#------------------------------------------------------------------------------
#$Date: 2016-03-26 13:42:56 +0200 (Sat, 26 Mar 2016) $
#$Revision: 180233 $
#$URL: svn://www.crystallography.net/cod/cif/7/11/19/7111905.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_7111905
loop_
_publ_author_name
'Yongqin Wei'
'Qiaohong Li'
'Rongjian Sa'
'Kechen Wu'
_publ_section_title
;
 A white-light-emitting LnMOF with color properties improved via Eu3+
 doping: an alternative approach to a rational design for solid-state
 lighting
;
_journal_name_full               Chem.Commun.
_journal_page_first              1820
_journal_paper_doi               10.1039/c3cc48344d
_journal_volume                  50
_journal_year                    2014
_chemical_formula_sum            'C29 H18 Eu N3 O7 S'
_chemical_formula_weight         704.48
_chemical_name_systematic
; 
 ? 
;
_space_group_IT_number           14
_symmetry_cell_setting           monoclinic
_symmetry_space_group_name_Hall  '-P 2ybc'
_symmetry_space_group_name_H-M   'P 1 21/c 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                 119.828(3)
_cell_angle_gamma                90.00
_cell_formula_units_Z            4
_cell_length_a                   16.365(4)
_cell_length_b                   11.123(3)
_cell_length_c                   16.421(4)
_cell_measurement_reflns_used    5877
_cell_measurement_temperature    293(2)
_cell_measurement_theta_max      27.4971
_cell_measurement_theta_min      2.3255
_cell_volume                     2593.1(11)
_computing_cell_refinement       'CrystalClear (Rigaku Corp., 2000)'
_computing_data_collection       'CrystalClear (Rigaku Corp., 2000)'
_computing_data_reduction        'CrystalClear (Rigaku Corp., 2000)'
_computing_molecular_graphics    'Bruker SHELXTL'
_computing_publication_material  'Bruker SHELXTL'
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 1997)'
_computing_structure_solution    'SHELXS-97 (Sheldrick, 1990)'
_diffrn_ambient_temperature      293(2)
_diffrn_measured_fraction_theta_full 0.989
_diffrn_measured_fraction_theta_max 0.989
_diffrn_measurement_device_type  'Rigaku Mercury CCD'
_diffrn_measurement_method       'ω scans'
_diffrn_radiation_monochromator  graphite
_diffrn_radiation_source         'Rotating Anode'
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_reflns_av_R_equivalents  0.0327
_diffrn_reflns_av_sigmaI/netI    0.0306
_diffrn_reflns_limit_h_max       21
_diffrn_reflns_limit_h_min       -21
_diffrn_reflns_limit_k_max       14
_diffrn_reflns_limit_k_min       -14
_diffrn_reflns_limit_l_max       21
_diffrn_reflns_limit_l_min       -21
_diffrn_reflns_number            20079
_diffrn_reflns_theta_full        27.48
_diffrn_reflns_theta_max         27.48
_diffrn_reflns_theta_min         2.32
_diffrn_standards_decay_%        0
_diffrn_standards_interval_count 0
_diffrn_standards_interval_time  0
_diffrn_standards_number         0
_exptl_absorpt_coefficient_mu    2.555
_exptl_absorpt_correction_T_max  1.0000
_exptl_absorpt_correction_T_min  0.8835
_exptl_absorpt_correction_type   multi-scan
_exptl_crystal_colour            Colorless
_exptl_crystal_density_diffrn    1.805
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       Prism
_exptl_crystal_F_000             1392
_exptl_crystal_size_max          0.156
_exptl_crystal_size_mid          0.070
_exptl_crystal_size_min          0.050
_refine_diff_density_max         4.421
_refine_diff_density_min         -1.719
_refine_diff_density_rms         0.422
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.050
_refine_ls_hydrogen_treatment    CONSTRU
_refine_ls_matrix_type           full
_refine_ls_number_parameters     370
_refine_ls_number_reflns         5886
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      1.050
_refine_ls_R_factor_all          0.0558
_refine_ls_R_factor_gt           0.0408
_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)+(0.0957P)²+11.8940P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1341
_refine_ls_wR_factor_ref         0.1572
_reflns_number_gt                4896
_reflns_number_total             5886
_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            c3cc48344d.txt
_cod_data_source_block           14
_cod_original_cell_volume        2592.9(10)
_cod_original_sg_symbol_H-M      P2(1)/c
_cod_database_code               7111905
loop_
_symmetry_equiv_pos_as_xyz
'x, y, z'
'-x, y+1/2, -z+1/2'
'-x, -y, -z'
'x, -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
Eu1 Eu 0.143650(17) -0.000007(19) 0.058865(17) 0.01402(12) Uani 1 1 d .
S1 S 0.64562(10) 0.17170(15) -0.22958(11) 0.0296(3) Uani 1 1 d .
O1 O 0.5915(4) 0.1601(6) -0.3297(3) 0.0536(15) Uani 1 1 d .
O2 O 0.6836(4) 0.2904(4) -0.1995(5) 0.0534(15) Uani 1 1 d .
O3 O 0.7174(3) 0.0768(4) -0.1868(3) 0.0269(9) Uani 1 1 d .
O4 O 0.0737(3) 0.1685(3) -0.0462(3) 0.0211(8) Uani 1 1 d .
O5 O -0.0830(3) 0.1667(3) -0.1052(3) 0.0230(8) Uani 1 1 d .
O6 O 0.1433(3) 0.4159(4) -0.2970(3) 0.0239(8) Uani 1 1 d .
O7 O 0.0036(3) 0.4367(3) -0.4213(2) 0.0190(7) Uani 1 1 d .
N1 N 0.2495(3) 0.1989(4) 0.1104(3) 0.0223(9) Uani 1 1 d .
N2 N 0.2583(3) 0.0314(4) -0.0068(3) 0.0182(9) Uani 1 1 d .
N3 N 0.1761(3) -0.1823(4) -0.0207(3) 0.0211(9) Uani 1 1 d .
C1 C 0.2420(4) 0.2830(5) 0.1650(4) 0.0296(13) Uani 1 1 d .
H1A H 0.2192 0.2589 0.2055 0.036 Uiso 1 1 calc R
C2 C 0.2652(4) 0.4018(6) 0.1656(4) 0.0306(13) Uani 1 1 d .
H2A H 0.2583 0.4578 0.2054 0.037 Uiso 1 1 calc R
C3 C 0.2987(5) 0.4379(6) 0.1075(5) 0.0377(15) Uani 1 1 d .
H3A H 0.3156 0.5194 0.1064 0.045 Uiso 1 1 calc R
C4 C 0.3070(5) 0.3531(6) 0.0512(5) 0.0361(15) Uani 1 1 d .
H4A H 0.3283 0.3763 0.0092 0.043 Uiso 1 1 calc R
C5 C 0.2848(4) 0.2352(5) 0.0553(4) 0.0226(11) Uani 1 1 d .
C6 C 0.3000(4) 0.1392(5) 0.0007(4) 0.0215(11) Uani 1 1 d .
C7 C 0.3602(4) 0.1607(5) -0.0343(4) 0.0284(12) Uani 1 1 d .
H7A H 0.3883 0.2377 -0.0264 0.034 Uiso 1 1 calc R
C8 C 0.3797(4) 0.0712(5) -0.0805(4) 0.0217(11) Uani 1 1 d .
C9 C 0.3389(4) -0.0397(6) -0.0870(4) 0.0236(11) Uani 1 1 d .
H9A H 0.3516 -0.1047 -0.1165 0.028 Uiso 1 1 calc R
C10 C 0.2790(4) -0.0564(5) -0.0502(4) 0.0187(10) Uani 1 1 d .
C11 C 0.2320(4) -0.1740(5) -0.0594(4) 0.0220(11) Uani 1 1 d .
C12 C 0.2422(5) -0.2707(6) -0.1075(5) 0.0416(17) Uani 1 1 d .
H12A H 0.2829 -0.2639 -0.1330 0.050 Uiso 1 1 calc R
C13 C 0.1939(6) -0.3759(6) -0.1182(6) 0.0439(17) Uani 1 1 d .
H13A H 0.1989 -0.4411 -0.1528 0.053 Uiso 1 1 calc R
C14 C 0.1375(4) -0.3851(5) -0.0772(4) 0.0293(12) Uani 1 1 d .
H14A H 0.1041 -0.4570 -0.0818 0.035 Uiso 1 1 calc R
C15 C 0.1318(4) -0.2871(5) -0.0300(4) 0.0295(13) Uani 1 1 d .
H15A H 0.0935 -0.2937 -0.0018 0.035 Uiso 1 1 calc R
C16 C 0.4452(4) 0.0943(5) -0.1174(4) 0.0250(12) Uani 1 1 d .
C17 C 0.4768(5) 0.2103(6) -0.1186(5) 0.0393(16) Uani 1 1 d .
H17A H 0.4560 0.2747 -0.0954 0.047 Uiso 1 1 calc R
C18 C 0.5370(5) 0.2343(6) -0.1521(5) 0.0400(16) Uani 1 1 d .
H18A H 0.5577 0.3142 -0.1517 0.048 Uiso 1 1 calc R
C19 C 0.5673(4) 0.1413(6) -0.1867(4) 0.0278(12) Uani 1 1 d .
C20 C 0.5372(5) 0.0260(6) -0.1867(5) 0.0295(13) Uani 1 1 d .
H20A H 0.5581 -0.0379 -0.2103 0.035 Uiso 1 1 calc R
C21 C 0.4766(5) 0.0024(5) -0.1526(5) 0.0276(14) Uani 1 1 d .
H21A H 0.4562 -0.0777 -0.1532 0.033 Uiso 1 1 calc R
C22 C -0.0200(4) 0.3134(5) -0.1607(3) 0.0179(10) Uani 1 1 d .
C23 C 0.0326(3) 0.3243(5) -0.2057(3) 0.0173(10) Uani 1 1 d .
H23A H 0.0840 0.2716 -0.1902 0.021 Uiso 1 1 calc R
C24 C 0.0092(4) 0.4134(5) -0.2740(4) 0.0175(10) Uani 1 1 d .
C25 C -0.0580(5) 0.4986(4) -0.2878(5) 0.0221(12) Uani 1 1 d .
H25A H -0.0723 0.5606 -0.3327 0.026 Uiso 1 1 calc R
C26 C -0.1049(5) 0.4947(5) -0.2366(5) 0.0251(13) Uani 1 1 d .
H26A H -0.1473 0.5570 -0.2428 0.030 Uiso 1 1 calc R
C27 C -0.0889(4) 0.3988(5) -0.1764(4) 0.0254(12) Uani 1 1 d .
H27A H -0.1250 0.3911 -0.1458 0.031 Uiso 1 1 calc R
C28 C 0.0551(4) 0.4211(5) -0.3333(4) 0.0176(10) Uani 1 1 d .
C29 C -0.0083(4) 0.2074(5) -0.0987(3) 0.0181(10) Uani 1 1 d .
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'
S S 0.1246 0.1234 '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 78.75(13) 3_655 3
O3 Eu1 O4 145.26(13) 3_655 .
O5 Eu1 O4 134.63(12) 3 .
O3 Eu1 O7 142.04(14) 3_655 2_544
O5 Eu1 O7 72.42(13) 3 2_544
O4 Eu1 O7 70.41(12) . 2_544
O3 Eu1 O6 75.65(13) 3_655 4_566
O5 Eu1 O6 78.26(13) 3 4_566
O4 Eu1 O6 99.16(13) . 4_566
O7 Eu1 O6 120.47(12) 2_544 4_566
O3 Eu1 O7 120.79(13) 3_655 4_566
O5 Eu1 O7 68.62(12) 3 4_566
O4 Eu1 O7 75.06(12) . 4_566
O7 Eu1 O7 70.45(13) 2_544 4_566
O6 Eu1 O7 50.71(11) 4_566 4_566
O3 Eu1 N3 79.52(14) 3_655 .
O5 Eu1 N3 77.11(14) 3 .
O4 Eu1 N3 112.85(14) . .
O7 Eu1 N3 70.48(13) 2_544 .
O6 Eu1 N3 147.84(13) 4_566 .
O7 Eu1 N3 133.95(13) 4_566 .
O3 Eu1 N2 81.02(14) 3_655 .
O5 Eu1 N2 136.90(14) 3 .
O4 Eu1 N2 77.52(13) . .
O7 Eu1 N2 103.70(13) 2_544 .
O6 Eu1 N2 131.97(13) 4_566 .
O7 Eu1 N2 152.32(13) 4_566 .
N3 Eu1 N2 61.95(14) . .
O3 Eu1 N1 80.33(14) 3_655 .
O5 Eu1 N1 147.58(14) 3 .
O4 Eu1 N1 65.57(13) . .
O7 Eu1 N1 135.67(13) 2_544 .
O6 Eu1 N1 72.72(13) 4_566 .
O7 Eu1 N1 102.22(13) 4_566 .
N3 Eu1 N1 122.74(14) . .
N2 Eu1 N1 62.25(14) . .
O3 Eu1 C28 96.76(14) 3_655 4_566
O5 Eu1 C28 68.42(13) 3 4_566
O4 Eu1 C28 89.88(13) . 4_566
O7 Eu1 C28 95.08(13) 2_544 4_566
O6 Eu1 C28 25.41(13) 4_566 4_566
O7 Eu1 C28 25.72(13) 4_566 4_566
N3 Eu1 C28 145.35(14) . 4_566
N2 Eu1 C28 152.11(14) . 4_566
N1 Eu1 C28 89.91(14) . 4_566
O3 Eu1 Eu1 142.34(10) 3_655 3
O5 Eu1 Eu1 65.87(9) 3 3
O4 Eu1 Eu1 68.79(9) . 3
O7 Eu1 Eu1 36.20(8) 2_544 3
O6 Eu1 Eu1 84.60(8) 4_566 3
O7 Eu1 Eu1 34.24(8) 4_566 3
N3 Eu1 Eu1 103.62(10) . 3
N2 Eu1 Eu1 134.15(10) . 3
N1 Eu1 Eu1 124.04(10) . 3
C28 Eu1 Eu1 59.21(10) 4_566 3
O1 S1 O2 113.1(4) . .
O1 S1 O3 112.0(3) . .
O2 S1 O3 112.8(3) . .
O1 S1 C19 106.3(3) . .
O2 S1 C19 108.2(3) . .
O3 S1 C19 103.7(3) . .
S1 O3 Eu1 150.7(3) . 3_655
C29 O4 Eu1 136.2(3) . .
C29 O5 Eu1 142.2(3) . 3
C28 O6 Eu1 94.3(3) . 4_565
C28 O7 Eu1 151.7(3) . 2_554
C28 O7 Eu1 93.0(3) . 4_565
Eu1 O7 Eu1 109.55(13) 2_554 4_565
C1 N1 C5 116.7(5) . .
C1 N1 Eu1 121.8(4) . .
C5 N1 Eu1 117.4(3) . .
C10 N2 C6 116.2(4) . .
C10 N2 Eu1 122.9(3) . .
C6 N2 Eu1 120.9(3) . .
C15 N3 C11 117.3(5) . .
C15 N3 Eu1 120.0(4) . .
C11 N3 Eu1 122.5(3) . .
N1 C1 C2 123.9(5) . .
N1 C1 H1A 118.1 . .
C2 C1 H1A 118.1 . .
C1 C2 C3 118.7(6) . .
C1 C2 H2A 120.6 . .
C3 C2 H2A 120.6 . .
C4 C3 C2 118.2(6) . .
C4 C3 H3A 120.9 . .
C2 C3 H3A 120.9 . .
C5 C4 C3 120.4(6) . .
C5 C4 H4A 119.8 . .
C3 C4 H4A 119.8 . .
N1 C5 C4 122.0(5) . .
N1 C5 C6 116.2(5) . .
C4 C5 C6 121.9(5) . .
N2 C6 C7 123.0(5) . .
N2 C6 C5 117.5(5) . .
C7 C6 C5 119.4(5) . .
C8 C7 C6 120.6(5) . .
C8 C7 H7A 119.7 . .
C6 C7 H7A 119.7 . .
C9 C8 C7 116.8(5) . .
C9 C8 C16 122.7(5) . .
C7 C8 C16 120.5(5) . .
C8 C9 C10 120.2(5) . .
C8 C9 H9A 119.9 . .
C10 C9 H9A 119.9 . .
N2 C10 C9 123.2(5) . .
N2 C10 C11 116.0(4) . .
C9 C10 C11 120.8(5) . .
N3 C11 C12 121.0(5) . .
N3 C11 C10 116.7(5) . .
C12 C11 C10 122.3(5) . .
C13 C12 C11 120.4(6) . .
C13 C12 H12A 119.8 . .
C11 C12 H12A 119.8 . .
C12 C13 C14 118.6(6) . .
C12 C13 H13A 120.7 . .
C14 C13 H13A 120.7 . .
C15 C14 C13 117.7(6) . .
C15 C14 H14A 121.1 . .
C13 C14 H14A 121.1 . .
N3 C15 C14 124.9(5) . .
N3 C15 H15A 117.6 . .
C14 C15 H15A 117.6 . .
C21 C16 C17 117.3(5) . .
C21 C16 C8 122.0(5) . .
C17 C16 C8 120.7(5) . .
C18 C17 C16 122.0(6) . .
C18 C17 H17A 119.0 . .
C16 C17 H17A 119.0 . .
C17 C18 C19 119.6(6) . .
C17 C18 H18A 120.2 . .
C19 C18 H18A 120.2 . .
C20 C19 C18 119.7(5) . .
C20 C19 S1 120.5(5) . .
C18 C19 S1 119.8(5) . .
C19 C20 C21 120.4(6) . .
C19 C20 H20A 119.8 . .
C21 C20 H20A 119.8 . .
C20 C21 C16 121.0(5) . .
C20 C21 H21A 119.5 . .
C16 C21 H21A 119.5 . .
C23 C22 C27 119.9(5) . .
C23 C22 C29 121.5(5) . .
C27 C22 C29 118.5(4) . .
C22 C23 C24 119.5(5) . .
C22 C23 H23A 120.2 . .
C24 C23 H23A 120.2 . .
C25 C24 C23 119.6(5) . .
C25 C24 C28 118.0(5) . .
C23 C24 C28 122.4(5) . .
C24 C25 C26 120.8(5) . .
C24 C25 H25A 119.6 . .
C26 C25 H25A 119.6 . .
C27 C26 C25 119.2(5) . .
C27 C26 H26A 120.4 . .
C25 C26 H26A 120.4 . .
C26 C27 C22 120.2(5) . .
C26 C27 H27A 119.9 . .
C22 C27 H27A 119.9 . .
O6 C28 O7 120.0(4) . .
O6 C28 C24 121.1(4) . .
O7 C28 C24 118.8(4) . .
O6 C28 Eu1 60.3(3) . 4_565
O7 C28 Eu1 61.3(2) . 4_565
C24 C28 Eu1 165.8(3) . 4_565
O4 C29 O5 126.5(5) . .
O4 C29 C22 117.8(4) . .
O5 C29 C22 115.7(5) . .
loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_site_symmetry_2
Eu1 O3 2.359(4) 3_655
Eu1 O5 2.398(4) 3
Eu1 O4 2.416(4) .
Eu1 O7 2.448(4) 2_544
Eu1 O6 2.549(4) 4_566
Eu1 O7 2.569(4) 4_566
Eu1 N3 2.605(4) .
Eu1 N2 2.611(4) .
Eu1 N1 2.675(5) .
Eu1 C28 2.926(5) 4_566
Eu1 Eu1 4.0989(11) 3
S1 O1 1.434(5) .
S1 O2 1.438(5) .
S1 O3 1.471(4) .
S1 C19 1.774(5) .
O3 Eu1 2.359(4) 3_655
O4 C29 1.257(6) .
O5 C29 1.258(6) .
O5 Eu1 2.398(4) 3
O6 C28 1.259(6) .
O6 Eu1 2.549(4) 4_565
O7 C28 1.271(6) .
O7 Eu1 2.448(4) 2_554
O7 Eu1 2.569(4) 4_565
N1 C1 1.343(7) .
N1 C5 1.354(7) .
N2 C10 1.348(7) .
N2 C6 1.354(7) .
N3 C15 1.340(7) .
N3 C11 1.353(6) .
C1 C2 1.373(9) .
C1 H1A 0.9500 .
C2 C3 1.375(9) .
C2 H2A 0.9500 .
C3 C4 1.375(9) .
C3 H3A 0.9500 .
C4 C5 1.371(8) .
C4 H4A 0.9500 .
C5 C6 1.493(7) .
C6 C7 1.386(7) .
C7 C8 1.382(8) .
C7 H7A 0.9500 .
C8 C9 1.381(9) .
C8 C16 1.494(7) .
C9 C10 1.395(7) .
C9 H9A 0.9500 .
C10 C11 1.487(7) .
C11 C12 1.392(8) .
C12 C13 1.374(9) .
C12 H12A 0.9500 .
C13 C14 1.389(9) .
C13 H13A 0.9500 .
C14 C15 1.368(8) .
C14 H14A 0.9500 .
C15 H15A 0.9500 .
C16 C21 1.392(8) .
C16 C17 1.393(9) .
C17 C18 1.374(8) .
C17 H17A 0.9500 .
C18 C19 1.385(9) .
C18 H18A 0.9500 .
C19 C20 1.374(9) .
C20 C21 1.386(9) .
C20 H20A 0.9500 .
C21 H21A 0.9500 .
C22 C23 1.391(7) .
C22 C27 1.396(7) .
C22 C29 1.505(7) .
C23 C24 1.401(7) .
C23 H23A 0.9500 .
C24 C25 1.382(8) .
C24 C28 1.498(6) .
C25 C26 1.394(9) .
C25 H25A 0.9500 .
C26 C27 1.389(7) .
C26 H26A 0.9500 .
C27 H27A 0.9500 .
C28 Eu1 2.926(5) 4_565
loop_
_geom_torsion_atom_site_label_1
_geom_torsion_atom_site_label_2
_geom_torsion_atom_site_label_3
_geom_torsion_atom_site_label_4
_geom_torsion
_geom_torsion_site_symmetry_1
_geom_torsion_site_symmetry_4
O1 S1 O3 Eu1 163.3(5) . 3_655
O2 S1 O3 Eu1 34.4(6) . 3_655
C19 S1 O3 Eu1 -82.5(5) . 3_655
O3 Eu1 O4 C29 -159.7(4) 3_655 .
O5 Eu1 O4 C29 0.8(5) 3 .
O7 Eu1 O4 C29 37.5(5) 2_544 .
O6 Eu1 O4 C29 -81.7(5) 4_566 .
O7 Eu1 O4 C29 -36.7(5) 4_566 .
N3 Eu1 O4 C29 95.1(5) . .
N2 Eu1 O4 C29 147.1(5) . .
N1 Eu1 O4 C29 -147.9(5) . .
C28 Eu1 O4 C29 -58.0(5) 4_566 .
Eu1 Eu1 O4 C29 -1.2(4) 3 .
O3 Eu1 N1 C1 -97.9(5) 3_655 .
O5 Eu1 N1 C1 -47.5(6) 3 .
O4 Eu1 N1 C1 88.9(5) . .
O7 Eu1 N1 C1 96.2(5) 2_544 .
O6 Eu1 N1 C1 -20.0(4) 4_566 .
O7 Eu1 N1 C1 21.8(5) 4_566 .
N3 Eu1 N1 C1 -168.7(4) . .
N2 Eu1 N1 C1 177.3(5) . .
C28 Eu1 N1 C1 -1.0(5) 4_566 .
Eu1 Eu1 N1 C1 50.8(5) 3 .
O3 Eu1 N1 C5 105.8(4) 3_655 .
O5 Eu1 N1 C5 156.2(3) 3 .
O4 Eu1 N1 C5 -67.5(4) . .
O7 Eu1 N1 C5 -60.2(4) 2_544 .
O6 Eu1 N1 C5 -176.4(4) 4_566 .
O7 Eu1 N1 C5 -134.6(4) 4_566 .
N3 Eu1 N1 C5 35.0(4) . .
N2 Eu1 N1 C5 20.9(4) . .
C28 Eu1 N1 C5 -157.4(4) 4_566 .
Eu1 Eu1 N1 C5 -105.6(4) 3 .
O3 Eu1 N2 C10 83.7(4) 3_655 .
O5 Eu1 N2 C10 21.0(5) 3 .
O4 Eu1 N2 C10 -123.8(4) . .
O7 Eu1 N2 C10 -57.8(4) 2_544 .
O6 Eu1 N2 C10 145.1(4) 4_566 .
O7 Eu1 N2 C10 -131.8(4) 4_566 .
N3 Eu1 N2 C10 0.9(4) . .
N1 Eu1 N2 C10 167.5(4) . .
C28 Eu1 N2 C10 171.2(4) 4_566 .
Eu1 Eu1 N2 C10 -80.8(4) 3 .
O3 Eu1 N2 C6 -96.8(4) 3_655 .
O5 Eu1 N2 C6 -159.6(4) 3 .
O4 Eu1 N2 C6 55.7(4) . .
O7 Eu1 N2 C6 121.6(4) 2_544 .
O6 Eu1 N2 C6 -35.5(5) 4_566 .
O7 Eu1 N2 C6 47.7(5) 4_566 .
N3 Eu1 N2 C6 -179.7(4) . .
N1 Eu1 N2 C6 -13.1(4) . .
C28 Eu1 N2 C6 -9.3(6) 4_566 .
Eu1 Eu1 N2 C6 98.7(4) 3 .
O3 Eu1 N3 C15 97.1(4) 3_655 .
O5 Eu1 N3 C15 16.4(4) 3 .
O4 Eu1 N3 C15 -116.9(4) . .
O7 Eu1 N3 C15 -59.3(4) 2_544 .
O6 Eu1 N3 C15 57.3(5) 4_566 .
O7 Eu1 N3 C15 -25.9(5) 4_566 .
N2 Eu1 N3 C15 -177.6(5) . .
N1 Eu1 N3 C15 168.3(4) . .
C28 Eu1 N3 C15 10.4(6) 4_566 .
Eu1 Eu1 N3 C15 -44.5(4) 3 .
O3 Eu1 N3 C11 -87.5(4) 3_655 .
O5 Eu1 N3 C11 -168.2(4) 3 .
O4 Eu1 N3 C11 58.5(4) . .
O7 Eu1 N3 C11 116.1(4) 2_544 .
O6 Eu1 N3 C11 -127.3(4) 4_566 .
O7 Eu1 N3 C11 149.5(4) 4_566 .
N2 Eu1 N3 C11 -2.1(4) . .
N1 Eu1 N3 C11 -16.3(5) . .
C28 Eu1 N3 C11 -174.2(4) 4_566 .
Eu1 Eu1 N3 C11 131.0(4) 3 .
C5 N1 C1 C2 1.9(9) . .
Eu1 N1 C1 C2 -154.7(5) . .
N1 C1 C2 C3 -0.3(10) . .
C1 C2 C3 C4 0.2(10) . .
C2 C3 C4 C5 -1.8(11) . .
C1 N1 C5 C4 -3.5(9) . .
Eu1 N1 C5 C4 154.1(5) . .
C1 N1 C5 C6 175.4(5) . .
Eu1 N1 C5 C6 -27.1(6) . .
C3 C4 C5 N1 3.6(10) . .
C3 C4 C5 C6 -175.2(6) . .
C10 N2 C6 C7 0.5(8) . .
Eu1 N2 C6 C7 -179.0(4) . .
C10 N2 C6 C5 -175.1(5) . .
Eu1 N2 C6 C5 5.4(6) . .
N1 C5 C6 N2 14.8(7) . .
C4 C5 C6 N2 -166.3(6) . .
N1 C5 C6 C7 -160.9(5) . .
C4 C5 C6 C7 17.9(9) . .
N2 C6 C7 C8 0.8(9) . .
C5 C6 C7 C8 176.3(5) . .
C6 C7 C8 C9 -1.9(9) . .
C6 C7 C8 C16 -179.5(5) . .
C7 C8 C9 C10 1.8(8) . .
C16 C8 C9 C10 179.3(5) . .
C6 N2 C10 C9 -0.6(8) . .
Eu1 N2 C10 C9 178.8(4) . .
C6 N2 C10 C11 -179.2(5) . .
Eu1 N2 C10 C11 0.2(6) . .
C8 C9 C10 N2 -0.5(9) . .
C8 C9 C10 C11 178.0(5) . .
C15 N3 C11 C12 0.4(9) . .
Eu1 N3 C11 C12 -175.2(5) . .
C15 N3 C11 C10 178.7(5) . .
Eu1 N3 C11 C10 3.1(7) . .
N2 C10 C11 N3 -2.1(7) . .
C9 C10 C11 N3 179.2(5) . .
N2 C10 C11 C12 176.1(6) . .
C9 C10 C11 C12 -2.5(9) . .
N3 C11 C12 C13 1.4(11) . .
C10 C11 C12 C13 -176.8(7) . .
C11 C12 C13 C14 -2.3(12) . .
C12 C13 C14 C15 1.4(11) . .
C11 N3 C15 C14 -1.3(9) . .
Eu1 N3 C15 C14 174.4(5) . .
C13 C14 C15 N3 0.4(10) . .
C9 C8 C16 C21 -6.4(9) . .
C7 C8 C16 C21 171.0(6) . .
C9 C8 C16 C17 173.0(6) . .
C7 C8 C16 C17 -9.6(9) . .
C21 C16 C17 C18 -0.5(11) . .
C8 C16 C17 C18 -179.9(7) . .
C16 C17 C18 C19 0.4(12) . .
C17 C18 C19 C20 -0.3(11) . .
C17 C18 C19 S1 -179.6(6) . .
O1 S1 C19 C20 72.8(6) . .
O2 S1 C19 C20 -165.4(5) . .
O3 S1 C19 C20 -45.4(6) . .
O1 S1 C19 C18 -107.8(6) . .
O2 S1 C19 C18 14.0(6) . .
O3 S1 C19 C18 134.0(5) . .
C18 C19 C20 C21 0.1(10) . .
S1 C19 C20 C21 179.5(5) . .
C19 C20 C21 C16 -0.2(10) . .
C17 C16 C21 C20 0.4(10) . .
C8 C16 C21 C20 179.8(6) . .
C27 C22 C23 C24 -6.8(8) . .
C29 C22 C23 C24 169.9(5) . .
C22 C23 C24 C25 7.9(8) . .
C22 C23 C24 C28 -172.5(5) . .
C23 C24 C25 C26 -2.0(9) . .
C28 C24 C25 C26 178.4(5) . .
C24 C25 C26 C27 -5.0(10) . .
C25 C26 C27 C22 6.1(9) . .
C23 C22 C27 C26 -0.2(9) . .
C29 C22 C27 C26 -177.0(5) . .
Eu1 O6 C28 O7 14.3(5) 4_565 .
Eu1 O6 C28 C24 -163.6(4) 4_565 .
Eu1 O7 C28 O6 -157.7(5) 2_554 .
Eu1 O7 C28 O6 -14.2(5) 4_565 .
Eu1 O7 C28 C24 20.3(10) 2_554 .
Eu1 O7 C28 C24 163.8(4) 4_565 .
Eu1 O7 C28 Eu1 -143.5(7) 2_554 4_565
C25 C24 C28 O6 131.2(6) . .
C23 C24 C28 O6 -48.4(7) . .
C25 C24 C28 O7 -46.7(7) . .
C23 C24 C28 O7 133.7(5) . .
C25 C24 C28 Eu1 39.8(17) . 4_565
C23 C24 C28 Eu1 -139.7(13) . 4_565
Eu1 O4 C29 O5 5.9(8) . .
Eu1 O4 C29 C22 -174.2(3) . .
Eu1 O5 C29 O4 -10.5(9) 3 .
Eu1 O5 C29 C22 169.6(4) 3 .
C23 C22 C29 O4 39.6(7) . .
C27 C22 C29 O4 -143.6(5) . .
C23 C22 C29 O5 -140.5(5) . .
C27 C22 C29 O5 36.3(7) . .
