#------------------------------------------------------------------------------
#$Date: 2016-03-26 21:39:43 +0200 (Sat, 26 Mar 2016) $
#$Revision: 180480 $
#$URL: svn://www.crystallography.net/cod/cif/7/21/49/7214983.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_7214983
loop_
_publ_author_name
'Chen, Kai'
'Liang, Li-Li'
'Liu, Hao-Jing'
'Zhang, Yun-Qian'
'Xue, Sai-Feng'
'Tao, Zhu'
'Xiao, Xin'
'Zhu, Qian-Jiang'
'Lindoy, Leonard F.'
'Wei, Gang'
_publ_section_title
;
 Hydroquinone-assisted assembly of coordination polymers from lanthanides
 and cucurbit[5]uril
;
_journal_issue                   23
_journal_name_full               CrystEngComm
_journal_page_first              7994
_journal_paper_doi               10.1039/c2ce26200b
_journal_volume                  14
_journal_year                    2012
_chemical_formula_sum            'C75 H159 Cl6 Eu3 N43 O76'
_chemical_formula_weight         3548.03
_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                106.175(2)
_cell_angle_beta                 100.333(2)
_cell_angle_gamma                101.696(2)
_cell_formula_units_Z            2
_cell_length_a                   16.8210(12)
_cell_length_b                   18.5168(13)
_cell_length_c                   24.5003(17)
_cell_measurement_temperature    223(2)
_cell_volume                     6947.6(9)
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 1997)'
_computing_structure_solution    'SHELXS-97 (Sheldrick, 1990)'
_diffrn_ambient_temperature      223(2)
_diffrn_measured_fraction_theta_full 0.985
_diffrn_measured_fraction_theta_max 0.985
_diffrn_measurement_device_type  'Bruker CCD Area Detector'
_diffrn_measurement_method       'φ and ω scan'
_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  0.0313
_diffrn_reflns_av_sigmaI/netI    0.0352
_diffrn_reflns_limit_h_max       19
_diffrn_reflns_limit_h_min       -20
_diffrn_reflns_limit_k_max       22
_diffrn_reflns_limit_k_min       -21
_diffrn_reflns_limit_l_max       29
_diffrn_reflns_limit_l_min       -28
_diffrn_reflns_number            74876
_diffrn_reflns_theta_full        25.10
_diffrn_reflns_theta_max         25.10
_diffrn_reflns_theta_min         1.28
_exptl_absorpt_coefficient_mu    1.570
_exptl_absorpt_correction_T_max  0.8462
_exptl_absorpt_correction_T_min  0.7762
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   'SADABS (Bruker, 2008)'
_exptl_crystal_colour            colorless
_exptl_crystal_density_diffrn    1.696
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       prism
_exptl_crystal_F_000             3618
_exptl_crystal_size_max          0.17
_exptl_crystal_size_mid          0.13
_exptl_crystal_size_min          0.11
_platon_squeeze_details
;
;
_refine_diff_density_max         2.505
_refine_diff_density_min         -1.076
_refine_diff_density_rms         0.127
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.084
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     1576
_refine_ls_number_reflns         24377
_refine_ls_number_restraints     10
_refine_ls_restrained_S_all      1.084
_refine_ls_R_factor_all          0.0546
_refine_ls_R_factor_gt           0.0463
_refine_ls_shift/su_max          0.009
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'calc w=1/[σ²(Fo²)+(0.1033P)²+1.0083P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1421
_refine_ls_wR_factor_ref         0.1488
_reflns_number_gt                19984
_reflns_number_total             24377
_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            c2ce26200b.txt
_cod_data_source_block           03
_cod_original_cell_volume        6947.6(8)
_cod_database_code               7214983
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
Cl3 Cl 0.7482(4) 0.0085(6) 0.4062(3) 0.167(3) Uani 0.50 1 d P
Cl4 Cl 0.9900(10) 0.2987(8) 0.5033(5) 0.259(6) Uani 0.50 1 d P
Cl5 Cl 0.5506(8) -0.7476(8) 0.7640(5) 0.252(6) Uani 0.50 1 d P
Cl6 Cl 0.4581(11) -0.3818(9) 0.5223(5) 0.282(7) Uani 0.50 1 d P
Cl7 Cl 1.1253(5) 0.5717(4) 1.0890(3) 0.140(2) Uani 0.50 1 d P
Cl8 Cl 0.9758(4) 0.6165(5) 0.9106(3) 0.141(2) Uani 0.50 1 d P
Cl9 Cl 1.0892(7) 0.4837(9) 0.8068(12) 0.525(18) Uani 0.50 1 d P
Cl10 Cl 0.9153(9) -0.4316(10) 0.6286(7) 0.286(7) Uani 0.50 1 d P
N41 N 0.7896(3) 0.5646(3) 1.0408(2) 0.0441(11) Uani 1 1 d .
N42 N 0.3518(3) -0.8044(3) 0.8447(2) 0.0520(12) Uani 1 1 d D
N43 N 0.9081(5) -0.1420(4) 1.0167(3) 0.104(3) Uani 1 1 d D
O27 O 0.7221(3) 0.5192(2) 1.03778(19) 0.0531(10) Uani 1 1 d .
O28 O 0.8090(3) 0.6333(2) 1.0731(2) 0.0615(11) Uani 1 1 d .
O29 O 0.8353(3) 0.5403(3) 1.0093(2) 0.0664(12) Uani 1 1 d .
O30 O 0.3123(3) -0.7635(3) 0.8612(3) 0.0805(15) Uani 1 1 d .
O31 O 0.4283(4) -0.7949(6) 0.8639(4) 0.193(5) Uani 1 1 d D
O32 O 0.3277(6) -0.8699(6) 0.8062(6) 0.355(13) Uani 1 1 d D
O33 O 0.8516(5) -0.1365(5) 1.0404(3) 0.140(4) Uani 1 1 d .
O34 O 0.9431(4) -0.0895(5) 0.9993(3) 0.130(3) Uani 1 1 d D
O35 O 0.9354(5) -0.2011(5) 1.0097(3) 0.139(3) Uani 1 1 d D
O1W O 0.6781(2) -0.02487(19) 0.89467(16) 0.0414(8) Uani 1 1 d .
O2W O 0.8601(2) -0.1175(2) 0.79133(15) 0.0391(8) Uani 1 1 d .
O3W O 0.5939(2) -0.1555(2) 0.79627(15) 0.0406(8) Uani 1 1 d .
O4W O 0.8646(2) -0.0443(2) 0.91076(15) 0.0469(9) Uani 1 1 d .
O5W O 1.0181(3) 0.2100(2) 0.57509(18) 0.0543(10) Uani 1 1 d .
O6W O 0.3571(3) -0.5985(2) 0.8805(2) 0.0663(13) Uani 1 1 d .
O7W O 0.5084(2) -0.6384(2) 0.8619(2) 0.0596(11) Uani 1 1 d .
O8W O 0.8491(3) 0.1365(3) 0.50624(19) 0.0598(11) Uani 1 1 d .
O9W O 0.3690(4) -0.6719(3) 0.7689(2) 0.0831(17) Uani 1 1 d .
O10W O 0.8931(4) 0.2722(3) 0.6072(3) 0.097(2) Uani 1 1 d .
Eu1 Eu 0.907163(15) 0.140621(14) 0.608812(11) 0.03307(8) Uani 1 1 d .
Eu2 Eu 0.453584(15) -0.537943(13) 0.831361(11) 0.03262(8) Uani 1 1 d .
Eu3 Eu 0.740896(14) -0.107529(12) 0.828757(9) 0.02381(8) Uani 1 1 d .
Cl1 Cl 0.88399(9) 0.04849(8) 0.67769(6) 0.0482(3) Uani 1 1 d .
Cl2 Cl 0.51392(9) -0.39410(8) 0.82242(6) 0.0493(3) Uani 1 1 d .
C1 C 0.7027(3) 0.0414(3) 0.5943(2) 0.0311(10) Uani 1 1 d .
C2 C 0.6236(3) -0.0762(3) 0.5974(2) 0.0309(10) Uani 1 1 d .
H2 H 0.5698 -0.1095 0.5698 0.037 Uiso 1 1 calc R
C3 C 0.6110(3) -0.0073(3) 0.64498(19) 0.0316(10) Uani 1 1 d .
H3 H 0.5513 -0.0069 0.6393 0.038 Uiso 1 1 calc R
C4 C 0.6712(3) -0.0854(3) 0.69019(19) 0.0274(9) Uani 1 1 d .
C5 C 0.6698(3) 0.1401(3) 0.6705(2) 0.0339(11) Uani 1 1 d .
H5A H 0.6161 0.1436 0.6797 0.041 Uiso 1 1 calc R
H5B H 0.6812 0.1730 0.6461 0.041 Uiso 1 1 calc R
C6 C 0.6384(3) 0.0262(3) 0.75671(19) 0.0296(10) Uani 1 1 d .
H6A H 0.6301 -0.0076 0.7808 0.036 Uiso 1 1 calc R
H6B H 0.5894 0.0470 0.7517 0.036 Uiso 1 1 calc R
C7 C 0.8147(3) 0.2065(3) 0.7262(2) 0.0319(10) Uani 1 1 d .
C8 C 0.7260(3) 0.1679(3) 0.7815(2) 0.0328(10) Uani 1 1 d .
H8 H 0.6830 0.1938 0.7937 0.039 Uiso 1 1 calc R
C9 C 0.8137(3) 0.2106(3) 0.8225(2) 0.0295(10) Uani 1 1 d .
H9 H 0.8126 0.2556 0.8553 0.035 Uiso 1 1 calc R
C10 C 0.7816(3) 0.0823(2) 0.82094(18) 0.0257(9) Uani 1 1 d .
C11 C 0.9468(3) 0.2805(3) 0.7983(2) 0.0373(11) Uani 1 1 d .
H11A H 0.9590 0.3173 0.8382 0.045 Uiso 1 1 calc R
H11B H 0.9537 0.3112 0.7719 0.045 Uiso 1 1 calc R
C12 C 0.9196(3) 0.1620(3) 0.88384(19) 0.0329(10) Uani 1 1 d .
H12A H 0.9113 0.1259 0.9062 0.039 Uiso 1 1 calc R
H12B H 0.9365 0.2152 0.9117 0.039 Uiso 1 1 calc R
C13 C 1.0368(3) 0.2114(3) 0.7486(2) 0.0364(11) Uani 1 1 d .
C14 C 1.0430(3) 0.2123(3) 0.8452(2) 0.0378(11) Uani 1 1 d .
H14 H 1.0700 0.2573 0.8814 0.045 Uiso 1 1 calc R
C15 C 1.1075(3) 0.1710(3) 0.8205(2) 0.0416(12) Uani 1 1 d .
H15 H 1.1655 0.1968 0.8450 0.050 Uiso 1 1 calc R
C16 C 1.0105(3) 0.0819(3) 0.8445(2) 0.0352(11) Uani 1 1 d .
C17 C 1.1472(3) 0.1498(3) 0.7219(2) 0.0432(13) Uani 1 1 d .
H17A H 1.1489 0.1809 0.6955 0.052 Uiso 1 1 calc R
H17B H 1.2048 0.1591 0.7444 0.052 Uiso 1 1 calc R
C18 C 1.1243(3) 0.0328(4) 0.8088(2) 0.0501(14) Uani 1 1 d .
H18A H 1.1845 0.0587 0.8210 0.060 Uiso 1 1 calc R
H18B H 1.1133 -0.0010 0.8325 0.060 Uiso 1 1 calc R
C19 C 1.0627(3) 0.0453(3) 0.6328(2) 0.0379(12) Uani 1 1 d .
C20 C 1.1380(3) 0.0037(3) 0.7025(2) 0.0440(13) Uani 1 1 d .
H20 H 1.1994 0.0106 0.7111 0.053 Uiso 1 1 calc R
C21 C 1.0909(3) -0.0671(3) 0.6463(2) 0.0426(13) Uani 1 1 d .
H21A H 1.1301 -0.0943 0.6291 0.051 Uiso 1 1 calc R
C22 C 1.0440(3) -0.0853(3) 0.7278(2) 0.0414(13) Uani 1 1 d .
C23 C 1.0008(3) -0.0745(3) 0.5485(2) 0.0405(12) Uani 1 1 d .
H23A H 1.0216 -0.1197 0.5324 0.049 Uiso 1 1 calc R
H23B H 1.0080 -0.0408 0.5242 0.049 Uiso 1 1 calc R
C24 C 0.9761(3) -0.1908(3) 0.6331(2) 0.0422(13) Uani 1 1 d .
H24A H 1.0006 -0.2172 0.6025 0.051 Uiso 1 1 calc R
H24B H 0.9684 -0.2232 0.6583 0.051 Uiso 1 1 calc R
C25 C 0.8576(3) -0.0577(3) 0.53845(19) 0.0323(10) Uani 1 1 d .
C26 C 0.8720(3) -0.1764(3) 0.5481(2) 0.0361(11) Uani 1 1 d .
H26 H 0.8795 -0.2199 0.5169 0.043 Uiso 1 1 calc R
C27 C 0.7795(3) -0.1770(3) 0.5402(2) 0.0367(11) Uani 1 1 d .
H27 H 0.7435 -0.2202 0.5051 0.044 Uiso 1 1 calc R
C28 C 0.8282(3) -0.1943(3) 0.6296(2) 0.0383(12) Uani 1 1 d .
C29 C 0.7055(3) -0.0763(3) 0.51809(19) 0.0342(11) Uani 1 1 d .
H29A H 0.6601 -0.1218 0.4925 0.041 Uiso 1 1 calc R
H29B H 0.7168 -0.0404 0.4958 0.041 Uiso 1 1 calc R
C30 C 0.6794(3) -0.1916(3) 0.6064(2) 0.0348(11) Uani 1 1 d .
H30A H 0.6358 -0.2208 0.5700 0.042 Uiso 1 1 calc R
H30B H 0.6750 -0.2216 0.6335 0.042 Uiso 1 1 calc R
C31 C 0.6359(3) -0.5088(3) 0.7827(2) 0.0352(11) Uani 1 1 d .
C32 C 0.7048(4) -0.4428(3) 0.7290(2) 0.0399(12) Uani 1 1 d .
H32 H 0.7358 -0.4625 0.6998 0.048 Uiso 1 1 calc R
C33 C 0.7600(3) -0.4163(3) 0.7937(2) 0.0360(11) Uani 1 1 d .
H33 H 0.8152 -0.4278 0.7953 0.043 Uiso 1 1 calc R
C34 C 0.7238(3) -0.3098(3) 0.7731(2) 0.0318(10) Uani 1 1 d .
C35 C 0.7329(3) -0.4589(3) 0.8819(2) 0.0377(11) Uani 1 1 d .
H35A H 0.7084 -0.5105 0.8839 0.045 Uiso 1 1 calc R
H35B H 0.7940 -0.4483 0.8940 0.045 Uiso 1 1 calc R
C36 C 0.8148(3) -0.2809(3) 0.8724(2) 0.0331(10) Uani 1 1 d .
H36A H 0.8619 -0.3005 0.8860 0.040 Uiso 1 1 calc R
H36B H 0.8380 -0.2291 0.8702 0.040 Uiso 1 1 calc R
C37 C 0.6326(3) -0.4175(3) 0.9371(2) 0.0312(10) Uani 1 1 d .
C38 C 0.7559(3) -0.3208(3) 0.9532(2) 0.0330(10) Uani 1 1 d .
H38 H 0.8108 -0.3175 0.9779 0.040 Uiso 1 1 calc R
C39 C 0.6996(3) -0.2866(3) 0.9903(2) 0.0315(10) Uani 1 1 d .
H39 H 0.7292 -0.2629 1.0324 0.038 Uiso 1 1 calc R
C40 C 0.7205(3) -0.2191(3) 0.9246(2) 0.0281(10) Uani 1 1 d .
C41 C 0.5594(3) -0.3502(3) 1.0067(2) 0.0343(11) Uani 1 1 d .
H41A H 0.5358 -0.4024 1.0082 0.041 Uiso 1 1 calc R
H41B H 0.5799 -0.3144 1.0472 0.041 Uiso 1 1 calc R
C42 C 0.6333(3) -0.1723(3) 0.9899(2) 0.0311(10) Uani 1 1 d .
H42A H 0.6455 -0.1617 1.0324 0.037 Uiso 1 1 calc R
H42B H 0.6545 -0.1232 0.9830 0.037 Uiso 1 1 calc R
C43 C 0.4274(3) -0.3782(3) 0.9349(2) 0.0320(10) Uani 1 1 d .
C44 C 0.4870(3) -0.2470(3) 0.9881(2) 0.0362(11) Uani 1 1 d .
H44 H 0.4897 -0.2218 1.0299 0.043 Uiso 1 1 calc R
C45 C 0.3999(3) -0.2578(3) 0.9471(2) 0.0374(11) Uani 1 1 d .
H45 H 0.3619 -0.2364 0.9697 0.045 Uiso 1 1 calc R
C46 C 0.5039(3) -0.1803(3) 0.9200(2) 0.0317(10) Uani 1 1 d .
C47 C 0.2890(3) -0.3825(3) 0.8796(2) 0.0384(12) Uani 1 1 d .
H47A H 0.2477 -0.3546 0.8908 0.046 Uiso 1 1 calc R
H47B H 0.2718 -0.4344 0.8832 0.046 Uiso 1 1 calc R
C48 C 0.3584(3) -0.2031(3) 0.8640(2) 0.0426(13) Uani 1 1 d .
H48A H 0.3082 -0.2000 0.8785 0.051 Uiso 1 1 calc R
H48B H 0.3813 -0.1528 0.8592 0.051 Uiso 1 1 calc R
C49 C 0.3018(3) -0.4530(3) 0.7825(2) 0.0383(12) Uani 1 1 d .
C50 C 0.2683(3) -0.3353(3) 0.7902(3) 0.0432(13) Uani 1 1 d .
H50 H 0.2134 -0.3255 0.7934 0.052 Uiso 1 1 calc R
C51 C 0.2688(3) -0.3751(3) 0.7259(3) 0.0447(13) Uani 1 1 d .
H51 H 0.2136 -0.3847 0.6989 0.054 Uiso 1 1 calc R
C52 C 0.3684(3) -0.2547(3) 0.7620(2) 0.0395(12) Uani 1 1 d .
C53 C 0.2931(3) -0.5065(3) 0.6765(2) 0.0450(13) Uani 1 1 d .
H53A H 0.2537 -0.5061 0.6419 0.054 Uiso 1 1 calc R
H53B H 0.2760 -0.5579 0.6810 0.054 Uiso 1 1 calc R
C54 C 0.3564(3) -0.3303(3) 0.6592(2) 0.0450(13) Uani 1 1 d .
H54A H 0.3065 -0.3598 0.6271 0.054 Uiso 1 1 calc R
H54B H 0.3753 -0.2788 0.6552 0.054 Uiso 1 1 calc R
C55 C 0.4341(4) -0.5283(3) 0.6887(2) 0.0417(12) Uani 1 1 d .
C56 C 0.4065(4) -0.4534(3) 0.6291(2) 0.0447(13) Uani 1 1 d .
H56 H 0.3703 -0.4747 0.5886 0.054 Uiso 1 1 calc R
C57 C 0.4956(4) -0.4648(3) 0.6312(2) 0.0405(12) Uani 1 1 d .
H57 H 0.5029 -0.4886 0.5916 0.049 Uiso 1 1 calc R
C58 C 0.5035(4) -0.3320(3) 0.6682(2) 0.0389(12) Uani 1 1 d .
C59 C 0.5689(4) -0.5503(3) 0.6774(2) 0.0441(13) Uani 1 1 d .
H59A H 0.5925 -0.5598 0.6431 0.053 Uiso 1 1 calc R
H59B H 0.5463 -0.6010 0.6817 0.053 Uiso 1 1 calc R
C60 C 0.6388(4) -0.3643(3) 0.6707(2) 0.0413(12) Uani 1 1 d .
H60A H 0.6574 -0.3101 0.6720 0.050 Uiso 1 1 calc R
H60B H 0.6545 -0.3969 0.6376 0.050 Uiso 1 1 calc R
N1 N 0.6781(2) -0.0377(2) 0.56855(16) 0.0319(9) Uani 1 1 d .
N2 N 0.6622(2) 0.0608(2) 0.63716(17) 0.0298(8) Uani 1 1 d .
N3 N 0.6633(2) -0.1181(2) 0.63174(15) 0.0289(8) Uani 1 1 d .
N4 N 0.6431(2) -0.0202(2) 0.69982(16) 0.0293(8) Uani 1 1 d .
N5 N 0.7353(2) 0.1704(2) 0.72475(17) 0.0309(9) Uani 1 1 d .
N6 N 0.8612(3) 0.2352(2) 0.78220(17) 0.0338(9) Uani 1 1 d .
N7 N 0.7126(2) 0.0907(2) 0.78757(16) 0.0281(8) Uani 1 1 d .
N8 N 0.8405(2) 0.1508(2) 0.84281(16) 0.0304(8) Uani 1 1 d .
N9 N 1.0071(3) 0.2355(2) 0.79651(18) 0.0387(10) Uani 1 1 d .
N10 N 1.0979(3) 0.1764(3) 0.76220(19) 0.0405(10) Uani 1 1 d .
N11 N 0.9868(3) 0.1497(2) 0.85538(18) 0.0362(9) Uani 1 1 d .
N12 N 1.0789(2) 0.0918(3) 0.82133(18) 0.0383(10) Uani 1 1 d .
N13 N 1.1157(3) 0.0684(3) 0.6872(2) 0.0424(10) Uani 1 1 d .
N14 N 1.0500(3) -0.0324(2) 0.60708(19) 0.0385(10) Uani 1 1 d .
N15 N 1.1035(3) -0.0148(3) 0.74859(19) 0.0422(11) Uani 1 1 d .
N16 N 1.0346(3) -0.1165(3) 0.6680(2) 0.0448(11) Uani 1 1 d .
N17 N 0.9127(3) -0.1014(2) 0.54455(18) 0.0372(10) Uani 1 1 d .
N18 N 0.7796(3) -0.1012(2) 0.53371(17) 0.0351(9) Uani 1 1 d .
N19 N 0.8949(3) -0.1856(3) 0.60564(18) 0.0401(10) Uani 1 1 d .
N20 N 0.7611(3) -0.1860(2) 0.59311(17) 0.0354(9) Uani 1 1 d .
N21 N 0.6353(3) -0.5038(2) 0.72888(19) 0.0378(10) Uani 1 1 d .
N22 N 0.7089(3) -0.4604(2) 0.82155(18) 0.0328(9) Uani 1 1 d .
N23 N 0.6839(3) -0.3717(2) 0.72472(17) 0.0327(9) Uani 1 1 d .
N24 N 0.7679(2) -0.3329(2) 0.81379(17) 0.0317(9) Uani 1 1 d .
N25 N 0.7069(2) -0.4014(2) 0.92280(18) 0.0315(9) Uani 1 1 d .
N26 N 0.6297(2) -0.3520(2) 0.97998(17) 0.0306(8) Uani 1 1 d .
N27 N 0.7649(2) -0.2736(2) 0.91469(17) 0.0297(8) Uani 1 1 d .
N28 N 0.6782(2) -0.2281(2) 0.96481(16) 0.0287(8) Uani 1 1 d .
N29 N 0.4937(3) -0.3260(2) 0.97602(18) 0.0343(9) Uani 1 1 d .
N30 N 0.3693(3) -0.3413(2) 0.91992(18) 0.0349(9) Uani 1 1 d .
N31 N 0.5436(2) -0.1986(2) 0.96620(17) 0.0313(9) Uani 1 1 d .
N32 N 0.4200(3) -0.2157(2) 0.90767(19) 0.0361(9) Uani 1 1 d .
N33 N 0.2875(3) -0.3913(2) 0.8189(2) 0.0406(10) Uani 1 1 d .
N34 N 0.2876(3) -0.4483(3) 0.72715(19) 0.0426(10) Uani 1 1 d .
N35 N 0.3343(3) -0.2630(2) 0.8073(2) 0.0391(10) Uani 1 1 d .
N36 N 0.3332(3) -0.3202(3) 0.7148(2) 0.0416(10) Uani 1 1 d .
N37 N 0.3759(3) -0.4952(3) 0.6665(2) 0.0446(11) Uani 1 1 d .
N38 N 0.5012(3) -0.5153(2) 0.66675(19) 0.0422(10) Uani 1 1 d .
N39 N 0.4213(3) -0.3698(2) 0.65292(19) 0.0431(10) Uani 1 1 d .
N40 N 0.5498(3) -0.3857(3) 0.65974(18) 0.0412(10) Uani 1 1 d .
O1 O 0.7514(2) 0.08676(19) 0.57957(14) 0.0339(7) Uani 1 1 d .
O2 O 0.8398(2) 0.21543(19) 0.68334(14) 0.0332(7) Uani 1 1 d .
O3 O 1.0139(2) 0.2214(2) 0.70023(15) 0.0392(8) Uani 1 1 d .
O4 O 1.0337(2) 0.0890(2) 0.60969(16) 0.0412(8) Uani 1 1 d .
O5 O 0.8742(2) 0.0081(2) 0.53438(14) 0.0374(8) Uani 1 1 d .
O6 O 0.6982(2) -0.11280(18) 0.72810(13) 0.0298(7) Uani 1 1 d .
O7 O 0.78882(19) 0.02196(17) 0.83077(13) 0.0287(7) Uani 1 1 d .
O8 O 0.9793(2) 0.0238(2) 0.85522(14) 0.0383(8) Uani 1 1 d .
O9 O 1.0074(2) -0.1168(2) 0.75703(17) 0.0477(9) Uani 1 1 d .
O10 O 0.8263(2) -0.2100(2) 0.67532(15) 0.0408(8) Uani 1 1 d .
O11 O 0.5821(2) -0.55267(19) 0.79584(15) 0.0383(8) Uani 1 1 d .
O12 O 0.5789(2) -0.48011(18) 0.91769(15) 0.0342(7) Uani 1 1 d .
O13 O 0.4187(2) -0.44906(19) 0.91595(15) 0.0374(8) Uani 1 1 d .
O14 O 0.3215(2) -0.50853(19) 0.79559(16) 0.0405(8) Uani 1 1 d .
O15 O 0.4245(2) -0.5672(2) 0.72234(16) 0.0429(8) Uani 1 1 d .
O16 O 0.7222(2) -0.24171(18) 0.77856(14) 0.0344(7) Uani 1 1 d .
O17 O 0.7208(2) -0.16890(18) 0.90035(14) 0.0314(7) Uani 1 1 d .
O18 O 0.5366(2) -0.13746(18) 0.89568(14) 0.0336(7) Uani 1 1 d .
O19 O 0.4203(2) -0.1976(2) 0.76348(16) 0.0433(9) Uani 1 1 d .
O20 O 0.5349(2) -0.2612(2) 0.68566(15) 0.0404(8) Uani 1 1 d .
C61 C 0.7465(4) 0.1935(3) 0.9563(2) 0.0430(13) Uani 1 1 d .
C62 C 0.6731(4) 0.1845(3) 0.9173(2) 0.0421(12) Uani 1 1 d .
H62 H 0.6413 0.1340 0.8934 0.051 Uiso 1 1 calc R
C63 C 0.6443(4) 0.2481(3) 0.9121(2) 0.0439(12) Uani 1 1 d .
H63 H 0.5940 0.2412 0.8848 0.053 Uiso 1 1 calc R
C64 C 0.6920(3) 0.3229(3) 0.9486(2) 0.0409(12) Uani 1 1 d .
C65 C 0.7660(3) 0.3317(3) 0.9867(2) 0.0403(12) Uani 1 1 d .
H65 H 0.7985 0.3820 1.0103 0.048 Uiso 1 1 calc R
C66 C 0.7937(3) 0.2677(3) 0.9909(2) 0.0437(12) Uani 1 1 d .
H66 H 0.8447 0.2747 1.0174 0.052 Uiso 1 1 calc R
C67 C 0.5335(7) 0.0793(7) 0.5228(5) 0.096(3) Uani 1 1 d .
C68 C 0.5582(6) 0.0383(8) 0.4779(5) 0.096(3) Uani 1 1 d .
H68 H 0.5977 0.0639 0.4621 0.116 Uiso 1 1 calc R
C69 C 0.5250(7) -0.0436(8) 0.4540(4) 0.103(3) Uani 1 1 d .
H69 H 0.5427 -0.0729 0.4228 0.124 Uiso 1 1 calc R
C70 C 0.7585(5) -0.6306(4) 0.7596(4) 0.080(2) Uani 1 1 d D
C71 C 0.6974(6) -0.6648(4) 0.7074(5) 0.108(4) Uani 1 1 d D
H71 H 0.6455 -0.6971 0.7057 0.129 Uiso 1 1 calc R
C72 C 0.7142(7) -0.6504(5) 0.6577(5) 0.115(4) Uani 1 1 d D
H72 H 0.6727 -0.6734 0.6221 0.139 Uiso 1 1 calc R
C73 C 0.7897(6) -0.6035(6) 0.6582(4) 0.105(3) Uani 1 1 d D
C74 C 0.8498(6) -0.5683(6) 0.7108(4) 0.105(3) Uani 1 1 d D
H74 H 0.9007 -0.5343 0.7128 0.126 Uiso 1 1 calc R
C75 C 0.8342(5) -0.5837(4) 0.7605(4) 0.084(2) Uani 1 1 d D
H75 H 0.8762 -0.5616 0.7959 0.101 Uiso 1 1 calc R
O21 O 0.7689(3) 0.1271(2) 0.95885(18) 0.0535(10) Uani 1 1 d .
H21 H 0.8140 0.1391 0.9839 0.080 Uiso 1 1 calc R
O22 O 0.6618(3) 0.3851(2) 0.94448(18) 0.0555(10) Uani 1 1 d .
H22 H 0.6169 0.3693 0.9188 0.083 Uiso 1 1 calc R
O23 O 0.5641(6) 0.1615(6) 0.5478(4) 0.152(3) Uani 1 1 d .
H23 H 0.5412 0.1773 0.5745 0.228 Uiso 1 1 calc R
O24 O 0.7421(4) -0.6441(3) 0.8090(4) 0.108(2) Uani 1 1 d .
H24 H 0.7833 -0.6201 0.8373 0.162 Uiso 1 1 calc R
O25 O 0.8015(8) -0.5886(6) 0.6069(4) 0.178(4) Uani 1 1 d .
H25 H 0.8483 -0.5579 0.6140 0.268 Uiso 1 1 calc R
loop_
_atom_type_symbol
_atom_type_description
_atom_type_scat_dispersion_real
_atom_type_scat_dispersion_imag
_atom_type_scat_source
C C 0.0033 0.0016 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
H H 0.0000 0.0000 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
N N 0.0061 0.0033 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
O O 0.0106 0.0060 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Eu Eu -0.1578 3.6682 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Cl Cl 0.1484 0.1585 '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
O28 N41 O29 121.0(5) . .
O28 N41 O27 120.1(5) . .
O29 N41 O27 118.8(5) . .
O30 N42 O32 128.1(6) . .
O30 N42 O31 127.2(6) . .
O32 N42 O31 104.5(7) . .
O33 N43 O34 122.7(10) . .
O33 N43 O35 120.4(8) . .
O34 N43 O35 117.0(10) . .
O5W Eu1 O3 76.11(13) . .
O5W Eu1 O1 139.37(12) . .
O3 Eu1 O1 136.12(11) . .
O5W Eu1 O5 99.34(13) . .
O3 Eu1 O5 138.11(11) . .
O1 Eu1 O5 72.61(11) . .
O5W Eu1 O8W 70.77(14) . .
O3 Eu1 O8W 142.25(13) . .
O1 Eu1 O8W 69.60(12) . .
O5 Eu1 O8W 66.50(13) . .
O5W Eu1 O4 64.77(12) . .
O3 Eu1 O4 72.37(12) . .
O1 Eu1 O4 137.58(11) . .
O5 Eu1 O4 68.37(12) . .
O8W Eu1 O4 107.88(13) . .
O5W Eu1 O10W 66.81(16) . .
O3 Eu1 O10W 81.43(18) . .
O1 Eu1 O10W 90.99(18) . .
O5 Eu1 O10W 135.83(16) . .
O8W Eu1 O10W 69.35(18) . .
O4 Eu1 O10W 128.94(17) . .
O5W Eu1 O2 120.68(12) . .
O3 Eu1 O2 69.45(11) . .
O1 Eu1 O2 69.02(11) . .
O5 Eu1 O2 138.11(11) . .
O8W Eu1 O2 113.21(12) . .
O4 Eu1 O2 137.79(11) . .
O10W Eu1 O2 61.54(13) . .
O5W Eu1 Cl1 140.81(10) . .
O3 Eu1 Cl1 79.39(8) . .
O1 Eu1 Cl1 78.17(7) . .
O5 Eu1 Cl1 79.33(8) . .
O8W Eu1 Cl1 138.33(11) . .
O4 Eu1 Cl1 78.92(8) . .
O10W Eu1 Cl1 138.26(11) . .
O2 Eu1 Cl1 77.04(7) . .
O6W Eu2 O14 76.80(14) . .
O6W Eu2 O7W 71.13(14) . .
O14 Eu2 O7W 141.89(12) . .
O6W Eu2 O9W 67.66(17) . .
O14 Eu2 O9W 80.74(16) . .
O7W Eu2 O9W 68.49(16) . .
O6W Eu2 O13 62.63(12) . .
O14 Eu2 O13 70.96(11) . .
O7W Eu2 O13 109.99(14) . .
O9W Eu2 O13 126.82(16) . .
O6W Eu2 O15 123.74(15) . .
O14 Eu2 O15 70.37(12) . .
O7W Eu2 O15 111.70(14) . .
O9W Eu2 O15 63.01(13) . .
O13 Eu2 O15 137.14(11) . .
O6W Eu2 O12 97.30(15) . .
O14 Eu2 O12 138.05(11) . .
O7W Eu2 O12 67.48(13) . .
O9W Eu2 O12 135.97(14) . .
O13 Eu2 O12 69.67(11) . .
O15 Eu2 O12 137.18(11) . .
O6W Eu2 O11 140.32(12) . .
O14 Eu2 O11 136.71(11) . .
O7W Eu2 O11 69.42(12) . .
O9W Eu2 O11 93.74(17) . .
O13 Eu2 O11 137.27(11) . .
O15 Eu2 O11 69.02(12) . .
O12 Eu2 O11 71.43(11) . .
O6W Eu2 Cl2 138.44(10) . .
O14 Eu2 Cl2 79.47(8) . .
O7W Eu2 Cl2 138.62(10) . .
O9W Eu2 Cl2 140.23(11) . .
O13 Eu2 Cl2 77.57(8) . .
O15 Eu2 Cl2 77.91(9) . .
O12 Eu2 Cl2 78.53(8) . .
O11 Eu2 Cl2 78.05(8) . .
O7 Eu3 O3W 112.63(12) . .
O7 Eu3 O2W 80.56(11) . .
O3W Eu3 O2W 138.61(12) . .
O7 Eu3 O16 146.90(11) . .
O3W Eu3 O16 77.47(12) . .
O2W Eu3 O16 72.95(12) . .
O7 Eu3 O17 135.18(11) . .
O3W Eu3 O17 82.53(12) . .
O2W Eu3 O17 116.51(11) . .
O16 Eu3 O17 75.84(11) . .
O7 Eu3 O6 75.27(10) . .
O3W Eu3 O6 71.29(11) . .
O2W Eu3 O6 75.10(11) . .
O16 Eu3 O6 78.96(11) . .
O17 Eu3 O6 146.92(11) . .
O7 Eu3 O4W 72.62(11) . .
O3W Eu3 O4W 148.19(12) . .
O2W Eu3 O4W 72.48(13) . .
O16 Eu3 O4W 116.13(13) . .
O17 Eu3 O4W 74.14(12) . .
O6 Eu3 O4W 137.28(11) . .
O7 Eu3 O1W 71.35(11) . .
O3W Eu3 O1W 71.21(12) . .
O2W Eu3 O1W 146.55(12) . .
O16 Eu3 O1W 139.34(11) . .
O17 Eu3 O1W 74.97(11) . .
O6 Eu3 O1W 113.37(12) . .
O4W Eu3 O1W 81.91(13) . .
O1 C1 N2 126.4(5) . .
O1 C1 N1 125.1(4) . .
N2 C1 N1 108.5(4) . .
N1 C2 N3 114.1(4) . .
N1 C2 C3 103.3(4) . .
N3 C2 C3 103.1(3) . .
N1 C2 H2 111.9 . .
N3 C2 H2 111.9 . .
C3 C2 H2 111.9 . .
N2 C3 N4 114.0(4) . .
N2 C3 C2 102.9(4) . .
N4 C3 C2 103.7(3) . .
N2 C3 H3 111.9 . .
N4 C3 H3 111.9 . .
C2 C3 H3 111.9 . .
O6 C4 N3 124.3(4) . .
O6 C4 N4 125.9(4) . .
N3 C4 N4 109.7(4) . .
N2 C5 N5 113.9(4) . .
N2 C5 H5A 108.8 . .
N5 C5 H5A 108.8 . .
N2 C5 H5B 108.8 . .
N5 C5 H5B 108.8 . .
H5A C5 H5B 107.7 . .
N4 C6 N7 113.5(4) . .
N4 C6 H6A 108.9 . .
N7 C6 H6A 108.9 . .
N4 C6 H6B 108.9 . .
N7 C6 H6B 108.9 . .
H6A C6 H6B 107.7 . .
O2 C7 N6 125.0(5) . .
O2 C7 N5 125.5(4) . .
N6 C7 N5 109.3(4) . .
N5 C8 N7 114.7(4) . .
N5 C8 C9 104.0(4) . .
N7 C8 C9 102.4(4) . .
N5 C8 H8 111.7 . .
N7 C8 H8 111.7 . .
C9 C8 H8 111.7 . .
N8 C9 N6 113.4(4) . .
N8 C9 C8 104.0(3) . .
N6 C9 C8 102.4(4) . .
N8 C9 H9 112.1 . .
N6 C9 H9 112.1 . .
C8 C9 H9 112.1 . .
O7 C10 N8 125.0(4) . .
O7 C10 N7 125.7(4) . .
N8 C10 N7 109.3(4) . .
N6 C11 N9 114.6(4) . .
N6 C11 H11A 108.6 . .
N9 C11 H11A 108.6 . .
N6 C11 H11B 108.6 . .
N9 C11 H11B 108.6 . .
H11A C11 H11B 107.6 . .
N8 C12 N11 113.3(4) . .
N8 C12 H12A 108.9 . .
N11 C12 H12A 108.9 . .
N8 C12 H12B 108.9 . .
N11 C12 H12B 108.9 . .
H12A C12 H12B 107.7 . .
O3 C13 N9 126.0(5) . .
O3 C13 N10 125.4(5) . .
N9 C13 N10 108.5(4) . .
N11 C14 N9 114.6(4) . .
N11 C14 C15 102.1(4) . .
N9 C14 C15 102.0(4) . .
N11 C14 H14 112.4 . .
N9 C14 H14 112.4 . .
C15 C14 H14 112.4 . .
N10 C15 N12 113.7(4) . .
N10 C15 C14 103.7(4) . .
N12 C15 C14 103.7(4) . .
N10 C15 H15 111.7 . .
N12 C15 H15 111.7 . .
C14 C15 H15 111.7 . .
O8 C16 N11 126.7(5) . .
O8 C16 N12 125.5(5) . .
N11 C16 N12 107.7(4) . .
N13 C17 N10 113.8(4) . .
N13 C17 H17A 108.8 . .
N10 C17 H17A 108.8 . .
N13 C17 H17B 108.8 . .
N10 C17 H17B 108.8 . .
H17A C17 H17B 107.7 . .
N15 C18 N12 114.7(4) . .
N15 C18 H18A 108.6 . .
N12 C18 H18A 108.6 . .
N15 C18 H18B 108.6 . .
N12 C18 H18B 108.6 . .
H18A C18 H18B 107.6 . .
O4 C19 N14 125.5(5) . .
O4 C19 N13 125.3(5) . .
N14 C19 N13 109.1(4) . .
N13 C20 N15 114.7(4) . .
N13 C20 C21 102.5(4) . .
N15 C20 C21 104.3(4) . .
N13 C20 H20 111.6 . .
N15 C20 H20 111.6 . .
C21 C20 H20 111.6 . .
N14 C21 N16 115.0(4) . .
N14 C21 C20 103.7(4) . .
N16 C21 C20 102.8(4) . .
N14 C21 H21A 111.6 . .
N16 C21 H21A 111.6 . .
C20 C21 H21A 111.6 . .
O9 C22 N15 126.0(5) . .
O9 C22 N16 125.3(6) . .
N15 C22 N16 108.7(5) . .
N14 C23 N17 113.5(4) . .
N14 C23 H23A 108.9 . .
N17 C23 H23A 108.9 . .
N14 C23 H23B 108.9 . .
N17 C23 H23B 108.9 . .
H23A C23 H23B 107.7 . .
N19 C24 N16 114.4(4) . .
N19 C24 H24A 108.7 . .
N16 C24 H24A 108.7 . .
N19 C24 H24B 108.7 . .
N16 C24 H24B 108.7 . .
H24A C24 H24B 107.6 . .
O5 C25 N18 125.4(4) . .
O5 C25 N17 126.2(5) . .
N18 C25 N17 108.3(4) . .
N17 C26 N19 115.0(4) . .
N17 C26 C27 104.3(4) . .
N19 C26 C27 103.5(4) . .
N17 C26 H26 111.2 . .
N19 C26 H26 111.2 . .
C27 C26 H26 111.2 . .
N20 C27 N18 114.8(4) . .
N20 C27 C26 103.9(4) . .
N18 C27 C26 102.7(4) . .
N20 C27 H27 111.6 . .
N18 C27 H27 111.6 . .
C26 C27 H27 111.6 . .
O10 C28 N19 126.5(5) . .
O10 C28 N20 125.0(5) . .
N19 C28 N20 108.4(4) . .
N18 C29 N1 113.0(4) . .
N18 C29 H29A 109.0 . .
N1 C29 H29A 109.0 . .
N18 C29 H29B 109.0 . .
N1 C29 H29B 109.0 . .
H29A C29 H29B 107.8 . .
N3 C30 N20 114.6(4) . .
N3 C30 H30A 108.6 . .
N20 C30 H30A 108.6 . .
N3 C30 H30B 108.6 . .
N20 C30 H30B 108.6 . .
H30A C30 H30B 107.6 . .
O11 C31 N21 126.7(5) . .
O11 C31 N22 123.9(5) . .
N21 C31 N22 109.3(4) . .
N21 C32 N23 115.1(4) . .
N21 C32 C33 102.2(4) . .
N23 C32 C33 102.8(4) . .
N21 C32 H32 112.0 . .
N23 C32 H32 112.0 . .
C33 C32 H32 112.0 . .
N22 C33 N24 114.3(4) . .
N22 C33 C32 103.2(4) . .
N24 C33 C32 102.4(4) . .
N22 C33 H33 112.1 . .
N24 C33 H33 112.1 . .
C32 C33 H33 112.1 . .
O16 C34 N23 124.8(4) . .
O16 C34 N24 125.2(5) . .
N23 C34 N24 109.9(4) . .
N25 C35 N22 113.8(4) . .
N25 C35 H35A 108.8 . .
N22 C35 H35A 108.8 . .
N25 C35 H35B 108.8 . .
N22 C35 H35B 108.8 . .
H35A C35 H35B 107.7 . .
N27 C36 N24 113.5(4) . .
N27 C36 H36A 108.9 . .
N24 C36 H36A 108.9 . .
N27 C36 H36B 108.9 . .
N24 C36 H36B 108.9 . .
H36A C36 H36B 107.7 . .
O12 C37 N25 126.3(4) . .
O12 C37 N26 125.6(4) . .
N25 C37 N26 108.1(4) . .
N25 C38 N27 114.0(4) . .
N25 C38 C39 103.1(4) . .
N27 C38 C39 103.9(4) . .
N25 C38 H38 111.8 . .
N27 C38 H38 111.8 . .
C39 C38 H38 111.8 . .
N26 C39 N28 113.7(4) . .
N26 C39 C38 104.0(4) . .
N28 C39 C38 103.0(4) . .
N26 C39 H39 111.8 . .
N28 C39 H39 111.8 . .
C38 C39 H39 111.8 . .
O17 C40 N28 125.9(4) . .
O17 C40 N27 124.4(4) . .
N28 C40 N27 109.7(4) . .
N29 C41 N26 113.6(4) . .
N29 C41 H41A 108.8 . .
N26 C41 H41A 108.8 . .
N29 C41 H41B 108.8 . .
N26 C41 H41B 108.8 . .
H41A C41 H41B 107.7 . .
N31 C42 N28 114.1(4) . .
N31 C42 H42A 108.7 . .
N28 C42 H42A 108.7 . .
N31 C42 H42B 108.7 . .
N28 C42 H42B 108.7 . .
H42A C42 H42B 107.6 . .
O13 C43 N29 125.4(4) . .
O13 C43 N30 125.0(5) . .
N29 C43 N30 109.5(4) . .
N29 C44 N31 114.5(4) . .
N29 C44 C45 102.6(4) . .
N31 C44 C45 102.3(4) . .
N29 C44 H44 112.2 . .
N31 C44 H44 112.2 . .
C45 C44 H44 112.2 . .
N30 C45 N32 114.6(4) . .
N30 C45 C44 103.2(4) . .
N32 C45 C44 103.8(4) . .
N30 C45 H45 111.5 . .
N32 C45 H45 111.5 . .
C44 C45 H45 111.5 . .
O18 C46 N32 125.9(5) . .
O18 C46 N31 126.3(5) . .
N32 C46 N31 107.7(4) . .
N30 C47 N33 114.3(4) . .
N30 C47 H47A 108.7 . .
N33 C47 H47A 108.7 . .
N30 C47 H47B 108.7 . .
N33 C47 H47B 108.7 . .
H47A C47 H47B 107.6 . .
N35 C48 N32 114.2(4) . .
N35 C48 H48A 108.7 . .
N32 C48 H48A 108.7 . .
N35 C48 H48B 108.7 . .
N32 C48 H48B 108.7 . .
H48A C48 H48B 107.6 . .
O14 C49 N33 126.2(5) . .
O14 C49 N34 124.4(5) . .
N33 C49 N34 109.3(4) . .
N35 C50 N33 114.8(4) . .
N35 C50 C51 102.7(4) . .
N33 C50 C51 103.1(4) . .
N35 C50 H50 111.9 . .
N33 C50 H50 111.9 . .
C51 C50 H50 111.9 . .
N36 C51 N34 115.6(4) . .
N36 C51 C50 104.1(4) . .
N34 C51 C50 103.0(4) . .
N36 C51 H51 111.2 . .
N34 C51 H51 111.2 . .
C50 C51 H51 111.2 . .
O19 C52 N36 125.6(5) . .
O19 C52 N35 125.6(5) . .
N36 C52 N35 108.7(5) . .
N34 C53 N37 113.4(4) . .
N34 C53 H53A 108.9 . .
N37 C53 H53A 108.9 . .
N34 C53 H53B 108.9 . .
N37 C53 H53B 108.9 . .
H53A C53 H53B 107.7 . .
N39 C54 N36 114.2(4) . .
N39 C54 H54A 108.7 . .
N36 C54 H54A 108.7 . .
N39 C54 H54B 108.7 . .
N36 C54 H54B 108.7 . .
H54A C54 H54B 107.6 . .
O15 C55 N38 125.4(5) . .
O15 C55 N37 124.9(5) . .
N38 C55 N37 109.6(5) . .
N39 C56 N37 113.7(4) . .
N39 C56 C57 103.7(4) . .
N37 C56 C57 103.5(4) . .
N39 C56 H56 111.8 . .
N37 C56 H56 111.8 . .
C57 C56 H56 111.8 . .
N38 C57 N40 114.0(4) . .
N38 C57 C56 102.9(4) . .
N40 C57 C56 103.1(4) . .
N38 C57 H57 112.0 . .
N40 C57 H57 112.0 . .
C56 C57 H57 112.0 . .
O20 C58 N39 127.3(5) . .
O20 C58 N40 123.3(5) . .
N39 C58 N40 109.4(4) . .
N38 C59 N21 114.1(4) . .
N38 C59 H59A 108.7 . .
N21 C59 H59A 108.7 . .
N38 C59 H59B 108.7 . .
N21 C59 H59B 108.7 . .
H59A C59 H59B 107.6 . .
N40 C60 N23 115.4(4) . .
N40 C60 H60A 108.4 . .
N23 C60 H60A 108.4 . .
N40 C60 H60B 108.4 . .
N23 C60 H60B 108.4 . .
H60A C60 H60B 107.5 . .
C1 N1 C2 112.5(4) . .
C1 N1 C29 121.9(4) . .
C2 N1 C29 125.6(4) . .
C1 N2 C5 122.8(4) . .
C1 N2 C3 112.6(4) . .
C5 N2 C3 124.6(4) . .
C4 N3 C30 123.7(4) . .
C4 N3 C2 111.9(4) . .
C30 N3 C2 123.7(4) . .
C4 N4 C6 124.0(4) . .
C4 N4 C3 111.5(4) . .
C6 N4 C3 124.2(4) . .
C7 N5 C8 112.5(4) . .
C7 N5 C5 121.0(4) . .
C8 N5 C5 126.5(4) . .
C7 N6 C11 122.5(4) . .
C7 N6 C9 111.4(4) . .
C11 N6 C9 126.0(4) . .
C10 N7 C6 122.5(4) . .
C10 N7 C8 112.2(4) . .
C6 N7 C8 125.0(4) . .
C10 N8 C9 111.9(4) . .
C10 N8 C12 122.4(4) . .
C9 N8 C12 125.7(4) . .
C13 N9 C11 122.6(4) . .
C13 N9 C14 113.3(4) . .
C11 N9 C14 124.1(4) . .
C13 N10 C15 112.3(4) . .
C13 N10 C17 122.3(4) . .
C15 N10 C17 125.4(4) . .
C16 N11 C14 113.9(4) . .
C16 N11 C12 122.8(4) . .
C14 N11 C12 122.6(4) . .
C16 N12 C18 122.3(5) . .
C16 N12 C15 112.3(4) . .
C18 N12 C15 124.7(4) . .
C19 N13 C17 120.9(4) . .
C19 N13 C20 112.6(5) . .
C17 N13 C20 126.5(5) . .
C19 N14 C23 123.4(4) . .
C19 N14 C21 112.0(4) . .
C23 N14 C21 124.6(4) . .
C22 N15 C18 121.5(5) . .
C22 N15 C20 111.9(5) . .
C18 N15 C20 126.6(5) . .
C22 N16 C24 122.1(5) . .
C22 N16 C21 112.3(5) . .
C24 N16 C21 125.6(5) . .
C25 N17 C23 123.4(4) . .
C25 N17 C26 111.7(4) . .
C23 N17 C26 124.9(4) . .
C25 N18 C29 122.1(4) . .
C25 N18 C27 112.8(4) . .
C29 N18 C27 124.9(4) . .
C28 N19 C24 122.7(4) . .
C28 N19 C26 111.7(4) . .
C24 N19 C26 125.4(4) . .
C28 N20 C27 112.4(4) . .
C28 N20 C30 122.3(4) . .
C27 N20 C30 125.2(4) . .
C31 N21 C59 123.2(4) . .
C31 N21 C32 113.0(4) . .
C59 N21 C32 123.7(4) . .
C31 N22 C33 111.7(4) . .
C31 N22 C35 122.8(4) . .
C33 N22 C35 125.4(4) . .
C34 N23 C32 112.1(4) . .
C34 N23 C60 122.9(4) . .
C32 N23 C60 124.0(4) . .
C34 N24 C33 112.4(4) . .
C34 N24 C36 123.9(4) . .
C33 N24 C36 123.6(4) . .
C37 N25 C35 122.7(4) . .
C37 N25 C38 112.4(4) . .
C35 N25 C38 124.9(4) . .
C37 N26 C39 111.9(4) . .
C37 N26 C41 122.4(4) . .
C39 N26 C41 125.5(4) . .
C40 N27 C36 123.3(4) . .
C40 N27 C38 111.0(4) . .
C36 N27 C38 125.7(4) . .
C40 N28 C39 112.0(4) . .
C40 N28 C42 122.3(4) . .
C39 N28 C42 124.0(4) . .
C43 N29 C41 121.6(4) . .
C43 N29 C44 112.6(4) . .
C41 N29 C44 125.6(4) . .
C43 N30 C47 122.5(4) . .
C43 N30 C45 111.7(4) . .
C47 N30 C45 125.7(4) . .
C46 N31 C42 122.6(4) . .
C46 N31 C44 113.5(4) . .
C42 N31 C44 123.9(4) . .
C46 N32 C45 112.7(4) . .
C46 N32 C48 122.1(4) . .
C45 N32 C48 124.7(4) . .
C49 N33 C47 123.1(4) . .
C49 N33 C50 112.6(5) . .
C47 N33 C50 124.2(4) . .
C49 N34 C53 124.6(4) . .
C49 N34 C51 111.8(4) . .
C53 N34 C51 123.6(4) . .
C52 N35 C48 122.4(5) . .
C52 N35 C50 112.4(5) . .
C48 N35 C50 125.1(5) . .
C52 N36 C51 112.1(5) . .
C52 N36 C54 122.5(5) . .
C51 N36 C54 125.4(5) . .
C55 N37 C53 122.9(5) . .
C55 N37 C56 111.3(5) . .
C53 N37 C56 125.7(4) . .
C55 N38 C59 122.1(4) . .
C55 N38 C57 112.4(4) . .
C59 N38 C57 125.6(4) . .
C58 N39 C54 123.1(4) . .
C58 N39 C56 112.3(5) . .
C54 N39 C56 124.6(5) . .
C58 N40 C60 123.2(4) . .
C58 N40 C57 111.1(4) . .
C60 N40 C57 125.2(4) . .
C1 O1 Eu1 133.5(3) . .
C7 O2 Eu1 136.1(3) . .
C13 O3 Eu1 132.9(3) . .
C19 O4 Eu1 135.5(3) . .
C25 O5 Eu1 131.9(3) . .
C4 O6 Eu3 152.1(3) . .
C10 O7 Eu3 155.1(3) . .
C31 O11 Eu2 133.8(3) . .
C37 O12 Eu2 133.4(3) . .
C43 O13 Eu2 134.6(3) . .
C49 O14 Eu2 135.7(3) . .
C55 O15 Eu2 135.7(3) . .
C34 O16 Eu3 156.8(3) . .
C40 O17 Eu3 157.8(3) . .
C62 C61 O21 117.3(5) . .
C62 C61 C66 119.2(5) . .
O21 C61 C66 123.5(5) . .
C61 C62 C63 121.7(5) . .
C61 C62 H62 119.2 . .
C63 C62 H62 119.2 . .
C62 C63 C64 118.4(5) . .
C62 C63 H63 120.8 . .
C64 C63 H63 120.8 . .
C65 C64 O22 122.3(5) . .
C65 C64 C63 119.7(5) . .
O22 C64 C63 118.0(5) . .
C64 C65 C66 121.0(5) . .
C64 C65 H65 119.5 . .
C66 C65 H65 119.5 . .
C61 C66 C65 120.0(5) . .
C61 C66 H66 120.0 . .
C65 C66 H66 120.0 . .
C68 C67 C69 121.1(11) . 2_656
C68 C67 O23 122.5(14) . .
C69 C67 O23 116.4(13) 2_656 .
C67 C68 C69 120.2(11) . .
C67 C68 H68 119.9 . .
C69 C68 H68 119.9 . .
C67 C69 C68 118.7(11) 2_656 .
C67 C69 H69 120.7 2_656 .
C68 C69 H69 120.7 . .
O24 C70 C71 118.9(8) . .
O24 C70 C75 121.8(8) . .
C71 C70 C75 119.3(9) . .
C70 C71 C72 118.5(10) . .
C70 C71 H71 120.8 . .
C72 C71 H71 120.8 . .
C73 C72 C71 122.6(11) . .
C73 C72 H72 118.7 . .
C71 C72 H72 118.7 . .
C72 C73 C74 118.5(10) . .
C72 C73 O25 119.8(10) . .
C74 C73 O25 121.6(10) . .
C73 C74 C75 119.3(10) . .
C73 C74 H74 120.4 . .
C75 C74 H74 120.4 . .
C70 C75 C74 121.7(9) . .
C70 C75 H75 119.1 . .
C74 C75 H75 119.1 . .
C61 O21 H21 109.5 . .
C64 O22 H22 109.5 . .
C67 O23 H23 109.5 . .
C70 O24 H24 109.5 . .
C73 O25 H25 109.5 . .
loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_site_symmetry_2
N41 O28 1.236(6) .
N41 O29 1.244(6) .
N41 O27 1.246(6) .
N42 O30 1.143(7) .
N42 O32 1.246(2) .
N42 O31 1.247(2) .
N43 O33 1.207(10) .
N43 O34 1.250(2) .
N43 O35 1.250(2) .
O1W Eu3 2.441(3) .
O2W Eu3 2.369(3) .
O3W Eu3 2.356(3) .
O4W Eu3 2.437(3) .
O5W Eu1 2.447(4) .
O6W Eu2 2.461(4) .
O7W Eu2 2.469(4) .
O8W Eu1 2.501(4) .
O9W Eu2 2.488(4) .
O10W Eu1 2.505(4) .
Eu1 O3 2.466(4) .
Eu1 O1 2.498(3) .
Eu1 O5 2.499(3) .
Eu1 O4 2.502(3) .
Eu1 O2 2.551(3) .
Eu1 Cl1 2.7350(14) .
Eu2 O14 2.462(3) .
Eu2 O13 2.505(3) .
Eu2 O15 2.507(4) .
Eu2 O12 2.508(3) .
Eu2 O11 2.508(3) .
Eu2 Cl2 2.7352(14) .
Eu3 O7 2.353(3) .
Eu3 O16 2.372(3) .
Eu3 O17 2.377(3) .
Eu3 O6 2.410(3) .
C1 O1 1.227(6) .
C1 N2 1.357(6) .
C1 N1 1.364(6) .
C2 N1 1.448(6) .
C2 N3 1.458(6) .
C2 C3 1.549(7) .
C2 H2 0.9900 .
C3 N2 1.456(6) .
C3 N4 1.458(5) .
C3 H3 0.9900 .
C4 O6 1.237(5) .
C4 N3 1.360(6) .
C4 N4 1.361(6) .
C5 N2 1.434(6) .
C5 N5 1.451(6) .
C5 H5A 0.9800 .
C5 H5B 0.9800 .
C6 N4 1.444(6) .
C6 N7 1.452(6) .
C6 H6A 0.9800 .
C6 H6B 0.9800 .
C7 O2 1.240(6) .
C7 N6 1.347(6) .
C7 N5 1.356(6) .
C8 N5 1.438(6) .
C8 N7 1.457(6) .
C8 C9 1.537(7) .
C8 H8 0.9900 .
C9 N8 1.452(6) .
C9 N6 1.485(6) .
C9 H9 0.9900 .
C10 O7 1.231(5) .
C10 N8 1.342(6) .
C10 N7 1.358(6) .
C11 N6 1.434(6) .
C11 N9 1.435(7) .
C11 H11A 0.9800 .
C11 H11B 0.9800 .
C12 N8 1.454(6) .
C12 N11 1.454(6) .
C12 H12A 0.9800 .
C12 H12B 0.9800 .
C13 O3 1.254(6) .
C13 N9 1.356(7) .
C13 N10 1.361(6) .
C14 N11 1.450(6) .
C14 N9 1.451(6) .
C14 C15 1.562(7) .
C14 H14 0.9900 .
C15 N10 1.444(6) .
C15 N12 1.454(7) .
C15 H15 0.9900 .
C16 O8 1.216(6) .
C16 N11 1.364(7) .
C16 N12 1.374(6) .
C17 N13 1.442(7) .
C17 N10 1.447(7) .
C17 H17A 0.9800 .
C17 H17B 0.9800 .
C18 N15 1.428(7) .
C18 N12 1.450(7) .
C18 H18A 0.9800 .
C18 H18B 0.9800 .
C19 O4 1.237(6) .
C19 N14 1.354(7) .
C19 N13 1.363(7) .
C20 N13 1.448(7) .
C20 N15 1.449(6) .
C20 C21 1.559(8) .
C20 H20 0.9900 .
C21 N14 1.447(6) .
C21 N16 1.456(7) .
C21 H21A 0.9900 .
C22 O9 1.215(6) .
C22 N15 1.373(7) .
C22 N16 1.382(7) .
C23 N14 1.430(7) .
C23 N17 1.440(7) .
C23 H23A 0.9800 .
C23 H23B 0.9800 .
C24 N19 1.446(7) .
C24 N16 1.444(7) .
C24 H24A 0.9800 .
C24 H24B 0.9800 .
C25 O5 1.229(6) .
C25 N18 1.360(6) .
C25 N17 1.364(6) .
C26 N17 1.451(6) .
C26 N19 1.460(6) .
C26 C27 1.530(7) .
C26 H26 0.9900 .
C27 N20 1.432(6) .
C27 N18 1.455(6) .
C27 H27 0.9900 .
C28 O10 1.237(6) .
C28 N19 1.357(7) .
C28 N20 1.372(6) .
C29 N18 1.440(6) .
C29 N1 1.448(6) .
C29 H29A 0.9800 .
C29 H29B 0.9800 .
C30 N3 1.434(6) .
C30 N20 1.458(6) .
C30 H30A 0.9800 .
C30 H30B 0.9800 .
C31 O11 1.239(6) .
C31 N21 1.345(6) .
C31 N22 1.370(7) .
C32 N21 1.450(7) .
C32 N23 1.457(6) .
C32 C33 1.571(8) .
C32 H32 0.9900 .
C33 N22 1.453(6) .
C33 N24 1.454(6) .
C33 H33 0.9900 .
C34 O16 1.236(5) .
C34 N23 1.347(6) .
C34 N24 1.353(6) .
C35 N25 1.442(6) .
C35 N22 1.453(6) .
C35 H35A 0.9800 .
C35 H35B 0.9800 .
C36 N27 1.442(6) .
C36 N24 1.458(6) .
C36 H36A 0.9800 .
C36 H36B 0.9800 .
C37 O12 1.225(6) .
C37 N25 1.355(6) .
C37 N26 1.381(6) .
C38 N25 1.457(6) .
C38 N27 1.462(6) .
C38 C39 1.533(7) .
C38 H38 0.9900 .
C39 N26 1.436(6) .
C39 N28 1.464(6) .
C39 H39 0.9900 .
C40 O17 1.234(5) .
C40 N28 1.341(6) .
C40 N27 1.367(6) .
C41 N29 1.441(6) .
C41 N26 1.453(6) .
C41 H41A 0.9800 .
C41 H41B 0.9800 .
C42 N31 1.441(6) .
C42 N28 1.464(6) .
C42 H42A 0.9800 .
C42 H42B 0.9800 .
C43 O13 1.232(6) .
C43 N29 1.345(6) .
C43 N30 1.355(6) .
C44 N29 1.442(6) .
C44 N31 1.451(6) .
C44 C45 1.560(7) .
C44 H44 0.9900 .
C45 N30 1.443(6) .
C45 N32 1.445(6) .
C45 H45 0.9900 .
C46 O18 1.221(6) .
C46 N32 1.369(6) .
C46 N31 1.370(6) .
C47 N30 1.437(6) .
C47 N33 1.445(7) .
C47 H47A 0.9800 .
C47 H47B 0.9800 .
C48 N35 1.441(7) .
C48 N32 1.453(6) .
C48 H48A 0.9800 .
C48 H48B 0.9800 .
C49 O14 1.246(6) .
C49 N33 1.334(7) .
C49 N34 1.364(7) .
C50 N35 1.455(7) .
C50 N33 1.461(6) .
C50 C51 1.543(8) .
C50 H50 0.9900 .
C51 N36 1.449(7) .
C51 N34 1.460(7) .
C51 H51 0.9900 .
C52 O19 1.214(6) .
C52 N36 1.356(7) .
C52 N35 1.369(7) .
C53 N34 1.431(7) .
C53 N37 1.441(7) .
C53 H53A 0.9800 .
C53 H53B 0.9800 .
C54 N39 1.439(7) .
C54 N36 1.457(7) .
C54 H54A 0.9800 .
C54 H54B 0.9800 .
C55 O15 1.248(6) .
C55 N38 1.342(7) .
C55 N37 1.366(7) .
C56 N39 1.445(7) .
C56 N37 1.452(7) .
C56 C57 1.548(8) .
C56 H56 0.9900 .
C57 N38 1.451(7) .
C57 N40 1.458(7) .
C57 H57 0.9900 .
C58 O20 1.228(6) .
C58 N39 1.349(7) .
C58 N40 1.376(7) .
C59 N38 1.439(7) .
C59 N21 1.442(7) .
C59 H59A 0.9800 .
C59 H59B 0.9800 .
C60 N40 1.423(7) .
C60 N23 1.458(6) .
C60 H60A 0.9800 .
C60 H60B 0.9800 .
C61 C62 1.368(8) .
C61 O21 1.371(6) .
C61 C66 1.379(8) .
C62 C63 1.390(8) .
C62 H62 0.9400 .
C63 C64 1.400(8) .
C63 H63 0.9400 .
C64 C65 1.365(8) .
C64 O22 1.371(6) .
C65 C66 1.382(7) .
C65 H65 0.9400 .
C66 H66 0.9400 .
C67 C68 1.335(14) .
C67 C69 1.371(14) 2_656
C67 O23 1.416(12) .
C68 C69 1.413(14) .
C68 H68 0.9400 .
C69 C67 1.371(14) 2_656
C69 H69 0.9400 .
C70 O24 1.366(10) .
C70 C71 1.380(2) .
C70 C75 1.381(2) .
C71 C72 1.383(2) .
C71 H71 0.9400 .
C72 C73 1.380(2) .
C72 H72 0.9400 .
C73 C74 1.380(2) .
C73 O25 1.397(12) .
C74 C75 1.382(2) .
C74 H74 0.9400 .
C75 H75 0.9400 .
O21 H21 0.8300 .
O22 H22 0.8300 .
O23 H23 0.8300 .
O24 H24 0.8300 .
O25 H25 0.8300 .
loop_
_platon_squeeze_void_nr
_platon_squeeze_void_average_x
_platon_squeeze_void_average_y
_platon_squeeze_void_average_z
_platon_squeeze_void_volume
_platon_squeeze_void_count_electrons
_platon_squeeze_void_content
1 -0.298 0.185 0.202 1839 612 ' '
2 0.000 0.354 0.958 7 8 ' '
3 0.000 0.646 0.042 7 10 ' '
