#------------------------------------------------------------------------------
#$Date: 2016-03-26 00:26:42 +0200 (Sat, 26 Mar 2016) $
#$Revision: 180079 $
#$URL: svn://www.crystallography.net/cod/cif/7/05/25/7052550.cif $
#------------------------------------------------------------------------------
#
# This file is available in the Crystallography Open Database (COD),
# http://www.crystallography.net/
#
# All data on this site have been placed in the public domain by the
# contributors.
#
data_7052550
loop_
_publ_author_name
'Yang, Xiaoping'
'Jones, Richard A.'
'Oye, Michael M.'
'Wiester, Michael'
'Lai, Rachel J.'
_publ_section_title
;
 Influence of metal--ligand ratio on benzimidazole based luminescent
 lanthanide complexes: 3-D network structures and chloride anion
 binding
;
_journal_issue                   2
_journal_name_full               'New Journal of Chemistry'
_journal_page_first              310
_journal_paper_doi               10.1039/c0nj00518e
_journal_volume                  35
_journal_year                    2011
_chemical_formula_moiety         'C29 H26 Br2 Cl3 Eu N4 O5, 2(O)'
_chemical_formula_sum            'C29 H26 Br2 Cl3 Eu N4 O7'
_chemical_formula_weight         960.67
_chemical_name_systematic
;
?
;
_space_group_IT_number           2
_symmetry_cell_setting           triclinic
_symmetry_space_group_name_Hall  '-P 1'
_symmetry_space_group_name_H-M   'P -1'
_atom_sites_solution_hydrogens   geom
_atom_sites_solution_primary     direct
_atom_sites_solution_secondary   difmap
_audit_creation_method           SHELXL-97
_cell_angle_alpha                93.16(3)
_cell_angle_beta                 94.13(4)
_cell_angle_gamma                92.89(3)
_cell_formula_units_Z            4
_cell_length_a                   8.7927(18)
_cell_length_b                   18.011(4)
_cell_length_c                   26.437(5)
_cell_measurement_reflns_used    13017
_cell_measurement_temperature    153(2)
_cell_measurement_theta_max      27.48
_cell_measurement_theta_min      2.91
_cell_volume                     4163.3(15)
_computing_cell_refinement       'Collect software, Nonius B.V. 1998'
_computing_data_collection       'Collect software, Nonius B.V. 1998'
_computing_data_reduction
;
DENZO and Scalepack (Otwinoski and Minor, 1997)
;
_computing_molecular_graphics    'XL SHELXTL/PC, Siemens Analytical'
_computing_structure_refinement  'XL SHELXTL/PC, Siemens Analytical'
_computing_structure_solution
;

SIR97 - Altomare A., Burla M.C., Camalli M., Cascarano G.L., Giacovazzo C.,
Guagliardi A., Moliterni A.G.G., Polidori G.,Spagna R.
;
_diffrn_ambient_temperature      153(2)
_diffrn_measured_fraction_theta_full 0.944
_diffrn_measured_fraction_theta_max 0.981
_diffrn_measurement_device_type  CCD
_diffrn_measurement_method       ω-scans
_diffrn_radiation_monochromator  graphite
_diffrn_radiation_source         'fine-focus sealed tube'
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_reflns_av_R_equivalents  0.0910
_diffrn_reflns_av_sigmaI/netI    0.2276
_diffrn_reflns_limit_h_max       10
_diffrn_reflns_limit_h_min       -10
_diffrn_reflns_limit_k_max       21
_diffrn_reflns_limit_k_min       -21
_diffrn_reflns_limit_l_max       31
_diffrn_reflns_limit_l_min       -31
_diffrn_reflns_number            24249
_diffrn_reflns_theta_full        25.00
_diffrn_reflns_theta_max         25.00
_diffrn_reflns_theta_min         2.94
_exptl_absorpt_coefficient_mu    3.660
_exptl_absorpt_correction_T_max  0.8103
_exptl_absorpt_correction_T_min  0.5588
_exptl_absorpt_correction_type   gaussian
_exptl_absorpt_process_details
;
Absorption correction given as Gaussian
;
_exptl_crystal_colour            Yellow
_exptl_crystal_density_diffrn    1.533
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       Block
_exptl_crystal_F_000             1872
_exptl_crystal_size_max          0.18
_exptl_crystal_size_mid          0.15
_exptl_crystal_size_min          0.06
_refine_diff_density_max         1.288
_refine_diff_density_min         -1.068
_refine_diff_density_rms         0.163
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.009
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     842
_refine_ls_number_reflns         14396
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      1.009
_refine_ls_R_factor_all          0.1730
_refine_ls_R_factor_gt           0.0917
_refine_ls_shift/su_max          0.000
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'calc w=1/[σ²(Fo²)+(0.0945P)²+3.6836P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1697
_refine_ls_wR_factor_ref         0.1951
_reflns_number_gt                5930
_reflns_number_total             14396
_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            C0NJ00518E.TXT
_cod_data_source_block           complex-5
_cod_depositor_comments
;
The following automatic conversions were performed:
'_symmetry_cell_setting' value 'Triclinic' changed to 'triclinic'
according to '/home/saulius/struct/CIF-dictionaries/cif_core.dic'
dictionary named 'cif_core.dic' version 2.4.1 from
2010-06-29.

'_exptl_absorpt_correction_type' value 'Gaussian' changed to
'gaussian' according to
'/home/saulius/struct/CIF-dictionaries/cif_core.dic' dictionary named
'cif_core.dic' version 2.4.1 from 2010-06-29.

Automatic conversion script
Id: cif_fix_enum 1555 2011-01-17 13:19:09Z saulius 
;
_cod_original_cell_volume        4163.2(15)
_cod_original_sg_symbol_H-M      P-1
_cod_database_code               7052550
loop_
_symmetry_equiv_pos_as_xyz
'x, y, z'
'-x, -y, -z'
loop_
_atom_site_label
_atom_site_type_symbol
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_U_iso_or_equiv
_atom_site_adp_type
_atom_site_occupancy
_atom_site_symmetry_multiplicity
_atom_site_calc_flag
_atom_site_refinement_flags
_atom_site_disorder_assembly
_atom_site_disorder_group
Eu1 Eu 0.96024(10) 0.73546(5) 0.02588(3) 0.0479(3) Uani 1 1 d U . .
Br1 Br 1.0755(2) 0.40465(11) 0.19072(7) 0.0642(6) Uani 1 1 d U . .
Br1' Br 0.9537(4) 1.02475(14) -0.18609(9) 0.1066(10) Uani 1 1 d U . .
Cl1 Cl 0.7701(5) 0.6382(3) -0.03140(17) 0.0590(12) Uani 1 1 d U . .
Cl2 Cl 1.2238(5) 0.7749(2) 0.08836(16) 0.0570(12) Uani 1 1 d U . .
Cl3 Cl 0.7189(5) 0.8136(2) 0.06343(17) 0.0593(13) Uani 1 1 d U . .
O1 O 1.0663(13) 0.6000(6) 0.0484(4) 0.054(3) Uani 1 1 d U . .
O2 O 0.8944(12) 0.6848(6) 0.0977(4) 0.049(3) Uani 1 1 d U . .
H2B H 0.8327 0.7143 0.1166 0.059 Uiso 1 1 calc R . .
O3 O 1.1544(13) 0.7053(6) -0.0311(4) 0.054(3) Uani 1 1 d U . .
H3B H 1.2007 0.7453 -0.0230 0.065 Uiso 1 1 calc R . .
O1' O 0.8381(14) 0.7972(7) -0.0761(4) 0.060(3) Uani 1 1 d U . .
O2' O 1.0226(13) 0.8510(6) -0.0001(4) 0.060(3) Uani 1 1 d U . .
H2'B H 1.0745 0.8801 0.0265 0.072 Uiso 1 1 calc R . .
N1 N 0.7100(15) 0.6441(7) 0.2349(5) 0.046(4) Uani 1 1 d U . .
H1A H 0.7215 0.6072 0.2539 0.055 Uiso 1 1 calc R . .
N2 N 0.7234(15) 0.7132(7) 0.1697(5) 0.044(3) Uani 1 1 d U . .
N1' N 1.2982(16) 1.0448(8) -0.0010(5) 0.058(4) Uani 1 1 d U . .
H1'A H 1.2945 1.0786 -0.0227 0.070 Uiso 1 1 calc R . .
N2' N 1.2521(16) 0.9431(8) 0.0371(5) 0.050(4) Uani 1 1 d U . .
C1 C 1.171(2) 0.5565(9) 0.0219(6) 0.053(5) Uani 1 1 d U . .
H1B H 1.1237 0.5080 0.0124 0.080 Uiso 1 1 calc R . .
H1C H 1.2615 0.5516 0.0436 0.080 Uiso 1 1 calc R . .
H1D H 1.1966 0.5806 -0.0080 0.080 Uiso 1 1 calc R . .
C2 C 1.0218(18) 0.5728(9) 0.0931(6) 0.039(4) Uani 1 1 d U . .
C3 C 1.0573(19) 0.5099(9) 0.1135(6) 0.042(4) Uani 1 1 d U . .
H3A H 1.1189 0.4774 0.0970 0.051 Uiso 1 1 calc R . .
C4 C 1.0037(18) 0.4926(9) 0.1590(6) 0.043(4) Uani 1 1 d U . .
C5 C 0.914(2) 0.5361(10) 0.1852(6) 0.052(5) Uani 1 1 d U . .
H5A H 0.8811 0.5228 0.2163 0.062 Uiso 1 1 calc R . .
C6 C 0.8700(18) 0.6026(8) 0.1640(6) 0.040(4) Uani 1 1 d U . .
C7 C 0.925(2) 0.6235(10) 0.1179(6) 0.049(4) Uani 1 1 d U . .
C8 C 0.7718(19) 0.6516(9) 0.1896(6) 0.043(4) Uani 1 1 d U . .
C9 C 0.627(2) 0.7040(10) 0.2452(6) 0.051(5) Uani 1 1 d U . .
C10 C 0.539(2) 0.7213(11) 0.2856(7) 0.068(6) Uani 1 1 d U . .
H10C H 0.5279 0.6899 0.3119 0.081 Uiso 1 1 calc R . .
C11 C 0.471(2) 0.7872(11) 0.2838(7) 0.063(5) Uani 1 1 d U . .
H11B H 0.4160 0.8020 0.3111 0.076 Uiso 1 1 calc R . .
C12 C 0.477(2) 0.8345(11) 0.2431(7) 0.062(5) Uani 1 1 d U . .
H12A H 0.4293 0.8794 0.2441 0.075 Uiso 1 1 calc R . .
C13 C 0.558(2) 0.8131(10) 0.2007(7) 0.058(5) Uani 1 1 d U . .
H13A H 0.5594 0.8412 0.1722 0.069 Uiso 1 1 calc R . .
C14 C 0.631(2) 0.7502(10) 0.2038(6) 0.048(4) Uani 1 1 d U . .
C15 C 1.146(2) 0.6927(11) -0.0846(7) 0.071(6) Uani 1 1 d U . .
H1WA H 1.2458 0.6830 -0.0952 0.106 Uiso 1 1 calc R . .
H1WB H 1.1099 0.7359 -0.1003 0.106 Uiso 1 1 calc R . .
H1WC H 1.0773 0.6505 -0.0945 0.106 Uiso 1 1 calc R . .
C1' C 0.744(2) 0.7672(10) -0.1181(7) 0.062(5) Uani 1 1 d U . .
H1'B H 0.7972 0.7709 -0.1484 0.093 Uiso 1 1 calc R . .
H1'C H 0.6528 0.7944 -0.1213 0.093 Uiso 1 1 calc R . .
H1'D H 0.7169 0.7159 -0.1134 0.093 Uiso 1 1 calc R . .
C2' C 0.911(2) 0.8637(10) -0.0827(7) 0.054(5) Uani 1 1 d U . .
C3' C 0.896(2) 0.9034(11) -0.1255(8) 0.071(6) Uani 1 1 d U . .
H3'A H 0.8296 0.8868 -0.1532 0.086 Uiso 1 1 calc R . .
C4' C 0.985(2) 0.9694(10) -0.1259(7) 0.056(5) Uani 1 1 d U . .
C5' C 1.079(2) 0.9985(11) -0.0892(7) 0.061(5) Uani 1 1 d U . .
H5'A H 1.1286 1.0448 -0.0917 0.074 Uiso 1 1 calc R . .
C6' C 1.104(2) 0.9572(9) -0.0442(6) 0.048(4) Uani 1 1 d U . .
C7' C 1.008(2) 0.8896(11) -0.0411(7) 0.065(5) Uani 1 1 d U . .
C8' C 1.2124(19) 0.9811(9) -0.0045(6) 0.047(4) Uani 1 1 d U . .
C9' C 1.394(2) 1.0479(11) 0.0431(8) 0.067(5) Uani 1 1 d U . .
C10' C 1.502(2) 1.1016(11) 0.0649(7) 0.065(5) Uani 1 1 d U . .
H10A H 1.5185 1.1462 0.0495 0.078 Uiso 1 1 calc R . .
C11' C 1.585(2) 1.0883(11) 0.1099(7) 0.071(6) Uani 1 1 d U . .
H11D H 1.6596 1.1226 0.1247 0.085 Uiso 1 1 calc R . .
C12' C 1.550(3) 1.0198(12) 0.1329(8) 0.080(6) Uani 1 1 d U . .
H12C H 1.6023 1.0116 0.1638 0.095 Uiso 1 1 calc R . .
C13' C 1.444(2) 0.9649(11) 0.1118(7) 0.069(6) Uani 1 1 d U . .
H13D H 1.4253 0.9203 0.1271 0.082 Uiso 1 1 calc R . .
C14' C 1.370(2) 0.9814(10) 0.0667(7) 0.056(5) Uani 1 1 d U . .
Eu2 Eu 0.44443(12) 0.42473(6) 0.31845(4) 0.0624(4) Uani 1 1 d U . .
Br1M Br 0.5049(5) 0.26457(18) 0.58417(10) 0.1528(15) Uani 1 1 d U . .
Br1N Br 0.5930(2) 0.55413(12) 0.05738(7) 0.0649(6) Uani 1 1 d U . .
Cl1M Cl 0.2715(7) 0.3093(3) 0.2742(2) 0.0861(17) Uani 1 1 d U . .
Cl2M Cl 0.7058(6) 0.5218(3) 0.31831(17) 0.0665(14) Uani 1 1 d U . .
Cl3M Cl 0.1987(6) 0.5014(3) 0.35591(18) 0.0757(15) Uani 1 1 d U . .
O1M O 0.3500(17) 0.3246(8) 0.3962(5) 0.082(4) Uani 1 1 d U . .
O2M O 0.5305(15) 0.4432(7) 0.4016(4) 0.071(4) Uani 1 1 d U . .
H2MA H 0.5848 0.4888 0.4074 0.085 Uiso 1 1 calc R . .
O1N O 0.5362(13) 0.4091(7) 0.2241(4) 0.060(3) Uani 1 1 d U . .
O2N O 0.3676(13) 0.5054(6) 0.2618(4) 0.057(3) Uani 1 1 d U . .
H2NB H 0.2915 0.5358 0.2718 0.069 Uiso 1 1 calc R . .
O3' O 0.6415(16) 0.3368(7) 0.3208(5) 0.096(4) Uani 1 1 d U . .
H1BB H 0.7297 0.3509 0.3055 0.144 Uiso 1 1 calc R . .
N1M N 0.8078(19) 0.5244(9) 0.5281(6) 0.070(5) Uani 1 1 d U . .
H1MA H 0.8080 0.5101 0.5586 0.084 Uiso 1 1 calc R . .
N2M N 0.7501(18) 0.5319(9) 0.4485(5) 0.063(4) Uani 1 1 d U . .
N1N N 0.2129(15) 0.6905(7) 0.1929(5) 0.045(3) Uani 1 1 d U . .
H1NA H 0.2282 0.7053 0.1632 0.053 Uiso 1 1 calc R . .
N2N N 0.2151(16) 0.6229(8) 0.2578(5) 0.050(4) Uani 1 1 d U . .
C1M C 0.249(3) 0.2592(13) 0.3902(9) 0.098(8) Uani 1 1 d U . .
H1MB H 0.1803 0.2599 0.4167 0.147 Uiso 1 1 calc R . .
H1MC H 0.3079 0.2158 0.3920 0.147 Uiso 1 1 calc R . .
H1MD H 0.1920 0.2581 0.3578 0.147 Uiso 1 1 calc R . .
C2M C 0.432(2) 0.3421(11) 0.4407(7) 0.062(5) Uani 1 1 d U . .
C3M C 0.416(3) 0.2975(12) 0.4823(8) 0.081(6) Uani 1 1 d U . .
H3MA H 0.3512 0.2551 0.4816 0.097 Uiso 1 1 calc R . .
C4M C 0.513(3) 0.3257(12) 0.5257(7) 0.077(6) Uani 1 1 d U . .
C5M C 0.605(3) 0.3856(13) 0.5294(8) 0.083(6) Uani 1 1 d U . .
H5MA H 0.6616 0.3996 0.5597 0.099 Uiso 1 1 calc R . .
C6M C 0.615(2) 0.4284(12) 0.4870(7) 0.068(6) Uani 1 1 d U . .
C7M C 0.526(2) 0.4080(12) 0.4439(8) 0.069(6) Uani 1 1 d U . .
C8M C 0.719(2) 0.4910(12) 0.4888(7) 0.066(5) Uani 1 1 d U . .
C9M C 0.899(2) 0.5842(12) 0.5145(7) 0.065(5) Uani 1 1 d U . .
C10M C 1.001(2) 0.6307(12) 0.5401(8) 0.077(6) Uani 1 1 d U . .
H10B H 1.0240 0.6274 0.5748 0.093 Uiso 1 1 calc R . .
C11M C 1.072(3) 0.6832(13) 0.5143(8) 0.090(7) Uani 1 1 d U . .
H11C H 1.1492 0.7145 0.5312 0.108 Uiso 1 1 calc R . .
C12M C 1.033(3) 0.6920(13) 0.4625(8) 0.088(7) Uani 1 1 d U . .
H12D H 1.0775 0.7305 0.4458 0.106 Uiso 1 1 calc R . .
C13M C 0.926(3) 0.6415(14) 0.4373(9) 0.092(7) Uani 1 1 d U . .
H13C H 0.8994 0.6442 0.4027 0.111 Uiso 1 1 calc R . .
C14M C 0.860(2) 0.5879(11) 0.4640(7) 0.067(5) Uani 1 1 d U . .
C1N C 0.612(2) 0.3471(11) 0.2019(8) 0.078(6) Uani 1 1 d U . .
H1NB H 0.5604 0.3307 0.1698 0.117 Uiso 1 1 calc R . .
H1NC H 0.6113 0.3069 0.2243 0.117 Uiso 1 1 calc R . .
H1ND H 0.7162 0.3625 0.1971 0.117 Uiso 1 1 calc R . .
C2N C 0.506(2) 0.4662(10) 0.1923(7) 0.055(5) Uani 1 1 d U . .
C3N C 0.553(2) 0.4752(10) 0.1459(6) 0.054(5) Uani 1 1 d U . .
H3NA H 0.6152 0.4410 0.1313 0.065 Uiso 1 1 calc R . .
C4N C 0.5082(19) 0.5358(10) 0.1201(6) 0.050(4) Uani 1 1 d U . .
C5N C 0.4192(19) 0.5868(9) 0.1400(6) 0.045(4) Uani 1 1 d U . .
H5NA H 0.3918 0.6270 0.1213 0.055 Uiso 1 1 calc R . .
C6N C 0.3654(19) 0.5801(9) 0.1903(6) 0.044(4) Uani 1 1 d U . .
C7N C 0.414(2) 0.5165(10) 0.2158(6) 0.049(4) Uani 1 1 d U . .
C8N C 0.2682(19) 0.6316(10) 0.2119(6) 0.049(4) Uani 1 1 d U . .
C9N C 0.127(2) 0.7252(9) 0.2272(6) 0.049(4) Uani 1 1 d U . .
C10N C 0.048(2) 0.7901(11) 0.2263(7) 0.061(5) Uani 1 1 d U . .
H10D H 0.0460 0.8188 0.1981 0.073 Uiso 1 1 calc R . .
C11N C -0.029(2) 0.8113(11) 0.2691(7) 0.065(5) Uani 1 1 d U . .
H11A H -0.0824 0.8545 0.2698 0.078 Uiso 1 1 calc R . .
C12N C -0.023(2) 0.7663(11) 0.3109(7) 0.068(6) Uani 1 1 d U . .
H12B H -0.0726 0.7804 0.3396 0.082 Uiso 1 1 calc R . .
C13N C 0.053(2) 0.7028(11) 0.3100(7) 0.065(5) Uani 1 1 d U . .
H13B H 0.0531 0.6726 0.3374 0.078 Uiso 1 1 calc R . .
C14N C 0.128(2) 0.6838(10) 0.2686(6) 0.052(5) Uani 1 1 d U . .
C16 C 0.641(5) 0.278(2) 0.3390(15) 0.208(18) Uiso 1 1 d . . .
H16A H 0.7359 0.2550 0.3337 0.312 Uiso 1 1 calc R . .
H16B H 0.5580 0.2460 0.3231 0.312 Uiso 1 1 calc R . .
H16C H 0.6297 0.2839 0.3748 0.312 Uiso 1 1 calc R . .
O1W O 0.9416(17) 0.3697(8) 0.3219(5) 0.090(4) Uani 1 1 d U . .
O2W O 1.5468(16) 1.2775(8) 0.0109(5) 0.080(4) Uani 1 1 d U . .
O3W O 0.428(7) 0.113(3) 0.262(2) 0.23(2) Uani 0.50 1 d PU . .
O3W' O 1.384(8) 0.880(4) 0.549(2) 0.24(3) Uani 0.50 1 d PU . .
O4W O 0.894(5) 1.196(2) 0.2262(15) 0.138(13) Uani 0.50 1 d PU . .
O4W' O 0.818(5) 1.111(2) 0.2809(17) 0.158(16) Uani 0.50 1 d PU . .
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'
Cl Cl 0.1484 0.1585 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Br Br -0.2901 2.4595 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Eu Eu -0.1578 3.6682 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
loop_
_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 O2' 137.6(4) . . ?
O2 Eu1 O3 131.4(4) . . ?
O2' Eu1 O3 79.9(4) . . ?
O2 Eu1 Cl1 91.6(3) . . ?
O2' Eu1 Cl1 121.7(3) . . ?
O3 Eu1 Cl1 87.4(3) . . ?
O2 Eu1 O1 61.2(4) . . ?
O2' Eu1 O1 145.5(4) . . ?
O3 Eu1 O1 71.5(3) . . ?
Cl1 Eu1 O1 76.5(3) . . ?
O2 Eu1 Cl2 80.5(3) . . ?
O2' Eu1 Cl2 78.7(3) . . ?
O3 Eu1 Cl2 79.4(3) . . ?
Cl1 Eu1 Cl2 153.44(15) . . ?
O1 Eu1 Cl2 77.5(3) . . ?
O2 Eu1 Cl3 71.5(3) . . ?
O2' Eu1 Cl3 80.5(3) . . ?
O3 Eu1 Cl3 157.0(3) . . ?
Cl1 Eu1 Cl3 92.94(15) . . ?
O1 Eu1 Cl3 130.9(2) . . ?
Cl2 Eu1 Cl3 108.18(15) . . ?
O2 Eu1 O1' 145.1(4) . . ?
O2' Eu1 O1' 55.1(4) . . ?
O3 Eu1 O1' 76.8(3) . . ?
Cl1 Eu1 O1' 66.6(2) . . ?
O1 Eu1 O1' 131.8(3) . . ?
Cl2 Eu1 O1' 130.8(2) . . ?
Cl3 Eu1 O1' 82.3(2) . . ?
O2 Eu1 C7 16.7(4) . . ?
O2' Eu1 C7 149.5(4) . . ?
O3 Eu1 C7 115.2(4) . . ?
Cl1 Eu1 C7 86.7(3) . . ?
O1 Eu1 C7 44.5(4) . . ?
Cl2 Eu1 C7 78.4(3) . . ?
Cl3 Eu1 C7 87.7(3) . . ?
O1' Eu1 C7 150.8(4) . . ?
C2 O1 C1 115.9(12) . . ?
C2 O1 Eu1 115.4(9) . . ?
C1 O1 Eu1 128.5(9) . . ?
C7 O2 Eu1 133.1(11) . . ?
C7 O2 H2B 113.5 . . ?
Eu1 O2 H2B 113.5 . . ?
C15 O3 Eu1 131.1(11) . . ?
C15 O3 H3B 109.5 . . ?
Eu1 O3 H3B 90.4 . . ?
C2' O1' C1' 115.2(13) . . ?
C2' O1' Eu1 109.9(10) . . ?
C1' O1' Eu1 134.1(9) . . ?
C7' O2' Eu1 139.9(12) . . ?
C7' O2' H2'B 110.1 . . ?
Eu1 O2' H2'B 110.1 . . ?
C9 N1 C8 109.1(13) . . ?
C9 N1 H1A 125.4 . . ?
C8 N1 H1A 125.4 . . ?
C8 N2 C14 109.5(12) . . ?
C8' N1' C9' 109.4(15) . . ?
C8' N1' H1'A 125.3 . . ?
C9' N1' H1'A 125.3 . . ?
C8' N2' C14' 110.5(14) . . ?
O1 C1 H1B 109.5 . . ?
O1 C1 H1C 109.5 . . ?
H1B C1 H1C 109.5 . . ?
O1 C1 H1D 109.5 . . ?
H1B C1 H1D 109.5 . . ?
H1C C1 H1D 109.5 . . ?
C3 C2 O1 128.4(15) . . ?
C3 C2 C7 120.8(15) . . ?
O1 C2 C7 110.8(13) . . ?
C2 C3 C4 120.1(16) . . ?
C2 C3 H3A 120.0 . . ?
C4 C3 H3A 120.0 . . ?
C5 C4 C3 123.7(15) . . ?
C5 C4 Br1 117.6(12) . . ?
C3 C4 Br1 118.5(13) . . ?
C4 C5 C6 117.9(15) . . ?
C4 C5 H5A 121.1 . . ?
C6 C5 H5A 121.1 . . ?
C7 C6 C5 120.6(16) . . ?
C7 C6 C8 118.4(14) . . ?
C5 C6 C8 121.0(14) . . ?
O2 C7 C6 123.6(16) . . ?
O2 C7 C2 119.5(14) . . ?
C6 C7 C2 116.9(15) . . ?
O2 C7 Eu1 30.2(7) . . ?
C6 C7 Eu1 153.8(13) . . ?
C2 C7 Eu1 89.3(9) . . ?
N2 C8 N1 108.8(14) . . ?
N2 C8 C6 122.5(14) . . ?
N1 C8 C6 128.7(15) . . ?
N1 C9 C10 131.3(16) . . ?
N1 C9 C14 108.3(15) . . ?
C10 C9 C14 120.2(18) . . ?
C11 C10 C9 115.6(17) . . ?
C11 C10 H10C 122.2 . . ?
C9 C10 H10C 122.2 . . ?
C10 C11 C12 124.1(18) . . ?
C10 C11 H11B 118.0 . . ?
C12 C11 H11B 118.0 . . ?
C11 C12 C13 119.3(18) . . ?
C11 C12 H12A 120.3 . . ?
C13 C12 H12A 120.3 . . ?
C14 C13 C12 116.2(17) . . ?
C14 C13 H13A 121.9 . . ?
C12 C13 H13A 121.9 . . ?
C13 C14 C9 124.3(17) . . ?
C13 C14 N2 131.4(15) . . ?
C9 C14 N2 104.3(15) . . ?
O3 C15 H1WA 109.5 . . ?
O3 C15 H1WB 109.5 . . ?
H1WA C15 H1WB 109.5 . . ?
O3 C15 H1WC 109.5 . . ?
H1WA C15 H1WC 109.5 . . ?
H1WB C15 H1WC 109.5 . . ?
O1' C1' H1'B 109.5 . . ?
O1' C1' H1'C 109.5 . . ?
H1'B C1' H1'C 109.5 . . ?
O1' C1' H1'D 109.5 . . ?
H1'B C1' H1'D 109.5 . . ?
H1'C C1' H1'D 109.5 . . ?
O1' C2' C3' 125.6(18) . . ?
O1' C2' C7' 113.2(15) . . ?
C3' C2' C7' 121.2(17) . . ?
C2' C3' C4' 117.3(19) . . ?
C2' C3' H3'A 121.3 . . ?
C4' C3' H3'A 121.3 . . ?
C5' C4' C3' 126.4(17) . . ?
C5' C4' Br1' 118.0(13) . . ?
C3' C4' Br1' 115.4(15) . . ?
C4' C5' C6' 118.3(17) . . ?
C4' C5' H5'A 120.9 . . ?
C6' C5' H5'A 120.9 . . ?
C8' C6' C5' 122.3(15) . . ?
C8' C6' C7' 120.6(15) . . ?
C5' C6' C7' 117.1(17) . . ?
O2' C7' C2' 120.9(17) . . ?
O2' C7' C6' 119.6(18) . . ?
C2' C7' C6' 119.3(16) . . ?
N1' C8' N2' 107.3(15) . . ?
N1' C8' C6' 126.3(15) . . ?
N2' C8' C6' 126.4(15) . . ?
N1' C9' C10' 132.6(18) . . ?
N1' C9' C14' 107.6(18) . . ?
C10' C9' C14' 119.7(19) . . ?
C11' C10' C9' 119.5(18) . . ?
C11' C10' H10A 120.2 . . ?
C9' C10' H10A 120.2 . . ?
C10' C11' C12' 117.7(19) . . ?
C10' C11' H11D 121.2 . . ?
C12' C11' H11D 121.2 . . ?
C13' C12' C11' 124(2) . . ?
C13' C12' H12C 117.9 . . ?
C11' C12' H12C 117.9 . . ?
C14' C13' C12' 114.8(18) . . ?
C14' C13' H13D 122.6 . . ?
C12' C13' H13D 122.6 . . ?
C13' C14' N2' 130.8(16) . . ?
C13' C14' C9' 124.1(19) . . ?
N2' C14' C9' 104.9(16) . . ?
O2N Eu2 O2M 130.9(4) . . ?
O2N Eu2 O3' 133.3(4) . . ?
O2M Eu2 O3' 80.9(5) . . ?
O2N Eu2 Cl1M 94.8(3) . . ?
O2M Eu2 Cl1M 127.8(3) . . ?
O3' Eu2 Cl1M 83.8(4) . . ?
O2N Eu2 O1N 61.5(4) . . ?
O2M Eu2 O1N 143.2(4) . . ?
O3' Eu2 O1N 73.2(4) . . ?
Cl1M Eu2 O1N 75.2(3) . . ?
O2N Eu2 Cl2M 78.3(3) . . ?
O2M Eu2 Cl2M 75.3(3) . . ?
O3' Eu2 Cl2M 79.5(3) . . ?
Cl1M Eu2 Cl2M 148.75(17) . . ?
O1N Eu2 Cl2M 74.7(3) . . ?
O2N Eu2 Cl3M 71.2(3) . . ?
O2M Eu2 Cl3M 80.3(4) . . ?
O3' Eu2 Cl3M 155.5(3) . . ?
Cl1M Eu2 Cl3M 95.57(18) . . ?
O1N Eu2 Cl3M 130.5(3) . . ?
Cl2M Eu2 Cl3M 110.43(16) . . ?
O2N Eu2 O1M 145.7(4) . . ?
O2M Eu2 O1M 57.7(4) . . ?
O3' Eu2 O1M 77.2(4) . . ?
Cl1M Eu2 O1M 70.3(3) . . ?
O1N Eu2 O1M 136.4(4) . . ?
Cl2M Eu2 O1M 130.0(3) . . ?
Cl3M Eu2 O1M 79.5(3) . . ?
O2N Eu2 C7N 18.3(4) . . ?
O2M Eu2 C7N 139.6(4) . . ?
O3' Eu2 C7N 115.0(4) . . ?
Cl1M Eu2 C7N 91.8(3) . . ?
O1N Eu2 C7N 43.7(4) . . ?
Cl2M Eu2 C7N 72.0(3) . . ?
Cl3M Eu2 C7N 89.5(3) . . ?
O1M Eu2 C7N 157.7(4) . . ?
C2M O1M C1M 120.3(16) . . ?
C2M O1M Eu2 110.3(11) . . ?
C1M O1M Eu2 128.8(12) . . ?
C7M O2M Eu2 138.5(13) . . ?
C7M O2M H2MA 110.7 . . ?
Eu2 O2M H2MA 110.7 . . ?
C2N O1N C1N 115.8(14) . . ?
C2N O1N Eu2 116.7(10) . . ?
C1N O1N Eu2 127.4(10) . . ?
C7N O2N Eu2 129.9(11) . . ?
C7N O2N H2NB 115.1 . . ?
Eu2 O2N H2NB 115.1 . . ?
C16 O3' Eu2 129(2) . . ?
C16 O3' H1BB 115.7 . . ?
Eu2 O3' H1BB 115.7 . . ?
C8M N1M C9M 113.5(17) . . ?
C8M N1M H1MA 123.3 . . ?
C9M N1M H1MA 123.3 . . ?
C8M N2M C14M 109.4(16) . . ?
C8N N1N C9N 109.7(14) . . ?
C8N N1N H1NA 125.1 . . ?
C9N N1N H1NA 125.1 . . ?
C8N N2N C14N 107.2(13) . . ?
O1M C1M H1MB 109.5 . . ?
O1M C1M H1MC 109.5 . . ?
H1MB C1M H1MC 109.5 . . ?
O1M C1M H1MD 109.5 . . ?
H1MB C1M H1MD 109.5 . . ?
H1MC C1M H1MD 109.5 . . ?
O1M C2M C7M 117.0(16) . . ?
O1M C2M C3M 120.5(18) . . ?
C7M C2M C3M 122.5(19) . . ?
C2M C3M C4M 111.6(19) . . ?
C2M C3M H3MA 124.2 . . ?
C4M C3M H3MA 124.2 . . ?
C5M C4M C3M 127(2) . . ?
C5M C4M Br1M 118.6(17) . . ?
C3M C4M Br1M 114.1(16) . . ?
C4M C5M C6M 119(2) . . ?
C4M C5M H5MA 120.5 . . ?
C6M C5M H5MA 120.5 . . ?
C7M C6M C5M 119(2) . . ?
C7M C6M C8M 120.5(18) . . ?
C5M C6M C8M 121(2) . . ?
O2M C7M C6M 123.7(19) . . ?
O2M C7M C2M 115.5(18) . . ?
C6M C7M C2M 120.6(18) . . ?
N1M C8M N2M 104.2(17) . . ?
N1M C8M C6M 130.4(18) . . ?
N2M C8M C6M 125.4(19) . . ?
C10M C9M C14M 123(2) . . ?
C10M C9M N1M 133.3(19) . . ?
C14M C9M N1M 103.4(18) . . ?
C9M C10M C11M 118(2) . . ?
C9M C10M H10B 121.1 . . ?
C11M C10M H10B 121.1 . . ?
C10M C11M C12M 122(2) . . ?
C10M C11M H11C 119.1 . . ?
C12M C11M H11C 119.1 . . ?
C13M C12M C11M 118(2) . . ?
C13M C12M H12D 121.0 . . ?
C11M C12M H12D 121.0 . . ?
C14M C13M C12M 119(2) . . ?
C14M C13M H13C 120.7 . . ?
C12M C13M H13C 120.7 . . ?
C13M C14M C9M 120(2) . . ?
C13M C14M N2M 130.2(19) . . ?
C9M C14M N2M 109.5(17) . . ?
O1N C1N H1NB 109.5 . . ?
O1N C1N H1NC 109.5 . . ?
H1NB C1N H1NC 109.5 . . ?
O1N C1N H1ND 109.5 . . ?
H1NB C1N H1ND 109.5 . . ?
H1NC C1N H1ND 109.5 . . ?
C3N C2N O1N 128.0(17) . . ?
C3N C2N C7N 122.4(17) . . ?
O1N C2N C7N 109.6(14) . . ?
C2N C3N C4N 119.0(17) . . ?
C2N C3N H3NA 120.5 . . ?
C4N C3N H3NA 120.5 . . ?
C5N C4N C3N 122.3(15) . . ?
C5N C4N Br1N 118.5(13) . . ?
C3N C4N Br1N 118.8(13) . . ?
C4N C5N C6N 121.0(15) . . ?
C4N C5N H5NA 119.5 . . ?
C6N C5N H5NA 119.5 . . ?
C8N C6N C7N 122.4(15) . . ?
C8N C6N C5N 122.5(15) . . ?
C7N C6N C5N 115.0(15) . . ?
O2N C7N C2N 120.8(15) . . ?
O2N C7N C6N 118.9(16) . . ?
C2N C7N C6N 120.3(15) . . ?
O2N C7N Eu2 31.8(7) . . ?
C2N C7N Eu2 89.5(10) . . ?
C6N C7N Eu2 149.8(12) . . ?
N1N C8N N2N 109.4(16) . . ?
N1N C8N C6N 129.0(15) . . ?
N2N C8N C6N 121.5(16) . . ?
C14N C9N N1N 107.2(16) . . ?
C14N C9N C10N 120.0(17) . . ?
N1N C9N C10N 132.8(15) . . ?
C9N C10N C11N 118.4(17) . . ?
C9N C10N H10D 120.8 . . ?
C11N C10N H10D 120.8 . . ?
C10N C11N C12N 119.0(19) . . ?
C10N C11N H11A 120.5 . . ?
C12N C11N H11A 120.5 . . ?
C13N C12N C11N 120.9(19) . . ?
C13N C12N H12B 119.5 . . ?
C11N C12N H12B 119.5 . . ?
C12N C13N C14N 119.2(18) . . ?
C12N C13N H13B 120.4 . . ?
C14N C13N H13B 120.4 . . ?
C13N C14N C9N 122.4(19) . . ?
C13N C14N N2N 131.2(16) . . ?
C9N C14N N2N 106.3(15) . . ?
O3' C16 H16A 109.5 . . ?
O3' C16 H16B 109.5 . . ?
H16A C16 H16B 109.5 . . ?
O3' C16 H16C 109.5 . . ?
H16A C16 H16C 109.5 . . ?
H16B C16 H16C 109.5 . . ?
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 2.252(9) . ?
Eu1 O2' 2.280(11) . ?
Eu1 O3 2.419(11) . ?
Eu1 Cl1 2.684(5) . ?
Eu1 O1 2.736(11) . ?
Eu1 Cl2 2.785(5) . ?
Eu1 Cl3 2.814(5) . ?
Eu1 O1' 3.114(11) . ?
Eu1 C7 3.266(16) . ?
Br1 C4 1.945(15) . ?
Br1' C4' 1.935(16) . ?
O1 C2 1.379(17) . ?
O1 C1 1.43(2) . ?
O2 C7 1.283(18) . ?
O2 H2B 0.9300 . ?
O3 C15 1.417(19) . ?
O3 H3B 0.8200 . ?
O1' C2' 1.357(19) . ?
O1' C1' 1.40(2) . ?
O2' C7' 1.32(2) . ?
O2' H2'B 0.9300 . ?
N1 C9 1.36(2) . ?
N1 C8 1.361(19) . ?
N1 H1A 0.8600 . ?
N2 C8 1.331(19) . ?
N2 C14 1.42(2) . ?
N1' C8' 1.34(2) . ?
N1' C9' 1.39(2) . ?
N1' H1'A 0.8600 . ?
N2' C8' 1.362(19) . ?
N2' C14' 1.38(2) . ?
C1 H1B 0.9600 . ?
C1 H1C 0.9600 . ?
C1 H1D 0.9600 . ?
C2 C3 1.32(2) . ?
C2 C7 1.45(2) . ?
C3 C4 1.37(2) . ?
C3 H3A 0.9300 . ?
C4 C5 1.34(2) . ?
C5 C6 1.41(2) . ?
C5 H5A 0.9300 . ?
C6 C7 1.41(2) . ?
C6 C8 1.44(2) . ?
C9 C10 1.39(2) . ?
C9 C14 1.41(2) . ?
C10 C11 1.36(3) . ?
C10 H10C 0.9300 . ?
C11 C12 1.41(2) . ?
C11 H11B 0.9300 . ?
C12 C13 1.41(2) . ?
C12 H12A 0.9300 . ?
C13 C14 1.33(2) . ?
C13 H13A 0.9300 . ?
C15 H1WA 0.9600 . ?
C15 H1WB 0.9600 . ?
C15 H1WC 0.9600 . ?
C1' H1'B 0.9600 . ?
C1' H1'C 0.9600 . ?
C1' H1'D 0.9600 . ?
C2' C3' 1.37(2) . ?
C2' C7' 1.39(2) . ?
C3' C4' 1.39(2) . ?
C3' H3'A 0.9300 . ?
C4' C5' 1.29(2) . ?
C5' C6' 1.45(2) . ?
C5' H5'A 0.9300 . ?
C6' C8' 1.40(2) . ?
C6' C7' 1.45(2) . ?
C9' C10' 1.39(3) . ?
C9' C14' 1.40(2) . ?
C10' C11' 1.39(3) . ?
C10' H10A 0.9300 . ?
C11' C12' 1.43(3) . ?
C11' H11D 0.9300 . ?
C12' C13' 1.39(3) . ?
C12' H12C 0.9300 . ?
C13' C14' 1.37(2) . ?
C13' H13D 0.9300 . ?
Eu2 O2N 2.238(11) . ?
Eu2 O2M 2.272(12) . ?
Eu2 O3' 2.405(14) . ?
Eu2 Cl1M 2.675(6) . ?
Eu2 O1N 2.682(12) . ?
Eu2 Cl2M 2.817(5) . ?
Eu2 Cl3M 2.831(6) . ?
Eu2 O1M 2.944(13) . ?
Eu2 C7N 3.255(16) . ?
Br1M C4M 1.950(19) . ?
Br1N C4N 1.905(15) . ?
O1M C2M 1.35(2) . ?
O1M C1M 1.43(2) . ?
O2M C7M 1.32(2) . ?
O2M H2MA 0.9300 . ?
O1N C2N 1.387(19) . ?
O1N C1N 1.45(2) . ?
O2N C7N 1.331(18) . ?
O2N H2NB 0.9300 . ?
O3' C16 1.20(4) . ?
O3' H1BB 0.9300 . ?
N1M C8M 1.35(2) . ?
N1M C9M 1.39(2) . ?
N1M H1MA 0.8600 . ?
N2M C8M 1.37(2) . ?
N2M C14M 1.38(2) . ?
N1N C8N 1.30(2) . ?
N1N C9N 1.37(2) . ?
N1N H1NA 0.8600 . ?
N2N C8N 1.345(19) . ?
N2N C14N 1.40(2) . ?
C1M H1MB 0.9600 . ?
C1M H1MC 0.9600 . ?
C1M H1MD 0.9600 . ?
C2M C7M 1.41(3) . ?
C2M C3M 1.41(2) . ?
C3M C4M 1.43(3) . ?
C3M H3MA 0.9300 . ?
C4M C5M 1.31(3) . ?
C5M C6M 1.40(3) . ?
C5M H5MA 0.9300 . ?
C6M C7M 1.36(3) . ?
C6M C8M 1.41(3) . ?
C9M C10M 1.32(3) . ?
C9M C14M 1.36(2) . ?
C10M C11M 1.35(3) . ?
C10M H10B 0.9300 . ?
C11M C12M 1.41(3) . ?
C11M H11C 0.9300 . ?
C12M C13M 1.38(3) . ?
C12M H12D 0.9300 . ?
C13M C14M 1.36(3) . ?
C13M H13C 0.9300 . ?
C1N H1NB 0.9600 . ?
C1N H1NC 0.9600 . ?
C1N H1ND 0.9600 . ?
C2N C3N 1.34(2) . ?
C2N C7N 1.39(2) . ?
C3N C4N 1.38(2) . ?
C3N H3NA 0.9300 . ?
C4N C5N 1.35(2) . ?
C5N C6N 1.45(2) . ?
C5N H5NA 0.9300 . ?
C6N C8N 1.42(2) . ?
C6N C7N 1.43(2) . ?
C9N C14N 1.36(2) . ?
C9N C10N 1.39(2) . ?
C10N C11N 1.40(2) . ?
C10N H10D 0.9300 . ?
C11N C12N 1.41(2) . ?
C11N H11A 0.9300 . ?
C12N C13N 1.35(3) . ?
C12N H12B 0.9300 . ?
C13N C14N 1.35(2) . ?
C13N H13B 0.9300 . ?
C16 H16A 0.9600 . ?
C16 H16B 0.9600 . ?
C16 H16C 0.9600 . ?
