#------------------------------------------------------------------------------
#$Date: 2016-02-16 22:30:59 +0200 (Tue, 16 Feb 2016) $
#$Revision: 176467 $
#$URL: svn://www.crystallography.net/cod/cif/4/32/51/4325190.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_4325190
loop_
_publ_author_name
'Sarika Sivakumar'
'M. L. P. Reddy'
'Alan H. Cowley'
'Rachel R. Butorac'
_publ_section_title
;
 Lanthanide-Based Coordination Polymers Assembled from Derivatives of
 3,5-Dihydroxy Benzoates: Syntheses, Crystal Structures, and Photophysical
 Properties
;
_journal_name_full               'Inorganic Chemistry'
_journal_page_first              4882
_journal_page_last               4891
_journal_paper_doi               10.1021/ic2001249
_journal_volume                  50
_journal_year                    2011
_chemical_formula_moiety         'C57 H45 Eu N6 O12, O2.5 H5'
_chemical_formula_sum            'C57 H50 Eu N6 O14.5 S0'
_chemical_formula_weight         1202.99
_chemical_name_systematic
;
 ?
;
_space_group_IT_number           15
_symmetry_cell_setting           monoclinic
_symmetry_space_group_name_Hall  '-C 2yc'
_symmetry_space_group_name_H-M   'C 1 2/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                 101.133(9)
_cell_angle_gamma                90.00
_cell_formula_units_Z            4
_cell_length_a                   36.843(3)
_cell_length_b                   15.348(9)
_cell_length_c                   9.890(6)
_cell_measurement_reflns_used    8719
_cell_measurement_temperature    100(2)
_cell_measurement_theta_max      30.9102
_cell_measurement_theta_min      1.4415
_cell_volume                     5487(5)
_computing_cell_refinement       'CrystalClear (Rigaku Inc., 2008)'
_computing_data_collection       'CrystalClear (Rigaku Inc., 2008)'
_computing_data_reduction        'CrystalClear (Rigaku Inc., 2008)'
_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      100(2)
_diffrn_measured_fraction_theta_full 1.000
_diffrn_measured_fraction_theta_max 1.000
_diffrn_measurement_device_type  'Rigaku AFC-12 with Saturn 724+ CCD'
_diffrn_measurement_method       ω-scans
_diffrn_radiation_monochromator  graphite
_diffrn_radiation_source         'fine-focus sealed tube'
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71069
_diffrn_reflns_av_R_equivalents  0.0971
_diffrn_reflns_av_sigmaI/netI    0.0661
_diffrn_reflns_limit_h_max       43
_diffrn_reflns_limit_h_min       -43
_diffrn_reflns_limit_k_max       18
_diffrn_reflns_limit_k_min       -18
_diffrn_reflns_limit_l_max       11
_diffrn_reflns_limit_l_min       -11
_diffrn_reflns_number            32023
_diffrn_reflns_theta_full        25.00
_diffrn_reflns_theta_max         25.00
_diffrn_reflns_theta_min         1.44
_exptl_absorpt_coefficient_mu    1.216
_exptl_absorpt_correction_T_max  0.9306
_exptl_absorpt_correction_T_min  0.8679
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details
;
Abscor. T. Higashi. (2001). Rigaku Corp. Tokyo, Japan
;
_exptl_crystal_colour            colorless
_exptl_crystal_density_diffrn    1.456
_exptl_crystal_description       prism
_exptl_crystal_F_000             2452
_exptl_crystal_size_max          0.12
_exptl_crystal_size_mid          0.11
_exptl_crystal_size_min          0.06
_refine_diff_density_max         1.222
_refine_diff_density_min         -1.010
_refine_diff_density_rms         0.144
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.715
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     485
_refine_ls_number_reflns         4834
_refine_ls_number_restraints     633
_refine_ls_restrained_S_all      1.608
_refine_ls_R_factor_all          0.1072
_refine_ls_R_factor_gt           0.1022
_refine_ls_shift/su_max          0.011
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'calc w=1/[σ²(Fo²)+(0.0854P)²+4.7548P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.2479
_refine_ls_wR_factor_ref         0.2515
_reflns_number_gt                4574
_reflns_number_total             4834
_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            ic2001249_si_004.cif
_cod_data_source_block           shelxl
_cod_original_formula_sum        'C57 H50 Eu N6 O14.50 S0'
_cod_database_code               4325190
loop_
_symmetry_equiv_pos_as_xyz
'x, y, z'
'-x, y, -z+1/2'
'x+1/2, y+1/2, z'
'-x+1/2, y+1/2, -z+1/2'
'-x, -y, -z'
'x, -y, z-1/2'
'-x+1/2, -y+1/2, -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
_atom_site_disorder_assembly
_atom_site_disorder_group
Eu1 Eu 0.5000 0.51119(4) 0.7500 0.0504(3) Uani 1 2 d S . .
O4 O 0.52192(17) 0.3659(4) 0.8446(6) 0.0536(15) Uani 1 1 d . . .
O5 O 0.5418(2) 0.0452(6) 0.9648(8) 0.090(3) Uani 1 1 d D . .
O1 O 0.55709(18) 0.5459(4) 0.8961(6) 0.0591(16) Uani 1 1 d . . .
O2 O 0.6434(2) 0.6592(5) 1.4467(7) 0.0733(19) Uani 1 1 d . . .
O3 O 0.6966(3) 0.5978(7) 1.0594(11) 0.117(3) Uani 1 1 d D . .
N1 N 0.5912(3) 0.7139(6) 1.7115(10) 0.082(3) Uani 1 1 d . . .
C20 C 0.5000 0.3236(9) 0.7500 0.054(3) Uani 1 2 d S . .
C21 C 0.5000 0.2260(8) 0.7500 0.052(3) Uani 1 2 d S . .
C24 C 0.5000 0.0466(9) 0.7500 0.057(3) Uani 1 2 d S . .
H24 H 0.5000 -0.0140 0.7500 0.069 Uiso 1 2 calc SR B .
C23 C 0.5205(3) 0.0904(6) 0.8587(10) 0.058(2) Uani 1 1 d . B .
C22 C 0.5214(3) 0.1808(6) 0.8615(10) 0.055(2) Uani 1 1 d . . .
H22 H 0.5357 0.2106 0.9347 0.066 Uiso 1 1 calc R B .
C1 C 0.5618(3) 0.5498(6) 1.0245(11) 0.056(2) Uani 1 1 d . . .
C2 C 0.5998(3) 0.5756(5) 1.1043(9) 0.051(2) Uani 1 1 d . A .
C3 C 0.6033(3) 0.6030(6) 1.2397(10) 0.062(2) Uani 1 1 d . . .
H3A H 0.5828 0.6037 1.2819 0.074 Uiso 1 1 calc R . .
C4 C 0.6379(3) 0.6296(6) 1.3122(10) 0.063(2) Uani 1 1 d . A .
C5 C 0.6688(3) 0.6255(7) 1.2510(12) 0.075(3) Uani 1 1 d . . .
H5A H 0.6918 0.6413 1.3012 0.090 Uiso 1 1 calc R A .
C6 C 0.6656(3) 0.5982(7) 1.1167(13) 0.075(3) Uani 1 1 d . A .
C7 C 0.6301(3) 0.5735(6) 1.0395(10) 0.059(2) Uani 1 1 d . . .
H7A H 0.6273 0.5564 0.9479 0.070 Uiso 1 1 calc R A .
C8 C 0.6106(3) 0.6678(7) 1.5072(11) 0.075(3) Uani 1 1 d . . .
H8A H 0.6002 0.6104 1.5153 0.090 Uiso 1 1 d R . .
H8B H 0.5920 0.7031 1.4488 0.090 Uiso 1 1 d R . .
C9 C 0.6203(4) 0.7070(7) 1.6448(12) 0.078(3) Uani 1 1 d . . .
C10 C 0.6559(4) 0.7390(9) 1.7000(14) 0.094(4) Uani 1 1 d . . .
H10A H 0.6750 0.7344 1.6512 0.113 Uiso 1 1 calc R . .
C11 C 0.6618(5) 0.7787(11) 1.8328(14) 0.110(5) Uani 1 1 d . . .
H11A H 0.6847 0.8011 1.8731 0.132 Uiso 1 1 calc R . .
C12 C 0.6323(4) 0.7825(9) 1.8990(13) 0.098(4) Uani 1 1 d . . .
H12A H 0.6357 0.8062 1.9872 0.117 Uiso 1 1 calc R . .
C13 C 0.5982(4) 0.7524(8) 1.8381(13) 0.093(4) Uani 1 1 d . . .
H13A H 0.5788 0.7584 1.8852 0.112 Uiso 1 1 calc R . .
O6 O 0.46273(17) 0.4637(5) 0.9049(7) 0.0601(16) Uani 1 1 d . . .
O7 O 0.51914(18) 0.6410(4) 0.6311(6) 0.0597(16) Uani 1 1 d . . .
C14 C 0.6976(6) 0.5545(18) 0.957(2) 0.156(6) Uani 0.63 1 d PDU A 1
H14A H 0.6803 0.5787 0.8796 0.187 Uiso 0.63 1 calc PR A 1
H14B H 0.6897 0.4956 0.9716 0.187 Uiso 0.63 1 calc PR A 1
C15 C 0.7350(5) 0.5517(11) 0.9218(13) 0.162(5) Uani 0.63 1 d PDU A 1
C19 C 0.7551(6) 0.4743(12) 0.935(2) 0.164(5) Uani 0.63 1 d PDU A 1
H19B H 0.7452 0.4242 0.9669 0.197 Uiso 0.63 1 calc PR A 1
C18 C 0.7902(6) 0.4720(15) 0.902(2) 0.165(5) Uani 0.63 1 d PDU A 1
H18 H 0.8037 0.4204 0.9106 0.198 Uiso 0.63 1 calc PR A 1
C17 C 0.8051(6) 0.5474(17) 0.855(2) 0.167(5) Uani 0.63 1 d PDU A 1
H17 H 0.8285 0.5459 0.8332 0.200 Uiso 0.63 1 calc PR A 1
C16 C 0.7850(6) 0.6249(14) 0.8423(19) 0.167(5) Uani 0.63 1 d PDU A 1
H16 H 0.7950 0.6751 0.8115 0.201 Uiso 0.63 1 calc PR A 1
N3 N 0.7498(6) 0.6271(11) 0.8754(17) 0.168(5) Uani 0.63 1 d PDU A 1
C14A C 0.7119(11) 0.5274(16) 1.064(4) 0.162(6) Uani 0.37 1 d PDU A 2
H14C H 0.6924 0.4847 1.0388 0.195 Uiso 0.37 1 calc PR A 2
H14D H 0.7224 0.5171 1.1606 0.195 Uiso 0.37 1 calc PR A 2
C15A C 0.7411(8) 0.5038(13) 0.987(3) 0.164(5) Uani 0.37 1 d PDU A 2
N3A N 0.7558(8) 0.4197(13) 0.997(3) 0.165(6) Uani 0.37 1 d PDU A 2
C16A C 0.7832(9) 0.3971(19) 0.925(4) 0.164(5) Uani 0.37 1 d PDU A 2
H16A H 0.7930 0.3411 0.9319 0.196 Uiso 0.37 1 calc PR A 2
C17A C 0.7961(10) 0.459(3) 0.841(4) 0.165(5) Uani 0.37 1 d PDU A 2
H17A H 0.8145 0.4435 0.7929 0.198 Uiso 0.37 1 calc PR A 2
C18A C 0.7814(10) 0.543(2) 0.830(4) 0.165(5) Uani 0.37 1 d PDU A 2
H18A H 0.7898 0.5835 0.7741 0.198 Uiso 0.37 1 calc PR A 2
C19A C 0.7539(10) 0.5652(18) 0.903(4) 0.165(5) Uani 0.37 1 d PDU A 2
H19A H 0.7441 0.6212 0.8961 0.198 Uiso 0.37 1 calc PR A 2
C25 C 0.5485(6) -0.0323(10) 0.973(2) 0.067(6) Uani 0.46 1 d PDU B 1
H25A H 0.5578 -0.0510 0.8927 0.080 Uiso 0.46 1 calc PR B 1
H25B H 0.5258 -0.0641 0.9753 0.080 Uiso 0.46 1 calc PR B 1
C26 C 0.5762(5) -0.0528(13) 1.0992(17) 0.066(8) Uani 0.46 1 d PDU B 1
C27 C 0.5813(5) -0.1413(12) 1.1149(19) 0.067(8) Uani 0.46 1 d PDU B 1
H27 H 0.5685 -0.1793 1.0494 0.081 Uiso 0.46 1 calc PR B 1
C28 C 0.6054(8) -0.1735(10) 1.227(3) 0.093(12) Uani 0.46 1 d PDU B 1
H28 H 0.6088 -0.2334 1.2381 0.112 Uiso 0.46 1 calc PR B 1
C29 C 0.6244(8) -0.1173(14) 1.325(3) 0.09(3) Uani 0.46 1 d PDU B 1
H29 H 0.6407 -0.1391 1.4006 0.112 Uiso 0.46 1 calc PR B 1
C30 C 0.6193(6) -0.0288(13) 1.309(2) 0.071(9) Uani 0.46 1 d PDU B 1
H30 H 0.6321 0.0091 1.3746 0.085 Uiso 0.46 1 calc PR B 1
N2 N 0.5952(5) 0.0035(9) 1.196(2) 0.061(5) Uani 0.46 1 d PDU B 1
C25A C 0.5632(5) 0.0704(10) 1.0663(18) 0.064(5) Uani 0.54 1 d PDU B 2
H25C H 0.5494 0.1014 1.1253 0.077 Uiso 0.54 1 calc PR B 2
H25D H 0.5804 0.1112 1.0380 0.077 Uiso 0.54 1 calc PR B 2
C26A C 0.5845(4) -0.0007(10) 1.1469(17) 0.068(6) Uani 0.54 1 d PDU B 2
N2A N 0.6103(5) 0.0273(9) 1.2581(19) 0.089(6) Uani 0.54 1 d PDU B 2
C30A C 0.6304(6) -0.0328(14) 1.3455(18) 0.101(10) Uani 0.54 1 d PD B 2
H30A H 0.6478 -0.0140 1.4209 0.121 Uiso 0.54 1 calc PR B 2
C29A C 0.6248(7) -0.1204(13) 1.321(2) 0.10(3) Uani 0.54 1 d PD B 2
H29A H 0.6384 -0.1609 1.3803 0.125 Uiso 0.54 1 calc PR B 2
C28A C 0.5989(6) -0.1483(9) 1.210(2) 0.092(10) Uani 0.54 1 d PD B 2
H28A H 0.5951 -0.2076 1.1937 0.110 Uiso 0.54 1 calc PR B 2
C27A C 0.5788(4) -0.0884(12) 1.1228(17) 0.075(6) Uani 0.54 1 d PD B 2
H27A H 0.5614 -0.1071 1.0476 0.090 Uiso 0.54 1 calc PR B 2
O1W O 0.5000 -0.1873(16) 0.7500 0.123(10) Uani 0.50 2 d SP . .
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'
Eu Eu -0.1578 3.6682 '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'
H H 0.0000 0.0000 '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
O6 Eu1 O6 144.0(3) 2_656 .
O6 Eu1 O1 103.5(2) 2_656 2_656
O6 Eu1 O1 84.6(2) . 2_656
O6 Eu1 O1 84.6(2) 2_656 .
O6 Eu1 O1 103.5(2) . .
O1 Eu1 O1 154.1(3) 2_656 .
O6 Eu1 O7 144.0(2) 2_656 2_656
O6 Eu1 O7 71.7(2) . 2_656
O1 Eu1 O7 79.0(2) 2_656 2_656
O1 Eu1 O7 80.3(2) . 2_656
O6 Eu1 O7 71.7(2) 2_656 .
O6 Eu1 O7 144.0(2) . .
O1 Eu1 O7 80.3(2) 2_656 .
O1 Eu1 O7 79.0(2) . .
O7 Eu1 O7 73.4(3) 2_656 .
O6 Eu1 O4 70.5(2) 2_656 2_656
O6 Eu1 O4 77.3(2) . 2_656
O1 Eu1 O4 77.7(2) 2_656 2_656
O1 Eu1 O4 127.9(2) . 2_656
O7 Eu1 O4 142.6(2) 2_656 2_656
O7 Eu1 O4 129.9(2) . 2_656
O6 Eu1 O4 77.3(2) 2_656 .
O6 Eu1 O4 70.5(2) . .
O1 Eu1 O4 127.9(2) 2_656 .
O1 Eu1 O4 77.7(2) . .
O7 Eu1 O4 129.9(2) 2_656 .
O7 Eu1 O4 142.6(2) . .
O4 Eu1 O4 53.0(3) 2_656 .
O6 Eu1 C20 72.00(17) 2_656 .
O6 Eu1 C20 72.00(17) . .
O1 Eu1 C20 102.97(16) 2_656 .
O1 Eu1 C20 102.97(16) . .
O7 Eu1 C20 143.32(14) 2_656 .
O7 Eu1 C20 143.32(14) . .
O4 Eu1 C20 26.50(14) 2_656 .
O4 Eu1 C20 26.50(14) . .
O6 Eu1 C1 101.4(2) 2_656 .
O6 Eu1 C1 85.1(2) . .
O1 Eu1 C1 150.0(2) 2_656 .
O1 Eu1 C1 18.6(2) . .
O7 Eu1 C1 71.0(2) 2_656 .
O7 Eu1 C1 91.9(2) . .
O4 Eu1 C1 127.0(2) 2_656 .
O4 Eu1 C1 74.0(2) . .
C20 Eu1 C1 100.54(16) . .
O6 Eu1 C1 85.1(2) 2_656 2_656
O6 Eu1 C1 101.4(2) . 2_656
O1 Eu1 C1 18.6(2) 2_656 2_656
O1 Eu1 C1 150.0(2) . 2_656
O7 Eu1 C1 91.9(2) 2_656 2_656
O7 Eu1 C1 71.0(2) . 2_656
O4 Eu1 C1 74.0(2) 2_656 2_656
O4 Eu1 C1 127.0(2) . 2_656
C20 Eu1 C1 100.54(16) . 2_656
C1 Eu1 C1 158.9(3) . 2_656
C20 O4 Eu1 93.8(6) . .
C25A O5 C25 99.5(14) . .
C25A O5 C23 131.1(12) . .
C25 O5 C23 128.7(11) . .
C1 O1 Eu1 124.2(6) . .
C4 O2 C8 116.5(8) . .
C14A O3 C14 57(2) . .
C14A O3 C6 114(2) . .
C14 O3 C6 120.4(15) . .
C13 N1 C9 116.8(12) . .
O4 C20 O4 119.5(12) . 2_656
O4 C20 C21 120.3(6) . .
O4 C20 C21 120.3(6) 2_656 .
O4 C20 Eu1 59.7(6) . .
O4 C20 Eu1 59.7(6) 2_656 .
C21 C20 Eu1 180.000(1) . .
C22 C21 C22 121.0(12) 2_656 .
C22 C21 C20 119.5(6) 2_656 .
C22 C21 C20 119.5(6) . .
C23 C24 C23 121.0(13) . 2_656
C23 C24 H24 119.5 . .
C23 C24 H24 119.5 2_656 .
C24 C23 O5 120.2(10) . .
C24 C23 C22 121.0(10) . .
O5 C23 C22 118.8(10) . .
C23 C22 C21 117.9(9) . .
C23 C22 H22 121.0 . .
C21 C22 H22 121.0 . .
O1 C1 O6 125.6(9) . 5_667
O1 C1 C2 118.1(8) . .
O6 C1 C2 116.3(9) 5_667 .
O6 C1 Eu1 88.4(6) 5_667 .
C2 C1 Eu1 155.3(6) . .
C3 C2 C7 121.4(9) . .
C3 C2 C1 118.9(8) . .
C7 C2 C1 119.7(8) . .
C2 C3 C4 119.3(9) . .
C2 C3 H3A 120.4 . .
C4 C3 H3A 120.4 . .
O2 C4 C5 117.0(9) . .
O2 C4 C3 122.6(9) . .
C5 C4 C3 120.4(9) . .
C6 C5 C4 120.7(10) . .
C6 C5 H5A 119.6 . .
C4 C5 H5A 119.6 . .
O3 C6 C5 118.5(11) . .
O3 C6 C7 121.9(11) . .
C5 C6 C7 119.5(9) . .
C2 C7 C6 118.7(9) . .
C2 C7 H7A 120.7 . .
C6 C7 H7A 120.7 . .
O2 C8 C9 110.3(10) . .
O2 C8 H8A 108.9 . .
C9 C8 H8A 109.0 . .
O2 C8 H8B 110.6 . .
C9 C8 H8B 109.9 . .
H8A C8 H8B 108.2 . .
N1 C9 C10 122.9(11) . .
N1 C9 C8 114.0(11) . .
C10 C9 C8 122.9(11) . .
C9 C10 C11 118.1(13) . .
C9 C10 H10A 121.0 . .
C11 C10 H10A 121.0 . .
C12 C11 C10 117.7(14) . .
C12 C11 H11A 121.2 . .
C10 C11 H11A 121.2 . .
C13 C12 C11 121.3(13) . .
C13 C12 H12A 119.4 . .
C11 C12 H12A 119.4 . .
N1 C13 C12 123.2(13) . .
N1 C13 H13A 118.4 . .
C12 C13 H13A 118.4 . .
C1 O6 Eu1 168.1(7) 5_667 .
O3 C14 C15 112.8(14) . .
O3 C14 H14A 109.0 . .
C15 C14 H14A 109.0 . .
O3 C14 H14B 109.0 . .
C15 C14 H14B 109.0 . .
H14A C14 H14B 107.8 . .
C19 C15 N3 120.1(4) . .
C19 C15 C14 120.3(5) . .
N3 C15 C14 119.6(5) . .
C15 C19 C18 120.0(4) . .
C15 C19 H19B 120.0 . .
C18 C19 H19B 120.0 . .
C17 C18 C19 119.9(4) . .
C17 C18 H18 120.1 . .
C19 C18 H18 120.1 . .
C16 C17 C18 120.2(4) . .
C16 C17 H17 119.9 . .
C18 C17 H17 119.9 . .
C17 C16 N3 119.9(4) . .
C17 C16 H16 120.0 . .
N3 C16 H16 120.0 . .
C15 N3 C16 119.9(4) . .
O3 C14A C15A 125(2) . .
O3 C14A H14C 106.1 . .
C15A C14A H14C 106.1 . .
O3 C14A H14D 106.1 . .
C15A C14A H14D 106.1 . .
H14C C14A H14D 106.3 . .
C19A C15A N3A 120.1(4) . .
C19A C15A C14A 120.2(5) . .
N3A C15A C14A 119.7(5) . .
C16A N3A C15A 120.0(4) . .
N3A C16A C17A 120.1(4) . .
N3A C16A H16A 120.0 . .
C17A C16A H16A 120.0 . .
C16A C17A C18A 120.0(4) . .
C16A C17A H17A 120.0 . .
C18A C17A H17A 120.0 . .
C17A C18A C19A 119.9(4) . .
C17A C18A H18A 120.0 . .
C19A C18A H18A 120.0 . .
C15A C19A C18A 120.0(4) . .
C15A C19A H19A 120.0 . .
C18A C19A H19A 120.0 . .
O5 C25 C26 111.2(14) . .
O5 C25 H25A 109.4 . .
C26 C25 H25A 109.4 . .
O5 C25 H25B 109.4 . .
C26 C25 H25B 109.4 . .
H25A C25 H25B 108.0 . .
C27 C26 N2 120.1(4) . .
C27 C26 C25 111.1(15) . .
N2 C26 C25 128.8(15) . .
C28 C27 C26 120.0(4) . .
C28 C27 H27 120.0 . .
C26 C27 H27 120.0 . .
C27 C28 C29 120.0(4) . .
C27 C28 H28 120.0 . .
C29 C28 H28 120.0 . .
C30 C29 C28 120.0(4) . .
C30 C29 H29 120.0 . .
C28 C29 H29 120.0 . .
C29 C30 N2 120.0(4) . .
C29 C30 H30 120.0 . .
N2 C30 H30 120.0 . .
C26 N2 C30 119.9(4) . .
O5 C25A C26A 113.7(13) . .
O5 C25A H25C 108.8 . .
C26A C25A H25C 108.8 . .
O5 C25A H25D 108.8 . .
C26A C25A H25D 108.8 . .
H25C C25A H25D 107.7 . .
C27A C26A N2A 120.1(4) . .
C27A C26A C25A 125.5(15) . .
N2A C26A C25A 114.4(14) . .
C26A N2A C30A 119.9(4) . .
C29A C30A N2A 120.0(4) . .
C29A C30A H30A 120.0 . .
N2A C30A H30A 120.0 . .
C30A C29A C28A 120.0(4) . .
C30A C29A H29A 120.0 . .
C28A C29A H29A 120.0 . .
C27A C28A C29A 119.9(4) . .
C27A C28A H28A 120.1 . .
C29A C28A H28A 120.1 . .
C28A C27A C26A 120.1(4) . .
C28A C27A H27A 120.0 . .
C26A C27A H27A 120.0 . .
loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_site_symmetry_2
Eu1 O6 2.362(6) 2_656
Eu1 O6 2.362(6) .
Eu1 O1 2.371(7) 2_656
Eu1 O1 2.371(7) .
Eu1 O7 2.484(6) 2_656
Eu1 O7 2.484(6) .
Eu1 O4 2.492(6) 2_656
Eu1 O4 2.492(6) .
Eu1 C20 2.879(13) .
Eu1 C1 3.243(10) .
Eu1 C1 3.243(10) 2_656
O4 C20 1.287(9) .
O5 C25A 1.213(13) .
O5 C25 1.215(13) .
O5 C23 1.371(12) .
O1 C1 1.250(11) .
O2 C4 1.383(11) .
O2 C8 1.456(13) .
O3 C14A 1.216(14) .
O3 C14 1.219(13) .
O3 C6 1.370(13) .
N1 C13 1.363(15) .
N1 C9 1.365(15) .
C20 O4 1.287(9) 2_656
C20 C21 1.499(18) .
C21 C22 1.408(11) 2_656
C21 C22 1.408(11) .
C24 C23 1.365(12) .
C24 C23 1.365(12) 2_656
C24 H24 0.9300 .
C23 C22 1.389(13) .
C22 H22 0.9300 .
C1 O6 1.260(10) 5_667
C1 C2 1.523(13) .
C2 C3 1.385(12) .
C2 C7 1.389(12) .
C3 C4 1.398(14) .
C3 H3A 0.9300 .
C4 C5 1.388(14) .
C5 C6 1.376(15) .
C5 H5A 0.9300 .
C6 C7 1.432(15) .
C7 H7A 0.9300 .
C8 C9 1.467(14) .
C8 H8A 0.9700 .
C8 H8B 0.9700 .
C9 C10 1.409(17) .
C10 C11 1.425(17) .
C10 H10A 0.9300 .
C11 C12 1.372(19) .
C11 H11A 0.9300 .
C12 C13 1.365(18) .
C12 H12A 0.9300 .
C13 H13A 0.9300 .
O6 C1 1.260(10) 5_667
C14 C15 1.483(15) .
C14 H14A 0.9700 .
C14 H14B 0.9700 .
C15 C19 1.394(12) .
C15 N3 1.395(12) .
C19 C18 1.395(12) .
C19 H19B 0.9300 .
C18 C17 1.395(12) .
C18 H18 0.9300 .
C17 C16 1.394(12) .
C17 H17 0.9300 .
C16 N3 1.396(12) .
C16 H16 0.9300 .
C14A C15A 1.482(16) .
C14A H14C 0.9700 .
C14A H14D 0.9700 .
C15A C19A 1.393(12) .
C15A N3A 1.396(12) .
N3A C16A 1.393(12) .
C16A C17A 1.395(12) .
C16A H16A 0.9300 .
C17A C18A 1.395(12) .
C17A H17A 0.9300 .
C18A C19A 1.397(12) .
C18A H18A 0.9300 .
C19A H19A 0.9300 .
C25 C26 1.484(15) .
C25 H25A 0.9700 .
C25 H25B 0.9700 .
C26 C27 1.376(8) .
C26 N2 1.377(8) .
C27 C28 1.374(8) .
C27 H27 0.9300 .
C28 C29 1.379(8) .
C28 H28 0.9300 .
C29 C30 1.375(8) .
C29 H29 0.9300 .
C30 N2 1.378(8) .
C30 H30 0.9300 .
C25A C26A 1.483(15) .
C25A H25C 0.9700 .
C25A H25D 0.9700 .
C26A C27A 1.376(8) .
C26A N2A 1.377(8) .
N2A C30A 1.377(8) .
C30A C29A 1.375(8) .
C30A H30A 0.9300 .
C29A C28A 1.378(8) .
C29A H29A 0.9300 .
C28A C27A 1.375(8) .
C28A H28A 0.9300 .
C27A H27A 0.9300 .
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
O6 Eu1 O4 C20 -75.1(3) 2_656 .
O6 Eu1 O4 C20 88.5(3) . .
O1 Eu1 O4 C20 22.2(4) 2_656 .
O1 Eu1 O4 C20 -162.2(3) . .
O7 Eu1 O4 C20 131.8(3) 2_656 .
O7 Eu1 O4 C20 -109.6(4) . .
O4 Eu1 O4 C20 0.000(2) 2_656 .
C1 Eu1 O4 C20 179.0(3) . .
C1 Eu1 O4 C20 -1.2(4) 2_656 .
O6 Eu1 O1 C1 -154.6(7) 2_656 .
O6 Eu1 O1 C1 -10.2(7) . .
O1 Eu1 O1 C1 95.5(7) 2_656 .
O7 Eu1 O1 C1 58.2(7) 2_656 .
O7 Eu1 O1 C1 133.0(7) . .
O4 Eu1 O1 C1 -94.5(7) 2_656 .
O4 Eu1 O1 C1 -76.5(7) . .
C20 Eu1 O1 C1 -84.5(7) . .
C1 Eu1 O1 C1 134.9(8) 2_656 .
Eu1 O4 C20 O4 0.000(3) . 2_656
Eu1 O4 C20 C21 180.000(2) . .
O6 Eu1 C20 O4 97.7(3) 2_656 .
O6 Eu1 C20 O4 -82.3(3) . .
O1 Eu1 C20 O4 -162.2(3) 2_656 .
O1 Eu1 C20 O4 17.8(3) . .
O7 Eu1 C20 O4 -73.3(4) 2_656 .
O7 Eu1 C20 O4 106.7(4) . .
O4 Eu1 C20 O4 180.000(3) 2_656 .
C1 Eu1 C20 O4 -1.0(3) . .
C1 Eu1 C20 O4 179.0(3) 2_656 .
O6 Eu1 C20 O4 -82.3(3) 2_656 2_656
O6 Eu1 C20 O4 97.7(3) . 2_656
O1 Eu1 C20 O4 17.8(3) 2_656 2_656
O1 Eu1 C20 O4 -162.2(3) . 2_656
O7 Eu1 C20 O4 106.7(4) 2_656 2_656
O7 Eu1 C20 O4 -73.3(4) . 2_656
O4 Eu1 C20 O4 180.000(3) . 2_656
C1 Eu1 C20 O4 179.0(3) . 2_656
C1 Eu1 C20 O4 -1.0(3) 2_656 2_656
O4 C20 C21 C22 -173.7(5) . 2_656
O4 C20 C21 C22 6.3(5) 2_656 2_656
O4 C20 C21 C22 6.3(5) . .
O4 C20 C21 C22 -173.7(5) 2_656 .
C23 C24 C23 O5 -177.9(9) 2_656 .
C23 C24 C23 C22 -0.6(6) 2_656 .
C25A O5 C23 C24 175.9(15) . .
C25 O5 C23 C24 7.5(19) . .
C25A O5 C23 C22 -1(2) . .
C25 O5 C23 C22 -169.8(16) . .
C24 C23 C22 C21 1.2(12) . .
O5 C23 C22 C21 178.6(7) . .
C22 C21 C22 C23 -0.6(6) 2_656 .
C20 C21 C22 C23 179.4(6) . .
Eu1 O1 C1 O6 -0.1(13) . 5_667
Eu1 O1 C1 C2 -178.2(6) . .
O6 Eu1 C1 O1 25.8(7) 2_656 .
O6 Eu1 C1 O1 170.0(7) . .
O1 Eu1 C1 O1 -119.6(8) 2_656 .
O7 Eu1 C1 O1 -117.6(7) 2_656 .
O7 Eu1 C1 O1 -45.9(7) . .
O4 Eu1 C1 O1 99.9(7) 2_656 .
O4 Eu1 C1 O1 98.9(7) . .
C20 Eu1 C1 O1 99.4(7) . .
C1 Eu1 C1 O1 -80.6(7) 2_656 .
O6 Eu1 C1 O6 -154.3(4) 2_656 5_667
O6 Eu1 C1 O6 -10.0(6) . 5_667
O1 Eu1 C1 O6 60.4(7) 2_656 5_667
O1 Eu1 C1 O6 179.9(11) . 5_667
O7 Eu1 C1 O6 62.3(5) 2_656 5_667
O7 Eu1 C1 O6 134.0(5) . 5_667
O4 Eu1 C1 O6 -80.1(6) 2_656 5_667
O4 Eu1 C1 O6 -81.2(5) . 5_667
C20 Eu1 C1 O6 -80.7(5) . 5_667
C1 Eu1 C1 O6 99.3(5) 2_656 5_667
O6 Eu1 C1 C2 29.6(14) 2_656 .
O6 Eu1 C1 C2 173.9(14) . .
O1 Eu1 C1 C2 -115.7(13) 2_656 .
O1 Eu1 C1 C2 3.8(12) . .
O7 Eu1 C1 C2 -113.8(14) 2_656 .
O7 Eu1 C1 C2 -42.1(14) . .
O4 Eu1 C1 C2 103.8(14) 2_656 .
O4 Eu1 C1 C2 102.7(14) . .
C20 Eu1 C1 C2 103.2(14) . .
C1 Eu1 C1 C2 -76.8(14) 2_656 .
O1 C1 C2 C3 162.9(8) . .
O6 C1 C2 C3 -15.4(13) 5_667 .
Eu1 C1 C2 C3 160.3(11) . .
O1 C1 C2 C7 -15.4(13) . .
O6 C1 C2 C7 166.3(9) 5_667 .
Eu1 C1 C2 C7 -18.0(19) . .
C7 C2 C3 C4 0.4(14) . .
C1 C2 C3 C4 -177.9(8) . .
C8 O2 C4 C5 176.7(10) . .
C8 O2 C4 C3 -4.6(14) . .
C2 C3 C4 O2 178.9(9) . .
C2 C3 C4 C5 -2.4(15) . .
O2 C4 C5 C6 -178.9(10) . .
C3 C4 C5 C6 2.3(17) . .
C14A O3 C6 C5 96(3) . .
C14 O3 C6 C5 161.1(19) . .
C14A O3 C6 C7 -86(3) . .
C14 O3 C6 C7 -21(2) . .
C4 C5 C6 O3 177.9(11) . .
C4 C5 C6 C7 -0.2(17) . .
C3 C2 C7 C6 1.7(15) . .
C1 C2 C7 C6 179.9(9) . .
O3 C6 C7 C2 -179.8(10) . .
C5 C6 C7 C2 -1.8(16) . .
C4 O2 C8 C9 -174.9(9) . .
C13 N1 C9 C10 -1.3(18) . .
C13 N1 C9 C8 -178.0(10) . .
O2 C8 C9 N1 -177.2(9) . .
O2 C8 C9 C10 6.1(16) . .
N1 C9 C10 C11 1(2) . .
C8 C9 C10 C11 177.7(13) . .
C9 C10 C11 C12 0(2) . .
C10 C11 C12 C13 -2(2) . .
C9 N1 C13 C12 -0.6(19) . .
C11 C12 C13 N1 2(2) . .
O6 Eu1 O6 C1 -135(3) 2_656 5_667
O1 Eu1 O6 C1 -29(3) 2_656 5_667
O1 Eu1 O6 C1 126(3) . 5_667
O7 Eu1 O6 C1 51(3) 2_656 5_667
O7 Eu1 O6 C1 36(4) . 5_667
O4 Eu1 O6 C1 -108(3) 2_656 5_667
O4 Eu1 O6 C1 -163(3) . 5_667
C20 Eu1 O6 C1 -135(3) . 5_667
C1 Eu1 O6 C1 123(3) . 5_667
C1 Eu1 O6 C1 -37(3) 2_656 5_667
C14A O3 C14 C15 -71(3) . .
C6 O3 C14 C15 -171.5(11) . .
O3 C14 C15 C19 111(2) . .
O3 C14 C15 N3 -69(2) . .
N3 C15 C19 C18 -0.3(6) . .
C14 C15 C19 C18 179.8(4) . .
C15 C19 C18 C17 0.3(8) . .
C19 C18 C17 C16 0.0(8) . .
C18 C17 C16 N3 -0.2(8) . .
C19 C15 N3 C16 0.1(4) . .
C14 C15 N3 C16 180.0(3) . .
C17 C16 N3 C15 0.1(6) . .
C14 O3 C14A C15A 55(2) . .
C6 O3 C14A C15A 167.0(18) . .
O3 C14A C15A C19A 2(4) . .
O3 C14A C15A N3A -178(4) . .
C19A C15A N3A C16A 0.0(4) . .
C14A C15A N3A C16A -180.0(3) . .
C15A N3A C16A C17A 0.0(6) . .
N3A C16A C17A C18A -0.2(8) . .
C16A C17A C18A C19A 0.3(8) . .
N3A C15A C19A C18A 0.1(6) . .
C14A C15A C19A C18A -179.9(4) . .
C17A C18A C19A C15A -0.2(8) . .
C25A O5 C25 C26 2(2) . .
C23 O5 C25 C26 173.6(14) . .
O5 C25 C26 C27 174.8(16) . .
O5 C25 C26 N2 -4(3) . .
N2 C26 C27 C28 0.0(3) . .
C25 C26 C27 C28 -179(2) . .
C26 C27 C28 C29 0.0(3) . .
C27 C28 C29 C30 0.1(6) . .
C28 C29 C30 N2 -0.1(9) . .
C27 C26 N2 C30 0.0(6) . .
C25 C26 N2 C30 178(3) . .
C29 C30 N2 C26 0.1(9) . .
C25 O5 C25A C26A -2(2) . .
C23 O5 C25A C26A -172.4(12) . .
O5 C25A C26A C27A -7(2) . .
O5 C25A C26A N2A 176.6(14) . .
C27A C26A N2A C30A -0.1(6) . .
C25A C26A N2A C30A 176.4(18) . .
C26A N2A C30A C29A 0.2(9) . .
N2A C30A C29A C28A -0.2(9) . .
C30A C29A C28A C27A 0.1(6) . .
C29A C28A C27A C26A 0.0(3) . .
N2A C26A C27A C28A 0.0(3) . .
C25A C26A C27A C28A -176(2) . .
