# Electronic Supplementary Material (ESI) for Dalton Transactions.
# This journal is © The Royal Society of Chemistry 2019

####################################################################### 
# 
# 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_17oot18_0ma
_database_code_depnum_ccdc_archive 'CCDC 1934772'
loop_
_audit_author_name
_audit_author_address
'Orbett T. Alexander'
;Chemistry Department, University of the Free State
South Africa
;
_audit_update_record             
;
2019-06-18 deposited with the CCDC.	2019-10-04 downloaded from the CCDC.
;
# start Validation Reply Form 
_vrf_PLAT910_I                   
;
PROBLEM: _ Missing # of FCF Reflection(s) Below Theta(Min).
RESPONSE: 19 reflections that are below Theta (min) value 
have been omitted from the refinement. The FCF reflections 
are caused by partial obscurity of the beam stop and due to 
overflow reflections which are not automatically excluded by 
the Bruker APEX II software. Sufficient unique reflections were 
obtained to yield a fully refined structure with 
98.9 % data completeness.
;
# end Validation Reply Form

_audit_creation_date             2019-05-13
_shelxl_version_number           2013-3
_chemical_name_common            ?
_chemical_name_systematic        
;
 ?
;
_chemical_formula_moiety         'C45 H65 Eu N2 O6'
_chemical_formula_sum            'C45 H65 Eu N2 O6'
_chemical_formula_weight         881.95
_chemical_melting_point          ?
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'
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'

_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      triclinic
_space_group_IT_number           2
_space_group_name_H-M_alt        'P -1'
_space_group_name_Hall           '-P 1'
loop_
_space_group_symop_operation_xyz
'x, y, z'
'-x, -y, -z'

_cell_length_a                   10.860(5)
_cell_length_b                   12.285(5)
_cell_length_c                   18.398(5)
_cell_angle_alpha                80.396(5)
_cell_angle_beta                 87.575(5)
_cell_angle_gamma                68.761(5)
_cell_volume                     2255.3(15)
_cell_formula_units_Z            2
_cell_measurement_reflns_used    9906
_cell_measurement_temperature    373(2)
_cell_measurement_theta_max      28.395
_cell_measurement_theta_min      4.160
_shelx_estimated_absorpt_T_max   ?
_shelx_estimated_absorpt_T_min   ?
_exptl_absorpt_coefficient_mu    1.436
_exptl_absorpt_correction_T_max  0.7457
_exptl_absorpt_correction_T_min  0.7044
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   
;
SADABS-2014/5 (Bruker,2014/5) was used for absorption correction.
wR2(int) was 0.0529 before and 0.0436 after correction.
The Ratio of minimum to maximum transmission is 0.9446.
The λ/2 correction factor is 0.00150.
;
_exptl_crystal_colour            colourless
_exptl_crystal_colour_primary    colourless
_exptl_crystal_density_diffrn    1.299
_exptl_crystal_density_meas      .
_exptl_crystal_density_method    ?
_exptl_crystal_description       Cuboid
_exptl_crystal_F_000             920
_exptl_crystal_size_max          0.276
_exptl_crystal_size_mid          0.162
_exptl_crystal_size_min          0.154
_exptl_special_details           
;
 ?
;
_exptl_transmission_factor_max   ?
_exptl_transmission_factor_min   ?
_diffrn_reflns_av_R_equivalents  0.0332
_diffrn_reflns_av_unetI/netI     0.0312
_diffrn_reflns_Laue_measured_fraction_full 0.990
_diffrn_reflns_Laue_measured_fraction_max 0.989
_diffrn_reflns_limit_h_max       14
_diffrn_reflns_limit_h_min       -14
_diffrn_reflns_limit_k_max       16
_diffrn_reflns_limit_k_min       -12
_diffrn_reflns_limit_l_max       24
_diffrn_reflns_limit_l_min       -24
_diffrn_reflns_number            42304
_diffrn_reflns_point_group_measured_fraction_full 0.990
_diffrn_reflns_point_group_measured_fraction_max 0.989
_diffrn_reflns_theta_full        26.000
_diffrn_reflns_theta_max         28.000
_diffrn_reflns_theta_min         3.370
_diffrn_ambient_temperature      373.15
_diffrn_detector_area_resol_mean ?
_diffrn_measured_fraction_theta_full 0.990
_diffrn_measured_fraction_theta_max 0.989
_diffrn_measurement_device_type  'Bruker APEX-II CCD'
_diffrn_measurement_method       'ω scans'
_diffrn_radiation_monochromator  graphite
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71069
_diffrn_source                   ?
_diffrn_standards_number         0
_reflns_Friedel_coverage         0.000
_reflns_Friedel_fraction_full    .
_reflns_Friedel_fraction_max     .
_reflns_number_gt                9978
_reflns_number_total             10801
_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       'SAINT v8.34A (Bruker, 2013)'
_computing_data_collection       'BRUKER APEX II'
_computing_data_reduction        'SAINT v8.34A (Bruker, 2013)'
_computing_molecular_graphics    'Olex2 (Dolomanov et al., 2009)'
_computing_publication_material  'Olex2 (Dolomanov et al., 2009)'
_computing_structure_refinement  'ShelXL (Sheldrick, 2015)'
_computing_structure_solution    'ShelXS (Sheldrick, 2008)'
_refine_diff_density_max         0.741
_refine_diff_density_min         -0.818
_refine_diff_density_rms         0.072
_refine_ls_extinction_coef       .
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.053
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     523
_refine_ls_number_reflns         10801
_refine_ls_number_restraints     61
_refine_ls_R_factor_all          0.0272
_refine_ls_R_factor_gt           0.0235
_refine_ls_restrained_S_all      1.059
_refine_ls_shift/su_max          0.005
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details     
'w=1/[σ²(Fo²)+(0.0252P)²+1.1873P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0551
_refine_ls_wR_factor_ref         0.0569
_refine_special_details          
;
 ?
;
_atom_sites_solution_hydrogens   geom
_atom_sites_solution_primary     direct
_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
Eu1 Eu 0.34405(2) 0.58687(2) 0.73007(2) 0.01426(3) Uani 1 1 d . . . . .
O1 O 0.14802(13) 0.69183(11) 0.65646(7) 0.0197(3) Uani 1 1 d . . . . .
O2 O 0.35669(13) 0.76764(12) 0.66863(8) 0.0218(3) Uani 1 1 d . . . . .
O3 O 0.22170(13) 0.47033(12) 0.77911(8) 0.0206(3) Uani 1 1 d . . . . .
O4 O 0.49146(13) 0.39328(12) 0.77183(8) 0.0221(3) Uani 1 1 d . . . . .
O5 O 0.48645(13) 0.61587(12) 0.81185(7) 0.0219(3) Uani 1 1 d . . . . .
O6 O 0.21380(13) 0.70304(12) 0.81146(7) 0.0218(3) Uani 1 1 d . . . . .
N1 N 0.55587(16) 0.53381(14) 0.64930(9) 0.0189(3) Uani 1 1 d . . . . .
N2 N 0.35246(16) 0.46552(14) 0.62429(9) 0.0189(3) Uani 1 1 d . . . . .
C1 C 0.6554(2) 0.56668(19) 0.66193(11) 0.0245(4) Uani 1 1 d . . . . .
H1 H 0.6409 0.6245 0.6914 0.029 Uiso 1 1 calc R . . . .
C2 C 0.7813(2) 0.5186(2) 0.63306(12) 0.0308(5) Uani 1 1 d . . . . .
H2 H 0.8487 0.5436 0.6437 0.037 Uiso 1 1 calc R . . . .
C3 C 0.8039(2) 0.4345(2) 0.58909(12) 0.0314(5) Uani 1 1 d . . . . .
H3 H 0.8872 0.4014 0.5698 0.038 Uiso 1 1 calc R . . . .
C4 C 0.7008(2) 0.39807(18) 0.57293(11) 0.0250(4) Uani 1 1 d . . . . .
C5 C 0.7140(2) 0.31329(19) 0.52543(12) 0.0319(5) Uani 1 1 d . . . . .
H5 H 0.7949 0.2793 0.5038 0.038 Uiso 1 1 calc R . . . .
C6 C 0.6124(2) 0.28182(19) 0.51139(12) 0.0302(5) Uani 1 1 d . . . . .
H6 H 0.6241 0.2269 0.4801 0.036 Uiso 1 1 calc R . . . .
C7 C 0.4861(2) 0.33148(17) 0.54393(11) 0.0230(4) Uani 1 1 d . . . . .
C8 C 0.3766(2) 0.30195(18) 0.53112(11) 0.0281(5) Uani 1 1 d . . . . .
H8 H 0.3839 0.2469 0.5005 0.034 Uiso 1 1 calc R . . . .
C9 C 0.2592(2) 0.35416(19) 0.56365(12) 0.0280(5) Uani 1 1 d . . . . .
H9 H 0.1856 0.3361 0.5549 0.034 Uiso 1 1 calc R . . . .
C10 C 0.2515(2) 0.43512(18) 0.61038(11) 0.0231(4) Uani 1 1 d . . . . .
H10 H 0.1716 0.4694 0.6329 0.028 Uiso 1 1 calc R . . . .
C11 C 0.46865(19) 0.41540(16) 0.59124(10) 0.0179(4) Uani 1 1 d . . . . .
C12 C 0.57761(19) 0.45051(16) 0.60540(10) 0.0186(4) Uani 1 1 d . . . . .
C13 C -0.1396(2) 0.9663(2) 0.59327(14) 0.0345(5) Uani 1 1 d . . . . .
H13A H -0.0982 0.9920 0.5501 0.052 Uiso 1 1 calc GR . . . .
H13B H -0.1377 1.0105 0.6313 0.052 Uiso 1 1 calc GR . . . .
H13C H -0.2296 0.9792 0.5815 0.052 Uiso 1 1 calc GR . . . .
C14 C -0.0726(2) 0.7648(2) 0.55954(13) 0.0327(5) Uani 1 1 d . . . . .
H14A H -0.1630 0.7747 0.5514 0.049 Uiso 1 1 calc GR . . . .
H14B H -0.0216 0.6824 0.5744 0.049 Uiso 1 1 calc GR . . . .
H14C H -0.0380 0.7942 0.5148 0.049 Uiso 1 1 calc GR . . . .
C15 C -0.1290(2) 0.7934(2) 0.68998(13) 0.0342(5) Uani 1 1 d . . . . .
H15A H -0.1284 0.8395 0.7271 0.051 Uiso 1 1 calc GR . . . .
H15B H -0.0804 0.7113 0.7078 0.051 Uiso 1 1 calc GR . . . .
H15C H -0.2186 0.8038 0.6788 0.051 Uiso 1 1 calc GR . . . .
C16 C -0.06498(19) 0.83394(18) 0.62031(11) 0.0227(4) Uani 1 1 d . . . . .
C17 C 0.08252(19) 0.80181(17) 0.63987(10) 0.0190(4) Uani 1 1 d . . . . .
C18 C 0.1343(2) 0.89074(17) 0.64088(11) 0.0225(4) Uani 1 1 d . . . . .
H18 H 0.0770 0.9690 0.6302 0.027 Uiso 1 1 calc R . . . .
C19 C 0.2673(2) 0.86952(17) 0.65695(10) 0.0203(4) Uani 1 1 d . . . . .
C20 C 0.3153(2) 0.97226(18) 0.66095(11) 0.0258(4) Uani 1 1 d . . . . .
C21 C 0.4108(3) 0.9762(2) 0.59797(14) 0.0406(6) Uani 1 1 d . . . . .
H21A H 0.4806 0.9002 0.6008 0.061 Uiso 1 1 calc GR . . . .
H21B H 0.4477 1.0352 0.6019 0.061 Uiso 1 1 calc GR . . . .
H21C H 0.3642 0.9955 0.5516 0.061 Uiso 1 1 calc GR . . . .
C22 C 0.3891(3) 0.9440(2) 0.73511(14) 0.0391(6) Uani 1 1 d . . . . .
H22A H 0.3304 0.9370 0.7746 0.059 Uiso 1 1 calc GR . . . .
H22B H 0.4201 1.0066 0.7397 0.059 Uiso 1 1 calc GR . . . .
H22C H 0.4630 0.8709 0.7374 0.059 Uiso 1 1 calc GR . . . .
C23 C 0.2031(3) 1.0926(2) 0.65704(14) 0.0385(6) Uani 1 1 d . . . . .
H23A H 0.1599 1.1145 0.6095 0.058 Uiso 1 1 calc GR . . . .
H23B H 0.2385 1.1511 0.6645 0.058 Uiso 1 1 calc GR . . . .
H23C H 0.1404 1.0877 0.6947 0.058 Uiso 1 1 calc GR . . . .
C24 C 0.0185(2) 0.3810(2) 0.77143(14) 0.0375(6) Uani 1 1 d . . . . .
H24A H -0.0627 0.3722 0.7884 0.056 Uiso 1 1 calc GR . . . .
H24B H 0.0526 0.3350 0.7328 0.056 Uiso 1 1 calc GR . . . .
H24C H 0.0025 0.4629 0.7529 0.056 Uiso 1 1 calc GR . . . .
C25 C 0.0628(2) 0.4107(2) 0.89687(13) 0.0344(5) Uani 1 1 d . . . . .
H25A H 0.0438 0.4930 0.8781 0.052 Uiso 1 1 calc GR . . . .
H25B H 0.1262 0.3856 0.9368 0.052 Uiso 1 1 calc GR . . . .
H25C H -0.0169 0.3994 0.9143 0.052 Uiso 1 1 calc GR . . . .
C26 C 0.1450(3) 0.2071(2) 0.86473(16) 0.0411(6) Uani 1 1 d . . . . .
H26A H 0.0629 0.1974 0.8785 0.062 Uiso 1 1 calc GR . . . .
H26B H 0.2034 0.1814 0.9070 0.062 Uiso 1 1 calc GR . . . .
H26C H 0.1848 0.1607 0.8270 0.062 Uiso 1 1 calc GR . . . .
C27 C 0.1192(2) 0.33780(19) 0.83544(12) 0.0248(4) Uani 1 1 d . . . . .
C28 C 0.24326(19) 0.36350(17) 0.80789(10) 0.0188(4) Uani 1 1 d . . . . .
C29 C 0.3682(2) 0.27453(18) 0.81615(12) 0.0241(4) Uani 1 1 d . . . . .
H29 H 0.3734 0.1976 0.8344 0.029 Uiso 1 1 calc R . . . .
C30 C 0.48635(19) 0.29382(17) 0.79870(10) 0.0194(4) Uani 1 1 d . . . . .
C31 C 0.6210(2) 0.19108(18) 0.81113(12) 0.0253(4) Uani 1 1 d . U . . .
C32 C 0.6177(3) 0.0881(3) 0.8681(2) 0.0717(11) Uani 1 1 d . U . . .
H32A H 0.5907 0.1146 0.9145 0.108 Uiso 1 1 calc GR . . . .
H32B H 0.7041 0.0275 0.8738 0.108 Uiso 1 1 calc GR . . . .
H32C H 0.5560 0.0567 0.8523 0.108 Uiso 1 1 calc GR . . . .
C33 C 0.6585(4) 0.1474(3) 0.73888(18) 0.0788(12) Uani 1 1 d . U . . .
H33A H 0.5890 0.1265 0.7217 0.118 Uiso 1 1 calc GR . . . .
H33B H 0.7386 0.0790 0.7454 0.118 Uiso 1 1 calc GR . . . .
H33C H 0.6719 0.2086 0.7033 0.118 Uiso 1 1 calc GR . . . .
C35 C 0.7023(3) 0.6654(4) 0.84722(18) 0.0745(12) Uani 1 1 d . U . . .
H35A H 0.7224 0.6024 0.8188 0.112 Uiso 1 1 calc GR . . . .
H35B H 0.7818 0.6612 0.8705 0.112 Uiso 1 1 calc GR . . . .
H35C H 0.6654 0.7401 0.8153 0.112 Uiso 1 1 calc GR . . . .
C38 C 0.6041(2) 0.6534(2) 0.90536(12) 0.0282(5) Uani 1 1 d D U . . .
C39 C 0.47385(19) 0.66416(17) 0.86882(10) 0.0195(4) Uani 1 1 d . . . . .
C40 C 0.35197(19) 0.72365(18) 0.89919(11) 0.0218(4) Uani 1 1 d . . . . .
H40 H 0.3531 0.7533 0.9424 0.026 Uiso 1 1 calc R . . . .
C41 C 0.22899(19) 0.74127(16) 0.86889(10) 0.0180(4) Uani 1 1 d . . . . .
C42 C 0.09965(19) 0.81500(17) 0.90245(11) 0.0218(4) Uani 1 1 d . . . . .
C43 C 0.0040(2) 0.7482(2) 0.90749(13) 0.0322(5) Uani 1 1 d . . . . .
H43A H -0.0052 0.7289 0.8600 0.048 Uiso 1 1 calc GR . . . .
H43B H -0.0807 0.7970 0.9229 0.048 Uiso 1 1 calc GR . . . .
H43C H 0.0379 0.6767 0.9426 0.048 Uiso 1 1 calc GR . . . .
C44 C 0.0424(2) 0.9317(2) 0.84890(14) 0.0357(5) Uani 1 1 d . . . . .
H44A H 0.1010 0.9748 0.8469 0.054 Uiso 1 1 calc GR . . . .
H44B H -0.0424 0.9781 0.8656 0.054 Uiso 1 1 calc GR . . . .
H44C H 0.0328 0.9153 0.8007 0.054 Uiso 1 1 calc GR . . . .
C45 C 0.1174(2) 0.8408(2) 0.97876(13) 0.0379(6) Uani 1 1 d . . . . .
H45A H 0.1585 0.7676 1.0115 0.057 Uiso 1 1 calc GR . . . .
H45B H 0.0327 0.8834 0.9973 0.057 Uiso 1 1 calc GR . . . .
H45C H 0.1722 0.8875 0.9755 0.057 Uiso 1 1 calc GR . . . .
C34A C 0.7103(6) 0.2361(6) 0.8495(4) 0.0507(17) Uani 0.6 1 d . U P A 1
H34A H 0.7145 0.3068 0.8200 0.076 Uiso 0.6 1 calc GR . P A 1
H34B H 0.7974 0.1767 0.8559 0.076 Uiso 0.6 1 calc GR . P A 1
H34C H 0.6752 0.2530 0.8968 0.076 Uiso 0.6 1 calc GR . P A 1
C36A C 0.6431(14) 0.5436(9) 0.9672(6) 0.060(2) Uani 0.4 1 d D U P B 1
H36A H 0.5856 0.5611 1.0082 0.090 Uiso 0.4 1 calc GR . P B 1
H36B H 0.7328 0.5240 0.9830 0.090 Uiso 0.4 1 calc GR . P B 1
H36C H 0.6350 0.4779 0.9486 0.090 Uiso 0.4 1 calc GR . P B 1
C37A C 0.5887(7) 0.7641(6) 0.9413(4) 0.061(2) Uani 0.6 1 d . U P B 1
H37A H 0.5328 0.7661 0.9833 0.092 Uiso 0.6 1 calc GR . P B 1
H37B H 0.5499 0.8346 0.9059 0.092 Uiso 0.6 1 calc GR . P B 1
H37C H 0.6740 0.7595 0.9567 0.092 Uiso 0.6 1 calc GR . P B 1
C34 C 0.7340(9) 0.2398(9) 0.8099(6) 0.047(2) Uani 0.4 1 d . U P A 2
H34D H 0.7328 0.2888 0.7633 0.071 Uiso 0.4 1 calc GR . P A 2
H34E H 0.8172 0.1751 0.8170 0.071 Uiso 0.4 1 calc GR . P A 2
H34F H 0.7221 0.2859 0.8488 0.071 Uiso 0.4 1 calc GR . P A 2
C36 C 0.6703(8) 0.5231(6) 0.9393(4) 0.060(2) Uani 0.6 1 d . U P B 2
H36D H 0.6846 0.4748 0.9015 0.090 Uiso 0.6 1 calc GR . P B 2
H36E H 0.6143 0.5015 0.9762 0.090 Uiso 0.6 1 calc GR . P B 2
H36F H 0.7535 0.5112 0.9616 0.090 Uiso 0.6 1 calc GR . P B 2
C37 C 0.5835(11) 0.7140(9) 0.9735(7) 0.061(2) Uani 0.4 1 d . U P B 2
H37D H 0.6674 0.7092 0.9914 0.092 Uiso 0.4 1 calc GR . P B 2
H37E H 0.5427 0.6753 1.0112 0.092 Uiso 0.4 1 calc GR . P B 2
H37F H 0.5275 0.7956 0.9606 0.092 Uiso 0.4 1 calc GR . P B 2


_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 O1 2.3876(15) . ?
Eu1 O2 2.3662(15) . ?
Eu1 O3 2.3399(15) . ?
Eu1 O4 2.3548(15) . ?
Eu1 O5 2.3576(14) . ?
Eu1 O6 2.3134(14) . ?
Eu1 N1 2.6215(18) . ?
Eu1 N2 2.6215(17) . ?
O1 C17 1.269(2) . ?
O2 C19 1.266(2) . ?
O3 C28 1.270(2) . ?
O4 C30 1.259(2) . ?
O5 C39 1.267(2) . ?
O6 C41 1.265(2) . ?
N1 C1 1.324(3) . ?
N1 C12 1.356(2) . ?
N2 C10 1.326(3) . ?
N2 C11 1.356(2) . ?
C1 H1 0.9300 . ?
C1 C2 1.400(3) . ?
C2 H2 0.9300 . ?
C2 C3 1.364(3) . ?
C3 H3 0.9300 . ?
C3 C4 1.406(3) . ?
C4 C5 1.433(3) . ?
C4 C12 1.414(3) . ?
C5 H5 0.9300 . ?
C5 C6 1.341(4) . ?
C6 H6 0.9300 . ?
C6 C7 1.435(3) . ?
C7 C8 1.402(3) . ?
C7 C11 1.414(3) . ?
C8 H8 0.9300 . ?
C8 C9 1.366(3) . ?
C9 H9 0.9300 . ?
C9 C10 1.398(3) . ?
C10 H10 0.9300 . ?
C11 C12 1.445(3) . ?
C13 H13A 0.9600 . ?
C13 H13B 0.9600 . ?
C13 H13C 0.9600 . ?
C13 C16 1.536(3) . ?
C14 H14A 0.9600 . ?
C14 H14B 0.9600 . ?
C14 H14C 0.9600 . ?
C14 C16 1.534(3) . ?
C15 H15A 0.9600 . ?
C15 H15B 0.9600 . ?
C15 H15C 0.9600 . ?
C15 C16 1.529(3) . ?
C16 C17 1.547(3) . ?
C17 C18 1.401(3) . ?
C18 H18 0.9300 . ?
C18 C19 1.406(3) . ?
C19 C20 1.543(3) . ?
C20 C21 1.529(3) . ?
C20 C22 1.536(3) . ?
C20 C23 1.530(3) . ?
C21 H21A 0.9600 . ?
C21 H21B 0.9600 . ?
C21 H21C 0.9600 . ?
C22 H22A 0.9600 . ?
C22 H22B 0.9600 . ?
C22 H22C 0.9600 . ?
C23 H23A 0.9600 . ?
C23 H23B 0.9600 . ?
C23 H23C 0.9600 . ?
C24 H24A 0.9600 . ?
C24 H24B 0.9600 . ?
C24 H24C 0.9600 . ?
C24 C27 1.531(3) . ?
C25 H25A 0.9600 . ?
C25 H25B 0.9600 . ?
C25 H25C 0.9600 . ?
C25 C27 1.529(3) . ?
C26 H26A 0.9600 . ?
C26 H26B 0.9600 . ?
C26 H26C 0.9600 . ?
C26 C27 1.531(3) . ?
C27 C28 1.539(3) . ?
C28 C29 1.395(3) . ?
C29 H29 0.9300 . ?
C29 C30 1.402(3) . ?
C30 C31 1.542(3) . ?
C31 C32 1.513(4) . ?
C31 C33 1.502(4) . ?
C31 C34A 1.523(6) . ?
C31 C34 1.546(9) . ?
C32 H32A 0.9600 . ?
C32 H32B 0.9600 . ?
C32 H32C 0.9600 . ?
C33 H33A 0.9600 . ?
C33 H33B 0.9600 . ?
C33 H33C 0.9600 . ?
C35 H35A 0.9600 . ?
C35 H35B 0.9600 . ?
C35 H35C 0.9600 . ?
C35 C38 1.506(4) . ?
C38 C39 1.544(3) . ?
C38 C36A 1.551(4) . ?
C38 C37A 1.562(7) . ?
C38 C36 1.530(7) . ?
C38 C37 1.531(11) . ?
C39 C40 1.404(3) . ?
C40 H40 0.9300 . ?
C40 C41 1.398(3) . ?
C41 C42 1.538(3) . ?
C42 C43 1.532(3) . ?
C42 C44 1.532(3) . ?
C42 C45 1.524(3) . ?
C43 H43A 0.9600 . ?
C43 H43B 0.9600 . ?
C43 H43C 0.9600 . ?
C44 H44A 0.9600 . ?
C44 H44B 0.9600 . ?
C44 H44C 0.9600 . ?
C45 H45A 0.9600 . ?
C45 H45B 0.9600 . ?
C45 H45C 0.9600 . ?
C34A H34A 0.9600 . ?
C34A H34B 0.9600 . ?
C34A H34C 0.9600 . ?
C36A H36A 0.9600 . ?
C36A H36B 0.9600 . ?
C36A H36C 0.9600 . ?
C37A H37A 0.9600 . ?
C37A H37B 0.9600 . ?
C37A H37C 0.9600 . ?
C34 H34D 0.9600 . ?
C34 H34E 0.9600 . ?
C34 H34F 0.9600 . ?
C36 H36D 0.9600 . ?
C36 H36E 0.9600 . ?
C36 H36F 0.9600 . ?
C37 H37D 0.9600 . ?
C37 H37E 0.9600 . ?
C37 H37F 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
O1 Eu1 N1 111.74(6) . . ?
O1 Eu1 N2 73.30(5) . . ?
O2 Eu1 O1 71.39(5) . . ?
O2 Eu1 N1 72.94(5) . . ?
O2 Eu1 N2 104.51(5) . . ?
O3 Eu1 O1 82.22(5) . . ?
O3 Eu1 O2 151.14(5) . . ?
O3 Eu1 O4 71.35(6) . . ?
O3 Eu1 O5 117.09(5) . . ?
O3 Eu1 N1 129.67(5) . . ?
O3 Eu1 N2 77.95(5) . . ?
O4 Eu1 O1 141.36(5) . . ?
O4 Eu1 O2 137.37(5) . . ?
O4 Eu1 O5 76.89(5) . . ?
O4 Eu1 N1 69.01(5) . . ?
O4 Eu1 N2 73.96(5) . . ?
O5 Eu1 O1 141.48(5) . . ?
O5 Eu1 O2 79.78(5) . . ?
O5 Eu1 N1 82.39(6) . . ?
O5 Eu1 N2 140.27(5) . . ?
O6 Eu1 O1 79.48(5) . . ?
O6 Eu1 O2 83.94(5) . . ?
O6 Eu1 O3 79.86(6) . . ?
O6 Eu1 O4 121.15(5) . . ?
O6 Eu1 O5 72.43(5) . . ?
O6 Eu1 N1 148.45(5) . . ?
O6 Eu1 N2 146.78(5) . . ?
N2 Eu1 N1 62.29(5) . . ?
C17 O1 Eu1 131.15(12) . . ?
C19 O2 Eu1 129.36(13) . . ?
C28 O3 Eu1 138.06(12) . . ?
C30 O4 Eu1 138.33(12) . . ?
C39 O5 Eu1 136.38(12) . . ?
C41 O6 Eu1 138.14(12) . . ?
C1 N1 Eu1 121.01(13) . . ?
C1 N1 C12 117.90(17) . . ?
C12 N1 Eu1 119.48(12) . . ?
C10 N2 Eu1 121.34(13) . . ?
C10 N2 C11 118.04(17) . . ?
C11 N2 Eu1 119.67(12) . . ?
N1 C1 H1 118.4 . . ?
N1 C1 C2 123.2(2) . . ?
C2 C1 H1 118.4 . . ?
C1 C2 H2 120.4 . . ?
C3 C2 C1 119.1(2) . . ?
C3 C2 H2 120.4 . . ?
C2 C3 H3 120.1 . . ?
C2 C3 C4 119.9(2) . . ?
C4 C3 H3 120.1 . . ?
C3 C4 C5 123.8(2) . . ?
C3 C4 C12 116.9(2) . . ?
C12 C4 C5 119.3(2) . . ?
C4 C5 H5 119.2 . . ?
C6 C5 C4 121.6(2) . . ?
C6 C5 H5 119.2 . . ?
C5 C6 H6 119.5 . . ?
C5 C6 C7 121.1(2) . . ?
C7 C6 H6 119.5 . . ?
C8 C7 C6 123.47(19) . . ?
C8 C7 C11 117.23(19) . . ?
C11 C7 C6 119.3(2) . . ?
C7 C8 H8 120.0 . . ?
C9 C8 C7 119.91(19) . . ?
C9 C8 H8 120.0 . . ?
C8 C9 H9 120.6 . . ?
C8 C9 C10 118.9(2) . . ?
C10 C9 H9 120.6 . . ?
N2 C10 C9 123.3(2) . . ?
N2 C10 H10 118.3 . . ?
C9 C10 H10 118.3 . . ?
N2 C11 C7 122.59(18) . . ?
N2 C11 C12 117.86(17) . . ?
C7 C11 C12 119.55(18) . . ?
N1 C12 C4 122.97(18) . . ?
N1 C12 C11 117.82(17) . . ?
C4 C12 C11 119.21(18) . . ?
H13A C13 H13B 109.5 . . ?
H13A C13 H13C 109.5 . . ?
H13B C13 H13C 109.5 . . ?
C16 C13 H13A 109.5 . . ?
C16 C13 H13B 109.5 . . ?
C16 C13 H13C 109.5 . . ?
H14A C14 H14B 109.5 . . ?
H14A C14 H14C 109.5 . . ?
H14B C14 H14C 109.5 . . ?
C16 C14 H14A 109.5 . . ?
C16 C14 H14B 109.5 . . ?
C16 C14 H14C 109.5 . . ?
H15A C15 H15B 109.5 . . ?
H15A C15 H15C 109.5 . . ?
H15B C15 H15C 109.5 . . ?
C16 C15 H15A 109.5 . . ?
C16 C15 H15B 109.5 . . ?
C16 C15 H15C 109.5 . . ?
C13 C16 C17 114.24(17) . . ?
C14 C16 C13 108.56(18) . . ?
C14 C16 C17 108.05(16) . . ?
C15 C16 C13 109.60(18) . . ?
C15 C16 C14 109.52(19) . . ?
C15 C16 C17 106.81(16) . . ?
O1 C17 C16 114.93(17) . . ?
O1 C17 C18 124.41(18) . . ?
C18 C17 C16 120.62(17) . . ?
C17 C18 H18 117.8 . . ?
C17 C18 C19 124.38(18) . . ?
C19 C18 H18 117.8 . . ?
O2 C19 C18 124.15(18) . . ?
O2 C19 C20 114.59(18) . . ?
C18 C19 C20 121.26(18) . . ?
C21 C20 C19 108.12(17) . . ?
C21 C20 C22 109.5(2) . . ?
C21 C20 C23 110.13(19) . . ?
C22 C20 C19 107.13(17) . . ?
C23 C20 C19 113.62(19) . . ?
C23 C20 C22 108.29(19) . . ?
C20 C21 H21A 109.5 . . ?
C20 C21 H21B 109.5 . . ?
C20 C21 H21C 109.5 . . ?
H21A C21 H21B 109.5 . . ?
H21A C21 H21C 109.5 . . ?
H21B C21 H21C 109.5 . . ?
C20 C22 H22A 109.5 . . ?
C20 C22 H22B 109.5 . . ?
C20 C22 H22C 109.5 . . ?
H22A C22 H22B 109.5 . . ?
H22A C22 H22C 109.5 . . ?
H22B C22 H22C 109.5 . . ?
C20 C23 H23A 109.5 . . ?
C20 C23 H23B 109.5 . . ?
C20 C23 H23C 109.5 . . ?
H23A C23 H23B 109.5 . . ?
H23A C23 H23C 109.5 . . ?
H23B C23 H23C 109.5 . . ?
H24A C24 H24B 109.5 . . ?
H24A C24 H24C 109.5 . . ?
H24B C24 H24C 109.5 . . ?
C27 C24 H24A 109.5 . . ?
C27 C24 H24B 109.5 . . ?
C27 C24 H24C 109.5 . . ?
H25A C25 H25B 109.5 . . ?
H25A C25 H25C 109.5 . . ?
H25B C25 H25C 109.5 . . ?
C27 C25 H25A 109.5 . . ?
C27 C25 H25B 109.5 . . ?
C27 C25 H25C 109.5 . . ?
H26A C26 H26B 109.5 . . ?
H26A C26 H26C 109.5 . . ?
H26B C26 H26C 109.5 . . ?
C27 C26 H26A 109.5 . . ?
C27 C26 H26B 109.5 . . ?
C27 C26 H26C 109.5 . . ?
C24 C27 C26 109.41(19) . . ?
C24 C27 C28 107.92(17) . . ?
C25 C27 C24 108.87(19) . . ?
C25 C27 C26 109.38(19) . . ?
C25 C27 C28 106.95(17) . . ?
C26 C27 C28 114.18(18) . . ?
O3 C28 C27 114.70(17) . . ?
O3 C28 C29 124.23(18) . . ?
C29 C28 C27 121.05(18) . . ?
C28 C29 H29 118.0 . . ?
C28 C29 C30 124.08(19) . . ?
C30 C29 H29 118.0 . . ?
O4 C30 C29 123.70(18) . . ?
O4 C30 C31 115.35(17) . . ?
C29 C30 C31 120.96(18) . . ?
C30 C31 C34 110.3(4) . . ?
C32 C31 C30 113.35(19) . . ?
C32 C31 C34A 101.4(3) . . ?
C32 C31 C34 121.8(4) . . ?
C33 C31 C30 107.06(19) . . ?
C33 C31 C32 108.0(3) . . ?
C33 C31 C34A 120.9(3) . . ?
C33 C31 C34 93.6(4) . . ?
C34A C31 C30 106.2(3) . . ?
C31 C32 H32A 109.5 . . ?
C31 C32 H32B 109.5 . . ?
C31 C32 H32C 109.5 . . ?
H32A C32 H32B 109.5 . . ?
H32A C32 H32C 109.5 . . ?
H32B C32 H32C 109.5 . . ?
C31 C33 H33A 109.5 . . ?
C31 C33 H33B 109.5 . . ?
C31 C33 H33C 109.5 . . ?
H33A C33 H33B 109.5 . . ?
H33A C33 H33C 109.5 . . ?
H33B C33 H33C 109.5 . . ?
H35A C35 H35B 109.5 . . ?
H35A C35 H35C 109.5 . . ?
H35B C35 H35C 109.5 . . ?
C38 C35 H35A 109.5 . . ?
C38 C35 H35B 109.5 . . ?
C38 C35 H35C 109.5 . . ?
C35 C38 C39 110.15(19) . . ?
C35 C38 C36A 119.8(5) . . ?
C35 C38 C37A 98.7(3) . . ?
C35 C38 C36 100.5(3) . . ?
C35 C38 C37 122.2(5) . . ?
C39 C38 C36A 107.9(7) . . ?
C39 C38 C37A 112.1(3) . . ?
C36A C38 C37A 108.0(7) . . ?
C36 C38 C39 106.2(4) . . ?
C36 C38 C37 101.6(6) . . ?
C37 C38 C39 113.6(4) . . ?
O5 C39 C38 115.59(17) . . ?
O5 C39 C40 124.23(18) . . ?
C40 C39 C38 120.17(17) . . ?
C39 C40 H40 117.8 . . ?
C41 C40 C39 124.40(18) . . ?
C41 C40 H40 117.8 . . ?
O6 C41 C40 124.08(17) . . ?
O6 C41 C42 114.61(17) . . ?
C40 C41 C42 121.26(17) . . ?
C43 C42 C41 108.47(16) . . ?
C44 C42 C41 106.54(16) . . ?
C44 C42 C43 109.39(19) . . ?
C45 C42 C41 113.93(17) . . ?
C45 C42 C43 108.86(18) . . ?
C45 C42 C44 109.56(19) . . ?
C42 C43 H43A 109.5 . . ?
C42 C43 H43B 109.5 . . ?
C42 C43 H43C 109.5 . . ?
H43A C43 H43B 109.5 . . ?
H43A C43 H43C 109.5 . . ?
H43B C43 H43C 109.5 . . ?
C42 C44 H44A 109.5 . . ?
C42 C44 H44B 109.5 . . ?
C42 C44 H44C 109.5 . . ?
H44A C44 H44B 109.5 . . ?
H44A C44 H44C 109.5 . . ?
H44B C44 H44C 109.5 . . ?
C42 C45 H45A 109.5 . . ?
C42 C45 H45B 109.5 . . ?
C42 C45 H45C 109.5 . . ?
H45A C45 H45B 109.5 . . ?
H45A C45 H45C 109.5 . . ?
H45B C45 H45C 109.5 . . ?
C31 C34A H34A 109.5 . . ?
C31 C34A H34B 109.5 . . ?
C31 C34A H34C 109.5 . . ?
H34A C34A H34B 109.5 . . ?
H34A C34A H34C 109.5 . . ?
H34B C34A H34C 109.5 . . ?
C38 C36A H36A 109.5 . . ?
C38 C36A H36B 109.5 . . ?
C38 C36A H36C 109.5 . . ?
H36A C36A H36B 109.5 . . ?
H36A C36A H36C 109.5 . . ?
H36B C36A H36C 109.5 . . ?
C38 C37A H37A 109.5 . . ?
C38 C37A H37B 109.5 . . ?
C38 C37A H37C 109.5 . . ?
H37A C37A H37B 109.5 . . ?
H37A C37A H37C 109.5 . . ?
H37B C37A H37C 109.5 . . ?
C31 C34 H34D 109.5 . . ?
C31 C34 H34E 109.5 . . ?
C31 C34 H34F 109.5 . . ?
H34D C34 H34E 109.5 . . ?
H34D C34 H34F 109.5 . . ?
H34E C34 H34F 109.5 . . ?
C38 C36 H36D 109.5 . . ?
C38 C36 H36E 109.5 . . ?
C38 C36 H36F 109.5 . . ?
H36D C36 H36E 109.5 . . ?
H36D C36 H36F 109.5 . . ?
H36E C36 H36F 109.5 . . ?
C38 C37 H37D 109.5 . . ?
C38 C37 H37E 109.5 . . ?
C38 C37 H37F 109.5 . . ?
H37D C37 H37E 109.5 . . ?
H37D C37 H37F 109.5 . . ?
H37E C37 H37F 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
Eu1 O1 C17 C16 -155.01(12) . . . . ?
Eu1 O1 C17 C18 22.8(3) . . . . ?
Eu1 O2 C19 C18 -36.6(3) . . . . ?
Eu1 O2 C19 C20 143.93(14) . . . . ?
Eu1 O3 C28 C27 176.39(13) . . . . ?
Eu1 O3 C28 C29 -2.4(3) . . . . ?
Eu1 O4 C30 C29 -3.9(3) . . . . ?
Eu1 O4 C30 C31 175.62(13) . . . . ?
Eu1 O5 C39 C38 177.11(13) . . . . ?
Eu1 O5 C39 C40 -2.4(3) . . . . ?
Eu1 O6 C41 C40 4.6(3) . . . . ?
Eu1 O6 C41 C42 -177.91(13) . . . . ?
Eu1 N1 C1 C2 164.55(16) . . . . ?
Eu1 N1 C12 C4 -165.70(14) . . . . ?
Eu1 N1 C12 C11 14.8(2) . . . . ?
Eu1 N2 C10 C9 -168.70(15) . . . . ?
Eu1 N2 C11 C7 168.02(14) . . . . ?
Eu1 N2 C11 C12 -12.2(2) . . . . ?
O1 C17 C18 C19 3.2(3) . . . . ?
O2 C19 C20 C21 65.2(2) . . . . ?
O2 C19 C20 C22 -52.7(2) . . . . ?
O2 C19 C20 C23 -172.22(18) . . . . ?
O3 C28 C29 C30 4.9(3) . . . . ?
O4 C30 C31 C32 157.8(2) . . . . ?
O4 C30 C31 C33 -83.3(3) . . . . ?
O4 C30 C31 C34A 47.3(4) . . . . ?
O4 C30 C31 C34 17.3(5) . . . . ?
O5 C39 C40 C41 -2.7(3) . . . . ?
O6 C41 C42 C43 47.7(2) . . . . ?
O6 C41 C42 C44 -69.9(2) . . . . ?
O6 C41 C42 C45 169.14(19) . . . . ?
N1 C1 C2 C3 0.7(3) . . . . ?
N2 C11 C12 N1 -1.7(3) . . . . ?
N2 C11 C12 C4 178.73(17) . . . . ?
C1 N1 C12 C4 0.0(3) . . . . ?
C1 N1 C12 C11 -179.54(17) . . . . ?
C1 C2 C3 C4 0.5(3) . . . . ?
C2 C3 C4 C5 177.9(2) . . . . ?
C2 C3 C4 C12 -1.3(3) . . . . ?
C3 C4 C5 C6 -179.6(2) . . . . ?
C3 C4 C12 N1 1.1(3) . . . . ?
C3 C4 C12 C11 -179.40(18) . . . . ?
C4 C5 C6 C7 -0.4(3) . . . . ?
C5 C4 C12 N1 -178.12(18) . . . . ?
C5 C4 C12 C11 1.4(3) . . . . ?
C5 C6 C7 C8 179.9(2) . . . . ?
C5 C6 C7 C11 0.3(3) . . . . ?
C6 C7 C8 C9 -179.32(19) . . . . ?
C6 C7 C11 N2 -179.59(18) . . . . ?
C6 C7 C11 C12 0.6(3) . . . . ?
C7 C8 C9 C10 -1.1(3) . . . . ?
C7 C11 C12 N1 178.07(17) . . . . ?
C7 C11 C12 C4 -1.5(3) . . . . ?
C8 C7 C11 N2 0.8(3) . . . . ?
C8 C7 C11 C12 -179.00(17) . . . . ?
C8 C9 C10 N2 0.9(3) . . . . ?
C10 N2 C11 C7 -1.0(3) . . . . ?
C10 N2 C11 C12 178.81(17) . . . . ?
C11 N2 C10 C9 0.1(3) . . . . ?
C11 C7 C8 C9 0.3(3) . . . . ?
C12 N1 C1 C2 -0.9(3) . . . . ?
C12 C4 C5 C6 -0.5(3) . . . . ?
C13 C16 C17 O1 -174.48(17) . . . . ?
C13 C16 C17 C18 7.6(3) . . . . ?
C14 C16 C17 O1 -53.6(2) . . . . ?
C14 C16 C17 C18 128.5(2) . . . . ?
C15 C16 C17 O1 64.2(2) . . . . ?
C15 C16 C17 C18 -113.8(2) . . . . ?
C16 C17 C18 C19 -179.02(18) . . . . ?
C17 C18 C19 O2 3.8(3) . . . . ?
C17 C18 C19 C20 -176.76(18) . . . . ?
C18 C19 C20 C21 -114.3(2) . . . . ?
C18 C19 C20 C22 127.8(2) . . . . ?
C18 C19 C20 C23 8.3(3) . . . . ?
C24 C27 C28 O3 53.8(2) . . . . ?
C24 C27 C28 C29 -127.3(2) . . . . ?
C25 C27 C28 O3 -63.2(2) . . . . ?
C25 C27 C28 C29 115.7(2) . . . . ?
C26 C27 C28 O3 175.69(19) . . . . ?
C26 C27 C28 C29 -5.5(3) . . . . ?
C27 C28 C29 C30 -173.82(19) . . . . ?
C28 C29 C30 O4 -2.0(3) . . . . ?
C28 C29 C30 C31 178.55(19) . . . . ?
C29 C30 C31 C32 -22.7(3) . . . . ?
C29 C30 C31 C33 96.3(3) . . . . ?
C29 C30 C31 C34A -133.2(3) . . . . ?
C29 C30 C31 C34 -163.2(4) . . . . ?
C35 C38 C39 O5 38.3(3) . . . . ?
C35 C38 C39 C40 -142.2(3) . . . . ?
C38 C39 C40 C41 177.88(19) . . . . ?
C39 C40 C41 O6 1.7(3) . . . . ?
C39 C40 C41 C42 -175.64(18) . . . . ?
C40 C41 C42 C43 -134.7(2) . . . . ?
C40 C41 C42 C44 107.7(2) . . . . ?
C40 C41 C42 C45 -13.3(3) . . . . ?
C36A C38 C39 O5 -94.1(6) . . . . ?
C36A C38 C39 C40 85.4(6) . . . . ?
C37A C38 C39 O5 147.1(3) . . . . ?
C37A C38 C39 C40 -33.4(4) . . . . ?
C36 C38 C39 O5 -69.7(3) . . . . ?
C36 C38 C39 C40 109.8(3) . . . . ?
C37 C38 C39 O5 179.5(5) . . . . ?
C37 C38 C39 C40 -1.0(5) . . . . ?

_exptl_crystal_preparation       Luminescent
####################################################################### 
# 
# 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_17oot4_0m
_database_code_depnum_ccdc_archive 'CCDC 1934778'
loop_
_audit_author_name
_audit_author_address
'Orbett Alexander'
;Chemistry Department, University of the Free State
South Africa
;
_audit_update_record             
;
2019-06-18 deposited with the CCDC.	2019-10-04 downloaded from the CCDC.
;
# start Validation Reply Form
_vrf_PLAT910_17oot4_0m           
;
PROBLEM: Missing # of FCF Reflection(s) Below Theta(Min).         23 Note
RESPONSE: 23 reflections that are below Theta (min) value  have been omitted from the refinement. The FCF reflections  are caused by partial obscurity of the beam stop and due to  overflow reflections which are not automatically excluded by  the Bruker APEX II software. Sufficient unique reflections were  obtained to yield a fully refined structure with  99.5 % data completeness.
;
# Added during the CSD deposition process: Tuesday 18 June 2019 11:31 AM
# end Validation Reply Form

# start Validation Reply Form 
_vrf_PLAT910_I                   
;
PROBLEM: _ Missing # of FCF Reflection(s) Below Theta(Min).
RESPONSE: 23 reflections that are below Theta (min) value 
have been omitted from the refinement. The FCF reflections 
are caused by partial obscurity of the beam stop and due to 
overflow reflections which are not automatically excluded by 
the Bruker APEX II software. Sufficient unique reflections were 
obtained to yield a fully refined structure with 
99.5 % data completeness.
;
# end Validation Reply Form

_audit_creation_method           SHELXL-2013
_shelxl_version_number           2013-3

_chemical_name_common            ?
_chemical_melting_point          ?
_chemical_formula_moiety         'C66 H46 Eu2 N4 O12'
_chemical_formula_sum            'C66 H46 Eu2 N4 O12'
_chemical_formula_weight         1390.99

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'
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'

_space_group_crystal_system      triclinic
_space_group_IT_number           2
_space_group_name_H-M_alt        'P -1'
_space_group_name_Hall           '-P 1'

_shelx_space_group_comment       
;
The symmetry employed for this shelxl refinement is uniquely defined
by the following loop, which should always be used as a source of
symmetry information in preference to the above space-group names.
They are only intended as comments.
;

loop_
_space_group_symop_operation_xyz
'x, y, z'
'-x, -y, -z'

_cell_length_a                   10.761(5)
_cell_length_b                   11.865(5)
_cell_length_c                   12.275(5)
_cell_angle_alpha                105.044(5)
_cell_angle_beta                 93.811(5)
_cell_angle_gamma                112.908(5)
_cell_volume                     1369.2(10)
_cell_formula_units_Z            1
_cell_measurement_temperature    373(2)
_cell_measurement_reflns_used    9895
_cell_measurement_theta_min      4.11
_cell_measurement_theta_max      28.33

_exptl_crystal_description       Cubic
_exptl_crystal_colour            Colourless
_exptl_crystal_density_meas      .
_exptl_crystal_density_method    .
_exptl_crystal_density_diffrn    1.687
_exptl_crystal_F_000             692
_exptl_transmission_factor_min   ?
_exptl_transmission_factor_max   ?
_exptl_crystal_size_max          0.186
_exptl_crystal_size_mid          0.184
_exptl_crystal_size_min          0.180
_exptl_absorpt_coefficient_mu    2.341
_shelx_estimated_absorpt_T_min   ?
_shelx_estimated_absorpt_T_max   ?
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_correction_T_min  0.6762
_exptl_absorpt_correction_T_max  0.7457
_exptl_absorpt_process_details   ?

_exptl_special_details           
;
 ?
;

_diffrn_ambient_temperature      373(2)
_diffrn_radiation_wavelength     0.71069
_diffrn_radiation_type           MoK\a
_diffrn_source                   ?
_diffrn_measurement_device_type  'Bruker APEX-II CCD'
_diffrn_measurement_method       'ω scans'
_diffrn_detector_area_resol_mean ?
_diffrn_reflns_number            37973
_diffrn_reflns_av_unetI/netI     0.0301
_diffrn_reflns_av_R_equivalents  0.0453
_diffrn_reflns_limit_h_min       -14
_diffrn_reflns_limit_h_max       14
_diffrn_reflns_limit_k_min       -15
_diffrn_reflns_limit_k_max       11
_diffrn_reflns_limit_l_min       -16
_diffrn_reflns_limit_l_max       16
_diffrn_reflns_theta_min         4.187
_diffrn_reflns_theta_max         28.000
_diffrn_reflns_theta_full        25.240
_diffrn_measured_fraction_theta_max 0.995
_diffrn_measured_fraction_theta_full 0.993
_diffrn_reflns_Laue_measured_fraction_max 0.995
_diffrn_reflns_Laue_measured_fraction_full 0.993
_diffrn_reflns_point_group_measured_fraction_max 0.995
_diffrn_reflns_point_group_measured_fraction_full 0.993
_reflns_number_total             6595
_reflns_number_gt                6213
_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_cell_refinement       'SAINT v8.34A (Bruker, 2013)'
_computing_data_collection       'BRUKER APEX II'
_computing_data_reduction        'SAINT v8.34A (Bruker, 2013)'
_computing_structure_solution    'ShelXS (Sheldrick, 2008)'
_computing_structure_refinement  'SHELXL-2013 (Sheldrick, 2013)'
_computing_molecular_graphics    'Olex2 (Dolomanov et al., 2009)'
_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)+(0.0155P)²+0.8902P] where P=(Fo²+2Fc²)/3'
_atom_sites_solution_primary     ?
_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         6595
_refine_ls_number_parameters     379
_refine_ls_number_restraints     0
_refine_ls_R_factor_all          0.0214
_refine_ls_R_factor_gt           0.0194
_refine_ls_wR_factor_ref         0.0468
_refine_ls_wR_factor_gt          0.0458
_refine_ls_goodness_of_fit_ref   1.076
_refine_ls_restrained_S_all      1.076
_refine_ls_shift/su_max          0.002
_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 0.36378(2) 0.43852(2) 0.35346(2) 0.01113(4) Uani 1 1 d . . . . .
O1 O 0.22498(14) 0.22332(13) 0.22582(12) 0.0171(3) Uani 1 1 d . . . . .
O2 O 0.42659(15) 0.31926(13) 0.18097(12) 0.0179(3) Uani 1 1 d . . . . .
O3 O 0.25660(14) 0.36437(13) 0.49910(12) 0.0161(3) Uani 1 1 d . . . . .
O4 O 0.41485(14) 0.40966(13) 0.65180(12) 0.0165(3) Uani 1 1 d . . . . .
O5 O 0.50218(14) 0.36076(13) 0.43621(12) 0.0169(3) Uani 1 1 d . . . . .
O6 O 0.65693(15) 0.36158(13) 0.56328(12) 0.0194(3) Uani 1 1 d . . . . .
N1 N 0.31108(17) 0.51384(15) 0.18291(14) 0.0142(3) Uani 1 1 d . . . . .
N2 N 0.11440(17) 0.42845(15) 0.30728(14) 0.0144(3) Uani 1 1 d . . . . .
C1 C 0.4028(2) 0.54876(19) 0.11719(17) 0.0177(4) Uani 1 1 d . . . . .
H1 H 0.4771 0.5276 0.1223 0.021 Uiso 1 1 calc R U . . .
C2 C 0.3941(2) 0.6159(2) 0.04028(18) 0.0211(4) Uani 1 1 d . . . . .
H2 H 0.4591 0.6358 -0.0062 0.025 Uiso 1 1 calc R U . . .
C3 C 0.2874(2) 0.6515(2) 0.03528(18) 0.0215(4) Uani 1 1 d . . . . .
H3 H 0.2812 0.6991 -0.0127 0.026 Uiso 1 1 calc R U . . .
C4 C 0.1874(2) 0.61572(19) 0.10308(17) 0.0180(4) Uani 1 1 d . . . . .
C5 C 0.0715(2) 0.6476(2) 0.10065(18) 0.0217(4) Uani 1 1 d . . . . .
H5 H 0.0639 0.6981 0.0563 0.026 Uiso 1 1 calc R U . . .
C6 C -0.0263(2) 0.6049(2) 0.16196(19) 0.0222(4) Uani 1 1 d . . . . .
H6 H -0.1005 0.6265 0.1592 0.027 Uiso 1 1 calc R U . . .
C7 C -0.0181(2) 0.52692(19) 0.23126(17) 0.0176(4) Uani 1 1 d . . . . .
C8 C -0.1201(2) 0.4773(2) 0.29400(19) 0.0209(4) Uani 1 1 d . . . . .
H8 H -0.1990 0.4916 0.2892 0.025 Uiso 1 1 calc R U . . .
C9 C -0.1022(2) 0.4079(2) 0.36196(19) 0.0210(4) Uani 1 1 d . . . . .
H9 H -0.1680 0.3755 0.4046 0.025 Uiso 1 1 calc R U . . .
C10 C 0.0173(2) 0.38639(19) 0.36626(18) 0.0181(4) Uani 1 1 d . . . . .
H10 H 0.0288 0.3398 0.4134 0.022 Uiso 1 1 calc R U . . .
C11 C 0.0973(2) 0.49840(18) 0.23983(16) 0.0142(4) Uani 1 1 d . . . . .
C12 C 0.2019(2) 0.54386(18) 0.17411(16) 0.0145(4) Uani 1 1 d . . . . .
C13 C 0.3146(2) 0.22271(18) 0.16297(16) 0.0151(4) Uani 1 1 d . . . . .
C14 C 0.2834(2) 0.10234(18) 0.06566(16) 0.0155(4) Uani 1 1 d . . . . .
C15 C 0.3845(2) 0.0921(2) 0.00446(18) 0.0217(4) Uani 1 1 d . . . . .
H15 H 0.4726 0.1582 0.0255 0.026 Uiso 1 1 calc R U . . .
C16 C 0.3540(3) -0.0169(2) -0.08835(19) 0.0279(5) Uani 1 1 d . . . . .
H16 H 0.4220 -0.0239 -0.1289 0.033 Uiso 1 1 calc R U . . .
C17 C 0.2237(3) -0.1141(2) -0.12018(19) 0.0313(6) Uani 1 1 d . . . . .
H17 H 0.2035 -0.1860 -0.1833 0.038 Uiso 1 1 calc R U . . .
C18 C 0.1218(3) -0.1063(2) -0.0589(2) 0.0276(5) Uani 1 1 d . . . . .
H18 H 0.0337 -0.1725 -0.0803 0.033 Uiso 1 1 calc R U . . .
C19 C 0.1535(2) 0.0023(2) 0.03503(18) 0.0199(4) Uani 1 1 d . . . . .
H19 H 0.0865 0.0076 0.0776 0.024 Uiso 1 1 calc R U . . .
C20 C 0.2963(2) 0.34763(18) 0.59081(17) 0.0137(4) Uani 1 1 d . . . . .
C21 C 0.1927(2) 0.24650(18) 0.63144(17) 0.0140(4) Uani 1 1 d . . . . .
C22 C 0.0557(2) 0.1839(2) 0.57658(19) 0.0217(4) Uani 1 1 d . . . . .
H22 H 0.0273 0.2048 0.5143 0.026 Uiso 1 1 calc R U . . .
C23 C -0.0389(2) 0.0907(2) 0.6140(2) 0.0268(5) Uani 1 1 d . . . . .
H23 H -0.1305 0.0502 0.5774 0.032 Uiso 1 1 calc R U . . .
C24 C 0.0020(2) 0.0575(2) 0.7055(2) 0.0249(5) Uani 1 1 d . . . . .
H24 H -0.0615 -0.0060 0.7296 0.030 Uiso 1 1 calc R U . . .
C25 C 0.1380(2) 0.1192(2) 0.7611(2) 0.0232(5) Uani 1 1 d . . . . .
H25 H 0.1659 0.0970 0.8227 0.028 Uiso 1 1 calc R U . . .
C26 C 0.2330(2) 0.2143(2) 0.72506(18) 0.0187(4) Uani 1 1 d . . . . .
H26 H 0.3239 0.2566 0.7636 0.022 Uiso 1 1 calc R U . . .
C27 C 0.56625(19) 0.30428(18) 0.47393(17) 0.0134(4) Uani 1 1 d . . . . .
C28 C 0.5336(2) 0.16681(18) 0.41284(16) 0.0136(4) Uani 1 1 d . . . . .
C29 C 0.6279(2) 0.11748(19) 0.43449(18) 0.0177(4) Uani 1 1 d . . . . .
H29 H 0.7119 0.1713 0.4835 0.021 Uiso 1 1 calc R U . . .
C30 C 0.5967(2) -0.0113(2) 0.38322(18) 0.0221(4) Uani 1 1 d . . . . .
H30 H 0.6604 -0.0437 0.3965 0.027 Uiso 1 1 calc R U . . .
C31 C 0.4702(2) -0.0921(2) 0.31197(18) 0.0237(5) Uani 1 1 d . . . . .
H31 H 0.4487 -0.1788 0.2783 0.028 Uiso 1 1 calc R U . . .
C32 C 0.3761(2) -0.0439(2) 0.29085(19) 0.0235(5) Uani 1 1 d . . . . .
H32 H 0.2913 -0.0985 0.2434 0.028 Uiso 1 1 calc R U . . .
C33 C 0.4077(2) 0.08562(19) 0.34025(17) 0.0180(4) Uani 1 1 d . . . . .
H33 H 0.3448 0.1180 0.3249 0.022 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
Eu1 O5 2.3359(15) . ?
Eu1 O3 2.3666(15) . ?
Eu1 O4 2.3799(16) 2_666 ?
Eu1 O1 2.4183(16) . ?
Eu1 O6 2.4296(16) 2_666 ?
Eu1 O2 2.5142(15) . ?
Eu1 N1 2.5905(18) . ?
Eu1 N2 2.655(2) . ?
Eu1 C13 2.824(2) . ?
Eu1 O5 2.8384(17) 2_666 ?
Eu1 C27 3.002(2) 2_666 ?
Eu1 Eu1 4.0262(14) 2_666 ?
O1 C13 1.275(2) . ?
O2 C13 1.254(2) . ?
O3 C20 1.268(2) . ?
O4 C20 1.259(2) . ?
O4 Eu1 2.3799(16) 2_666 ?
O5 C27 1.272(2) . ?
O5 Eu1 2.8384(17) 2_666 ?
O6 C27 1.254(2) . ?
O6 Eu1 2.4296(16) 2_666 ?
N1 C1 1.325(3) . ?
N1 C12 1.359(3) . ?
N2 C10 1.322(3) . ?
N2 C11 1.365(3) . ?
C1 C2 1.404(3) . ?
C1 H1 0.9300 . ?
C2 C3 1.372(3) . ?
C2 H2 0.9300 . ?
C3 C4 1.406(3) . ?
C3 H3 0.9300 . ?
C4 C12 1.408(3) . ?
C4 C5 1.438(3) . ?
C5 C6 1.349(3) . ?
C5 H5 0.9300 . ?
C6 C7 1.431(3) . ?
C6 H6 0.9300 . ?
C7 C8 1.410(3) . ?
C7 C11 1.413(3) . ?
C8 C9 1.367(3) . ?
C8 H8 0.9300 . ?
C9 C10 1.405(3) . ?
C9 H9 0.9300 . ?
C10 H10 0.9300 . ?
C11 C12 1.443(3) . ?
C13 C14 1.506(3) . ?
C14 C19 1.382(3) . ?
C14 C15 1.387(3) . ?
C15 C16 1.390(3) . ?
C15 H15 0.9300 . ?
C16 C17 1.372(4) . ?
C16 H16 0.9300 . ?
C17 C18 1.389(4) . ?
C17 H17 0.9300 . ?
C18 C19 1.393(3) . ?
C18 H18 0.9300 . ?
C19 H19 0.9300 . ?
C20 C21 1.508(3) . ?
C21 C22 1.392(3) . ?
C21 C26 1.395(3) . ?
C22 C23 1.386(3) . ?
C22 H22 0.9300 . ?
C23 C24 1.381(3) . ?
C23 H23 0.9300 . ?
C24 C25 1.384(3) . ?
C24 H24 0.9300 . ?
C25 C26 1.391(3) . ?
C25 H25 0.9300 . ?
C26 H26 0.9300 . ?
C27 C28 1.493(3) . ?
C27 Eu1 3.002(2) 2_666 ?
C28 C33 1.392(3) . ?
C28 C29 1.396(3) . ?
C29 C30 1.385(3) . ?
C29 H29 0.9300 . ?
C30 C31 1.389(3) . ?
C30 H30 0.9300 . ?
C31 C32 1.382(3) . ?
C31 H31 0.9300 . ?
C32 C33 1.388(3) . ?
C32 H32 0.9300 . ?
C33 H33 0.9300 . ?

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 73.53(5) . . ?
O5 Eu1 O4 79.78(6) . 2_666 ?
O3 Eu1 O4 134.70(5) . 2_666 ?
O5 Eu1 O1 89.62(6) . . ?
O3 Eu1 O1 86.04(5) . . ?
O4 Eu1 O1 130.14(5) 2_666 . ?
O5 Eu1 O6 126.85(5) . 2_666 ?
O3 Eu1 O6 87.77(5) . 2_666 ?
O4 Eu1 O6 79.72(6) 2_666 2_666 ?
O1 Eu1 O6 139.18(5) . 2_666 ?
O5 Eu1 O2 77.67(5) . . ?
O3 Eu1 O2 129.60(5) . . ?
O4 Eu1 O2 77.06(5) 2_666 . ?
O1 Eu1 O2 53.09(5) . . ?
O6 Eu1 O2 142.04(5) 2_666 . ?
O5 Eu1 N1 145.87(5) . . ?
O3 Eu1 N1 139.38(5) . . ?
O4 Eu1 N1 77.96(5) 2_666 . ?
O1 Eu1 N1 85.33(6) . . ?
O6 Eu1 N1 73.70(5) 2_666 . ?
O2 Eu1 N1 72.36(6) . . ?
O5 Eu1 N2 147.37(5) . . ?
O3 Eu1 N2 76.98(5) . . ?
O4 Eu1 N2 132.12(5) 2_666 . ?
O1 Eu1 N2 74.60(5) . . ?
O6 Eu1 N2 64.70(5) 2_666 . ?
O2 Eu1 N2 112.15(5) . . ?
N1 Eu1 N2 62.46(5) . . ?
O5 Eu1 C13 82.38(6) . . ?
O3 Eu1 C13 108.40(6) . . ?
O4 Eu1 C13 103.41(6) 2_666 . ?
O1 Eu1 C13 26.74(5) . . ?
O6 Eu1 C13 150.26(5) 2_666 . ?
O2 Eu1 C13 26.36(5) . . ?
N1 Eu1 C13 78.05(6) . . ?
N2 Eu1 C13 94.08(5) . . ?
O5 Eu1 O5 78.27(5) . 2_666 ?
O3 Eu1 O5 73.30(5) . 2_666 ?
O4 Eu1 O5 65.79(5) 2_666 2_666 ?
O1 Eu1 O5 158.26(4) . 2_666 ?
O6 Eu1 O5 48.61(5) 2_666 2_666 ?
O2 Eu1 O5 138.55(5) . 2_666 ?
N1 Eu1 O5 114.74(5) . 2_666 ?
N2 Eu1 O5 106.33(5) . 2_666 ?
C13 Eu1 O5 159.20(5) . 2_666 ?
O5 Eu1 C27 103.18(6) . 2_666 ?
O3 Eu1 C27 81.88(6) . 2_666 ?
O4 Eu1 C27 69.31(5) 2_666 2_666 ?
O1 Eu1 C27 159.05(5) . 2_666 ?
O6 Eu1 C27 23.83(5) 2_666 2_666 ?
O2 Eu1 C27 145.47(5) . 2_666 ?
N1 Eu1 C27 92.74(6) . 2_666 ?
N2 Eu1 C27 85.99(5) . 2_666 ?
C13 Eu1 C27 169.49(5) . 2_666 ?
O5 Eu1 C27 24.95(5) 2_666 2_666 ?
O5 Eu1 Eu1 43.65(4) . 2_666 ?
O3 Eu1 Eu1 68.46(5) . 2_666 ?
O4 Eu1 Eu1 66.92(4) 2_666 2_666 ?
O1 Eu1 Eu1 130.62(4) . 2_666 ?
O6 Eu1 Eu1 83.21(4) 2_666 2_666 ?
O2 Eu1 Eu1 113.86(4) . 2_666 ?
N1 Eu1 Eu1 140.83(4) . 2_666 ?
N2 Eu1 Eu1 133.38(4) . 2_666 ?
C13 Eu1 Eu1 125.60(4) . 2_666 ?
O5 Eu1 Eu1 34.61(3) 2_666 2_666 ?
C27 Eu1 Eu1 59.54(4) 2_666 2_666 ?
C13 O1 Eu1 94.67(12) . . ?
C13 O2 Eu1 90.75(12) . . ?
C20 O3 Eu1 135.41(12) . . ?
C20 O4 Eu1 139.79(13) . 2_666 ?
C27 O5 Eu1 172.76(13) . . ?
C27 O5 Eu1 84.73(12) . 2_666 ?
Eu1 O5 Eu1 101.74(6) . 2_666 ?
C27 O6 Eu1 104.61(12) . 2_666 ?
C1 N1 C12 117.84(17) . . ?
C1 N1 Eu1 120.97(13) . . ?
C12 N1 Eu1 119.78(12) . . ?
C10 N2 C11 117.44(17) . . ?
C10 N2 Eu1 123.20(13) . . ?
C11 N2 Eu1 117.33(12) . . ?
N1 C1 C2 123.7(2) . . ?
N1 C1 H1 118.1 . . ?
C2 C1 H1 118.1 . . ?
C3 C2 C1 118.4(2) . . ?
C3 C2 H2 120.8 . . ?
C1 C2 H2 120.8 . . ?
C2 C3 C4 119.57(19) . . ?
C2 C3 H3 120.2 . . ?
C4 C3 H3 120.2 . . ?
C3 C4 C12 117.80(19) . . ?
C3 C4 C5 122.63(19) . . ?
C12 C4 C5 119.56(19) . . ?
C6 C5 C4 120.7(2) . . ?
C6 C5 H5 119.6 . . ?
C4 C5 H5 119.6 . . ?
C5 C6 C7 121.2(2) . . ?
C5 C6 H6 119.4 . . ?
C7 C6 H6 119.4 . . ?
C8 C7 C11 117.33(19) . . ?
C8 C7 C6 123.03(19) . . ?
C11 C7 C6 119.64(19) . . ?
C9 C8 C7 119.56(19) . . ?
C9 C8 H8 120.2 . . ?
C7 C8 H8 120.2 . . ?
C8 C9 C10 118.87(19) . . ?
C8 C9 H9 120.6 . . ?
C10 C9 H9 120.6 . . ?
N2 C10 C9 123.9(2) . . ?
N2 C10 H10 118.1 . . ?
C9 C10 H10 118.1 . . ?
N2 C11 C7 122.90(18) . . ?
N2 C11 C12 118.01(17) . . ?
C7 C11 C12 119.09(18) . . ?
N1 C12 C4 122.47(18) . . ?
N1 C12 C11 117.90(17) . . ?
C4 C12 C11 119.62(18) . . ?
O2 C13 O1 121.45(18) . . ?
O2 C13 C14 120.08(18) . . ?
O1 C13 C14 118.47(18) . . ?
O2 C13 Eu1 62.90(10) . . ?
O1 C13 Eu1 58.59(10) . . ?
C14 C13 Eu1 176.40(14) . . ?
C19 C14 C15 119.46(19) . . ?
C19 C14 C13 120.40(19) . . ?
C15 C14 C13 120.13(19) . . ?
C14 C15 C16 120.0(2) . . ?
C14 C15 H15 120.0 . . ?
C16 C15 H15 120.0 . . ?
C17 C16 C15 120.1(2) . . ?
C17 C16 H16 119.9 . . ?
C15 C16 H16 119.9 . . ?
C16 C17 C18 120.6(2) . . ?
C16 C17 H17 119.7 . . ?
C18 C17 H17 119.7 . . ?
C17 C18 C19 119.0(2) . . ?
C17 C18 H18 120.5 . . ?
C19 C18 H18 120.5 . . ?
C14 C19 C18 120.7(2) . . ?
C14 C19 H19 119.6 . . ?
C18 C19 H19 119.6 . . ?
O4 C20 O3 125.39(18) . . ?
O4 C20 C21 117.10(17) . . ?
O3 C20 C21 117.50(17) . . ?
C22 C21 C26 118.86(18) . . ?
C22 C21 C20 120.76(18) . . ?
C26 C21 C20 120.38(18) . . ?
C23 C22 C21 120.5(2) . . ?
C23 C22 H22 119.8 . . ?
C21 C22 H22 119.8 . . ?
C24 C23 C22 120.4(2) . . ?
C24 C23 H23 119.8 . . ?
C22 C23 H23 119.8 . . ?
C23 C24 C25 119.8(2) . . ?
C23 C24 H24 120.1 . . ?
C25 C24 H24 120.1 . . ?
C24 C25 C26 120.1(2) . . ?
C24 C25 H25 120.0 . . ?
C26 C25 H25 120.0 . . ?
C25 C26 C21 120.4(2) . . ?
C25 C26 H26 119.8 . . ?
C21 C26 H26 119.8 . . ?
O6 C27 O5 121.21(18) . . ?
O6 C27 C28 118.40(17) . . ?
O5 C27 C28 120.39(18) . . ?
O6 C27 Eu1 51.56(9) . 2_666 ?
O5 C27 Eu1 70.32(11) . 2_666 ?
C28 C27 Eu1 166.41(13) . 2_666 ?
C33 C28 C29 119.66(18) . . ?
C33 C28 C27 120.99(18) . . ?
C29 C28 C27 119.24(18) . . ?
C30 C29 C28 120.2(2) . . ?
C30 C29 H29 119.9 . . ?
C28 C29 H29 119.9 . . ?
C29 C30 C31 119.8(2) . . ?
C29 C30 H30 120.1 . . ?
C31 C30 H30 120.1 . . ?
C32 C31 C30 120.2(2) . . ?
C32 C31 H31 119.9 . . ?
C30 C31 H31 119.9 . . ?
C31 C32 C33 120.3(2) . . ?
C31 C32 H32 119.9 . . ?
C33 C32 H32 119.9 . . ?
C32 C33 C28 119.84(19) . . ?
C32 C33 H33 120.1 . . ?
C28 C33 H33 120.1 . . ?

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 0.7(3) . . . . ?
Eu1 N1 C1 C2 -165.74(15) . . . . ?
N1 C1 C2 C3 2.3(3) . . . . ?
C1 C2 C3 C4 -2.6(3) . . . . ?
C2 C3 C4 C12 0.0(3) . . . . ?
C2 C3 C4 C5 -178.8(2) . . . . ?
C3 C4 C5 C6 176.1(2) . . . . ?
C12 C4 C5 C6 -2.8(3) . . . . ?
C4 C5 C6 C7 0.1(3) . . . . ?
C5 C6 C7 C8 -178.1(2) . . . . ?
C5 C6 C7 C11 2.7(3) . . . . ?
C11 C7 C8 C9 1.8(3) . . . . ?
C6 C7 C8 C9 -177.4(2) . . . . ?
C7 C8 C9 C10 -0.8(3) . . . . ?
C11 N2 C10 C9 1.0(3) . . . . ?
Eu1 N2 C10 C9 164.35(15) . . . . ?
C8 C9 C10 N2 -0.6(3) . . . . ?
C10 N2 C11 C7 0.1(3) . . . . ?
Eu1 N2 C11 C7 -164.24(14) . . . . ?
C10 N2 C11 C12 -179.42(17) . . . . ?
Eu1 N2 C11 C12 16.2(2) . . . . ?
C8 C7 C11 N2 -1.5(3) . . . . ?
C6 C7 C11 N2 177.71(18) . . . . ?
C8 C7 C11 C12 178.03(17) . . . . ?
C6 C7 C11 C12 -2.8(3) . . . . ?
C1 N1 C12 C4 -3.5(3) . . . . ?
Eu1 N1 C12 C4 163.15(14) . . . . ?
C1 N1 C12 C11 175.91(17) . . . . ?
Eu1 N1 C12 C11 -17.5(2) . . . . ?
C3 C4 C12 N1 3.1(3) . . . . ?
C5 C4 C12 N1 -178.02(18) . . . . ?
C3 C4 C12 C11 -176.26(18) . . . . ?
C5 C4 C12 C11 2.6(3) . . . . ?
N2 C11 C12 N1 0.3(3) . . . . ?
C7 C11 C12 N1 -179.27(17) . . . . ?
N2 C11 C12 C4 179.65(17) . . . . ?
C7 C11 C12 C4 0.1(3) . . . . ?
Eu1 O2 C13 O1 2.09(19) . . . . ?
Eu1 O2 C13 C14 -177.70(16) . . . . ?
Eu1 O1 C13 O2 -2.2(2) . . . . ?
Eu1 O1 C13 C14 177.62(15) . . . . ?
O2 C13 C14 C19 -170.86(18) . . . . ?
O1 C13 C14 C19 9.3(3) . . . . ?
O2 C13 C14 C15 7.8(3) . . . . ?
O1 C13 C14 C15 -171.98(18) . . . . ?
C19 C14 C15 C16 1.3(3) . . . . ?
C13 C14 C15 C16 -177.35(19) . . . . ?
C14 C15 C16 C17 0.5(3) . . . . ?
C15 C16 C17 C18 -1.3(3) . . . . ?
C16 C17 C18 C19 0.4(3) . . . . ?
C15 C14 C19 C18 -2.3(3) . . . . ?
C13 C14 C19 C18 176.38(19) . . . . ?
C17 C18 C19 C14 1.4(3) . . . . ?
Eu1 O4 C20 O3 -8.9(3) 2_666 . . . ?
Eu1 O4 C20 C21 172.05(12) 2_666 . . . ?
Eu1 O3 C20 O4 27.9(3) . . . . ?
Eu1 O3 C20 C21 -153.00(13) . . . . ?
O4 C20 C21 C22 172.65(18) . . . . ?
O3 C20 C21 C22 -6.5(3) . . . . ?
O4 C20 C21 C26 -7.2(3) . . . . ?
O3 C20 C21 C26 173.61(17) . . . . ?
C26 C21 C22 C23 -0.4(3) . . . . ?
C20 C21 C22 C23 179.74(19) . . . . ?
C21 C22 C23 C24 -0.8(4) . . . . ?
C22 C23 C24 C25 1.0(4) . . . . ?
C23 C24 C25 C26 0.0(3) . . . . ?
C24 C25 C26 C21 -1.2(3) . . . . ?
C22 C21 C26 C25 1.4(3) . . . . ?
C20 C21 C26 C25 -178.74(18) . . . . ?
Eu1 O6 C27 O5 10.4(2) 2_666 . . . ?
Eu1 O6 C27 C28 -169.00(13) 2_666 . . . ?
Eu1 O5 C27 O6 -8.60(17) 2_666 . . . ?
Eu1 O5 C27 C28 170.74(16) 2_666 . . . ?
O6 C27 C28 C33 157.45(18) . . . . ?
O5 C27 C28 C33 -21.9(3) . . . . ?
Eu1 C27 C28 C33 117.9(5) 2_666 . . . ?
O6 C27 C28 C29 -18.7(3) . . . . ?
O5 C27 C28 C29 161.97(18) . . . . ?
Eu1 C27 C28 C29 -58.2(6) 2_666 . . . ?
C33 C28 C29 C30 0.6(3) . . . . ?
C27 C28 C29 C30 176.74(18) . . . . ?
C28 C29 C30 C31 -1.3(3) . . . . ?
C29 C30 C31 C32 0.9(3) . . . . ?
C30 C31 C32 C33 0.3(3) . . . . ?
C31 C32 C33 C28 -1.1(3) . . . . ?
C29 C28 C33 C32 0.6(3) . . . . ?
C27 C28 C33 C32 -175.46(18) . . . . ?

_refine_diff_density_max         0.524
_refine_diff_density_min         -0.551
_refine_diff_density_rms         0.087


_exptl_crystal_preparation       Luminescent
####################################################################### 
# 
# 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_17oot6_0ma
_database_code_depnum_ccdc_archive 'CCDC 1934773'
loop_
_audit_author_name
_audit_author_address
'Orbett Alexander'
;Chemistry Department, University of the Free State
South Africa
;
_audit_update_record             
;
2019-06-18 deposited with the CCDC.	2019-10-04 downloaded from the CCDC.
;
# start Validation Reply Form
_vrf_DENSX01_17oot6_0ma          
;
PROBLEM: The ratio of the calculated to measured crystal density
RESPONSE: The density differences are impacted by the masked solvent void electron density.The OLEX2 program was used to mask the calculated solvent  void of about 272.7 electron count. 
;
_vrf_PLAT084_17oot6_0ma          
;
PROBLEM: High wR2 Value (i.e. > 0.25) ...................       0.36 Report
RESPONSE: The high R(int) value of 17.54% impacted by the intrinsic crystallinity from a poor diffrating crystal has impacted the smooth modelling of the desired  complex and hence the high wR2 value. Alternative refinement in P21/c was  attempted however resulted in low data completeness; hence the refinement  in current spacegroup. 
;
_vrf_PLAT342_17oot6_0ma          
;
PROBLEM: Low Bond Precision on  C-C Bonds ...............    0.02239 Ang.
RESPONSE: A positional disorder (61/39%)is observed on one of the benzene  (C37-42)ring. However, the harsh(RIGU) restraints have been incorporated  in attempt to keep the rings intact.
;
# Added during the CSD deposition process: Tuesday 18 June 2019 11:16 AM
# end Validation Reply Form

# start Validation Reply Form
_vrf_DENSX01_I                   
;
PROBLEM: The ratio of the calculated to measured crystal density 
lies outside the range 0.80 <> 1.20.
Calculated density = 1.585
Measured density = 0.314
RESPONSE: The density differences are impacted by the masked solvent void
electron density.The OLEX2 program was used to mask the calculated solvent 
void of about 272.7 electron count. 
;
_vrf_PLAT084_I                   
;
PROBLEM:  High wR2 Value (i.e. > 0.25)
RESPONSE:The high R(int) value of 17.54% impacted by the intrinsic crystallinity
from a poor diffrating crystal has impacted the smooth modelling of the desired 
complex and hence the high wR2 value. Alternative refinement in P21/c was 
attempted however resulted in low data completeness; hence the refinement 
in current spacegroup. 
;
_vrf_PLAT342_I                   
;
PROBLEM:  Low Bond Precision on C-C Bonds
RESPONSE:A positional disorder (61/39%)is observed on one of the benzene 
(C37-42)ring. However, the harsh(RIGU) restraints have been incorporated 
in attempt to keep the rings intact.
;
_vrf_PLAT976_I                   
;
PROBLEM:  Check Calcd Resid. Dens. 1.09A
RESPONSE:This residual electron density observed in the crystal reflects 
the electron density ripples between the heavy metal centre, europium (III) 
ion and the oxygen atom.
;
# end Validation Reply Form 
_audit_creation_date             2019-05-13
_shelxl_version_number           2013-3
_chemical_name_common            ?
_chemical_name_systematic        
;
 ?
;
_chemical_formula_moiety         'C42 H23 Cl3 Eu F9 N2 O6'
_chemical_formula_sum            'C42 H23 Cl3 Eu F9 N2 O6'
_chemical_formula_weight         1080.93
_chemical_melting_point          ?
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'
Cl Cl 0.1484 0.1585 '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'
F F 0.0171 0.0103 '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'

_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/n 1'
_space_group_name_Hall           '-P 2yn'
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                   12.097(3)
_cell_length_b                   18.354(5)
_cell_length_c                   21.031(5)
_cell_angle_alpha                90
_cell_angle_beta                 75.889(8)
_cell_angle_gamma                90
_cell_volume                     4529(2)
_cell_formula_units_Z            4
_cell_measurement_reflns_used    5887
_cell_measurement_temperature    100(2)
_cell_measurement_theta_max      19.41
_cell_measurement_theta_min      4.12
_shelx_estimated_absorpt_T_max   0.862
_shelx_estimated_absorpt_T_min   0.626
_exptl_absorpt_coefficient_mu    1.645
_exptl_absorpt_correction_T_max  0.7457
_exptl_absorpt_correction_T_min  0.4820
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   
;
SADABS-2014/5 (Bruker,2014/5) was used for absorption correction.
wR2(int) was 0.1225 before and 0.1038 after correction.
The Ratio of minimum to maximum transmission is 0.6464.
The λ/2 correction factor is 0.00150.
;
_exptl_crystal_colour            Colourless
_exptl_crystal_density_diffrn    1.585
_exptl_crystal_density_meas      0.314
_exptl_crystal_density_method    ?
_exptl_crystal_description       Cubic
_exptl_crystal_F_000             2128
_exptl_crystal_size_max          0.314
_exptl_crystal_size_mid          0.173
_exptl_crystal_size_min          0.093
_exptl_special_details           
;
 ?
;
_exptl_transmission_factor_max   ?
_exptl_transmission_factor_min   ?
_diffrn_reflns_av_R_equivalents  0.1779
_diffrn_reflns_av_unetI/netI     0.1562
_diffrn_reflns_Laue_measured_fraction_full 0.999
_diffrn_reflns_Laue_measured_fraction_max 1.000
_diffrn_reflns_limit_h_max       16
_diffrn_reflns_limit_h_min       -11
_diffrn_reflns_limit_k_max       24
_diffrn_reflns_limit_k_min       -23
_diffrn_reflns_limit_l_max       28
_diffrn_reflns_limit_l_min       -28
_diffrn_reflns_number            79772
_diffrn_reflns_point_group_measured_fraction_full 0.999
_diffrn_reflns_point_group_measured_fraction_max 1.000
_diffrn_reflns_theta_full        26.000
_diffrn_reflns_theta_max         28.000
_diffrn_reflns_theta_min         1.493
_diffrn_ambient_temperature      100.0
_diffrn_detector_area_resol_mean ?
_diffrn_measured_fraction_theta_full 0.999
_diffrn_measured_fraction_theta_max 1.000
_diffrn_measurement_device_type  'Bruker APEX-II CCD'
_diffrn_measurement_method       'ω scans'
_diffrn_radiation_monochromator  graphite
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_source                   ?
_diffrn_standards_number         0
_reflns_Friedel_coverage         0.000
_reflns_Friedel_fraction_full    .
_reflns_Friedel_fraction_max     .
_reflns_number_gt                5294
_reflns_number_total             10911
_reflns_special_details          
;
 Reflections were merged by SHELXL according to the crystal
 class for the calculation of statistics and refinement.
 
 Structure factors included contributions from the .fab file.
 
 _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_data_collection       'Bruker APEX2'
_computing_cell_refinement       'Bruker SAINT'
_computing_data_reduction        'Bruker SAINT'
_computing_molecular_graphics    'Olex2 (Dolomanov et al., 2009)'
_computing_publication_material  'Olex2 (Dolomanov et al., 2009)'
_computing_structure_refinement  'ShelXL (Sheldrick, 2015)'
_computing_structure_solution    'ShelXT (Sheldrick, 2015)'
_refine_diff_density_max         1.455
_refine_diff_density_min         -4.125
_refine_diff_density_rms         0.444
_refine_ls_extinction_coef       .
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.099
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     580
_refine_ls_number_reflns         10911
_refine_ls_number_restraints     248
_refine_ls_R_factor_all          0.1936
_refine_ls_R_factor_gt           0.0915
_refine_ls_restrained_S_all      1.089
_refine_ls_shift/su_max          0.001
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details     
'w=1/[σ²(Fo²)+(0.1949P)²+10.6759P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.2394
_refine_ls_wR_factor_ref         0.3598
_refine_special_details          
;
 ?
;
_atom_sites_solution_hydrogens   geom
_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
Eu1 Eu 0.24020(6) 0.59692(4) 0.76070(3) 0.0356(3) Uani 1 1 d . . . . .
Cl3 Cl 0.3526(4) 0.4248(3) 0.35219(18) 0.0674(12) Uani 1 1 d . U . . .
Cl1 Cl 0.0910(5) 0.3199(3) 1.1227(3) 0.0924(18) Uani 1 1 d . . . . .
Cl2 Cl -0.0883(5) 0.8907(3) 0.5228(3) 0.0883(17) Uani 1 1 d . . . . .
F2 F 0.2197(11) 0.7700(5) 0.9867(5) 0.081(3) Uani 1 1 d . . . . .
F8 F 0.5567(9) 0.7693(5) 0.6725(6) 0.079(3) Uani 1 1 d . U . . .
F4 F 0.0394(9) 0.3969(5) 0.6859(6) 0.082(3) Uani 1 1 d . . . . .
F7 F 0.5256(10) 0.7932(6) 0.5809(5) 0.094(4) Uani 1 1 d . U . . .
F1 F 0.2845(9) 0.8067(5) 0.8878(5) 0.070(3) Uani 1 1 d . . . . .
F9 F 0.4095(9) 0.8304(5) 0.6664(5) 0.077(3) Uani 1 1 d . U . . .
F3 F 0.1061(9) 0.8043(5) 0.9279(5) 0.073(3) Uani 1 1 d . . . . .
F5 F -0.1211(9) 0.4467(6) 0.6831(5) 0.077(3) Uani 1 1 d . . . . .
F6 F -0.0847(8) 0.4213(5) 0.7762(6) 0.068(3) Uani 1 1 d . . . . .
O2 O 0.1858(7) 0.5420(5) 0.8667(4) 0.041(2) Uani 1 1 d . . . . .
O6 O 0.3019(8) 0.5670(5) 0.6463(4) 0.041(2) Uani 1 1 d . . . . .
O1 O 0.2029(7) 0.6903(5) 0.8379(4) 0.038(2) Uani 1 1 d . . . . .
O4 O 0.1098(9) 0.6635(5) 0.7128(5) 0.048(2) Uani 1 1 d . . . . .
O3 O 0.0887(8) 0.5197(5) 0.7516(5) 0.046(2) Uani 1 1 d . . . . .
O5 O 0.3552(8) 0.6917(5) 0.7062(4) 0.041(2) Uani 1 1 d . . . . .
N1 N 0.3481(10) 0.4737(6) 0.7533(5) 0.042(3) Uani 1 1 d . . . . .
N2 N 0.4262(9) 0.5995(6) 0.7991(5) 0.039(2) Uani 1 1 d . U . . .
C36 C 0.3508(11) 0.5981(6) 0.5964(5) 0.030(3) Uani 1 1 d . . . . .
C17 C 0.1553(11) 0.5019(8) 0.9770(6) 0.040(3) Uani 1 1 d . . . . .
C41A C 0.3267(12) 0.4433(5) 0.4829(5) 0.046(3) Uani 0.61 1 d . U P A 2
H41A H 0.3085 0.3929 0.4863 0.055 Uiso 0.61 1 calc R . P A 2
C42A C 0.3257(12) 0.4836(6) 0.5390(4) 0.045(2) Uani 0.61 1 d G U P A 2
H42A H 0.3067 0.4607 0.5808 0.055 Uiso 0.61 1 calc R . P A 2
C37 C 0.3523(10) 0.5574(6) 0.5340(4) 0.045(2) Uani 1 1 d DG U . . .
C38A C 0.3800(13) 0.5909(5) 0.4729(5) 0.046(3) Uani 0.61 1 d G U P A 2
H38A H 0.3982 0.6413 0.4695 0.055 Uiso 0.61 1 calc R . P A 2
C39A C 0.3810(12) 0.5506(6) 0.4168(4) 0.047(3) Uani 0.61 1 d G U P A 2
H39A H 0.4000 0.5735 0.3751 0.056 Uiso 0.61 1 calc R . P A 2
C40 C 0.3544(10) 0.4768(6) 0.4218(4) 0.045(2) Uani 1 1 d DG U . . .
C16 C 0.1780(11) 0.5614(7) 0.9249(6) 0.036(3) Uani 1 1 d . . . . .
C15 C 0.1868(11) 0.6340(8) 0.9428(6) 0.041(3) Uani 1 1 d . . . . .
H15 H 0.1842 0.6446 0.9874 0.049 Uiso 1 1 calc R . . . .
C22 C 0.1173(11) 0.5161(9) 1.0435(6) 0.046(4) Uani 1 1 d . . . . .
H22 H 0.1045 0.5653 1.0574 0.055 Uiso 1 1 calc R . . . .
C18 C 0.1728(12) 0.4292(8) 0.9544(8) 0.049(4) Uani 1 1 d . . . . .
H18 H 0.1974 0.4187 0.9089 0.059 Uiso 1 1 calc R . . . .
C11 C 0.4863(11) 0.5362(8) 0.7989(6) 0.040(3) Uani 1 1 d . U . . .
C35 C 0.4002(12) 0.6659(7) 0.5925(7) 0.041(3) Uani 1 1 d . . . . .
H35 H 0.4331 0.6858 0.5504 0.049 Uiso 1 1 calc R . . . .
C14 C 0.1990(12) 0.6908(7) 0.8992(7) 0.041(3) Uani 1 1 d . . . . .
C1 C 0.3085(14) 0.4157(7) 0.7318(7) 0.047(3) Uani 1 1 d . U . . .
H1 H 0.2389 0.4182 0.7186 0.057 Uiso 1 1 calc R . . . .
C10 C 0.4678(12) 0.6581(8) 0.8194(7) 0.045(3) Uani 1 1 d . U . . .
H10 H 0.4256 0.7019 0.8200 0.054 Uiso 1 1 calc R . . . .
C28 C 0.0852(14) 0.7589(9) 0.6147(7) 0.053(4) Uani 1 1 d . . . . .
H28 H 0.1603 0.7553 0.6208 0.063 Uiso 1 1 calc R . . . .
C20 C 0.1166(13) 0.3938(12) 1.0670(9) 0.075(7) Uani 1 1 d . . . . .
C26 C 0.0367(13) 0.6494(9) 0.6847(7) 0.054(4) Uani 1 1 d . . . . .
C24 C 0.0152(13) 0.5216(9) 0.7183(8) 0.055(4) Uani 1 1 d . . . . .
C3 C 0.4700(16) 0.3455(8) 0.7435(7) 0.060(4) Uani 1 1 d . U . . .
H3 H 0.5125 0.3015 0.7376 0.072 Uiso 1 1 calc R . . . .
C4 C 0.5137(14) 0.4088(8) 0.7690(8) 0.054(3) Uani 1 1 d . U . . .
C12 C 0.4474(12) 0.4705(8) 0.7732(7) 0.043(3) Uani 1 1 d . U . . .
C33 C 0.4735(14) 0.7740(9) 0.6397(9) 0.061(3) Uani 1 1 d . U . . .
C23 C -0.0397(14) 0.4470(9) 0.7152(9) 0.060(4) Uani 1 1 d . . . . .
C29 C 0.0594(13) 0.8152(10) 0.5772(8) 0.060(4) Uani 1 1 d . . . . .
H29 H 0.1162 0.8497 0.5579 0.072 Uiso 1 1 calc R . . . .
C6 C 0.6548(16) 0.4673(11) 0.8136(9) 0.072(5) Uani 1 1 d . U . . .
H6 H 0.7228 0.4650 0.8285 0.086 Uiso 1 1 calc R . . . .
C5 C 0.6166(15) 0.4084(10) 0.7874(9) 0.065(4) Uani 1 1 d . U . . .
H5 H 0.6613 0.3653 0.7812 0.078 Uiso 1 1 calc R . . . .
C32 C -0.1074(17) 0.7097(13) 0.6333(9) 0.076(5) Uani 1 1 d . . . . .
H32 H -0.1615 0.6729 0.6508 0.091 Uiso 1 1 calc R . . . .
C31 C -0.1362(16) 0.7682(11) 0.5964(9) 0.075(6) Uani 1 1 d . . . . .
H31 H -0.2115 0.7721 0.5908 0.090 Uiso 1 1 calc R . . . .
C8 C 0.6288(14) 0.5968(10) 0.8405(9) 0.066(4) Uani 1 1 d . U . . .
H8 H 0.6960 0.5974 0.8562 0.079 Uiso 1 1 calc R . . . .
C30 C -0.0524(16) 0.8213(10) 0.5676(9) 0.065(5) Uani 1 1 d . . . . .
C13 C 0.2044(14) 0.7707(8) 0.9250(8) 0.051(4) Uani 1 1 d . . . . .
C34 C 0.4036(11) 0.7057(7) 0.6465(7) 0.041(3) Uani 1 1 d . . . . .
C25 C -0.0152(13) 0.5782(8) 0.6856(8) 0.048(4) Uani 1 1 d . . . . .
H25 H -0.0726 0.5712 0.6624 0.057 Uiso 1 1 calc R . . . .
C19 C 0.1535(13) 0.3745(9) 0.9997(8) 0.053(4) Uani 1 1 d . . . . .
H19 H 0.1645 0.3250 0.9866 0.064 Uiso 1 1 calc R . . . .
C7 C 0.5921(12) 0.5320(9) 0.8183(7) 0.053(3) Uani 1 1 d . U . . .
C21 C 0.0985(14) 0.4653(10) 1.0874(8) 0.057(4) Uani 1 1 d . . . . .
H21 H 0.0729 0.4768 1.1326 0.068 Uiso 1 1 calc R . . . .
C27 C 0.0050(13) 0.7076(9) 0.6435(7) 0.050(4) Uani 1 1 d . . . . .
C2 C 0.3676(15) 0.3484(8) 0.7276(7) 0.056(4) Uani 1 1 d . U . . .
H2 H 0.3358 0.3057 0.7138 0.067 Uiso 1 1 calc R . . . .
C9 C 0.5666(13) 0.6623(10) 0.8397(8) 0.059(4) Uani 1 1 d . U . . .
H9 H 0.5927 0.7074 0.8528 0.070 Uiso 1 1 calc R . . . .
C41 C 0.286(3) 0.4515(16) 0.4806(7) 0.045(2) Uani 0.39 1 d D U P A 1
H41 H 0.2411 0.4086 0.4833 0.054 Uiso 0.39 1 calc R . P A 1
C42 C 0.288(3) 0.4937(12) 0.5353(14) 0.045(2) Uani 0.39 1 d D U P A 1
H42 H 0.2422 0.4782 0.5765 0.054 Uiso 0.39 1 calc R . P A 1
C38 C 0.426(3) 0.572(2) 0.4730(18) 0.053(10) Uani 0.39 1 d . U P A 1
H38 H 0.4774 0.6116 0.4688 0.064 Uiso 0.39 1 calc R . P A 1
C39 C 0.425(3) 0.526(2) 0.4145(18) 0.044(7) Uani 0.39 1 d . U P A 1
H39 H 0.4774 0.5351 0.3734 0.053 Uiso 0.39 1 calc R . P A 1


_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 O2 2.388(9) . ?
Eu1 O6 2.403(8) . ?
Eu1 O1 2.328(9) . ?
Eu1 O4 2.402(10) . ?
Eu1 O3 2.361(9) . ?
Eu1 O5 2.345(9) . ?
Eu1 N1 2.597(12) . ?
Eu1 N2 2.570(11) . ?
Cl3 C40 1.753(8) . ?
Cl1 C20 1.769(17) . ?
Cl2 C30 1.703(17) . ?
F2 C13 1.354(17) . ?
F8 C33 1.35(2) . ?
F4 C23 1.361(18) . ?
F7 C33 1.293(18) . ?
F1 C13 1.273(18) . ?
F9 C33 1.332(18) . ?
F3 C13 1.328(18) . ?
F5 C23 1.322(18) . ?
F6 C23 1.35(2) . ?
O2 C16 1.256(14) . ?
O6 C36 1.214(14) . ?
O1 C14 1.277(16) . ?
O4 C26 1.206(17) . ?
O3 C24 1.259(18) . ?
O5 C34 1.276(15) . ?
N1 C1 1.294(17) . ?
N1 C12 1.366(18) . ?
N2 C11 1.370(18) . ?
N2 C10 1.302(17) . ?
C36 C37 1.505(13) . ?
C36 C35 1.375(17) . ?
C17 C16 1.524(19) . ?
C17 C22 1.387(18) . ?
C17 C18 1.41(2) . ?
C41A H41A 0.9500 . ?
C41A C42A 1.3900 . ?
C41A C40 1.3900 . ?
C42A H42A 0.9500 . ?
C42A C37 1.3900 . ?
C37 C38A 1.3900 . ?
C37 C42 1.402(4) . ?
C37 C38 1.40(4) . ?
C38A H38A 0.9500 . ?
C38A C39A 1.3900 . ?
C39A H39A 0.9500 . ?
C39A C40 1.3900 . ?
C40 C41 1.391(4) . ?
C40 C39 1.23(4) . ?
C16 C15 1.397(19) . ?
C15 H15 0.9500 . ?
C15 C14 1.374(19) . ?
C22 H22 0.9500 . ?
C22 C21 1.29(2) . ?
C18 H18 0.9500 . ?
C18 C19 1.36(2) . ?
C11 C12 1.45(2) . ?
C11 C7 1.44(2) . ?
C35 H35 0.9500 . ?
C35 C34 1.359(19) . ?
C14 C13 1.570(19) . ?
C1 H1 0.9500 . ?
C1 C2 1.42(2) . ?
C10 H10 0.9500 . ?
C10 C9 1.37(2) . ?
C28 H28 0.9500 . ?
C28 C29 1.38(2) . ?
C28 C27 1.38(2) . ?
C20 C19 1.42(3) . ?
C20 C21 1.38(3) . ?
C26 C25 1.45(2) . ?
C26 C27 1.48(2) . ?
C24 C23 1.53(2) . ?
C24 C25 1.35(2) . ?
C3 H3 0.9500 . ?
C3 C4 1.43(2) . ?
C3 C2 1.36(2) . ?
C4 C12 1.38(2) . ?
C4 C5 1.39(2) . ?
C33 C34 1.50(2) . ?
C29 H29 0.9500 . ?
C29 C30 1.42(2) . ?
C6 H6 0.9500 . ?
C6 C5 1.35(3) . ?
C6 C7 1.40(2) . ?
C5 H5 0.9500 . ?
C32 H32 0.9500 . ?
C32 C31 1.42(3) . ?
C32 C27 1.43(2) . ?
C31 H31 0.9500 . ?
C31 C30 1.43(3) . ?
C8 H8 0.9500 . ?
C8 C7 1.39(2) . ?
C8 C9 1.42(2) . ?
C25 H25 0.9500 . ?
C19 H19 0.9500 . ?
C21 H21 0.9500 . ?
C2 H2 0.9500 . ?
C9 H9 0.9500 . ?
C41 H41 0.9500 . ?
C41 C42 1.391(4) . ?
C42 H42 0.9500 . ?
C38 H38 0.9500 . ?
C38 C39 1.49(5) . ?
C39 H39 0.9500 . ?

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
O2 Eu1 O6 141.8(3) . . ?
O2 Eu1 O4 123.1(3) . . ?
O2 Eu1 N1 73.0(3) . . ?
O2 Eu1 N2 77.2(3) . . ?
O6 Eu1 N1 73.3(3) . . ?
O6 Eu1 N2 103.7(3) . . ?
O1 Eu1 O2 72.4(3) . . ?
O1 Eu1 O6 145.8(3) . . ?
O1 Eu1 O4 83.3(3) . . ?
O1 Eu1 O3 118.4(3) . . ?
O1 Eu1 O5 77.6(3) . . ?
O1 Eu1 N1 133.8(3) . . ?
O1 Eu1 N2 78.6(3) . . ?
O4 Eu1 O6 76.8(3) . . ?
O4 Eu1 N1 142.2(3) . . ?
O4 Eu1 N2 146.9(3) . . ?
O3 Eu1 O2 77.2(3) . . ?
O3 Eu1 O6 80.7(3) . . ?
O3 Eu1 O4 70.7(3) . . ?
O3 Eu1 N1 82.0(3) . . ?
O3 Eu1 N2 142.5(4) . . ?
O5 Eu1 O2 139.9(3) . . ?
O5 Eu1 O6 71.2(3) . . ?
O5 Eu1 O4 77.9(3) . . ?
O5 Eu1 O3 141.8(3) . . ?
O5 Eu1 N1 112.8(3) . . ?
O5 Eu1 N2 71.3(3) . . ?
N2 Eu1 N1 64.5(4) . . ?
C16 O2 Eu1 136.7(9) . . ?
C36 O6 Eu1 136.5(8) . . ?
C14 O1 Eu1 131.5(8) . . ?
C26 O4 Eu1 137.1(11) . . ?
C24 O3 Eu1 134.1(10) . . ?
C34 O5 Eu1 134.9(9) . . ?
C1 N1 Eu1 120.9(10) . . ?
C1 N1 C12 120.0(13) . . ?
C12 N1 Eu1 119.1(9) . . ?
C11 N2 Eu1 119.2(8) . . ?
C10 N2 Eu1 123.8(10) . . ?
C10 N2 C11 117.1(13) . . ?
O6 C36 C37 114.8(10) . . ?
O6 C36 C35 126.2(12) . . ?
C35 C36 C37 119.0(11) . . ?
C22 C17 C16 123.2(13) . . ?
C22 C17 C18 120.1(13) . . ?
C18 C17 C16 116.7(12) . . ?
C42A C41A H41A 120.0 . . ?
C42A C41A C40 120.0 . . ?
C40 C41A H41A 120.0 . . ?
C41A C42A H42A 120.0 . . ?
C41A C42A C37 120.0 . . ?
C37 C42A H42A 120.0 . . ?
C42A C37 C36 117.7(8) . . ?
C38A C37 C36 122.3(8) . . ?
C38A C37 C42A 120.0 . . ?
C42 C37 C36 120.6(14) . . ?
C38 C37 C36 125.1(19) . . ?
C38 C37 C42 114(2) . . ?
C37 C38A H38A 120.0 . . ?
C37 C38A C39A 120.0 . . ?
C39A C38A H38A 120.0 . . ?
C38A C39A H39A 120.0 . . ?
C40 C39A C38A 120.0 . . ?
C40 C39A H39A 120.0 . . ?
C41A C40 Cl3 118.8(6) . . ?
C39A C40 Cl3 121.2(6) . . ?
C39A C40 C41A 120.0 . . ?
C41 C40 Cl3 115.8(12) . . ?
C39 C40 Cl3 116.6(18) . . ?
C39 C40 C41 127(2) . . ?
O2 C16 C17 117.1(12) . . ?
O2 C16 C15 122.8(12) . . ?
C15 C16 C17 120.1(11) . . ?
C16 C15 H15 118.4 . . ?
C14 C15 C16 123.1(12) . . ?
C14 C15 H15 118.4 . . ?
C17 C22 H22 118.6 . . ?
C21 C22 C17 122.7(16) . . ?
C21 C22 H22 118.6 . . ?
C17 C18 H18 120.9 . . ?
C19 C18 C17 118.3(15) . . ?
C19 C18 H18 120.9 . . ?
N2 C11 C12 119.2(12) . . ?
N2 C11 C7 123.5(13) . . ?
C7 C11 C12 117.1(13) . . ?
C36 C35 H35 118.7 . . ?
C34 C35 C36 122.5(12) . . ?
C34 C35 H35 118.7 . . ?
O1 C14 C15 129.8(13) . . ?
O1 C14 C13 111.2(12) . . ?
C15 C14 C13 118.9(12) . . ?
N1 C1 H1 119.5 . . ?
N1 C1 C2 120.9(16) . . ?
C2 C1 H1 119.5 . . ?
N2 C10 H10 117.0 . . ?
N2 C10 C9 125.9(15) . . ?
C9 C10 H10 117.0 . . ?
C29 C28 H28 119.1 . . ?
C29 C28 C27 121.9(15) . . ?
C27 C28 H28 119.1 . . ?
C19 C20 Cl1 115.5(17) . . ?
C21 C20 Cl1 122.2(15) . . ?
C21 C20 C19 122.3(15) . . ?
O4 C26 C25 123.6(15) . . ?
O4 C26 C27 117.2(15) . . ?
C25 C26 C27 119.0(13) . . ?
O3 C24 C23 111.9(15) . . ?
O3 C24 C25 128.6(14) . . ?
C25 C24 C23 119.5(15) . . ?
C4 C3 H3 120.0 . . ?
C2 C3 H3 120.0 . . ?
C2 C3 C4 120.1(15) . . ?
C12 C4 C3 115.4(16) . . ?
C12 C4 C5 122.1(16) . . ?
C5 C4 C3 122.5(15) . . ?
N1 C12 C11 118.0(12) . . ?
N1 C12 C4 123.8(14) . . ?
C4 C12 C11 118.2(14) . . ?
F8 C33 C34 111.8(14) . . ?
F7 C33 F8 104.8(14) . . ?
F7 C33 F9 106.8(14) . . ?
F7 C33 C34 116.8(14) . . ?
F9 C33 F8 105.2(14) . . ?
F9 C33 C34 110.7(13) . . ?
F4 C23 C24 111.0(14) . . ?
F5 C23 F4 107.1(14) . . ?
F5 C23 F6 107.8(14) . . ?
F5 C23 C24 114.3(15) . . ?
F6 C23 F4 105.7(14) . . ?
F6 C23 C24 110.5(14) . . ?
C28 C29 H29 120.1 . . ?
C28 C29 C30 119.7(16) . . ?
C30 C29 H29 120.1 . . ?
C5 C6 H6 120.8 . . ?
C5 C6 C7 118.4(17) . . ?
C7 C6 H6 120.8 . . ?
C4 C5 H5 119.0 . . ?
C6 C5 C4 122.1(16) . . ?
C6 C5 H5 119.0 . . ?
C31 C32 H32 120.9 . . ?
C31 C32 C27 118.2(19) . . ?
C27 C32 H32 120.9 . . ?
C32 C31 H31 119.8 . . ?
C32 C31 C30 120.4(17) . . ?
C30 C31 H31 119.8 . . ?
C7 C8 H8 119.7 . . ?
C7 C8 C9 120.5(15) . . ?
C9 C8 H8 119.7 . . ?
C29 C30 Cl2 121.1(15) . . ?
C29 C30 C31 119.1(16) . . ?
C31 C30 Cl2 119.7(14) . . ?
F2 C13 C14 110.5(12) . . ?
F1 C13 F2 109.4(13) . . ?
F1 C13 F3 109.0(13) . . ?
F1 C13 C14 111.2(12) . . ?
F3 C13 F2 106.9(13) . . ?
F3 C13 C14 109.7(12) . . ?
O5 C34 C35 128.0(12) . . ?
O5 C34 C33 112.0(13) . . ?
C35 C34 C33 120.1(13) . . ?
C26 C25 H25 118.9 . . ?
C24 C25 C26 122.1(14) . . ?
C24 C25 H25 118.9 . . ?
C18 C19 C20 118.1(17) . . ?
C18 C19 H19 120.9 . . ?
C20 C19 H19 120.9 . . ?
C6 C7 C11 122.0(16) . . ?
C8 C7 C11 115.4(15) . . ?
C8 C7 C6 122.6(16) . . ?
C22 C21 C20 118.5(16) . . ?
C22 C21 H21 120.8 . . ?
C20 C21 H21 120.8 . . ?
C28 C27 C26 119.5(14) . . ?
C28 C27 C32 120.6(16) . . ?
C32 C27 C26 119.9(16) . . ?
C1 C2 H2 120.2 . . ?
C3 C2 C1 119.6(15) . . ?
C3 C2 H2 120.2 . . ?
C10 C9 C8 117.5(15) . . ?
C10 C9 H9 121.3 . . ?
C8 C9 H9 121.3 . . ?
C40 C41 H41 122.5 . . ?
C42 C41 C40 115(2) . . ?
C42 C41 H41 122.5 . . ?
C37 C42 H42 117.6 . . ?
C41 C42 C37 125(3) . . ?
C41 C42 H42 117.6 . . ?
C37 C38 H38 119.2 . . ?
C37 C38 C39 122(3) . . ?
C39 C38 H38 119.2 . . ?
C40 C39 C38 117(3) . . ?
C40 C39 H39 121.5 . . ?
C38 C39 H39 121.5 . . ?

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
Eu1 O2 C16 C17 -170.9(8) . . . . ?
Eu1 O2 C16 C15 10(2) . . . . ?
Eu1 O6 C36 C37 -170.4(8) . . . . ?
Eu1 O6 C36 C35 8(2) . . . . ?
Eu1 O1 C14 C15 -19(2) . . . . ?
Eu1 O1 C14 C13 164.0(9) . . . . ?
Eu1 O4 C26 C25 17(2) . . . . ?
Eu1 O4 C26 C27 -159.1(10) . . . . ?
Eu1 O3 C24 C23 162.4(10) . . . . ?
Eu1 O3 C24 C25 -15(3) . . . . ?
Eu1 O5 C34 C35 1(2) . . . . ?
Eu1 O5 C34 C33 -177.1(10) . . . . ?
Eu1 N1 C1 C2 179.8(10) . . . . ?
Eu1 N1 C12 C11 1.4(15) . . . . ?
Eu1 N1 C12 C4 -177.4(11) . . . . ?
Eu1 N2 C11 C12 3.9(15) . . . . ?
Eu1 N2 C11 C7 178.9(10) . . . . ?
Eu1 N2 C10 C9 -179.4(12) . . . . ?
Cl3 C40 C41 C42 -180(2) . . . . ?
Cl3 C40 C39 C38 179(3) . . . . ?
Cl1 C20 C19 C18 179.0(12) . . . . ?
Cl1 C20 C21 C22 -178.8(12) . . . . ?
F8 C33 C34 O5 59.9(17) . . . . ?
F8 C33 C34 C35 -118.6(16) . . . . ?
F7 C33 C34 O5 -179.6(14) . . . . ?
F7 C33 C34 C35 2(2) . . . . ?
F9 C33 C34 O5 -57.1(19) . . . . ?
F9 C33 C34 C35 124.5(16) . . . . ?
O2 C16 C15 C14 3(2) . . . . ?
O6 C36 C37 C42A -16.0(15) . . . . ?
O6 C36 C37 C38A 164.6(10) . . . . ?
O6 C36 C37 C42 8(2) . . . . ?
O6 C36 C37 C38 -163(2) . . . . ?
O6 C36 C35 C34 3(2) . . . . ?
O1 C14 C13 F2 -169.6(13) . . . . ?
O1 C14 C13 F1 -47.8(17) . . . . ?
O1 C14 C13 F3 72.8(16) . . . . ?
O4 C26 C25 C24 0(3) . . . . ?
O4 C26 C27 C28 29(2) . . . . ?
O4 C26 C27 C32 -151.8(15) . . . . ?
O3 C24 C23 F4 -61.4(19) . . . . ?
O3 C24 C23 F5 177.3(13) . . . . ?
O3 C24 C23 F6 55.5(18) . . . . ?
O3 C24 C25 C26 0(3) . . . . ?
N1 C1 C2 C3 -3(2) . . . . ?
N2 C11 C12 N1 -3.5(19) . . . . ?
N2 C11 C12 C4 175.3(13) . . . . ?
N2 C11 C7 C6 -175.9(14) . . . . ?
N2 C11 C7 C8 3(2) . . . . ?
N2 C10 C9 C8 -2(2) . . . . ?
C36 C37 C38A C39A 179.4(11) . . . . ?
C36 C37 C42 C41 -178(3) . . . . ?
C36 C37 C38 C39 177(3) . . . . ?
C36 C35 C34 O5 -7(2) . . . . ?
C36 C35 C34 C33 170.8(14) . . . . ?
C17 C16 C15 C14 -175.2(12) . . . . ?
C17 C22 C21 C20 0(2) . . . . ?
C17 C18 C19 C20 0(2) . . . . ?
C41A C42A C37 C36 -179.4(11) . . . . ?
C41A C42A C37 C38A 0.0 . . . . ?
C41A C42A C37 C42 77(4) . . . . ?
C41A C42A C37 C38 -27.9(19) . . . . ?
C41A C40 C41 C42 77(4) . . . . ?
C41A C40 C39 C38 -33(4) . . . . ?
C42A C41A C40 Cl3 -179.0(9) . . . . ?
C42A C41A C40 C39A 0.0 . . . . ?
C42A C41A C40 C41 -91(3) . . . . ?
C42A C41A C40 C39 34(2) . . . . ?
C42A C37 C38A C39A 0.0 . . . . ?
C42A C37 C42 C41 -90(5) . . . . ?
C42A C37 C38 C39 28(4) . . . . ?
C37 C36 C35 C34 -179.1(13) . . . . ?
C37 C38A C39A C40 0.0 . . . . ?
C37 C38 C39 C40 2(5) . . . . ?
C38A C37 C42 C41 23(4) . . . . ?
C38A C37 C38 C39 -90(5) . . . . ?
C38A C39A C40 Cl3 178.9(9) . . . . ?
C38A C39A C40 C41A 0.0 . . . . ?
C38A C39A C40 C41 25.0(18) . . . . ?
C38A C39A C40 C39 -91(4) . . . . ?
C39A C40 C41 C42 -24(4) . . . . ?
C39A C40 C39 C38 72(4) . . . . ?
C40 C41A C42A C37 0.0 . . . . ?
C40 C41 C42 C37 0(5) . . . . ?
C16 C17 C22 C21 -179.9(14) . . . . ?
C16 C17 C18 C19 179.9(13) . . . . ?
C16 C15 C14 O1 1(2) . . . . ?
C16 C15 C14 C13 178.2(13) . . . . ?
C15 C14 C13 F2 13(2) . . . . ?
C15 C14 C13 F1 134.6(14) . . . . ?
C15 C14 C13 F3 -104.8(15) . . . . ?
C22 C17 C16 O2 -163.6(12) . . . . ?
C22 C17 C16 C15 15.0(19) . . . . ?
C22 C17 C18 C19 -1(2) . . . . ?
C18 C17 C16 O2 15.1(18) . . . . ?
C18 C17 C16 C15 -166.2(13) . . . . ?
C18 C17 C22 C21 1(2) . . . . ?
C11 N2 C10 C9 1(2) . . . . ?
C35 C36 C37 C42A 165.9(11) . . . . ?
C35 C36 C37 C38A -13.5(16) . . . . ?
C35 C36 C37 C42 -170(2) . . . . ?
C35 C36 C37 C38 19(3) . . . . ?
C1 N1 C12 C11 -178.0(12) . . . . ?
C1 N1 C12 C4 3(2) . . . . ?
C10 N2 C11 C12 -176.3(12) . . . . ?
C10 N2 C11 C7 -1(2) . . . . ?
C28 C29 C30 Cl2 178.9(13) . . . . ?
C28 C29 C30 C31 -1(3) . . . . ?
C3 C4 C12 N1 -2(2) . . . . ?
C3 C4 C12 C11 179.6(13) . . . . ?
C3 C4 C5 C6 -177.4(17) . . . . ?
C4 C3 C2 C1 5(2) . . . . ?
C12 N1 C1 C2 -1(2) . . . . ?
C12 C11 C7 C6 -1(2) . . . . ?
C12 C11 C7 C8 177.7(14) . . . . ?
C12 C4 C5 C6 4(3) . . . . ?
C23 C24 C25 C26 -177.7(14) . . . . ?
C29 C28 C27 C26 -178.5(14) . . . . ?
C29 C28 C27 C32 2(2) . . . . ?
C5 C4 C12 N1 177.5(14) . . . . ?
C5 C4 C12 C11 -1(2) . . . . ?
C5 C6 C7 C11 3(3) . . . . ?
C5 C6 C7 C8 -175.5(18) . . . . ?
C32 C31 C30 Cl2 179.5(15) . . . . ?
C32 C31 C30 C29 -1(3) . . . . ?
C31 C32 C27 C28 -4(2) . . . . ?
C31 C32 C27 C26 176.9(15) . . . . ?
C25 C26 C27 C28 -147.0(15) . . . . ?
C25 C26 C27 C32 32(2) . . . . ?
C25 C24 C23 F4 116.5(17) . . . . ?
C25 C24 C23 F5 -5(2) . . . . ?
C25 C24 C23 F6 -126.6(16) . . . . ?
C19 C20 C21 C22 -1(2) . . . . ?
C7 C11 C12 N1 -178.8(12) . . . . ?
C7 C11 C12 C4 0.0(19) . . . . ?
C7 C6 C5 C4 -4(3) . . . . ?
C7 C8 C9 C10 3(3) . . . . ?
C21 C20 C19 C18 1(2) . . . . ?
C27 C28 C29 C30 0(2) . . . . ?
C27 C26 C25 C24 175.5(15) . . . . ?
C27 C32 C31 C30 3(3) . . . . ?
C2 C3 C4 C12 -2(2) . . . . ?
C2 C3 C4 C5 178.5(15) . . . . ?
C9 C8 C7 C11 -3(2) . . . . ?
C9 C8 C7 C6 175.2(16) . . . . ?
C41 C40 C39 C38 -10(5) . . . . ?
C42 C37 C38A C39A -22.7(18) . . . . ?
C42 C37 C38 C39 5(5) . . . . ?
C38 C37 C38A C39A 74(4) . . . . ?
C38 C37 C42 C41 -6(5) . . . . ?
C39 C40 C41 C42 9(5) . . . . ?


_exptl_crystal_preparation       Luminescent
