#------------------------------------------------------------------------------
#$Date: 2016-03-24 02:12:01 +0200 (Thu, 24 Mar 2016) $
#$Revision: 179561 $
#$URL: svn://www.crystallography.net/cod/cif/4/50/30/4503005.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_4503005
loop_
_publ_author_name
'Liao, Sen'
'Yang, Xiaoping'
'Jones, Richard A.'
_publ_section_title
;
 Self-Assembly of Luminescent Hexanuclear Lanthanide Salen Complexes
;
_journal_issue                   2
_journal_name_full               'Crystal Growth & Design'
_journal_page_first              970
_journal_paper_doi               10.1021/cg201444p
_journal_volume                  12
_journal_year                    2012
_chemical_formula_moiety         'C74 H84 Eu6 N8 O22, 3(C2 H6 O), 2(Cl), O'
_chemical_formula_sum            'C80 H102 Cl2 Eu6 N8 O26'
_chemical_formula_weight         2574.36
_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                96.17(3)
_cell_angle_beta                 105.52(3)
_cell_angle_gamma                108.75(2)
_cell_formula_units_Z            1
_cell_length_a                   11.842(2)
_cell_length_b                   14.830(3)
_cell_length_c                   16.045(3)
_cell_measurement_reflns_used    6629
_cell_measurement_temperature    223(2)
_cell_measurement_theta_max      31.8628
_cell_measurement_theta_min      2.1922
_cell_volume                     2512.5(11)
_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    'XP 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      223(1)
_diffrn_detector_area_resol_mean 13.6612
_diffrn_measured_fraction_theta_full 0.996
_diffrn_measured_fraction_theta_max 0.996
_diffrn_measurement_device_type  'Mercury2 (2x2 bin mode)'
_diffrn_measurement_method       dtprofit.ref
_diffrn_radiation_monochromator  'Graphite Monochromator'
_diffrn_radiation_source         'Sealed tube'
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.710747
_diffrn_reflns_av_R_equivalents  0.0511
_diffrn_reflns_av_sigmaI/netI    0.0563
_diffrn_reflns_limit_h_max       14
_diffrn_reflns_limit_h_min       -14
_diffrn_reflns_limit_k_max       17
_diffrn_reflns_limit_k_min       -17
_diffrn_reflns_limit_l_max       19
_diffrn_reflns_limit_l_min       -19
_diffrn_reflns_number            21848
_diffrn_reflns_theta_full        25.00
_diffrn_reflns_theta_max         25.00
_diffrn_reflns_theta_min         3.07
_exptl_absorpt_coefficient_mu    3.811
_exptl_absorpt_correction_T_max  1.0000
_exptl_absorpt_correction_T_min  0.7046
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details
'DENZO and Scalepack (Otwinoski and Minor, 1997)'
_exptl_crystal_colour            Yellow
_exptl_crystal_density_diffrn    1.702
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       Block
_exptl_crystal_F_000             1258
_exptl_crystal_size_max          0.20
_exptl_crystal_size_mid          0.12
_exptl_crystal_size_min          0.08
_refine_diff_density_max         4.008
_refine_diff_density_min         -4.007
_refine_diff_density_rms         0.172
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.036
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     568
_refine_ls_number_reflns         8815
_refine_ls_number_restraints     44
_refine_ls_restrained_S_all      1.037
_refine_ls_R_factor_all          0.0625
_refine_ls_R_factor_gt           0.0518
_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)+(0.0637P)²+17.9480P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1304
_refine_ls_wR_factor_ref         0.1399
_reflns_number_gt                7467
_reflns_number_total             8815
_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            cg201444p_si_002.cif
_cod_data_source_block           complex-3
_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 'Multi-scan'
changed to 'multi-scan' 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 1715 2011-07-08 13:25:40Z adriana 
;
_cod_original_cell_volume        2512.3(9)
_cod_original_sg_symbol_H-M      P-1
_cod_database_code               4503005
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
Eu1 Eu 0.56040(4) 0.96919(3) 0.32843(3) 0.03063(13) Uani 1 1 d .
Eu2 Eu 0.45352(4) 0.85577(3) 0.48986(3) 0.02851(12) Uani 1 1 d .
Eu3 Eu 0.35819(5) 0.72307(3) 0.26836(3) 0.04574(15) Uani 1 1 d .
Cl1 Cl 0.1213(3) 0.9067(2) 0.3517(2) 0.0716(8) Uani 1 1 d .
N1 N 0.5269(9) 0.6567(5) 0.2751(5) 0.054(2) Uani 1 1 d .
N2 N 0.7727(7) 0.9550(5) 0.3782(5) 0.0418(17) Uani 1 1 d .
N3 N 0.4075(9) 0.9913(6) 0.1936(5) 0.054(2) Uani 1 1 d .
N4 N 0.4540(7) 1.2473(5) 0.4220(5) 0.0419(17) Uani 1 1 d .
O1 O 0.2677(9) 0.5746(5) 0.1872(5) 0.078(3) Uani 1 1 d .
O2 O 0.5551(6) 0.8240(4) 0.3841(4) 0.0387(13) Uani 1 1 d .
O3 O 0.6973(6) 1.1006(5) 0.3038(5) 0.0539(17) Uani 1 1 d .
O4 O 0.4945(7) 0.8373(4) 0.2116(4) 0.0475(15) Uani 1 1 d .
O5 O 0.4780(6) 1.0825(4) 0.3638(4) 0.0404(14) Uani 1 1 d .
O6 O 0.6421(6) 1.3098(4) 0.5927(4) 0.0405(14) Uani 1 1 d .
O7 O 0.3661(6) 0.8674(4) 0.3434(4) 0.0406(14) Uani 1 1 d .
H7B H 0.2923 0.8863 0.3278 0.049 Uiso 1 1 calc R
O8 O 0.6077(5) 1.0087(4) 0.4831(4) 0.0369(13) Uani 1 1 d .
H8D H 0.6949 1.0197 0.5168 0.044 Uiso 1 1 calc R
O9 O 0.1332(8) 0.6939(7) 0.2761(6) 0.087(3) Uani 1 1 d .
O10 O 0.2712(6) 0.7832(5) 0.5362(5) 0.0574(19) Uani 1 1 d .
H10C H 0.2632 0.8341 0.5538 0.069 Uiso 1 1 calc R
O11 O 0.2186(8) 0.7468(6) 0.1337(6) 0.083(3) Uani 1 1 d .
H11B H 0.1625 0.7535 0.1516 0.099 Uiso 1 1 calc R
C1 C 0.2806(16) 0.4925(8) 0.1721(8) 0.076(4) Uani 1 1 d .
C2 C 0.1792(17) 0.4071(8) 0.1271(9) 0.103(6) Uani 1 1 d .
H2A H 0.0999 0.4111 0.1094 0.123 Uiso 1 1 calc R
C3 C 0.1861(18) 0.3195(9) 0.1070(10) 0.091(5) Uani 1 1 d .
H3A H 0.1147 0.2656 0.0746 0.109 Uiso 1 1 calc R
C4 C 0.3051(16) 0.3119(7) 0.1366(8) 0.079(4) Uani 1 1 d .
H4A H 0.3118 0.2513 0.1256 0.095 Uiso 1 1 calc R
C5 C 0.4144(16) 0.3941(8) 0.1826(8) 0.083(4) Uani 1 1 d .
H5A H 0.4934 0.3894 0.2002 0.100 Uiso 1 1 calc R
C6 C 0.3987(15) 0.4855(7) 0.2013(7) 0.069(4) Uani 1 1 d .
C7 C 0.5187(13) 0.5679(7) 0.2493(7) 0.064(3) Uani 1 1 d .
H7A H 0.5929 0.5553 0.2618 0.077 Uiso 1 1 calc R
C8 C 0.6517(12) 0.7304(8) 0.3171(7) 0.061(3) Uani 1 1 d .
H8A H 0.6731 0.7711 0.2760 0.073 Uiso 1 1 calc R
H8B H 0.7125 0.6988 0.3314 0.073 Uiso 1 1 calc R
C9 C 0.6603(9) 0.7943(6) 0.4016(6) 0.040(2) Uani 1 1 d .
H9A H 0.6577 0.7560 0.4476 0.048 Uiso 1 1 calc R
C10 C 0.7797(9) 0.8847(7) 0.4354(6) 0.045(2) Uani 1 1 d .
H10A H 0.7909 0.9144 0.4953 0.054 Uiso 1 1 calc R
H10B H 0.8518 0.8666 0.4363 0.054 Uiso 1 1 calc R
C11 C 0.8709(9) 0.9966(7) 0.3583(6) 0.043(2) Uani 1 1 d .
H11A H 0.9394 0.9780 0.3794 0.052 Uiso 1 1 calc R
C12 C 0.8860(9) 1.0719(7) 0.3045(6) 0.044(2) Uani 1 1 d .
C13 C 0.9956(9) 1.0982(7) 0.2804(7) 0.055(3) Uani 1 1 d .
H13A H 1.0524 1.0673 0.2979 0.066 Uiso 1 1 calc R
C14 C 1.0218(10) 1.1689(8) 0.2315(8) 0.063(3) Uani 1 1 d .
H14A H 1.0947 1.1855 0.2157 0.076 Uiso 1 1 calc R
C15 C 0.9350(10) 1.2147(8) 0.2065(7) 0.057(3) Uani 1 1 d .
H15A H 0.9496 1.2618 0.1727 0.069 Uiso 1 1 calc R
C16 C 0.8284(10) 1.1907(8) 0.2314(7) 0.058(3) Uani 1 1 d .
H16A H 0.7737 1.2236 0.2152 0.070 Uiso 1 1 calc R
C17 C 0.7988(9) 1.1191(6) 0.2800(6) 0.044(2) Uani 1 1 d .
C18 C 0.4782(10) 0.8300(7) 0.1237(6) 0.052(2) Uani 1 1 d .
C19 C 0.5134(12) 0.7593(8) 0.0812(6) 0.061(3) Uani 1 1 d .
H19A H 0.5455 0.7195 0.1133 0.074 Uiso 1 1 calc R
C20 C 0.4999(15) 0.7496(10) -0.0078(8) 0.085(4) Uani 1 1 d .
H20A H 0.5233 0.7033 -0.0352 0.102 Uiso 1 1 calc R
C21 C 0.4519(14) 0.8082(10) -0.0567(7) 0.076(4) Uani 1 1 d .
H21A H 0.4424 0.8010 -0.1167 0.091 Uiso 1 1 calc R
C22 C 0.4186(13) 0.8765(9) -0.0158(7) 0.075(4) Uani 1 1 d .
H22A H 0.3871 0.9161 -0.0487 0.090 Uiso 1 1 calc R
C23 C 0.4307(11) 0.8886(8) 0.0744(6) 0.056(3) Uani 1 1 d .
C24 C 0.3882(12) 0.9592(8) 0.1106(6) 0.060(3) Uani 1 1 d .
H24A H 0.3418 0.9849 0.0701 0.072 Uiso 1 1 calc R
C25 C 0.3393(11) 1.0528(8) 0.2169(7) 0.061(3) Uani 1 1 d .
H25A H 0.2636 1.0132 0.2274 0.073 Uiso 1 1 calc R
H25B H 0.3153 1.0845 0.1690 0.073 Uiso 1 1 calc R
C26 C 0.4247(10) 1.1267(7) 0.2981(6) 0.050(2) Uani 1 1 d .
H26A H 0.4929 1.1726 0.2831 0.060 Uiso 1 1 calc R
C27 C 0.3592(9) 1.1847(7) 0.3399(6) 0.044(2) Uani 1 1 d .
H27A H 0.3301 1.2236 0.3005 0.053 Uiso 1 1 calc R
H27B H 0.2876 1.1410 0.3521 0.053 Uiso 1 1 calc R
C28 C 0.4986(9) 1.3383(6) 0.4240(6) 0.042(2) Uani 1 1 d .
H28A H 0.4594 1.3587 0.3753 0.051 Uiso 1 1 calc R
C29 C 0.6020(9) 1.4140(6) 0.4922(6) 0.043(2) Uani 1 1 d .
C30 C 0.6356(10) 1.5091(7) 0.4756(8) 0.055(3) Uani 1 1 d .
H30A H 0.5902 1.5197 0.4231 0.066 Uiso 1 1 calc R
C31 C 0.7328(11) 1.5852(7) 0.5343(8) 0.062(3) Uani 1 1 d .
H31A H 0.7522 1.6475 0.5225 0.075 Uiso 1 1 calc R
C32 C 0.8028(10) 1.5698(7) 0.6119(7) 0.056(3) Uani 1 1 d .
H32A H 0.8704 1.6219 0.6512 0.067 Uiso 1 1 calc R
C33 C 0.7744(10) 1.4791(7) 0.6317(7) 0.052(2) Uani 1 1 d .
H33A H 0.8232 1.4707 0.6841 0.062 Uiso 1 1 calc R
C34 C 0.6716(8) 1.3977(6) 0.5733(6) 0.039(2) Uani 1 1 d .
C35 C 0.0405(16) 0.7349(16) 0.5000(14) 0.148(8) Uani 1 1 d .
H35A H -0.0361 0.6794 0.4726 0.223 Uiso 1 1 calc R
H35B H 0.0391 0.7865 0.4689 0.223 Uiso 1 1 calc R
H35C H 0.0478 0.7565 0.5605 0.223 Uiso 1 1 calc R
C36 C 0.1492(11) 0.7075(11) 0.4972(11) 0.091(4) Uani 1 1 d .
H36B H 0.1472 0.6538 0.5270 0.109 Uiso 1 1 calc R
H36A H 0.1388 0.6840 0.4358 0.109 Uiso 1 1 calc R
C37 C 0.1626(18) 0.6846(13) 0.0436(12) 0.128(6) Uani 1 1 d .
H37A H 0.1127 0.7129 0.0054 0.192 Uiso 1 1 calc R
H37B H 0.1103 0.6208 0.0457 0.192 Uiso 1 1 calc R
H37C H 0.2285 0.6799 0.0213 0.192 Uiso 1 1 calc R
O12 O 0.734(2) 0.4930(18) 0.1796(17) 0.125(8) Uani 0.50 1 d PU
H12B H 0.7553 0.5297 0.1471 0.187 Uiso 0.50 1 calc PR
C38 C 0.847(4) 0.456(3) 0.309(3) 0.131(13) Uani 0.50 1 d PU
H38A H 0.9165 0.4349 0.3304 0.196 Uiso 0.50 1 calc PR
H38B H 0.7717 0.4085 0.3126 0.196 Uiso 0.50 1 calc PR
H38C H 0.8637 0.5176 0.3445 0.196 Uiso 0.50 1 calc PR
C39 C 0.831(4) 0.464(3) 0.217(3) 0.127(12) Uani 0.50 1 d PU
H39A H 0.9082 0.5102 0.2140 0.152 Uiso 0.50 1 calc PR
H39B H 0.8162 0.4013 0.1822 0.152 Uiso 0.50 1 calc PR
O13 O 0.0571(13) 0.8391(10) 0.1467(9) 0.138(4) Uani 1 1 d DU
H13B H 0.0911 0.8701 0.1979 0.208 Uiso 1 1 calc R
C40 C -0.143(3) 0.886(2) 0.090(2) 0.232(14) Uani 1 1 d DU
H40A H -0.1761 0.9242 0.0531 0.348 Uiso 1 1 calc R
H40B H -0.1399 0.9064 0.1496 0.348 Uiso 1 1 calc R
H40C H -0.1960 0.8183 0.0683 0.348 Uiso 1 1 calc R
C41 C -0.008(3) 0.900(2) 0.088(2) 0.236(14) Uani 1 1 d DU
H41A H 0.0440 0.9682 0.1087 0.283 Uiso 1 1 calc R
H41B H -0.0121 0.8805 0.0274 0.283 Uiso 1 1 calc R
O1W O 0.686(3) 0.553(2) 0.0679(18) 0.148(9) 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'
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
O3 Eu1 O5 81.0(2) . .
O3 Eu1 O4 110.0(2) . .
O5 Eu1 O4 134.0(2) . .
O3 Eu1 O8 102.0(2) . .
O5 Eu1 O8 70.4(2) . .
O4 Eu1 O8 141.8(2) . .
O3 Eu1 O7 157.7(2) . .
O5 Eu1 O7 78.7(2) . .
O4 Eu1 O7 78.5(2) . .
O8 Eu1 O7 79.7(2) . .
O3 Eu1 O2 140.3(2) . .
O5 Eu1 O2 129.12(19) . .
O4 Eu1 O2 70.0(2) . .
O8 Eu1 O2 72.06(19) . .
O7 Eu1 O2 61.7(2) . .
O3 Eu1 N2 73.2(2) . .
O5 Eu1 N2 135.2(2) . .
O4 Eu1 N2 89.7(2) . .
O8 Eu1 N2 79.8(2) . .
O7 Eu1 N2 128.4(2) . .
O2 Eu1 N2 67.0(2) . .
O3 Eu1 N3 82.6(3) . .
O5 Eu1 N3 67.3(2) . .
O4 Eu1 N3 70.0(2) . .
O8 Eu1 N3 136.2(2) . .
O7 Eu1 N3 81.2(3) . .
O2 Eu1 N3 129.5(2) . .
N2 Eu1 N3 140.9(3) . .
O3 Eu1 C26 72.7(3) . .
O5 Eu1 C26 22.1(2) . .
O4 Eu1 C26 116.5(2) . .
O8 Eu1 C26 92.3(2) . .
O7 Eu1 C26 85.1(2) . .
O2 Eu1 C26 144.9(2) . .
N2 Eu1 C26 142.5(3) . .
N3 Eu1 C26 46.9(2) . .
O3 Eu1 Eu2 85.89(18) . 2_676
O5 Eu1 Eu2 33.58(15) . 2_676
O4 Eu1 Eu2 159.77(17) . 2_676
O8 Eu1 Eu2 37.61(13) . 2_676
O7 Eu1 Eu2 82.29(14) . 2_676
O2 Eu1 Eu2 106.15(13) . 2_676
N2 Eu1 Eu2 107.38(17) . 2_676
N3 Eu1 Eu2 100.87(18) . 2_676
C26 Eu1 Eu2 54.95(16) . 2_676
O5 Eu2 O7 150.37(19) 2_676 .
O5 Eu2 O8 70.7(2) 2_676 2_676
O7 Eu2 O8 80.2(2) . 2_676
O5 Eu2 O6 131.1(2) 2_676 2_676
O7 Eu2 O6 75.3(2) . 2_676
O8 Eu2 O6 138.0(2) 2_676 2_676
O5 Eu2 O2 134.0(2) 2_676 .
O7 Eu2 O2 62.3(2) . .
O8 Eu2 O2 127.77(18) 2_676 .
O6 Eu2 O2 67.55(19) 2_676 .
O5 Eu2 O10 76.0(2) 2_676 .
O7 Eu2 O10 103.9(2) . .
O8 Eu2 O10 78.5(2) 2_676 .
O6 Eu2 O10 75.0(2) 2_676 .
O2 Eu2 O10 142.2(2) . .
O5 Eu2 O8 84.9(2) 2_676 .
O7 Eu2 O8 78.9(2) . .
O8 Eu2 O8 67.6(2) 2_676 .
O6 Eu2 O8 137.27(19) 2_676 .
O2 Eu2 O8 70.40(19) . .
O10 Eu2 O8 145.1(2) . .
O5 Eu2 N4 67.6(2) 2_676 2_676
O7 Eu2 N4 141.9(2) . 2_676
O8 Eu2 N4 137.7(2) 2_676 2_676
O6 Eu2 N4 71.3(2) 2_676 2_676
O2 Eu2 N4 87.8(2) . 2_676
O10 Eu2 N4 85.0(2) . 2_676
O8 Eu2 N4 114.6(2) . 2_676
O5 Eu2 C26 20.8(2) 2_676 2_676
O7 Eu2 C26 171.2(2) . 2_676
O8 Eu2 C26 91.3(2) 2_676 2_676
O6 Eu2 C26 113.0(2) 2_676 2_676
O2 Eu2 C26 122.7(2) . 2_676
O10 Eu2 C26 76.4(3) . 2_676
O8 Eu2 C26 95.7(2) . 2_676
N4 Eu2 C26 46.8(2) 2_676 2_676
O5 Eu2 Eu1 34.30(14) 2_676 2_676
O7 Eu2 Eu1 117.26(14) . 2_676
O8 Eu2 Eu1 37.13(14) 2_676 2_676
O6 Eu2 Eu1 143.46(14) 2_676 2_676
O2 Eu2 Eu1 148.96(14) . 2_676
O10 Eu2 Eu1 68.72(16) . 2_676
O8 Eu2 Eu1 78.99(13) . 2_676
N4 Eu2 Eu1 100.58(17) 2_676 2_676
C26 Eu2 Eu1 54.37(16) 2_676 2_676
O5 Eu2 Eu2 75.49(15) 2_676 2_676
O7 Eu2 Eu2 77.41(14) . 2_676
O8 Eu2 Eu2 34.30(13) 2_676 2_676
O6 Eu2 Eu2 152.75(14) 2_676 2_676
O2 Eu2 Eu2 99.14(13) . 2_676
O10 Eu2 Eu2 112.43(16) . 2_676
O8 Eu2 Eu2 33.27(13) . 2_676
N4 Eu2 Eu2 133.85(18) 2_676 2_676
C26 Eu2 Eu2 94.24(18) 2_676 2_676
Eu1 Eu2 Eu2 53.87(2) 2_676 2_676
O1 Eu3 O7 156.1(3) . .
O1 Eu3 O6 100.1(2) . 2_676
O7 Eu3 O6 77.6(2) . 2_676
O1 Eu3 O4 115.2(2) . .
O7 Eu3 O4 79.3(2) . .
O6 Eu3 O4 136.4(2) 2_676 .
O1 Eu3 O2 139.1(3) . .
O7 Eu3 O2 62.5(2) . .
O6 Eu3 O2 68.2(2) 2_676 .
O4 Eu3 O2 68.5(2) . .
O1 Eu3 N1 73.2(3) . .
O7 Eu3 N1 130.1(2) . .
O6 Eu3 N1 89.3(2) 2_676 .
O4 Eu3 N1 78.2(2) . .
O2 Eu3 N1 67.9(2) . .
O1 Eu3 O11 78.3(3) . .
O7 Eu3 O11 88.4(2) . .
O6 Eu3 O11 140.3(3) 2_676 .
O4 Eu3 O11 74.6(3) . .
O2 Eu3 O11 136.1(2) . .
N1 Eu3 O11 126.5(3) . .
O1 Eu3 O9 83.1(3) . .
O7 Eu3 O9 73.5(3) . .
O6 Eu3 O9 72.9(3) 2_676 .
O4 Eu3 O9 133.3(3) . .
O2 Eu3 O9 125.8(2) . .
N1 Eu3 O9 147.3(3) . .
O11 Eu3 O9 67.5(3) . .
C7 N1 C8 117.7(10) . .
C7 N1 Eu3 129.9(8) . .
C8 N1 Eu3 112.4(5) . .
C11 N2 C10 116.8(8) . .
C11 N2 Eu1 129.4(6) . .
C10 N2 Eu1 113.7(5) . .
C24 N3 C25 118.6(8) . .
C24 N3 Eu1 128.2(7) . .
C25 N3 Eu1 113.1(6) . .
C28 N4 C27 117.3(8) . .
C28 N4 Eu2 130.4(6) . 2_676
C27 N4 Eu2 108.6(5) . 2_676
C1 O1 Eu3 144.2(10) . .
C9 O2 Eu1 121.5(5) . .
C9 O2 Eu2 125.6(5) . .
Eu1 O2 Eu2 94.13(19) . .
C9 O2 Eu3 120.2(5) . .
Eu1 O2 Eu3 93.0(2) . .
Eu2 O2 Eu3 94.4(2) . .
C17 O3 Eu1 136.0(6) . .
C18 O4 Eu1 132.9(6) . .
C18 O4 Eu3 122.9(6) . .
Eu1 O4 Eu3 96.8(2) . .
C26 O5 Eu2 124.7(5) . 2_676
C26 O5 Eu1 120.4(5) . .
Eu2 O5 Eu1 112.1(2) 2_676 .
C34 O6 Eu3 125.7(5) . 2_676
C34 O6 Eu2 136.1(5) . 2_676
Eu3 O6 Eu2 97.54(19) 2_676 2_676
Eu3 O7 Eu2 100.0(2) . .
Eu3 O7 Eu1 96.8(2) . .
Eu2 O7 Eu1 95.9(2) . .
Eu3 O7 H7B 119.7 . .
Eu2 O7 H7B 119.7 . .
Eu1 O7 H7B 119.7 . .
Eu1 O8 Eu2 105.3(2) . 2_676
Eu1 O8 Eu2 94.6(2) . .
Eu2 O8 Eu2 112.4(2) 2_676 .
Eu1 O8 H8D 114.2 . .
Eu2 O8 H8D 114.2 2_676 .
Eu2 O8 H8D 114.2 . .
C36 O10 Eu2 136.4(7) . .
C36 O10 H10C 109.5 . .
Eu2 O10 H10C 97.2 . .
C37 O11 Eu3 128.8(9) . .
C37 O11 H11B 109.5 . .
Eu3 O11 H11B 101.2 . .
O1 C1 C2 122.3(16) . .
O1 C1 C6 120.7(12) . .
C2 C1 C6 117.0(13) . .
C3 C2 C1 125.6(19) . .
C3 C2 H2A 117.2 . .
C1 C2 H2A 117.2 . .
C2 C3 C4 117.6(15) . .
C2 C3 H3A 121.2 . .
C4 C3 H3A 121.2 . .
C3 C4 C5 121.5(12) . .
C3 C4 H4A 119.3 . .
C5 C4 H4A 119.3 . .
C4 C5 C6 117.3(15) . .
C4 C5 H5A 121.4 . .
C6 C5 H5A 121.4 . .
C1 C6 C5 121.0(12) . .
C1 C6 C7 125.5(10) . .
C5 C6 C7 113.5(14) . .
N1 C7 C6 124.2(12) . .
N1 C7 H7A 117.9 . .
C6 C7 H7A 117.9 . .
N1 C8 C9 112.1(8) . .
N1 C8 H8A 109.2 . .
C9 C8 H8A 109.2 . .
N1 C8 H8B 109.2 . .
C9 C8 H8B 109.2 . .
H8A C8 H8B 107.9 . .
O2 C9 C10 108.5(6) . .
O2 C9 C8 108.8(8) . .
C10 C9 C8 112.7(8) . .
O2 C9 H9A 108.9 . .
C10 C9 H9A 108.9 . .
C8 C9 H9A 108.9 . .
N2 C10 C9 110.4(7) . .
N2 C10 H10A 109.6 . .
C9 C10 H10A 109.6 . .
N2 C10 H10B 109.6 . .
C9 C10 H10B 109.6 . .
H10A C10 H10B 108.1 . .
N2 C11 C12 125.8(8) . .
N2 C11 H11A 117.1 . .
C12 C11 H11A 117.1 . .
C13 C12 C17 120.2(8) . .
C13 C12 C11 116.2(9) . .
C17 C12 C11 123.6(8) . .
C14 C13 C12 121.8(10) . .
C14 C13 H13A 119.1 . .
C12 C13 H13A 119.1 . .
C13 C14 C15 117.9(9) . .
C13 C14 H14A 121.1 . .
C15 C14 H14A 121.1 . .
C16 C15 C14 120.7(9) . .
C16 C15 H15A 119.7 . .
C14 C15 H15A 119.7 . .
C15 C16 C17 122.7(10) . .
C15 C16 H16A 118.6 . .
C17 C16 H16A 118.6 . .
O3 C17 C16 120.2(9) . .
O3 C17 C12 123.1(8) . .
C16 C17 C12 116.7(8) . .
O4 C18 C23 123.2(9) . .
O4 C18 C19 117.8(9) . .
C23 C18 C19 118.9(9) . .
C20 C19 C18 120.1(10) . .
C20 C19 H19A 120.0 . .
C18 C19 H19A 120.0 . .
C19 C20 C21 120.6(11) . .
C19 C20 H20A 119.7 . .
C21 C20 H20A 119.7 . .
C22 C21 C20 119.4(10) . .
C22 C21 H21A 120.3 . .
C20 C21 H21A 120.3 . .
C21 C22 C23 121.7(11) . .
C21 C22 H22A 119.2 . .
C23 C22 H22A 119.2 . .
C18 C23 C22 119.3(9) . .
C18 C23 C24 123.0(9) . .
C22 C23 C24 117.7(9) . .
N3 C24 C23 127.0(9) . .
N3 C24 H24A 116.5 . .
C23 C24 H24A 116.5 . .
N3 C25 C26 107.7(9) . .
N3 C25 H25A 110.2 . .
C26 C25 H25A 110.2 . .
N3 C25 H25B 110.2 . .
C26 C25 H25B 110.2 . .
H25A C25 H25B 108.5 . .
O5 C26 C25 110.9(8) . .
O5 C26 C27 106.8(7) . .
C25 C26 C27 113.6(9) . .
O5 C26 Eu1 37.5(3) . .
C25 C26 Eu1 83.7(5) . .
C27 C26 Eu1 143.6(6) . .
O5 C26 Eu2 34.5(4) . 2_676
C25 C26 Eu2 140.3(7) . 2_676
C27 C26 Eu2 76.6(5) . 2_676
Eu1 C26 Eu2 70.68(18) . 2_676
O5 C26 H26A 108.5 . .
C25 C26 H26A 108.5 . .
C27 C26 H26A 108.5 . .
Eu1 C26 H26A 94.5 . .
Eu2 C26 H26A 103.5 2_676 .
N4 C27 C26 105.9(7) . .
N4 C27 H27A 110.6 . .
C26 C27 H27A 110.6 . .
N4 C27 H27B 110.6 . .
C26 C27 H27B 110.6 . .
H27A C27 H27B 108.7 . .
N4 C28 C29 128.5(8) . .
N4 C28 H28A 115.7 . .
C29 C28 H28A 115.7 . .
C30 C29 C34 119.2(9) . .
C30 C29 C28 116.7(9) . .
C34 C29 C28 124.1(8) . .
C31 C30 C29 121.6(10) . .
C31 C30 H30A 119.2 . .
C29 C30 H30A 119.2 . .
C30 C31 C32 119.7(9) . .
C30 C31 H31A 120.2 . .
C32 C31 H31A 120.2 . .
C33 C32 C31 121.3(10) . .
C33 C32 H32A 119.3 . .
C31 C32 H32A 119.3 . .
C32 C33 C34 121.0(10) . .
C32 C33 H33A 119.5 . .
C34 C33 H33A 119.5 . .
O6 C34 C33 121.4(8) . .
O6 C34 C29 121.4(8) . .
C33 C34 C29 117.2(8) . .
C36 C35 H35A 109.5 . .
C36 C35 H35B 109.5 . .
H35A C35 H35B 109.5 . .
C36 C35 H35C 109.5 . .
H35A C35 H35C 109.5 . .
H35B C35 H35C 109.5 . .
O10 C36 C35 116.1(13) . .
O10 C36 H36B 108.3 . .
C35 C36 H36B 108.3 . .
O10 C36 H36A 108.3 . .
C35 C36 H36A 108.3 . .
H36B C36 H36A 107.4 . .
O11 C37 H37A 109.5 . .
O11 C37 H37B 109.5 . .
H37A C37 H37B 109.5 . .
O11 C37 H37C 109.5 . .
H37A C37 H37C 109.5 . .
H37B C37 H37C 109.5 . .
C39 O12 H12B 109.5 . .
C39 C38 H38A 109.5 . .
C39 C38 H38B 109.5 . .
H38A C38 H38B 109.5 . .
C39 C38 H38C 109.5 . .
H38A C38 H38C 109.5 . .
H38B C38 H38C 109.5 . .
O12 C39 C38 115(3) . .
O12 C39 H39A 108.6 . .
C38 C39 H39A 108.6 . .
O12 C39 H39B 108.6 . .
C38 C39 H39B 108.6 . .
H39A C39 H39B 107.6 . .
C41 O13 H13B 109.5 . .
C41 C40 H40A 109.5 . .
C41 C40 H40B 109.5 . .
H40A C40 H40B 109.5 . .
C41 C40 H40C 109.5 . .
H40A C40 H40C 109.5 . .
H40B C40 H40C 109.5 . .
C40 C41 O13 114(2) . .
C40 C41 H41A 108.7 . .
O13 C41 H41A 108.7 . .
C40 C41 H41B 108.7 . .
O13 C41 H41B 108.7 . .
H41A C41 H41B 107.6 . .
loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_site_symmetry_2
Eu1 O3 2.250(6) .
Eu1 O5 2.290(5) .
Eu1 O4 2.323(6) .
Eu1 O8 2.355(6) .
Eu1 O7 2.402(6) .
Eu1 O2 2.407(6) .
Eu1 N2 2.511(7) .
Eu1 N3 2.550(8) .
Eu1 C26 3.243(9) .
Eu1 Eu2 3.7645(13) 2_676
Eu2 O5 2.248(6) 2_676
Eu2 O7 2.350(6) .
Eu2 O8 2.381(5) 2_676
Eu2 O6 2.404(6) 2_676
Eu2 O2 2.414(5) .
Eu2 O10 2.430(6) .
Eu2 O8 2.446(6) .
Eu2 N4 2.500(7) 2_676
Eu2 C26 3.266(9) 2_676
Eu2 Eu1 3.7645(13) 2_676
Eu2 Eu2 4.0125(13) 2_676
Eu3 O1 2.194(7) .
Eu3 O7 2.302(6) .
Eu3 O6 2.334(6) 2_676
Eu3 O4 2.381(6) .
Eu3 O2 2.443(6) .
Eu3 N1 2.479(9) .
Eu3 O11 2.480(9) .
Eu3 O9 2.598(9) .
N1 C7 1.301(12) .
N1 C8 1.450(14) .
N2 C11 1.270(11) .
N2 C10 1.469(11) .
N3 C24 1.298(12) .
N3 C25 1.479(13) .
N4 C28 1.274(11) .
N4 C27 1.460(12) .
N4 Eu2 2.500(7) 2_676
O1 C1 1.280(14) .
O2 C9 1.421(10) .
O3 C17 1.312(11) .
O4 C18 1.359(11) .
O5 C26 1.413(10) .
O5 Eu2 2.248(6) 2_676
O6 C34 1.330(10) .
O6 Eu3 2.334(6) 2_676
O6 Eu2 2.404(6) 2_676
O7 H7B 0.9800 .
O8 Eu2 2.381(5) 2_676
O8 H8D 0.9800 .
O10 C36 1.436(14) .
O10 H10C 0.8200 .
O11 C37 1.479(18) .
O11 H11B 0.8200 .
C1 C2 1.389(18) .
C1 C6 1.393(19) .
C2 C3 1.337(19) .
C2 H2A 0.9300 .
C3 C4 1.41(2) .
C3 H3A 0.9300 .
C4 C5 1.409(19) .
C4 H4A 0.9300 .
C5 C6 1.437(16) .
C5 H5A 0.9300 .
C6 C7 1.485(18) .
C7 H7A 0.9300 .
C8 C9 1.528(13) .
C8 H8A 0.9700 .
C8 H8B 0.9700 .
C9 C10 1.519(13) .
C9 H9A 0.9800 .
C10 H10A 0.9700 .
C10 H10B 0.9700 .
C11 C12 1.478(12) .
C11 H11A 0.9300 .
C12 C13 1.401(13) .
C12 C17 1.420(13) .
C13 C14 1.381(14) .
C13 H13A 0.9300 .
C14 C15 1.403(15) .
C14 H14A 0.9300 .
C15 C16 1.376(13) .
C15 H15A 0.9300 .
C16 C17 1.393(13) .
C16 H16A 0.9300 .
C18 C23 1.386(14) .
C18 C19 1.420(13) .
C19 C20 1.379(15) .
C19 H19A 0.9300 .
C20 C21 1.385(17) .
C20 H20A 0.9300 .
C21 C22 1.365(15) .
C21 H21A 0.9300 .
C22 C23 1.402(14) .
C22 H22A 0.9300 .
C23 C24 1.433(14) .
C24 H24A 0.9300 .
C25 C26 1.481(15) .
C25 H25A 0.9700 .
C25 H25B 0.9700 .
C26 C27 1.541(12) .
C26 Eu2 3.266(9) 2_676
C26 H26A 0.9800 .
C27 H27A 0.9700 .
C27 H27B 0.9700 .
C28 C29 1.446(13) .
C28 H28A 0.9300 .
C29 C30 1.412(12) .
C29 C34 1.433(13) .
C30 C31 1.357(15) .
C30 H30A 0.9300 .
C31 C32 1.386(16) .
C31 H31A 0.9300 .
C32 C33 1.372(13) .
C32 H32A 0.9300 .
C33 C34 1.420(13) .
C33 H33A 0.9300 .
C35 C36 1.48(2) .
C35 H35A 0.9600 .
C35 H35B 0.9600 .
C35 H35C 0.9600 .
C36 H36B 0.9700 .
C36 H36A 0.9700 .
C37 H37A 0.9600 .
C37 H37B 0.9600 .
C37 H37C 0.9600 .
O12 C39 1.36(4) .
O12 H12B 0.8200 .
C38 C39 1.46(5) .
C38 H38A 0.9600 .
C38 H38B 0.9600 .
C38 H38C 0.9600 .
C39 H39A 0.9700 .
C39 H39B 0.9700 .
O13 C41 1.589(18) .
O13 H13B 0.8200 .
C40 C41 1.550(18) .
C40 H40A 0.9600 .
C40 H40B 0.9600 .
C40 H40C 0.9600 .
C41 H41A 0.9700 .
C41 H41B 0.9700 .
