#------------------------------------------------------------------------------
#$Date: 2016-02-14 06:40:26 +0200 (Sun, 14 Feb 2016) $
#$Revision: 176432 $
#$URL: svn://www.crystallography.net/cod/cif/7/20/86/7208636.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_7208636
loop_
_publ_author_name
'Du, Dong-Ying'
'Qin, Jun-Sheng'
'Sun, Cheng-Xin'
'Wang, Xin-Long'
'Zhang, Shu-Ran'
'Shen, Ping'
'Li, Shun-Li'
'Su, Zhong-Min'
'Lan, Ya-Qian'
_publ_section_title
;
 Functional heterometallic coordination polymers with metalloligands as
 tunable luminescent crystalline materials
;
_journal_issue                   37
_journal_name_full               'Journal of Materials Chemistry'
_journal_page_first              19673
_journal_paper_doi               10.1039/c2jm34661c
_journal_volume                  22
_journal_year                    2012
_chemical_formula_moiety         'C66 H59 Br4 Eu0.25 N10 O11 Tb0.75 Zn2'
_chemical_formula_sum            'C66 H59 Br4 Eu0.25 N10 O11 Tb0.75 Zn2'
_chemical_formula_weight         1775.79
_chemical_name_systematic
;
?
;
_space_group_IT_number           14
_symmetry_cell_setting           monoclinic
_symmetry_space_group_name_Hall  '-P 2yn'
_symmetry_space_group_name_H-M   'P 1 21/n 1'
_atom_sites_solution_hydrogens   geom
_atom_sites_solution_primary     direct
_atom_sites_solution_secondary   difmap
_audit_creation_method           SHELXL-97
_cell_angle_alpha                90.00
_cell_angle_beta                 99.803(2)
_cell_angle_gamma                90.00
_cell_formula_units_Z            4
_cell_length_a                   15.676(2)
_cell_length_b                   13.5140(17)
_cell_length_c                   33.055(4)
_cell_measurement_temperature    293(2)
_cell_volume                     6900.3(15)
_computing_cell_refinement       'SMART (Bruker, 1997)'
_computing_data_collection       'SMART (Bruker, 1997)'
_computing_data_reduction        SAINT
_computing_molecular_graphics    'SHELXTL-PLUS (Sheldrick, 1990)'
_computing_publication_material  SHELXL-97
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 1997)'
_computing_structure_solution    'SHELXS-97(Sheldrick, 1997)'
_diffrn_ambient_temperature      293(2)
_diffrn_measured_fraction_theta_full 0.995
_diffrn_measured_fraction_theta_max 0.995
_diffrn_measurement_device_type  'Bruker APEX CCD area-detector'
_diffrn_measurement_method       'ω scans'
_diffrn_radiation_monochromator  graphite
_diffrn_radiation_source         'fine-focus sealed tube'
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71069
_diffrn_reflns_av_R_equivalents  0.0661
_diffrn_reflns_av_sigmaI/netI    0.0861
_diffrn_reflns_limit_h_max       18
_diffrn_reflns_limit_h_min       -13
_diffrn_reflns_limit_k_max       15
_diffrn_reflns_limit_k_min       -16
_diffrn_reflns_limit_l_max       39
_diffrn_reflns_limit_l_min       -39
_diffrn_reflns_number            33958
_diffrn_reflns_theta_full        24.96
_diffrn_reflns_theta_max         24.96
_diffrn_reflns_theta_min         1.25
_exptl_absorpt_coefficient_mu    4.056
_exptl_absorpt_correction_T_max  0.4976
_exptl_absorpt_correction_T_min  0.4304
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   'SADABS(Sheldrick, 1996)'
_exptl_crystal_density_diffrn    1.709
_exptl_crystal_density_method    'not measured'
_exptl_crystal_F_000             3510
_exptl_crystal_size_max          0.25
_exptl_crystal_size_mid          0.23
_exptl_crystal_size_min          0.20
_refine_diff_density_max         1.748
_refine_diff_density_min         -1.195
_refine_diff_density_rms         0.132
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.029
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     847
_refine_ls_number_reflns         12051
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      1.029
_refine_ls_R_factor_all          0.1149
_refine_ls_R_factor_gt           0.0557
_refine_ls_shift/su_max          0.001
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'calc w=1/[σ²(Fo²)+(0.0929P)²+0.0000P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1512
_refine_ls_wR_factor_ref         0.1786
_reflns_number_gt                6817
_reflns_number_total             12051
_reflns_threshold_expression     >2σ(I)
_cod_data_source_file            c2jm34661c.txt
_cod_data_source_block           ifmc-24
_cod_depositor_comments
;
The following automatic conversions were performed:

'_symmetry_cell_setting' value 'Monoclinic' changed to 'monoclinic'
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_values 1891 2012-01-12 08:04:46Z andrius 
;
_cod_original_sg_symbol_Hall     -P2yn
_cod_original_sg_symbol_H-M      P21/n
_cod_database_code               7208636
loop_
_symmetry_equiv_pos_as_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'
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
C1 C 0.2245(6) -0.0567(6) 0.4022(3) 0.038(2) Uani 1 1 d .
C2 C 0.1422(6) -0.1296(6) 0.4392(3) 0.041(2) Uani 1 1 d .
C3 C 0.2277(6) -0.1490(6) 0.4577(3) 0.043(2) Uani 1 1 d .
C4 C 0.2468(7) -0.2085(7) 0.4921(3) 0.057(3) Uani 1 1 d .
H4 H 0.3037 -0.2215 0.5041 0.069 Uiso 1 1 calc R
C5 C 0.1812(9) -0.2459(9) 0.5073(4) 0.084(4) Uani 1 1 d .
H5 H 0.1933 -0.2850 0.5307 0.101 Uiso 1 1 calc R
C6 C 0.0930(9) -0.2298(9) 0.4899(4) 0.084(4) Uani 1 1 d .
H6 H 0.0492 -0.2590 0.5014 0.101 Uiso 1 1 calc R
C7 C 0.0727(7) -0.1698(7) 0.4551(3) 0.059(3) Uani 1 1 d .
H7 H 0.0157 -0.1572 0.4431 0.071 Uiso 1 1 calc R
C8 C 0.3737(6) -0.0985(7) 0.4413(3) 0.052(3) Uani 1 1 d .
H8A H 0.3961 -0.1160 0.4166 0.063 Uiso 1 1 calc R
H8B H 0.3960 -0.1457 0.4626 0.063 Uiso 1 1 calc R
C9 C 0.4034(6) 0.0065(6) 0.4550(3) 0.042(2) Uani 1 1 d .
C10 C 0.4572(6) 0.0576(7) 0.4345(3) 0.050(2) Uani 1 1 d .
H10 H 0.4763 0.0289 0.4121 0.060 Uiso 1 1 calc R
C11 C 0.4836(6) 0.1520(7) 0.4468(3) 0.054(3) Uani 1 1 d .
H11 H 0.5201 0.1869 0.4325 0.064 Uiso 1 1 calc R
C12 C 0.4556(5) 0.1951(7) 0.4808(3) 0.044(2) Uani 1 1 d .
C13 C 0.4027(6) 0.1424(7) 0.5014(3) 0.055(3) Uani 1 1 d .
H13 H 0.3838 0.1699 0.5241 0.066 Uiso 1 1 calc R
C14 C 0.3770(6) 0.0480(8) 0.4886(3) 0.056(3) Uani 1 1 d .
H14 H 0.3414 0.0122 0.5031 0.067 Uiso 1 1 calc R
C15 C 0.4810(7) 0.3015(8) 0.4928(3) 0.056(3) Uani 1 1 d .
C16 C 0.1108(5) -0.1606(6) 0.3113(2) 0.036(2) Uani 1 1 d .
C17 C -0.0198(5) -0.2010(6) 0.3176(3) 0.037(2) Uani 1 1 d .
C18 C 0.0220(6) -0.2848(6) 0.3057(2) 0.041(2) Uani 1 1 d .
C19 C -0.0204(7) -0.3786(7) 0.3002(3) 0.055(3) Uani 1 1 d .
H19 H 0.0068 -0.4342 0.2918 0.066 Uiso 1 1 calc R
C20 C -0.1026(8) -0.3819(8) 0.3079(3) 0.067(3) Uani 1 1 d .
H20 H -0.1319 -0.4420 0.3047 0.080 Uiso 1 1 calc R
C21 C -0.1454(7) -0.2998(9) 0.3203(3) 0.067(3) Uani 1 1 d .
H21 H -0.2017 -0.3066 0.3254 0.080 Uiso 1 1 calc R
C22 C -0.1040(6) -0.2055(8) 0.3254(3) 0.055(3) Uani 1 1 d .
H22 H -0.1319 -0.1500 0.3335 0.066 Uiso 1 1 calc R
C23 C 0.1754(6) -0.3239(6) 0.2992(2) 0.047(2) Uani 1 1 d .
H23A H 0.2194 -0.2890 0.2874 0.056 Uiso 1 1 calc R
H23B H 0.1542 -0.3778 0.2808 0.056 Uiso 1 1 calc R
C24 C 0.2157(5) -0.3660(6) 0.3404(2) 0.036(2) Uani 1 1 d .
C25 C 0.1861(6) -0.3448(6) 0.3766(3) 0.042(2) Uani 1 1 d .
H25 H 0.1378 -0.3044 0.3759 0.050 Uiso 1 1 calc R
C26 C 0.2266(5) -0.3822(6) 0.4136(2) 0.035(2) Uani 1 1 d .
H26 H 0.2051 -0.3672 0.4374 0.043 Uiso 1 1 calc R
C27 C 0.2983(5) -0.4412(6) 0.4159(2) 0.037(2) Uani 1 1 d .
C28 C 0.3259(6) -0.4645(7) 0.3801(3) 0.047(2) Uani 1 1 d .
H28 H 0.3737 -0.5057 0.3811 0.056 Uiso 1 1 calc R
C29 C 0.2857(6) -0.4296(6) 0.3429(3) 0.045(2) Uani 1 1 d .
H29 H 0.3056 -0.4487 0.3192 0.054 Uiso 1 1 calc R
C30 C 0.3465(6) -0.4714(6) 0.4576(3) 0.038(2) Uani 1 1 d .
C31 C 0.0723(5) 0.2236(6) 0.3601(3) 0.038(2) Uani 1 1 d .
C32 C 0.1262(6) 0.1901(7) 0.4232(3) 0.046(2) Uani 1 1 d .
C33 C 0.1164(5) 0.2912(7) 0.4197(3) 0.045(2) Uani 1 1 d .
C34 C 0.1427(7) 0.3545(8) 0.4527(4) 0.066(3) Uani 1 1 d .
H34 H 0.1394 0.4229 0.4499 0.079 Uiso 1 1 calc R
C35 C 0.1741(7) 0.3100(10) 0.4898(4) 0.087(4) Uani 1 1 d .
H35 H 0.1903 0.3494 0.5129 0.104 Uiso 1 1 calc R
C36 C 0.1822(7) 0.2076(9) 0.4937(3) 0.079(4) Uani 1 1 d .
H36 H 0.2043 0.1804 0.5191 0.094 Uiso 1 1 calc R
C37 C 0.1582(7) 0.1465(8) 0.4608(3) 0.074(4) Uani 1 1 d .
H37 H 0.1631 0.0782 0.4636 0.089 Uiso 1 1 calc R
C38 C 0.0469(6) 0.4076(6) 0.3647(3) 0.049(2) Uani 1 1 d .
H38A H 0.0349 0.4081 0.3349 0.059 Uiso 1 1 calc R
H38B H 0.0884 0.4596 0.3738 0.059 Uiso 1 1 calc R
C39 C -0.0358(6) 0.4267(6) 0.3813(3) 0.044(2) Uani 1 1 d .
C40 C 0.9016(6) 0.3535(7) 0.3791(3) 0.054(3) Uani 1 1 d .
H40 H 0.9115 0.2921 0.3680 0.065 Uiso 1 1 calc R
C41 C 0.8223(6) 0.3708(8) 0.3934(3) 0.054(3) Uani 1 1 d .
H41 H 0.7817 0.3204 0.3931 0.064 Uiso 1 1 calc R
C42 C 0.8067(6) 0.4637(7) 0.4078(2) 0.039(2) Uani 1 1 d .
C43 C 0.8697(6) 0.5350(7) 0.4108(3) 0.053(3) Uani 1 1 d .
H43 H 0.8602 0.5965 0.4219 0.063 Uiso 1 1 calc R
C44 C 0.9476(6) 0.5165(7) 0.3975(3) 0.056(3) Uani 1 1 d .
H44 H 0.9892 0.5661 0.3996 0.067 Uiso 1 1 calc R
C45 C 0.7220(7) 0.4797(9) 0.4216(3) 0.053(3) Uani 1 1 d .
C46 C -0.1079(5) 0.0627(6) 0.3186(2) 0.035(2) Uani 1 1 d .
C47 C -0.1342(6) 0.0319(7) 0.3792(3) 0.046(2) Uani 1 1 d .
C48 C -0.2138(6) 0.0492(7) 0.3542(3) 0.050(2) Uani 1 1 d .
C49 C -0.2905(6) 0.0472(9) 0.3691(3) 0.068(3) Uani 1 1 d .
H49 H -0.3436 0.0578 0.3523 0.082 Uiso 1 1 calc R
C50 C -0.2841(8) 0.0285(10) 0.4107(4) 0.092(4) Uani 1 1 d .
H50 H -0.3347 0.0263 0.4218 0.110 Uiso 1 1 calc R
C51 C -0.2057(8) 0.0129(9) 0.4364(3) 0.081(4) Uani 1 1 d .
H51 H -0.2048 0.0006 0.4642 0.097 Uiso 1 1 calc R
C52 C -0.1289(7) 0.0154(8) 0.4211(3) 0.064(3) Uani 1 1 d .
H52 H -0.0758 0.0064 0.4382 0.076 Uiso 1 1 calc R
C53 C -0.2596(5) 0.0995(7) 0.2806(3) 0.049(2) Uani 1 1 d .
H53A H -0.3069 0.0522 0.2771 0.059 Uiso 1 1 calc R
H53B H -0.2337 0.0981 0.2560 0.059 Uiso 1 1 calc R
C54 C -0.2943(6) 0.1999(7) 0.2859(3) 0.046(2) Uani 1 1 d .
C55 C -0.2422(6) 0.2819(8) 0.2851(3) 0.058(3) Uani 1 1 d .
H55 H -0.1861 0.2742 0.2799 0.070 Uiso 1 1 calc R
C56 C -0.2721(6) 0.3747(8) 0.2920(3) 0.053(3) Uani 1 1 d .
H56 H -0.2371 0.4295 0.2902 0.064 Uiso 1 1 calc R
C57 C -0.3543(6) 0.3877(7) 0.3018(3) 0.050(2) Uani 1 1 d .
C58 C -0.4091(6) 0.3066(8) 0.3008(3) 0.052(3) Uani 1 1 d .
H58 H -0.4657 0.3146 0.3052 0.062 Uiso 1 1 calc R
C59 C -0.3783(6) 0.2140(8) 0.2932(3) 0.058(3) Uani 1 1 d .
H59 H -0.4146 0.1595 0.2929 0.069 Uiso 1 1 calc R
C60 C -0.3845(7) 0.4873(8) 0.3133(3) 0.057(3) Uani 1 1 d .
C61 C 0.2545(5) 0.0050(6) 0.3690(3) 0.043(2) Uani 1 1 d .
H61A H 0.2613 0.0736 0.3775 0.052 Uiso 1 1 calc R
H61B H 0.3095 -0.0192 0.3634 0.052 Uiso 1 1 calc R
C62 C 0.1924(5) -0.1022(6) 0.3132(3) 0.041(2) Uani 1 1 d .
H62A H 0.2401 -0.1391 0.3287 0.050 Uiso 1 1 calc R
H62B H 0.2043 -0.0930 0.2856 0.050 Uiso 1 1 calc R
C63 C -0.0584(5) 0.0765(6) 0.2844(2) 0.037(2) Uani 1 1 d .
H63A H -0.0567 0.0150 0.2694 0.045 Uiso 1 1 calc R
H63B H -0.0859 0.1266 0.2655 0.045 Uiso 1 1 calc R
C64 C 0.0351(5) 0.2111(6) 0.3154(2) 0.037(2) Uani 1 1 d .
H64A H -0.0227 0.2393 0.3101 0.045 Uiso 1 1 calc R
H64B H 0.0704 0.2475 0.2991 0.045 Uiso 1 1 calc R
C65 C 0.1853(5) 0.0766(6) 0.3025(3) 0.040(2) Uani 1 1 d .
H65A H 0.2274 0.0634 0.2847 0.048 Uiso 1 1 calc R
H65B H 0.2012 0.1381 0.3169 0.048 Uiso 1 1 calc R
C66 C 0.0966(5) 0.0867(7) 0.2768(2) 0.043(2) Uani 1 1 d .
H66A H 0.0972 0.1397 0.2571 0.051 Uiso 1 1 calc R
H66B H 0.0818 0.0258 0.2617 0.051 Uiso 1 1 calc R
N1 N 0.1427(4) -0.0705(5) 0.4043(2) 0.0356(16) Uani 1 1 d .
N2 N 0.2790(4) -0.1023(5) 0.4332(2) 0.0397(18) Uani 1 1 d .
N3 N 0.0394(4) -0.1238(5) 0.3217(2) 0.0359(17) Uani 1 1 d .
N4 N 0.1047(4) -0.2568(5) 0.30190(19) 0.0383(17) Uani 1 1 d .
N5 N 0.0977(4) 0.1480(5) 0.3845(2) 0.0390(17) Uani 1 1 d .
N6 N 0.0832(4) 0.3114(5) 0.3794(2) 0.0389(17) Uani 1 1 d .
N7 N -0.0707(4) 0.0398(5) 0.3554(2) 0.0360(16) Uani 1 1 d .
N8 N -0.1950(4) 0.0703(6) 0.3157(2) 0.0447(19) Uani 1 1 d .
N9 N 0.1869(4) -0.0048(5) 0.3325(2) 0.0344(16) Uani 1 1 d .
N10 N 0.0306(4) 0.1078(5) 0.30244(19) 0.0330(16) Uani 1 1 d .
O1 O 0.5402(4) 0.3402(5) 0.4767(2) 0.0548(17) Uani 1 1 d .
O2 O 0.5594(4) 0.6603(4) 0.48092(19) 0.0520(17) Uani 1 1 d .
O1W O 0.5063(6) 0.3902(7) 0.3946(3) 0.111(3) Uani 1 1 d .
O3 O 0.3096(4) -0.4691(5) 0.48769(18) 0.0486(16) Uani 1 1 d .
O4 O 0.4253(4) 0.5037(4) 0.46053(18) 0.0493(16) Uani 1 1 d .
O2W O 0.5257(4) 0.6001(5) 0.3960(2) 0.066(2) Uani 1 1 d .
O3W O -0.3558(8) 0.7237(8) 0.3480(6) 0.232(9) Uani 1 1 d .
O5 O 0.6719(5) 0.4081(6) 0.4232(2) 0.074(2) Uani 1 1 d .
O6 O 0.7048(4) 0.5650(5) 0.4333(2) 0.0559(17) Uani 1 1 d .
O7 O -0.3264(5) 0.5566(5) 0.3134(2) 0.071(2) Uani 1 1 d .
H7A H -0.3459 0.6094 0.3199 0.107 Uiso 1 1 calc R
O8 O -0.4553(5) 0.5009(6) 0.3225(2) 0.076(2) Uani 1 1 d .
Zn1 Zn 0.06182(6) 0.00779(7) 0.35876(3) 0.0343(2) Uani 1 1 d .
Zn2 Zn 0.43762(7) -0.09038(8) 0.28649(4) 0.0530(3) Uani 1 1 d .
Br1 Br 0.32263(8) -0.11591(10) 0.22902(4) 0.0766(4) Uani 1 1 d .
Br2 Br 0.42189(8) -0.20814(10) 0.33916(4) 0.0876(4) Uani 1 1 d .
Br3 Br 0.42939(8) 0.07387(8) 0.31203(4) 0.0733(4) Uani 1 1 d .
Br4 Br 0.57300(8) -0.11564(10) 0.26395(4) 0.0855(4) Uani 1 1 d .
Eu1 Eu 0.57279(3) 0.49840(3) 0.457316(13) 0.04163(15) Uani 0.25 1 d P
Tb1 Tb 0.57279(3) 0.49840(3) 0.457316(13) 0.04163(15) Uani 0.75 1 d P
loop_
_atom_type_symbol
_atom_type_description
_atom_type_scat_dispersion_real
_atom_type_scat_dispersion_imag
_atom_type_scat_source
C C 0.0033 0.0016 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
H H 0.0000 0.0000 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
N N 0.0061 0.0033 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
O O 0.0106 0.0060 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Zn Zn 0.2839 1.4301 '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'
Tb Tb -0.1723 4.1537 '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
N1 C1 N2 112.9(8) . .
N1 C1 C61 123.0(7) . .
N2 C1 C61 124.1(8) . .
C7 C2 C3 120.9(8) . .
C7 C2 N1 130.0(8) . .
C3 C2 N1 109.0(8) . .
C4 C3 N2 132.8(9) . .
C4 C3 C2 121.6(9) . .
N2 C3 C2 105.6(7) . .
C5 C4 C3 117.6(10) . .
C4 C5 C6 123.6(11) . .
C7 C6 C5 119.5(11) . .
C2 C7 C6 116.8(10) . .
N2 C8 C9 109.4(7) . .
C10 C9 C14 119.8(9) . .
C10 C9 C8 120.2(8) . .
C14 C9 C8 119.9(9) . .
C9 C10 C11 120.2(9) . .
C10 C11 C12 120.0(9) . .
C13 C12 C11 119.0(9) . .
C13 C12 C15 121.1(9) . .
C11 C12 C15 119.8(9) . .
C12 C13 C14 120.0(9) . .
C9 C14 C13 120.9(10) . .
O1 C15 O2 127.5(10) . 3_666
O1 C15 C12 117.4(9) . .
O2 C15 C12 115.0(10) 3_666 .
N3 C16 N4 113.4(8) . .
N3 C16 C62 123.1(7) . .
N4 C16 C62 123.4(8) . .
N3 C17 C22 131.0(8) . .
N3 C17 C18 107.4(7) . .
C22 C17 C18 121.5(8) . .
N4 C18 C17 107.2(7) . .
N4 C18 C19 131.1(9) . .
C17 C18 C19 121.6(9) . .
C20 C19 C18 116.3(10) . .
C19 C20 C21 123.3(10) . .
C20 C21 C22 120.9(10) . .
C17 C22 C21 116.4(10) . .
N4 C23 C24 112.8(7) . .
C29 C24 C25 117.0(7) . .
C29 C24 C23 119.7(8) . .
C25 C24 C23 123.4(7) . .
C26 C25 C24 121.3(8) . .
C27 C26 C25 120.9(8) . .
C28 C27 C26 117.8(8) . .
C28 C27 C30 123.1(8) . .
C26 C27 C30 119.0(8) . .
C27 C28 C29 122.3(8) . .
C28 C29 C24 120.5(8) . .
O3 C30 O4 122.0(8) . 1_545
O3 C30 C27 119.9(8) . .
O4 C30 C27 118.1(9) 1_545 .
O3 C30 Tb1 53.8(4) . 3_656
O4 C30 Tb1 68.6(4) 1_545 3_656
C27 C30 Tb1 170.2(6) . 3_656
O3 C30 Eu1 53.8(4) . 3_656
O4 C30 Eu1 68.6(4) 1_545 3_656
C27 C30 Eu1 170.2(6) . 3_656
Tb1 C30 Eu1 0.000(19) 3_656 3_656
N5 C31 N6 113.2(7) . .
N5 C31 C64 122.6(7) . .
N6 C31 C64 124.2(7) . .
C33 C32 C37 120.9(9) . .
C33 C32 N5 108.2(8) . .
C37 C32 N5 131.0(9) . .
N6 C33 C32 107.3(7) . .
N6 C33 C34 130.7(9) . .
C32 C33 C34 121.9(9) . .
C35 C34 C33 116.3(10) . .
C34 C35 C36 121.8(11) . .
C37 C36 C35 121.3(11) . .
C36 C37 C32 117.7(10) . .
N6 C38 C39 109.8(7) . .
C44 C39 C40 118.2(9) 1_455 1_455
C44 C39 C38 121.6(8) 1_455 .
C40 C39 C38 120.2(8) 1_455 .
C39 C40 C41 121.1(9) 1_655 .
C42 C41 C40 118.7(9) . .
C43 C42 C41 119.9(8) . .
C43 C42 C45 122.9(9) . .
C41 C42 C45 117.1(9) . .
C42 C43 C44 120.7(9) . .
C39 C44 C43 121.3(9) 1_655 .
O5 C45 O6 121.6(9) . .
O5 C45 C42 119.9(9) . .
O6 C45 C42 118.4(10) . .
O5 C45 Eu1 58.5(5) . .
O6 C45 Eu1 63.3(5) . .
C42 C45 Eu1 172.4(6) . .
N7 C46 N8 111.7(7) . .
N7 C46 C63 122.4(7) . .
N8 C46 C63 125.9(7) . .
N7 C47 C52 131.0(9) . .
N7 C47 C48 108.2(8) . .
C52 C47 C48 120.7(9) . .
C49 C48 N8 132.1(9) . .
C49 C48 C47 122.3(9) . .
N8 C48 C47 105.6(8) . .
C48 C49 C50 116.1(10) . .
C49 C50 C51 123.0(10) . .
C52 C51 C50 120.5(10) . .
C51 C52 C47 117.3(10) . .
N8 C53 C54 112.0(7) . .
C55 C54 C59 118.3(9) . .
C55 C54 C53 120.2(9) . .
C59 C54 C53 121.4(9) . .
C56 C55 C54 120.8(9) . .
C55 C56 C57 120.7(9) . .
C58 C57 C56 119.2(9) . .
C58 C57 C60 119.6(9) . .
C56 C57 C60 121.2(9) . .
C59 C58 C57 119.1(9) . .
C58 C59 C54 121.8(9) . .
O8 C60 O7 123.9(10) . .
O8 C60 C57 122.8(10) . .
O7 C60 C57 113.2(10) . .
N9 C61 C1 106.0(6) . .
N9 C62 C16 112.2(7) . .
N10 C63 C46 107.9(6) . .
N10 C64 C31 112.8(6) . .
N9 C65 C66 110.7(7) . .
N10 C66 C65 111.5(7) . .
C1 N1 C2 105.5(7) . .
C1 N1 Zn1 111.7(5) . .
C2 N1 Zn1 142.7(6) . .
C1 N2 C3 107.0(7) . .
C1 N2 C8 127.4(8) . .
C3 N2 C8 125.5(7) . .
C16 N3 C17 105.8(7) . .
C16 N3 Zn1 113.3(5) . .
C17 N3 Zn1 135.8(6) . .
C16 N4 C18 106.1(7) . .
C16 N4 C23 126.8(8) . .
C18 N4 C23 125.2(7) . .
C31 N5 C32 105.0(7) . .
C31 N5 Zn1 114.7(5) . .
C32 N5 Zn1 138.8(6) . .
C31 N6 C33 106.3(7) . .
C31 N6 C38 127.9(7) . .
C33 N6 C38 123.9(7) . .
C46 N7 C47 107.6(7) . .
C46 N7 Zn1 112.3(6) . .
C47 N7 Zn1 139.4(6) . .
C46 N8 C48 106.8(7) . .
C46 N8 C53 129.1(7) . .
C48 N8 C53 124.0(7) . .
C62 N9 C61 110.4(6) . .
C62 N9 C65 111.7(6) . .
C61 N9 C65 114.3(6) . .
C62 N9 Zn1 110.4(5) . .
C61 N9 Zn1 103.1(5) . .
C65 N9 Zn1 106.4(5) . .
C64 N10 C66 110.6(7) . .
C64 N10 C63 112.7(6) . .
C66 N10 C63 114.8(6) . .
C64 N10 Zn1 109.5(5) . .
C66 N10 Zn1 106.2(5) . .
C63 N10 Zn1 102.4(5) . .
C15 O1 Eu1 135.6(6) . .
C15 O2 Eu1 133.7(7) 3_666 .
C30 O3 Tb1 101.6(5) . 3_656
C30 O3 Eu1 101.6(5) . 3_656
Tb1 O3 Eu1 0.00(3) 3_656 3_656
C30 O4 Eu1 164.7(6) 1_565 .
C30 O4 Tb1 85.6(5) 1_565 3_666
Eu1 O4 Tb1 101.7(2) . 3_666
C30 O4 Eu1 85.6(5) 1_565 3_666
Eu1 O4 Eu1 101.7(2) . 3_666
Tb1 O4 Eu1 0.00(3) 3_666 3_666
C45 O5 Eu1 95.1(6) . .
C45 O6 Eu1 90.0(6) . .
N1 Zn1 N7 128.0(3) . .
N1 Zn1 N5 94.4(2) . .
N7 Zn1 N5 91.7(3) . .
N1 Zn1 N3 90.7(3) . .
N7 Zn1 N3 94.3(3) . .
N5 Zn1 N3 167.2(3) . .
N1 Zn1 N9 77.3(2) . .
N7 Zn1 N9 154.0(2) . .
N5 Zn1 N9 91.9(3) . .
N3 Zn1 N9 77.8(2) . .
N1 Zn1 N10 155.3(3) . .
N7 Zn1 N10 76.3(2) . .
N5 Zn1 N10 78.6(2) . .
N3 Zn1 N10 91.9(2) . .
N9 Zn1 N10 79.2(2) . .
Br3 Zn2 Br4 110.34(6) . .
Br3 Zn2 Br2 109.96(7) . .
Br4 Zn2 Br2 109.72(6) . .
Br3 Zn2 Br1 109.50(6) . .
Br4 Zn2 Br1 108.57(6) . .
Br2 Zn2 Br1 108.73(6) . .
O1 Eu1 O4 75.4(2) . .
O1 Eu1 O2 137.2(2) . .
O4 Eu1 O2 79.1(2) . .
O1 Eu1 O3 79.3(2) . 3_656
O4 Eu1 O3 127.7(2) . 3_656
O2 Eu1 O3 90.1(2) . 3_656
O1 Eu1 O5 81.5(3) . .
O4 Eu1 O5 139.6(2) . .
O2 Eu1 O5 137.1(2) . .
O3 Eu1 O5 78.2(2) 3_656 .
O1 Eu1 O2W 134.2(2) . .
O4 Eu1 O2W 81.9(2) . .
O2 Eu1 O2W 73.8(2) . .
O3 Eu1 O2W 143.6(2) 3_656 .
O5 Eu1 O2W 91.5(3) . .
O1 Eu1 O6 130.7(2) . .
O4 Eu1 O6 151.8(2) . .
O2 Eu1 O6 84.0(2) . .
O3 Eu1 O6 74.3(2) 3_656 .
O5 Eu1 O6 53.0(2) . .
O2W Eu1 O6 71.7(2) . .
O1 Eu1 O1W 68.0(3) . .
O4 Eu1 O1W 77.8(3) . .
O2 Eu1 O1W 137.9(3) . .
O3 Eu1 O1W 131.6(3) 3_656 .
O5 Eu1 O1W 62.9(3) . .
O2W Eu1 O1W 68.6(3) . .
O6 Eu1 O1W 100.9(3) . .
O1 Eu1 O4 71.2(2) . 3_666
O4 Eu1 O4 78.3(2) . 3_666
O2 Eu1 O4 70.3(2) . 3_666
O3 Eu1 O4 50.3(2) 3_656 3_666
O5 Eu1 O4 124.5(2) . 3_666
O2W Eu1 O4 141.5(2) . 3_666
O6 Eu1 O4 116.9(2) . 3_666
O1W Eu1 O4 136.6(3) . 3_666
O1 Eu1 C45 105.8(3) . .
O4 Eu1 C45 157.7(2) . .
O2 Eu1 C45 110.6(3) . .
O3 Eu1 C45 73.4(2) 3_656 .
O5 Eu1 C45 26.4(3) . .
O2W Eu1 C45 81.8(3) . .
O6 Eu1 C45 26.7(3) . .
O1W Eu1 C45 82.2(3) . .
O4 Eu1 C45 123.6(2) 3_666 .
O1 Eu1 C30 72.3(2) . 3_656
O4 Eu1 C30 103.4(3) . 3_656
O2 Eu1 C30 81.0(2) . 3_656
O3 Eu1 C30 24.6(2) 3_656 3_656
O5 Eu1 C30 100.4(3) . 3_656
O2W Eu1 C30 152.8(2) . 3_656
O6 Eu1 C30 96.0(2) . 3_656
O1W Eu1 C30 138.5(3) . 3_656
O4 Eu1 C30 25.8(2) 3_666 3_656
C45 Eu1 C30 98.0(3) . 3_656
O1 Eu1 Tb1 68.13(16) . 3_666
O4 Eu1 Tb1 42.62(14) . 3_666
O2 Eu1 Tb1 69.76(16) . 3_666
O3 Eu1 Tb1 85.57(16) 3_656 3_666
O5 Eu1 Tb1 147.7(2) . 3_666
O2W Eu1 Tb1 117.22(16) . 3_666
O6 Eu1 Tb1 146.88(16) . 3_666
O1W Eu1 Tb1 112.1(2) . 3_666
O4 Eu1 Tb1 35.67(12) 3_666 3_666
C45 Eu1 Tb1 158.98(19) . 3_666
C30 Eu1 Tb1 61.0(2) 3_656 3_666
loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_site_symmetry_2
C1 N1 1.310(10) .
C1 N2 1.365(10) .
C1 C61 1.513(12) .
C2 C7 1.397(12) .
C2 C3 1.398(11) .
C2 N1 1.406(10) .
C3 C4 1.384(12) .
C3 N2 1.387(11) .
C4 C5 1.320(15) .
C5 C6 1.421(16) .
C6 C7 1.398(14) .
C8 N2 1.464(10) .
C8 C9 1.539(12) .
C9 C10 1.357(12) .
C9 C14 1.370(12) .
C10 C11 1.381(13) .
C11 C12 1.402(12) .
C12 C13 1.362(13) .
C12 C15 1.526(13) .
C13 C14 1.381(13) .
C15 O1 1.258(12) .
C15 O2 1.270(11) 3_666
C16 N3 1.322(10) .
C16 N4 1.335(10) .
C16 C62 1.496(11) .
C17 N3 1.388(10) .
C17 C22 1.389(12) .
C17 C18 1.398(12) .
C18 N4 1.377(11) .
C18 C19 1.428(12) .
C19 C20 1.356(14) .
C20 C21 1.394(15) .
C21 C22 1.427(14) .
C23 N4 1.446(10) .
C23 C24 1.511(11) .
C24 C29 1.386(11) .
C24 C25 1.386(11) .
C25 C26 1.375(11) .
C26 C27 1.369(11) .
C27 C28 1.362(11) .
C27 C30 1.512(11) .
C28 C29 1.366(11) .
C30 O3 1.233(10) .
C30 O4 1.267(10) 1_545
C30 Tb1 2.904(8) 3_656
C30 Eu1 2.904(8) 3_656
C31 N5 1.319(10) .
C31 N6 1.342(10) .
C31 C64 1.504(11) .
C32 C33 1.378(12) .
C32 C37 1.391(13) .
C32 N5 1.402(10) .
C33 N6 1.373(11) .
C33 C34 1.393(13) .
C34 C35 1.378(16) .
C35 C36 1.393(16) .
C36 C37 1.364(14) .
C38 N6 1.469(10) .
C38 C39 1.513(12) .
C39 C44 1.369(12) 1_455
C39 C40 1.387(12) 1_455
C40 C39 1.387(12) 1_655
C40 C41 1.423(12) .
C41 C42 1.379(12) .
C42 C43 1.371(13) .
C42 C45 1.491(13) .
C43 C44 1.389(13) .
C44 C39 1.369(12) 1_655
C45 O5 1.254(12) .
C45 O6 1.259(11) .
C45 Eu1 2.806(10) .
C46 N7 1.295(10) .
C46 N8 1.357(10) .
C46 C63 1.487(11) .
C47 N7 1.372(11) .
C47 C52 1.394(12) .
C47 C48 1.394(12) .
C48 C49 1.376(13) .
C48 N8 1.385(11) .
C49 C50 1.382(15) .
C50 C51 1.387(15) .
C51 C52 1.384(14) .
C53 N8 1.457(10) .
C53 C54 1.482(12) .
C54 C55 1.379(12) .
C54 C59 1.392(12) .
C55 C56 1.372(13) .
C56 C57 1.391(12) .
C57 C58 1.390(13) .
C57 C60 1.497(14) .
C58 C59 1.380(13) .
C60 O8 1.214(12) .
C60 O7 1.306(12) .
C61 N9 1.471(10) .
C62 N9 1.471(10) .
C63 N10 1.482(10) .
C64 N10 1.459(10) .
C65 N9 1.479(10) .
C65 C66 1.506(11) .
C66 N10 1.473(10) .
N1 Zn1 2.084(6) .
N3 Zn1 2.155(7) .
N5 Zn1 2.114(7) .
N7 Zn1 2.107(7) .
N9 Zn1 2.282(6) .
N10 Zn1 2.285(6) .
O1 Eu1 2.314(7) .
O2 C15 1.270(11) 3_666
O2 Eu1 2.344(6) .
O1W Eu1 2.604(9) .
O3 Tb1 2.392(6) 3_656
O3 Eu1 2.392(6) 3_656
O4 C30 1.267(10) 1_565
O4 Eu1 2.334(6) .
O4 Tb1 2.711(6) 3_666
O4 Eu1 2.711(6) 3_666
O2W Eu1 2.455(6) .
O5 Eu1 2.402(7) .
O6 Eu1 2.507(6) .
Zn2 Br3 2.3860(17) .
Zn2 Br4 2.3903(16) .
Zn2 Br2 2.4023(17) .
Zn2 Br1 2.4106(17) .
Eu1 O3 2.392(6) 3_656
Eu1 O4 2.711(6) 3_666
Eu1 C30 2.904(8) 3_656
Eu1 Tb1 3.9198(9) 3_666
