.8141(2) 0.63074(9) 0.0242(6) Uani 1 1 d . . . . .
H28A H 0.398682 0.760734 0.627753 0.029 Uiso 1 1 calc R U . . .
H28B H 0.348941 0.816585 0.661230 0.029 Uiso 1 1 calc R U . . .
C29 C 0.1965(2) 0.74800(19) 0.61575(10) 0.0265(6) Uani 1 1 d . . . . .
H29A H 0.131129 0.754889 0.596273 0.032 Uiso 1 1 calc R U . . .
H29B H 0.191794 0.766593 0.645550 0.032 Uiso 1 1 calc R U . . .
C30 C 0.2270(2) 0.6499(2) 0.61640(9) 0.0270(6) Uani 1 1 d . . . . .
H30A H 0.287238 0.640045 0.639166 0.032 Uiso 1 1 calc R U . . .
H30B H 0.175016 0.610141 0.622856 0.032 Uiso 1 1 calc R U . . .
C31 C 0.2246(3) 0.5367(2) 0.56151(11) 0.0394(8) Uani 1 1 d . . . . .
H31A H 0.155489 0.521907 0.560815 0.047 Uiso 1 1 calc R U . . .
H31B H 0.266455 0.495659 0.582809 0.047 Uiso 1 1 calc R U . . .
C32 C 0.2455(3) 0.5237(2) 0.51673(11) 0.0410(8) Uani 1 1 d . . . . .
H32A H 0.316946 0.519343 0.519598 0.049 Uiso 1 1 calc R U . . .
H32B H 0.216217 0.465361 0.504339 0.049 Uiso 1 1 calc R U . . .
C33 C 0.5192(2) 0.8874(2) 0.57325(10) 0.0297(7) Uani 1 1 d . . . . .
H33A H 0.545112 0.835748 0.592674 0.036 Uiso 1 1 calc R U . . .
H33B H 0.555269 0.942953 0.585473 0.036 Uiso 1 1 calc R U . . .
C34 C 0.5385(2) 0.8696(2) 0.52869(10) 0.0302(7) Uani 1 1 d . . . . .
H34A H 0.516090 0.922093 0.509226 0.036 Uiso 1 1 calc R U . . .
H34B H 0.609471 0.861688 0.530947 0.036 Uiso 1 1 calc R U . . .
C35 C 0.5095(2) 0.7651(2) 0.46990(11) 0.0343(7) Uani 1 1 d . . . . .
H35A H 0.580535 0.770305 0.471620 0.041 Uiso 1 1 calc R U . . .
H35B H 0.475147 0.806881 0.446746 0.041 Uiso 1 1 calc R U . . .
C36 C 0.4768(2) 0.6695(2) 0.45937(11) 0.0361(7) Uani 1 1 d . . . . .
H36A H 0.486314 0.652752 0.430018 0.043 Uiso 1 1 calc R U . . .
H36B H 0.515747 0.627165 0.480988 0.043 Uiso 1 1 calc R U . . .
C37 C 0.3343(2) 0.5781(2) 0.44257(11) 0.0351(7) Uani 1 1 d . . . . .
H37A H 0.367127 0.526558 0.460302 0.042 Uiso 1 1 calc R U . . .
H37B H 0.343210 0.570854 0.412315 0.042 Uiso 1 1 calc R U . . .
C38 C 0.2276(2) 0.5783(2) 0.44274(11) 0.0357(7) Uani 1 1 d . . . . .
H38A H 0.194308 0.624283 0.421477 0.043 Uiso 1 1 calc R U . . .
H38B H 0.199831 0.517827 0.432879 0.043 Uiso 1 1 calc R U . . .
C39 C 0.2612(3) 0.9204(2) 0.42574(11) 0.0416(8) Uani 1 1 d D . . . .
H39A H 0.203539 0.919777 0.401539 0.062 Uiso 1 1 calc R U . . .
H39B H 0.318575 0.938275 0.414740 0.062 Uiso 1 1 calc R U . . .
H39C H 0.251170 0.964229 0.447944 0.062 Uiso 1 1 calc R U . . .
C40 C 0.4786(2) 0.5838(2) 0.59955(12) 0.0397(8) Uani 1 1 d D . . . .
H40A H 0.470984 0.525308 0.584019 0.060 Uiso 1 1 calc R U . . .
H40B H 0.434995 0.585643 0.619975 0.060 Uiso 1 1 calc R U . . .
H40C H 0.546373 0.590488 0.615780 0.060 Uiso 1 1 calc R U . . .
Eu2 Eu 0.30424(2) 0.75521(2) 0.52247(2) 0.01824(3) Uani 1 1 d D . . . .
N3 N 0.41471(16) 0.89979(15) 0.57346(8) 0.0221(5) Uani 1 1 d . . . . .
N4 N 0.20695(18) 0.59859(17) 0.48613(9) 0.0302(6) Uani 1 1 d . . . . .
O9 O 0.22091(13) 0.92203(13) 0.52054(6) 0.0239(4) Uani 1 1 d . . . . .
O10 O 0.11094(14) 0.76837(14) 0.49607(7) 0.0289(4) Uani 1 1 d . . . . .
O11 O 0.26431(13) 0.80677(13) 0.60085(6) 0.0241(4) Uani 1 1 d . . . . .
O12 O 0.24412(15) 0.62914(13) 0.57399(7) 0.0287(4) Uani 1 1 d . . . . .
O13 O 0.48803(14) 0.78924(13) 0.51096(6) 0.0255(4) Uani 1 1 d . . . . .
O14 O 0.37589(14) 0.66229(14) 0.46036(7) 0.0289(5) Uani 1 1 d . . . . .
O15 O 0.27589(18) 0.83258(15) 0.44442(7) 0.0378(5) Uani 1 1 d D . . . .
H15 H 0.276(3) 0.7931(10) 0.4246(5) 0.057 Uiso 1 1 d D U . . .
O16 O 0.45477(15) 0.65633(15) 0.56886(8) 0.0363(5) Uani 1 1 d D . . . .
H16 H 0.5060(10) 0.674(2) 0.5611(10) 0.055 Uiso 1 1 d D U . . .


_geom_special_details            
;
 All esds (except the esd in the dihedral angle between two l.s. planes)
 are estimated using the full covariance matrix.  The cell esds are taken
 into account individually in the estimation of esds in distances, angles
 and torsion angles; correlations between esds in cell parameters are only
 used when they are defined by crystal symmetry.  An approximate (isotropic)
 treatment of cell esds is used for estimating esds involving l.s. planes.
;
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
Br1 Zn1 2.4462(4) . ?
Br2 Zn1 2.4121(5) . ?
Br3 Zn1 2.4092(4) . ?
Br4 Zn1 2.4065(4) . ?
Br5 Zn2 2.4516(4) . ?
Br6 Zn2 2.4094(4) . ?
Br7 Zn2 2.4059(5) . ?
Br8 Zn2 2.4004(4) . ?
C1 H1A 0.9900 . ?
C1 H1B 0.9900 . ?
C1 C2 1.495(4) . ?
C1 N1 1.483(4) . ?
C2 H2A 0.9900 . ?
C2 H2B 0.9900 . ?
C2 O1 1.432(4) . ?
C3 H3A 0.9900 . ?
C3 H3B 0.9900 . ?
C3 C4 1.495(5) . ?
C3 O1 1.434(4) . ?
C4 H4A 0.9900 . ?
C4 H4B 0.9900 . ?
C4 O2 1.433(3) . ?
C5 H5A 0.9900 . ?
C5 H5B 0.9900 . ?
C5 C6 1.499(4) . ?
C5 O2 1.425(3) . ?
C6 H6A 0.9900 . ?
C6 H6B 0.9900 . ?
C6 N2 1.477(4) . ?
C7 H7A 0.9900 . ?
C7 H7B 0.9900 . ?
C7 C8 1.505(4) . ?
C7 N1 1.479(4) . ?
C8 H8A 0.9900 . ?
C8 H8B 0.9900 . ?
C8 O3 1.425(4) . ?
C9 H9A 0.9900 . ?
C9 H9B 0.9900 . ?
C9 C10 1.491(4) . ?
C9 O3 1.442(3) . ?
C10 H10A 0.9900 . ?
C10 H10B 0.9900 . ?
C10 O4 1.441(3) . ?
C11 H11A 0.9900 . ?
C11 H11B 0.9900 . ?
C11 C12 1.502(4) . ?
C11 O4 1.434(3) . ?
C12 H12A 0.9900 . ?
C12 H12B 0.9900 . ?
C12 N2 1.485(4) . ?
C13 H13A 0.9900 . ?
C13 H13B 0.9900 . ?
C13 C14 1.492(4) . ?
C13 N1 1.476(4) . ?
C14 H14A 0.9900 . ?
C14 H14B 0.9900 . ?
C14 O5 1.430(4) . ?
C15 H15A 0.9900 . ?
C15 H15B 0.9900 . ?
C15 C16 1.486(5) . ?
C15 O5 1.434(4) . ?
C16 H16A 0.9900 . ?
C16 H16B 0.9900 . ?
C16 O6 1.437(4) . ?
C17 H17A 0.9900 . ?
C17 H17B 0.9900 . ?
C17 C18 1.506(4) . ?
C17 O6 1.422(4) . ?
C18 H18A 0.9900 . ?
C18 H18B 0.9900 . ?
C18 N2 1.478(3) . ?
C19 H19A 0.9800 . ?
C19 H19B 0.9800 . ?
C19 H19C 0.9800 . ?
C19 O7 1.424(4) . ?
C20 H20A 0.9800 . ?
C20 H20B 0.9800 . ?
C20 H20C 0.9800 . ?
C20 O8 1.422(4) . ?
Eu1 N1 2.811(2) . ?
Eu1 N2 2.887(2) . ?
Eu1 O1 2.6506(19) . ?
Eu1 O2 2.6772(18) . ?
Eu1 O3 2.7569(19) . ?
Eu1 O4 2.712(2) . ?
Eu1 O5 2.7122(19) . ?
Eu1 O6 2.7144(18) . ?
Eu1 O7 2.657(2) . ?
Eu1 O8 2.740(2) . ?
O7 H7 0.8400 . ?
O8 H8 0.850(9) . ?
C21 H21A 0.9900 . ?
C21 H21B 0.9900 . ?
C21 C22 1.503(4) . ?
C21 N3 1.476(4) . ?
C22 H22A 0.9900 . ?
C22 H22B 0.9900 . ?
C22 O9 1.423(3) . ?
C23 H23A 0.9900 . ?
C23 H23B 0.9900 . ?
C23 C24 1.487(4) . ?
C23 O9 1.429(3) . ?
C24 H24A 0.9900 . ?
C24 H24B 0.9900 . ?
C24 O10 1.428(4) . ?
C25 H25A 0.9900 . ?
C25 H25B 0.9900 . ?
C25 C26 1.498(5) . ?
C25 O10 1.436(4) . ?
C26 H26A 0.9900 . ?
C26 H26B 0.9900 . ?
C26 N4 1.484(4) . ?
C27 H27A 0.9900 . ?
C27 H27B 0.9900 . ?
C27 C28 1.503(4) . ?
C27 N3 1.483(4) . ?
C28 H28A 0.9900 . ?
C28 H28B 0.9900 . ?
C28 O11 1.435(3) . ?
C29 H29A 0.9900 . ?
C29 H29B 0.9900 . ?
C29 C30 1.498(4) . ?
C29 O11 1.436(3) . ?
C30 H30A 0.9900 . ?
C30 H30B 0.9900 . ?
C30 O12 1.436(3) . ?
C31 H31A 0.9900 . ?
C31 H31B 0.9900 . ?
C31 C32 1.509(5) . ?
C31 O12 1.421(4) . ?
C32 H32A 0.9900 . ?
C32 H32B 0.9900 . ?
C32 N4 1.480(4) . ?
C33 H33A 0.9900 . ?
C33 H33B 0.9900 . ?
C33 C34 1.505(4) . ?
C33 N3 1.480(3) . ?
C34 H34A 0.9900 . ?
C34 H34B 0.9900 . ?
C34 O13 1.423(3) . ?
C35 H35A 0.9900 . ?
C35 H35B 0.9900 . ?
C35 C36 1.490(5) . ?
C35 O13 1.431(3) . ?
C36 H36A 0.9900 . ?
C36 H36B 0.9900 . ?
C36 O14 1.428(3) . ?
C37 H37A 0.9900 . ?
C37 H37B 0.9900 . ?
C37 C38 1.500(4) . ?
C37 O14 1.425(4) . ?
C38 H38A 0.9900 . ?
C38 H38B 0.9900 . ?
C38 N4 1.483(4) . ?
C39 H39A 0.9800 . ?
C39 H39B 0.9800 . ?
C39 H39C 0.9800 . ?
C39 O15 1.411(4) . ?
C40 H40A 0.9800 . ?
C40 H40B 0.9800 . ?
C40 H40C 0.9800 . ?
C40 O16 1.424(4) . ?
Eu2 N3 2.892(2) . ?
Eu2 N4 2.784(2) . ?
Eu2 O9 2.7055(18) . ?
Eu2 O10 2.6654(19) . ?
Eu2 O11 2.7456(19) . ?
Eu2 O12 2.7093(19) . ?
Eu2 O13 2.7305(18) . ?
Eu2 O14 2.7439(19) . ?
Eu2 O15 2.647(2) . ?
Eu2 O16 2.708(2) . ?
O15 H15 0.851(9) . ?
O16 H16 0.850(9) . ?

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
Br2 Zn1 Br1 106.789(16) . . ?
Br3 Zn1 Br1 107.413(16) . . ?
Br3 Zn1 Br2 113.637(17) . . ?
Br4 Zn1 Br1 110.946(17) . . ?
Br4 Zn1 Br2 108.770(17) . . ?
Br4 Zn1 Br3 109.275(16) . . ?
Br6 Zn2 Br5 112.991(17) . . ?
Br7 Zn2 Br5 107.411(16) . . ?
Br7 Zn2 Br6 106.438(17) . . ?
Br8 Zn2 Br5 104.633(16) . . ?
Br8 Zn2 Br6 110.570(17) . . ?
Br8 Zn2 Br7 114.927(17) . . ?
H1A C1 H1B 107.8 . . ?
C2 C1 H1A 109.1 . . ?
C2 C1 H1B 109.1 . . ?
N1 C1 H1A 109.1 . . ?
N1 C1 H1B 109.1 . . ?
N1 C1 C2 112.6(2) . . ?
C1 C2 H2A 110.0 . . ?
C1 C2 H2B 110.0 . . ?
H2A C2 H2B 108.4 . . ?
O1 C2 C1 108.6(2) . . ?
O1 C2 H2A 110.0 . . ?
O1 C2 H2B 110.0 . . ?
H3A C3 H3B 108.4 . . ?
C4 C3 H3A 110.1 . . ?
C4 C3 H3B 110.1 . . ?
O1 C3 H3A 110.1 . . ?
O1 C3 H3B 110.1 . . ?
O1 C3 C4 108.2(2) . . ?
C3 C4 H4A 109.9 . . ?
C3 C4 H4B 109.9 . . ?
H4A C4 H4B 108.3 . . ?
O2 C4 C3 108.7(2) . . ?
O2 C4 H4A 109.9 . . ?
O2 C4 H4B 109.9 . . ?
H5A C5 H5B 108.2 . . ?
C6 C5 H5A 109.8 . . ?
C6 C5 H5B 109.8 . . ?
O2 C5 H5A 109.8 . . ?
O2 C5 H5B 109.8 . . ?
O2 C5 C6 109.5(2) . . ?
C5 C6 H6A 109.0 . . ?
C5 C6 H6B 109.0 . . ?
H6A C6 H6B 107.8 . . ?
N2 C6 C5 113.1(2) . . ?
N2 C6 H6A 109.0 . . ?
N2 C6 H6B 109.0 . . ?
H7A C7 H7B 107.8 . . ?
C8 C7 H7A 109.0 . . ?
C8 C7 H7B 109.0 . . ?
N1 C7 H7A 109.0 . . ?
N1 C7 H7B 109.0 . . ?
N1 C7 C8 112.9(3) . . ?
C7 C8 H8A 110.1 . . ?
C7 C8 H8B 110.1 . . ?
H8A C8 H8B 108.4 . . ?
O3 C8 C7 108.0(2) . . ?
O3 C8 H8A 110.1 . . ?
O3 C8 H8B 110.1 . . ?
H9A C9 H9B 108.6 . . ?
C10 C9 H9A 110.4 . . ?
C10 C9 H9B 110.4 . . ?
O3 C9 H9A 110.4 . . ?
O3 C9 H9B 110.4 . . ?
O3 C9 C10 106.8(2) . . ?
C9 C10 H10A 109.2 . . ?
C9 C10 H10B 109.2 . . ?
H10A C10 H10B 107.9 . . ?
O4 C10 C9 112.1(2) . . ?
O4 C10 H10A 109.2 . . ?
O4 C10 H10B 109.2 . . ?
H11A C11 H11B 108.6 . . ?
C12 C11 H11A 110.3 . . ?
C12 C11 H11B 110.3 . . ?
O4 C11 H11A 110.3 . . ?
O4 C11 H11B 110.3 . . ?
O4 C11 C12 107.0(2) . . ?
C11 C12 H12A 109.3 . . ?
C11 C12 H12B 109.3 . . ?
H12A C12 H12B 108.0 . . ?
N2 C12 C11 111.4(2) . . ?
N2 C12 H12A 109.3 . . ?
N2 C12 H12B 109.3 . . ?
H13A C13 H13B 107.7 . . ?
C14 C13 H13A 108.8 . . ?
C14 C13 H13B 108.8 . . ?
N1 C13 H13A 108.8 . . ?
N1 C13 H13B 108.8 . . ?
N1 C13 C14 113.8(3) . . ?
C13 C14 H14A 110.0 . . ?
C13 C14 H14B 110.0 . . ?
H14A C14 H14B 108.4 . . ?
O5 C14 C13 108.3(2) . . ?
O5 C14 H14A 110.0 . . ?
O5 C14 H14B 110.0 . . ?
H15A C15 H15B 108.2 . . ?
C16 C15 H15A 109.7 . . ?
C16 C15 H15B 109.7 . . ?
O5 C15 H15A 109.7 . . ?
O5 C15 H15B 109.7 . . ?
O5 C15 C16 109.7(2) . . ?
C15 C16 H16A 110.1 . . ?
C15 C16 H16B 110.1 . . ?
H16A C16 H16B 108.4 . . ?
O6 C16 C15 108.0(3) . . ?
O6 C16 H16A 110.1 . . ?
O6 C16 H16B 110.1 . . ?
H17A C17 H17B 108.4 . . ?
C18 C17 H17A 110.0 . . ?
C18 C17 H17B 110.0 . . ?
O6 C17 H17A 110.0 . . ?
O6 C17 H17B 110.0 . . ?
O6 C17 C18 108.5(2) . . ?
C17 C18 H18A 108.7 . . ?
C17 C18 H18B 108.7 . . ?
H18A C18 H18B 107.6 . . ?
N2 C18 C17 114.1(2) . . ?
N2 C18 H18A 108.7 . . ?
N2 C18 H18B 108.7 . . ?
H19A C19 H19B 109.5 . . ?
H19A C19 H19C 109.5 . . ?
H19B C19 H19C 109.5 . . ?
O7 C19 H19A 109.5 . . ?
O7 C19 H19B 109.5 . . ?
O7 C19 H19C 109.5 . . ?
H20A C20 H20B 109.5 . . ?
H20A C20 H20C 109.5 . . ?
H20B C20 H20C 109.5 . . ?
O8 C20 H20A 109.5 . . ?
O8 C20 H20B 109.5 . . ?
O8 C20 H20C 109.5 . . ?
N1 Eu1 N2 168.59(7) . . ?
O1 Eu1 N1 63.67(7) . . ?
O1 Eu1 N2 121.13(6) . . ?
O1 Eu1 O2 61.96(6) . . ?
O1 Eu1 O3 79.41(6) . . ?
O1 Eu1 O4 82.98(6) . . ?
O1 Eu1 O5 106.78(6) . . ?
O1 Eu1 O6 149.63(6) . . ?
O1 Eu1 O7 74.74(7) . . ?
O1 Eu1 O8 145.69(6) . . ?
O2 Eu1 N1 125.05(6) . . ?
O2 Eu1 N2 62.20(6) . . ?
O2 Eu1 O3 117.20(6) . . ?
O2 Eu1 O4 67.64(6) . . ?
O2 Eu1 O5 129.06(6) . . ?
O2 Eu1 O6 102.89(6) . . ?
O2 Eu1 O8 142.89(7) . . ?
O3 Eu1 N1 58.12(6) . . ?
O3 Eu1 N2 111.35(6) . . ?
O4 Eu1 N1 112.94(6) . . ?
O4 Eu1 N2 59.83(6) . . ?
O4 Eu1 O3 59.72(6) . . ?
O4 Eu1 O5 163.05(6) . . ?
O4 Eu1 O6 117.10(6) . . ?
O4 Eu1 O8 88.56(7) . . ?
O5 Eu1 N1 62.00(6) . . ?
O5 Eu1 N2 121.99(6) . . ?
O5 Eu1 O3 107.64(6) . . ?
O5 Eu1 O6 60.56(6) . . ?
O5 Eu1 O8 75.56(7) . . ?
O6 Eu1 N1 120.41(7) . . ?
O6 Eu1 N2 61.56(6) . . ?
O6 Eu1 O3 129.74(6) . . ?
O6 Eu1 O8 62.03(7) . . ?
O7 Eu1 N1 92.01(7) . . ?
O7 Eu1 N2 99.24(7) . . ?
O7 Eu1 O2 66.87(6) . . ?
O7 Eu1 O3 147.22(7) . . ?
O7 Eu1 O4 134.49(6) . . ?
O7 Eu1 O5 62.36(6) . . ?
O7 Eu1 O6 75.03(7) . . ?
O7 Eu1 O8 130.70(7) . . ?
O8 Eu1 N1 89.82(7) . . ?
O8 Eu1 N2 81.44(7) . . ?
O8 Eu1 O3 67.71(6) . . ?
C1 N1 Eu1 109.35(17) . . ?
C7 N1 C1 111.0(2) . . ?
C7 N1 Eu1 107.27(17) . . ?
C13 N1 C1 109.8(2) . . ?
C13 N1 C7 109.8(2) . . ?
C13 N1 Eu1 109.61(16) . . ?
C6 N2 C12 110.2(2) . . ?
C6 N2 C18 110.7(2) . . ?
C6 N2 Eu1 105.89(16) . . ?
C12 N2 Eu1 112.38(16) . . ?
C18 N2 C12 108.8(2) . . ?
C18 N2 Eu1 108.92(17) . . ?
C2 O1 C3 111.0(2) . . ?
C2 O1 Eu1 117.32(17) . . ?
C3 O1 Eu1 117.47(16) . . ?
C4 O2 Eu1 116.44(16) . . ?
C5 O2 C4 110.8(2) . . ?
C5 O2 Eu1 121.96(16) . . ?
C8 O3 C9 113.5(2) . . ?
C8 O3 Eu1 124.24(16) . . ?
C9 O3 Eu1 122.17(16) . . ?
C10 O4 Eu1 114.67(16) . . ?
C11 O4 C10 114.5(2) . . ?
C11 O4 Eu1 106.58(16) . . ?
C14 O5 C15 111.8(2) . . ?
C14 O5 Eu1 121.22(16) . . ?
C15 O5 Eu1 118.70(17) . . ?
C16 O6 Eu1 116.83(16) . . ?
C17 O6 C16 111.9(2) . . ?
C17 O6 Eu1 122.08(16) . . ?
C19 O7 Eu1 137.68(19) . . ?
C19 O7 H7 109.5 . . ?
Eu1 O7 H7 111.3 . . ?
C20 O8 Eu1 142.22(19) . . ?
C20 O8 H8 108.7(12) . . ?
Eu1 O8 H8 109.1(12) . . ?
H21A C21 H21B 107.8 . . ?
C22 C21 H21A 109.0 . . ?
C22 C21 H21B 109.0 . . ?
N3 C21 H21A 109.0 . . ?
N3 C21 H21B 109.0 . . ?
N3 C21 C22 113.1(2) . . ?
C21 C22 H22A 110.0 . . ?
C21 C22 H22B 110.0 . . ?
H22A C22 H22B 108.4 . . ?
O9 C22 C21 108.6(2) . . ?
O9 C22 H22A 110.0 . . ?
O9 C22 H22B 110.0 . . ?
H23A C23 H23B 108.3 . . ?
C24 C23 H23A 109.9 . . ?
C24 C23 H23B 109.9 . . ?
O9 C23 H23A 109.9 . . ?
O9 C23 H23B 109.9 . . ?
O9 C23 C24 108.9(2) . . ?
C23 C24 H24A 109.9 . . ?
C23 C24 H24B 109.9 . . ?
H24A C24 H24B 108.3 . . ?
O10 C24 C23 109.0(2) . . ?
O10 C24 H24A 109.9 . . ?
O10 C24 H24B 109.9 . . ?
H25A C25 H25B 108.4 . . ?
C26 C25 H25A 110.1 . . ?
C26 C25 H25B 110.1 . . ?
O10 C25 H25A 110.1 . . ?
O10 C25 H25B 110.1 . . ?
O10 C25 C26 108.0(3) . . ?
C25 C26 H26A 109.2 . . ?
C25 C26 H26B 109.2 . . ?
H26A C26 H26B 107.9 . . ?
N4 C26 C25 112.2(3) . . ?
N4 C26 H26A 109.2 . . ?
N4 C26 H26B 109.2 . . ?
H27A C27 H27B 108.0 . . ?
C28 C27 H27A 109.3 . . ?
C28 C27 H27B 109.3 . . ?
N3 C27 H27A 109.3 . . ?
N3 C27 H27B 109.3 . . ?
N3 C27 C28 111.5(2) . . ?
C27 C28 H28A 110.3 . . ?
C27 C28 H28B 110.3 . . ?
H28A C28 H28B 108.6 . . ?
O11 C28 C27 106.9(2) . . ?
O11 C28 H28A 110.3 . . ?
O11 C28 H28B 110.3 . . ?
H29A C29 H29B 107.9 . . ?
C30 C29 H29A 109.3 . . ?
C30 C29 H29B 109.3 . . ?
O11 C29 H29A 109.3 . . ?
O11 C29 H29B 109.3 . . ?
O11 C29 C30 111.8(2) . . ?
C29 C30 H30A 110.3 . . ?
C29 C30 H30B 110.3 . . ?
H30A C30 H30B 108.5 . . ?
O12 C30 C29 107.3(2) . . ?
O12 C30 H30A 110.3 . . ?
O12 C30 H30B 110.3 . . ?
H31A C31 H31B 108.4 . . ?
C32 C31 H31A 110.1 . . ?
C32 C31 H31B 110.1 . . ?
O12 C31 H31A 110.1 . . ?
O12 C31 H31B 110.1 . . ?
O12 C31 C32 108.1(2) . . ?
C31 C32 H32A 109.0 . . ?
C31 C32 H32B 109.0 . . ?
H32A C32 H32B 107.8 . . ?
N4 C32 C31 113.1(3) . . ?
N4 C32 H32A 109.0 . . ?
N4 C32 H32B 109.0 . . ?
H33A C33 H33B 107.6 . . ?
C34 C33 H33A 108.7 . . ?
C34 C33 H33B 108.7 . . ?
N3 C33 H33A 108.7 . . ?
N3 C33 H33B 108.7 . . ?
N3 C33 C34 114.1(2) . . ?
C33 C34 H34A 109.8 . . ?
C33 C34 H34B 109.8 . . ?
H34A C34 H34B 108.3 . . ?
O13 C34 C33 109.3(2) . . ?
O13 C34 H34A 109.8 . . ?
O13 C34 H34B 109.8 . . ?
H35A C35 H35B 108.4 . . ?
C36 C35 H35A 110.0 . . ?
C36 C35 H35B 110.0 . . ?
O13 C35 H35A 110.0 . . ?
O13 C35 H35B 110.0 . . ?
O13 C35 C36 108.4(2) . . ?
C35 C36 H36A 109.9 . . ?
C35 C36 H36B 109.9 . . ?
H36A C36 H36B 108.3 . . ?
O14 C36 C35 108.9(2) . . ?
O14 C36 H36A 109.9 . . ?
O14 C36 H36B 109.9 . . ?
H37A C37 H37B 108.3 . . ?
C38 C37 H37A 109.9 . . ?
C38 C37 H37B 109.9 . . ?
O14 C37 H37A 109.9 . . ?
O14 C37 H37B 109.9 . . ?
O14 C37 C38 108.7(2) . . ?
C37 C38 H38A 108.8 . . ?
C37 C38 H38B 108.8 . . ?
H38A C38 H38B 107.7 . . ?
N4 C38 C37 113.7(3) . . ?
N4 C38 H38A 108.8 . . ?
N4 C38 H38B 108.8 . . ?
H39A C39 H39B 109.5 . . ?
H39A C39 H39C 109.5 . . ?
H39B C39 H39C 109.5 . . ?
O15 C39 H39A 109.5 . . ?
O15 C39 H39B 109.5 . . ?
O15 C39 H39C 109.5 . . ?
H40A C40 H40B 109.5 . . ?
H40A C40 H40C 109.5 . . ?
H40B C40 H40C 109.5 . . ?
O16 C40 H40A 109.5 . . ?
O16 C40 H40B 109.5 . . ?
O16 C40 H40C 109.5 . . ?
N4 Eu2 N3 170.36(7) . . ?
O9 Eu2 N3 61.77(6) . . ?
O9 Eu2 N4 124.41(7) . . ?
O9 Eu2 O11 66.33(6) . . ?
O9 Eu2 O12 116.06(6) . . ?
O9 Eu2 O13 104.42(6) . . ?
O9 Eu2 O14 131.09(6) . . ?
O9 Eu2 O16 141.12(7) . . ?
O10 Eu2 N3 120.30(6) . . ?
O10 Eu2 N4 63.76(7) . . ?
O10 Eu2 O9 61.42(6) . . ?
O10 Eu2 O11 82.12(6) . . ?
O10 Eu2 O12 78.72(6) . . ?
O10 Eu2 O13 150.91(6) . . ?
O10 Eu2 O14 108.87(6) . . ?
O10 Eu2 O16 145.79(6) . . ?
O11 Eu2 N3 59.59(6) . . ?
O11 Eu2 N4 114.51(6) . . ?
O12 Eu2 N3 111.70(6) . . ?
O12 Eu2 N4 59.50(7) . . ?
O12 Eu2 O11 60.10(6) . . ?
O12 Eu2 O13 129.18(6) . . ?
O12 Eu2 O14 107.25(6) . . ?
O13 Eu2 N3 62.07(6) . . ?
O13 Eu2 N4 119.31(6) . . ?
O13 Eu2 O11 117.00(6) . . ?
O13 Eu2 O14 59.41(6) . . ?
O14 Eu2 N3 121.35(6) . . ?
O14 Eu2 N4 61.56(6) . . ?
O14 Eu2 O11 162.14(6) . . ?
O15 Eu2 N3 98.66(7) . . ?
O15 Eu2 N4 90.82(8) . . ?
O15 Eu2 O9 67.43(6) . . ?
O15 Eu2 O10 75.32(7) . . ?
O15 Eu2 O11 133.74(6) . . ?
O15 Eu2 O12 147.20(7) . . ?
O15 Eu2 O13 75.71(7) . . ?
O15 Eu2 O14 63.88(6) . . ?
O15 Eu2 O16 131.80(7) . . ?
O16 Eu2 N3 80.49(7) . . ?
O16 Eu2 N4 91.91(7) . . ?
O16 Eu2 O11 87.46(6) . . ?
O16 Eu2 O12 67.90(6) . . ?
O16 Eu2 O13 61.30(6) . . ?
O16 Eu2 O14 75.56(7) . . ?
C21 N3 C27 111.0(2) . . ?
C21 N3 C33 110.6(2) . . ?
C21 N3 Eu2 105.24(16) . . ?
C27 N3 Eu2 112.71(15) . . ?
C33 N3 C27 108.5(2) . . ?
C33 N3 Eu2 108.63(16) . . ?
C26 N4 Eu2 110.35(17) . . ?
C32 N4 C26 111.3(3) . . ?
C32 N4 C38 109.2(2) . . ?
C32 N4 Eu2 105.65(18) . . ?
C38 N4 C26 109.0(2) . . ?
C38 N4 Eu2 111.31(17) . . ?
C22 O9 C23 111.1(2) . . ?
C22 O9 Eu2 122.05(15) . . ?
C23 O9 Eu2 116.04(16) . . ?
C24 O10 C25 110.6(2) . . ?
C24 O10 Eu2 118.20(17) . . ?
C25 O10 Eu2 115.79(17) . . ?
C28 O11 C29 114.0(2) . . ?
C28 O11 Eu2 105.59(15) . . ?
C29 O11 Eu2 114.03(16) . . ?
C30 O12 Eu2 123.07(16) . . ?
C31 O12 C30 113.4(2) . . ?
C31 O12 Eu2 123.57(18) . . ?
C34 O13 C35 111.7(2) . . ?
C34 O13 Eu2 120.27(15) . . ?
C35 O13 Eu2 117.87(16) . . ?
C36 O14 Eu2 120.00(16) . . ?
C37 O14 C36 112.2(2) . . ?
C37 O14 Eu2 121.65(16) . . ?
C39 O15 Eu2 138.9(2) . . ?
C39 O15 H15 110.0(12) . . ?
Eu2 O15 H15 111.1(12) . . ?
C40 O16 Eu2 143.38(18) . . ?
C40 O16 H16 109.6(12) . . ?
Eu2 O16 H16 106.9(12) . . ?

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
C1 C2 O1 C3 173.0(2) . . . . ?
C1 C2 O1 Eu1 -48.0(3) . . . . ?
C2 C1 N1 C7 -161.7(3) . . . . ?
C2 C1 N1 C13 76.7(3) . . . . ?
C2 C1 N1 Eu1 -43.6(3) . . . . ?
C3 C4 O2 C5 -169.8(2) . . . . ?
C3 C4 O2 Eu1 45.0(3) . . . . ?
C4 C3 O1 C2 -175.4(2) . . . . ?
C4 C3 O1 Eu1 45.7(3) . . . . ?
C5 C6 N2 C12 68.1(3) . . . . ?
C5 C6 N2 C18 -171.6(2) . . . . ?
C5 C6 N2 Eu1 -53.7(3) . . . . ?
C6 C5 O2 C4 -174.6(2) . . . . ?
C6 C5 O2 Eu1 -31.6(3) . . . . ?
C7 C8 O3 C9 -177.3(2) . . . . ?
C7 C8 O3 Eu1 -0.2(3) . . . . ?
C8 C7 N1 C1 57.3(3) . . . . ?
C8 C7 N1 C13 178.9(2) . . . . ?
C8 C7 N1 Eu1 -62.1(3) . . . . ?
C9 C10 O4 C11 68.4(3) . . . . ?
C9 C10 O4 Eu1 -55.2(3) . . . . ?
C10 C9 O3 C8 150.4(2) . . . . ?
C10 C9 O3 Eu1 -26.7(3) . . . . ?
C11 C12 N2 C6 -130.9(3) . . . . ?
C11 C12 N2 C18 107.7(3) . . . . ?
C11 C12 N2 Eu1 -13.0(3) . . . . ?
C12 C11 O4 C10 157.8(2) . . . . ?
C12 C11 O4 Eu1 -74.3(2) . . . . ?
C13 C14 O5 C15 178.1(3) . . . . ?
C13 C14 O5 Eu1 -34.0(3) . . . . ?
C14 C13 N1 C1 -170.8(2) . . . . ?
C14 C13 N1 C7 66.9(3) . . . . ?
C14 C13 N1 Eu1 -50.7(3) . . . . ?
C15 C16 O6 C17 -163.0(3) . . . . ?
C15 C16 O6 Eu1 49.3(3) . . . . ?
C16 C15 O5 C14 -171.7(3) . . . . ?
C16 C15 O5 Eu1 39.4(3) . . . . ?
C17 C18 N2 C6 68.1(3) . . . . ?
C17 C18 N2 C12 -170.7(3) . . . . ?
C17 C18 N2 Eu1 -47.9(3) . . . . ?
C18 C17 O6 C16 176.6(2) . . . . ?
C18 C17 O6 Eu1 -37.7(3) . . . . ?
N1 C1 C2 O1 61.8(3) . . . . ?
N1 C7 C8 O3 42.3(3) . . . . ?
N1 C13 C14 O5 56.8(3) . . . . ?
O1 C3 C4 O2 -58.2(3) . . . . ?
O2 C5 C6 N2 59.0(3) . . . . ?
O3 C9 C10 O4 52.0(3) . . . . ?
O4 C11 C12 N2 57.4(3) . . . . ?
O5 C15 C16 O6 -56.6(3) . . . . ?
O6 C17 C18 N2 57.6(3) . . . . ?
C21 C22 O9 C23 173.2(2) . . . . ?
C21 C22 O9 Eu2 30.4(3) . . . . ?
C22 C21 N3 C27 -65.7(3) . . . . ?
C22 C21 N3 C33 173.7(2) . . . . ?
C22 C21 N3 Eu2 56.5(3) . . . . ?
C23 C24 O10 C25 179.8(3) . . . . ?
C23 C24 O10 Eu2 -43.4(3) . . . . ?
C24 C23 O9 C22 168.6(3) . . . . ?
C24 C23 O9 Eu2 -46.1(3) . . . . ?
C25 C26 N4 C32 159.4(3) . . . . ?
C25 C26 N4 C38 -80.1(3) . . . . ?
C25 C26 N4 Eu2 42.4(3) . . . . ?
C26 C25 O10 C24 -171.1(3) . . . . ?
C26 C25 O10 Eu2 50.9(3) . . . . ?
C27 C28 O11 C29 -159.4(2) . . . . ?
C27 C28 O11 Eu2 74.7(2) . . . . ?
C28 C27 N3 C21 130.6(2) . . . . ?
C28 C27 N3 C33 -107.6(3) . . . . ?
C28 C27 N3 Eu2 12.8(3) . . . . ?
C29 C30 O12 C31 -149.6(3) . . . . ?
C29 C30 O12 Eu2 29.2(3) . . . . ?
C30 C29 O11 C28 -69.0(3) . . . . ?
C30 C29 O11 Eu2 52.4(3) . . . . ?
C31 C32 N4 C26 -57.5(4) . . . . ?
C31 C32 N4 C38 -177.9(3) . . . . ?
C31 C32 N4 Eu2 62.3(3) . . . . ?
C32 C31 O12 C30 -179.9(3) . . . . ?
C32 C31 O12 Eu2 1.3(4) . . . . ?
C33 C34 O13 C35 -175.7(2) . . . . ?
C33 C34 O13 Eu2 39.7(3) . . . . ?
C34 C33 N3 C21 -67.8(3) . . . . ?
C34 C33 N3 C27 170.1(2) . . . . ?
C34 C33 N3 Eu2 47.3(3) . . . . ?
C35 C36 O14 C37 168.7(3) . . . . ?
C35 C36 O14 Eu2 -38.3(3) . . . . ?
C36 C35 O13 C34 165.0(3) . . . . ?
C36 C35 O13 Eu2 -49.5(3) . . . . ?
C37 C38 N4 C26 172.4(3) . . . . ?
C37 C38 N4 C32 -65.9(3) . . . . ?
C37 C38 N4 Eu2 50.4(3) . . . . ?
C38 C37 O14 C36 -177.1(3) . . . . ?
C38 C37 O14 Eu2 30.5(3) . . . . ?
N3 C21 C22 O9 -60.3(3) . . . . ?
N3 C27 C28 O11 -58.1(3) . . . . ?
N3 C33 C34 O13 -59.2(3) . . . . ?
O9 C23 C24 O10 57.7(3) . . . . ?
O10 C25 C26 N4 -62.8(3) . . . . ?
O11 C29 C30 O12 -52.2(3) . . . . ?
O12 C31 C32 N4 -43.9(4) . . . . ?
O13 C35 C36 O14 55.3(3) . . . . ?
O14 C37 C38 N4 -53.5(4) . . . . ?


_olex2_submission_special_instructions 'No special instructions were received'
_oxdiff_exptl_absorpt_empirical_details 
;
Empirical correction (ABSPACK) includes:
- Absorption correction using spherical harmonics
- Frame scaling
;
_oxdiff_exptl_absorpt_empirical_full_max 1.896
_oxdiff_exptl_absorpt_empirical_full_min 0.644
