#------------------------------------------------------------------------------
#$Date: 2016-03-24 02:49:30 +0200 (Thu, 24 Mar 2016) $
#$Revision: 179598 $
#$URL: svn://www.crystallography.net/cod/cif/4/50/62/4506212.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_4506212
loop_
_publ_author_name
'Zheng, Zhen Nu'
'Jang, Young Ok'
'Lee, Soon W.'
_publ_section_title
;
 4f-Block Metal Complexes as Secondary Building Units in Preparing 4d--4f
 Coordination Polymers: Preparation, Structures, and Luminescent
 Properties of [Ln2L6(H2O)4]·{[Ln2L4(H2O)6](NO3)2} and
 {[AgLnL2(H2O)3](NO3)2(H2O)4} (L = 3-Pyridinepropinoate, Ln = Eu, Tb, Nd)
;
_journal_issue                   6
_journal_name_full               'Crystal Growth & Design'
_journal_page_first              3045
_journal_paper_doi               10.1021/cg300256k
_journal_volume                  12
_journal_year                    2012
_chemical_formula_moiety
'C48 H56 Eu2 N6 O16, C32 H48 Eu2 N4 O16, 2(N O3)'
_chemical_formula_sum            'C80 H104 Eu4 N12 O38'
_chemical_formula_weight         2449.59
_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                117.6090(10)
_cell_angle_beta                 101.6560(10)
_cell_angle_gamma                98.5930(10)
_cell_formula_units_Z            1
_cell_length_a                   11.8853(6)
_cell_length_b                   15.1757(3)
_cell_length_c                   16.3121(4)
_cell_measurement_reflns_used    9939
_cell_measurement_temperature    296(2)
_cell_measurement_theta_max      28.47
_cell_measurement_theta_min      2.66
_cell_volume                     2451.22(15)
_computing_cell_refinement       'Bruker SMART'
_computing_data_collection       'Bruker SMART'
_computing_data_reduction        'Bruker SAINT'
_computing_molecular_graphics    'Bruker SHELXTL'
_computing_publication_material  'Bruker SHELXTL'
_computing_structure_refinement  'Bruker SHELXTL'
_computing_structure_solution    'Bruker SHELXTL'
_diffrn_ambient_temperature      296(2)
_diffrn_measured_fraction_theta_full 0.976
_diffrn_measured_fraction_theta_max 0.976
_diffrn_measurement_device_type  'CCD area detector'
_diffrn_measurement_method       'phi and omega scans'
_diffrn_radiation_monochromator  graphite
_diffrn_radiation_source         'sealed tube'
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_reflns_av_R_equivalents  0.0229
_diffrn_reflns_av_sigmaI/netI    0.0256
_diffrn_reflns_limit_h_max       15
_diffrn_reflns_limit_h_min       -15
_diffrn_reflns_limit_k_max       20
_diffrn_reflns_limit_k_min       -20
_diffrn_reflns_limit_l_max       21
_diffrn_reflns_limit_l_min       -20
_diffrn_reflns_number            33482
_diffrn_reflns_theta_full        28.48
_diffrn_reflns_theta_max         28.48
_diffrn_reflns_theta_min         1.82
_exptl_absorpt_coefficient_mu    2.613
_exptl_absorpt_correction_T_max  0.5282
_exptl_absorpt_correction_T_min  0.3669
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   '(SADABS; Sheldrick, 1996)'
_exptl_crystal_colour            colourless
_exptl_crystal_density_diffrn    1.659
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       BLOCK
_exptl_crystal_F_000             1224
_exptl_crystal_size_max          0.48
_exptl_crystal_size_mid          0.34
_exptl_crystal_size_min          0.28
_refine_diff_density_max         1.517
_refine_diff_density_min         -0.645
_refine_diff_density_rms         0.082
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.047
_refine_ls_hydrogen_treatment    mixed
_refine_ls_matrix_type           full
_refine_ls_number_parameters     688
_refine_ls_number_reflns         12098
_refine_ls_number_restraints     56
_refine_ls_restrained_S_all      1.055
_refine_ls_R_factor_all          0.0307
_refine_ls_R_factor_gt           0.0244
_refine_ls_shift/su_max          0.002
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'calc w=1/[σ²(Fo²)+(0.0321P)²+1.3815P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0610
_refine_ls_wR_factor_ref         0.0645
_reflns_number_gt                10446
_reflns_number_total             12098
_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            cg300256k_si_001.cif
_cod_data_source_block           eu
_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.

Automatic conversion script
Id: cif_fix_values 1891 2012-01-12 08:04:46Z andrius 
;
_cod_original_cell_volume        2451.21(15)
_cod_original_sg_symbol_H-M      'P-1   '
_cod_database_code               4506212
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
_atom_site_disorder_assembly
_atom_site_disorder_group
Eu1 Eu 0.585981(10) 0.615681(8) 0.479761(8) 0.02364(4) Uani 1 1 d . . .
Eu2 Eu 0.586439(10) 0.431193(10) 0.071786(9) 0.02767(4) Uani 1 1 d . . .
O1 O 0.63354(16) 0.45552(13) 0.37141(13) 0.0308(4) Uani 1 1 d . . .
O2 O 0.78706(17) 0.58256(15) 0.48619(15) 0.0430(5) Uani 1 1 d . . .
O3 O 0.65777(18) 0.67858(14) 0.38231(15) 0.0359(4) Uani 1 1 d . . .
O4 O 0.53489(18) 0.75565(15) 0.45349(15) 0.0383(4) Uani 1 1 d . . .
O5 O 0.40353(16) 0.46410(13) 0.42085(13) 0.0306(4) Uani 1 1 d . . .
O6 O 0.41176(16) 0.52841(14) 0.32636(13) 0.0335(4) Uani 1 1 d . . .
O7 O 0.78822(17) 0.46062(15) 0.04959(14) 0.0376(4) Uani 1 1 d . . .
O8 O 0.63477(16) 0.37214(14) -0.08341(13) 0.0331(4) Uani 1 1 d . . .
O9 O 0.39937(19) 0.28860(16) -0.03036(17) 0.0476(5) Uani 1 1 d . . .
O10 O 0.40135(16) 0.41951(15) -0.05231(14) 0.0367(4) Uani 1 1 d . . .
O11 O 0.4590(2) 0.68631(17) 0.57415(17) 0.0421(5) Uani 1 1 d . . .
O12 O 0.7280(2) 0.76341(17) 0.61475(18) 0.0423(5) Uani 1 1 d . . .
O13 O 0.72295(19) 0.54601(17) 0.23016(15) 0.0391(5) Uani 1 1 d . . .
O14 O 0.5256(2) 0.3683(2) 0.1744(2) 0.0437(5) Uani 1 1 d . . .
O15 O 0.4700(2) 0.5315(2) 0.16505(16) 0.0441(5) Uani 1 1 d . . .
O16 O 0.6561(3) 0.2839(2) 0.0452(2) 0.0527(6) Uani 1 1 d . . .
N1 N 1.0355(2) 0.2050(2) 0.3125(2) 0.0536(7) Uani 1 1 d . . .
N2 N 0.5658(3) 1.1163(2) 0.3434(2) 0.0537(7) Uani 1 1 d . . .
N3 N -0.1266(2) 0.2523(2) 0.0413(2) 0.0519(7) Uani 1 1 d . . .
N4 N 1.0355(2) 0.3741(2) -0.2982(2) 0.0536(7) Uani 1 1 d . . .
N5 N -0.1607(5) 0.0884(5) -0.2739(6) 0.129(2) Uani 1 1 d . . .
C1 C 0.7452(2) 0.4922(2) 0.4166(2) 0.0331(5) Uani 1 1 d . . .
C2 C 0.8282(3) 0.4253(3) 0.3880(3) 0.0645(11) Uani 1 1 d . . .
H2A H 0.8947 0.4638 0.3809 0.077 Uiso 1 1 calc R . .
H2B H 0.8606 0.4156 0.4418 0.077 Uiso 1 1 calc R . .
C3 C 0.7826(4) 0.3270(4) 0.3032(4) 0.112(2) Uani 1 1 d . . .
H3A H 0.7615 0.3380 0.2487 0.134 Uiso 1 1 calc R . .
H3B H 0.7085 0.2935 0.3060 0.134 Uiso 1 1 calc R . .
C4 C 0.8553(3) 0.2510(2) 0.2786(2) 0.0502(8) Uani 1 1 d . . .
C5 C 0.9704(3) 0.2713(2) 0.3348(2) 0.0496(8) Uani 1 1 d . . .
H5 H 1.0041 0.3355 0.3917 0.059 Uiso 1 1 calc R . .
C6 C 0.9851(3) 0.1136(3) 0.2327(3) 0.0644(11) Uani 1 1 d . . .
H6 H 1.0289 0.0654 0.2167 0.077 Uiso 1 1 calc R . .
C7 C 0.8726(4) 0.0861(3) 0.1726(3) 0.0742(13) Uani 1 1 d . . .
H7 H 0.8408 0.0211 0.1165 0.089 Uiso 1 1 calc R . .
C8 C 0.8071(3) 0.1561(3) 0.1963(3) 0.0574(9) Uani 1 1 d . . .
H8 H 0.7298 0.1389 0.1564 0.069 Uiso 1 1 calc R . .
C9 C 0.5984(2) 0.74487(19) 0.39930(19) 0.0317(5) Uani 1 1 d . . .
C10 C 0.6054(3) 0.8089(2) 0.3517(3) 0.0457(7) Uani 1 1 d . . .
H10A H 0.5777 0.7628 0.2817 0.055 Uiso 1 1 calc R . .
H10B H 0.6885 0.8459 0.3699 0.055 Uiso 1 1 calc R . .
C11 C 0.5331(3) 0.8864(2) 0.3779(2) 0.0421(7) Uani 1 1 d . . .
H11A H 0.4501 0.8496 0.3605 0.050 Uiso 1 1 calc R . .
H11B H 0.5615 0.9332 0.4478 0.050 Uiso 1 1 calc R . .
C12 C 0.5394(3) 0.9495(2) 0.3288(2) 0.0383(6) Uani 1 1 d . . .
C13 C 0.5605(3) 1.0553(2) 0.3811(2) 0.0451(7) Uani 1 1 d . . .
H13A H 0.5719 1.0864 0.4476 0.054 Uiso 1 1 calc R . .
C14 C 0.5490(4) 1.0714(3) 0.2484(3) 0.0593(9) Uani 1 1 d . . .
H14A H 0.5530 1.1128 0.2206 0.071 Uiso 1 1 calc R . .
C15 C 0.5260(5) 0.9669(3) 0.1898(3) 0.0694(12) Uani 1 1 d . . .
H15A H 0.5147 0.9380 0.1235 0.083 Uiso 1 1 calc R . .
C16 C 0.5196(4) 0.9044(3) 0.2300(3) 0.0576(9) Uani 1 1 d . . .
H16A H 0.5023 0.8329 0.1910 0.069 Uiso 1 1 calc R . .
C17 C 0.3580(2) 0.46382(19) 0.34271(18) 0.0285(5) Uani 1 1 d . . .
C18 C 0.2413(3) 0.3867(3) 0.2741(2) 0.0472(7) Uani 1 1 d . . .
H18A H 0.1801 0.4025 0.3056 0.057 Uiso 1 1 calc R . .
H18B H 0.2466 0.3186 0.2614 0.057 Uiso 1 1 calc R . .
C19 C 0.2020(3) 0.3823(3) 0.1778(3) 0.0549(9) Uani 1 1 d . . .
H19A H 0.1922 0.4490 0.1895 0.066 Uiso 1 1 calc R . .
H19B H 0.2640 0.3690 0.1468 0.066 Uiso 1 1 calc R . .
C20 C 0.0860(3) 0.2994(3) 0.1097(2) 0.0439(7) Uani 1 1 d . . .
C21 C -0.0220(3) 0.3219(2) 0.0989(3) 0.0489(7) Uani 1 1 d . . .
H21A H -0.0217 0.3907 0.1345 0.059 Uiso 1 1 calc R . .
C22 C -0.1265(3) 0.1549(3) -0.0094(3) 0.0609(9) Uani 1 1 d . . .
H22A H -0.1989 0.1051 -0.0506 0.073 Uiso 1 1 calc R . .
C23 C -0.0240(4) 0.1241(3) -0.0040(3) 0.0709(11) Uani 1 1 d . . .
H23A H -0.0273 0.0546 -0.0401 0.085 Uiso 1 1 calc R . .
C24 C 0.0830(3) 0.1967(3) 0.0552(3) 0.0627(10) Uani 1 1 d . . .
H24A H 0.1535 0.1772 0.0588 0.075 Uiso 1 1 calc R . .
C25 C 0.7465(2) 0.4128(2) -0.04097(19) 0.0303(5) Uani 1 1 d . . .
C26 C 0.8304(2) 0.4057(2) -0.1011(2) 0.0398(6) Uani 1 1 d . . .
H26A H 0.8685 0.4751 -0.0856 0.048 Uiso 1 1 calc R . .
H26B H 0.8928 0.3779 -0.0825 0.048 Uiso 1 1 calc R . .
C27 C 0.7709(3) 0.3396(3) -0.2094(2) 0.0453(7) Uani 1 1 d . . .
H27A H 0.7400 0.2691 -0.2247 0.054 Uiso 1 1 calc R . .
H27B H 0.7027 0.3630 -0.2260 0.054 Uiso 1 1 calc R . .
C28 C 0.8455(2) 0.3376(2) -0.2742(2) 0.0384(6) Uani 1 1 d . . .
C29 C 0.9687(3) 0.3769(2) -0.2405(2) 0.0423(6) Uani 1 1 d . . .
H29A H 1.0072 0.4070 -0.1743 0.051 Uiso 1 1 calc R . .
C30 C 0.9806(3) 0.3296(4) -0.3931(3) 0.0697(12) Uani 1 1 d . . .
H30A H 1.0267 0.3249 -0.4340 0.084 Uiso 1 1 calc R . .
C31 C 0.8589(4) 0.2906(4) -0.4329(3) 0.0755(13) Uani 1 1 d . . .
H31A H 0.8229 0.2611 -0.4994 0.091 Uiso 1 1 calc R . .
C32 C 0.7902(3) 0.2959(3) -0.3725(3) 0.0576(9) Uani 1 1 d . . .
H32A H 0.7073 0.2715 -0.3979 0.069 Uiso 1 1 calc R . .
C33 C 0.3484(2) 0.3307(2) -0.0704(2) 0.0353(6) Uani 1 1 d . . .
C34 C 0.2246(3) 0.2802(3) -0.1404(3) 0.0704(12) Uani 1 1 d . . .
H34A H 0.1707 0.3149 -0.1085 0.084 Uiso 1 1 calc R . .
H34B H 0.2227 0.2907 -0.1949 0.084 Uiso 1 1 calc R . .
C35 C 0.1791(4) 0.1686(4) -0.1784(4) 0.0924(16) Uani 1 1 d . . .
H35A H 0.1803 0.1573 -0.1244 0.111 Uiso 1 1 calc R . .
H35B H 0.2316 0.1330 -0.2115 0.111 Uiso 1 1 calc R . .
C36 C 0.0501(5) 0.1220(4) -0.2498(4) 0.0974(18) Uani 1 1 d . . .
C37 C -0.0463(4) 0.1370(4) -0.2185(5) 0.0925(16) Uani 1 1 d . . .
H37A H -0.0319 0.1851 -0.1532 0.111 Uiso 1 1 calc R . .
C38 C -0.1801(9) 0.0312(9) -0.3614(8) 0.173(5) Uani 1 1 d . . .
H38A H -0.2593 -0.0023 -0.4002 0.207 Uiso 1 1 calc R . .
C39 C -0.0973(10) 0.0141(11) -0.4037(6) 0.248(8) Uani 1 1 d . . .
H39A H -0.1151 -0.0339 -0.4695 0.298 Uiso 1 1 calc R . .
C40 C 0.0202(9) 0.0725(10) -0.3441(7) 0.255(8) Uani 1 1 d . . .
H40A H 0.0791 0.0759 -0.3732 0.306 Uiso 1 1 calc R . .
H11C H 0.447(3) 0.665(3) 0.605(3) 0.044(10) Uiso 1 1 d . . .
H11D H 0.448(3) 0.739(3) 0.595(3) 0.042(9) Uiso 1 1 d . . .
H12C H 0.719(3) 0.805(3) 0.653(3) 0.043(11) Uiso 1 1 d . . .
H12D H 0.805(4) 0.767(3) 0.626(3) 0.077(14) Uiso 1 1 d . . .
H13C H 0.706(3) 0.585(3) 0.273(3) 0.041(9) Uiso 1 1 d . . .
H13D H 0.799(4) 0.575(3) 0.250(3) 0.066(12) Uiso 1 1 d . . .
H14C H 0.556(4) 0.393(3) 0.226(4) 0.062(14) Uiso 1 1 d . . .
H14D H 0.501(4) 0.320(3) 0.163(3) 0.061(15) Uiso 1 1 d . . .
H15C H 0.436(4) 0.522(3) 0.201(3) 0.071(13) Uiso 1 1 d . . .
H15D H 0.435(3) 0.568(3) 0.149(3) 0.056(11) Uiso 1 1 d . . .
H16C H 0.721(4) 0.276(3) 0.042(3) 0.074(14) Uiso 1 1 d . . .
H16D H 0.625(4) 0.245(3) 0.050(3) 0.050(12) Uiso 1 1 d . . .
N6 N 0.3151(4) 0.1282(4) 0.1542(3) 0.0389(12) Uani 0.42 1 d PDU A -1
O17 O 0.3852(6) 0.2209(4) 0.2058(5) 0.0553(15) Uani 0.42 1 d PDU A -1
O18 O 0.2602(4) 0.0887(4) 0.1990(4) 0.076(2) Uani 0.42 1 d PDU A -1
O19 O 0.3044(6) 0.0740(6) 0.0641(4) 0.0634(19) Uani 0.42 1 d PDU A -1
N6A N 0.4156(4) 0.1182(3) 0.0769(4) 0.0618(13) Uani 0.58 1 d PDU B -2
O17A O 0.5213(3) 0.1222(2) 0.0569(2) 0.0362(7) Uani 0.58 1 d PDU B -2
O18A O 0.3407(6) 0.0306(5) 0.0454(7) 0.113(3) Uani 0.58 1 d PDU B -2
O19A O 0.3861(5) 0.1959(4) 0.1380(6) 0.098(2) Uani 0.58 1 d PDU B -2
loop_
_atom_type_symbol
_atom_type_description
_atom_type_scat_dispersion_real
_atom_type_scat_dispersion_imag
_atom_type_scat_source
C C 0.0033 0.0016 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
H H 0.0000 0.0000 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
N N 0.0061 0.0033 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
O O 0.0106 0.0060 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Eu Eu -0.1578 3.6682 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
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
O12 Eu1 O11 80.41(9) . .
O12 Eu1 O3 86.03(8) . .
O11 Eu1 O3 124.50(7) . .
O12 Eu1 O5 87.26(7) . 2_666
O11 Eu1 O5 77.72(7) . 2_666
O3 Eu1 O5 155.11(6) . 2_666
O12 Eu1 O1 124.34(7) . .
O11 Eu1 O1 146.06(7) . .
O3 Eu1 O1 83.54(6) . .
O5 Eu1 O1 80.57(6) 2_666 .
O12 Eu1 O4 78.60(8) . .
O11 Eu1 O4 71.68(7) . .
O3 Eu1 O4 52.88(6) . .
O5 Eu1 O4 147.95(6) 2_666 .
O1 Eu1 O4 131.01(6) . .
O12 Eu1 O2 72.50(8) . .
O11 Eu1 O2 144.79(8) . .
O3 Eu1 O2 76.20(7) . .
O5 Eu1 O2 78.92(7) 2_666 .
O1 Eu1 O2 51.90(6) . .
O4 Eu1 O2 122.51(7) . .
O12 Eu1 O6 152.18(7) . .
O11 Eu1 O6 90.44(8) . .
O3 Eu1 O6 77.60(6) . .
O5 Eu1 O6 116.57(6) 2_666 .
O1 Eu1 O6 76.36(6) . .
O4 Eu1 O6 73.58(7) . .
O2 Eu1 O6 123.69(6) . .
O12 Eu1 O5 146.19(7) . .
O11 Eu1 O5 74.24(7) . .
O3 Eu1 O5 126.84(6) . .
O5 Eu1 O5 65.93(7) 2_666 .
O1 Eu1 O5 73.18(6) . .
O4 Eu1 O5 113.09(6) . .
O2 Eu1 O5 118.64(6) . .
O6 Eu1 O5 50.99(5) . .
O12 Eu1 C9 81.71(8) . .
O11 Eu1 C9 97.82(8) . .
O3 Eu1 C9 26.73(7) . .
O5 Eu1 C9 168.69(7) 2_666 .
O1 Eu1 C9 107.79(7) . .
O4 Eu1 C9 26.16(7) . .
O2 Eu1 C9 100.02(7) . .
O6 Eu1 C9 73.52(7) . .
O5 Eu1 C9 123.24(7) . .
O12 Eu1 C1 98.06(8) . .
O11 Eu1 C1 155.72(8) . .
O3 Eu1 C1 79.25(7) . .
O5 Eu1 C1 78.00(7) 2_666 .
O1 Eu1 C1 26.29(7) . .
O4 Eu1 C1 132.08(7) . .
O2 Eu1 C1 25.62(7) . .
O6 Eu1 C1 100.75(7) . .
O5 Eu1 C1 96.09(7) . .
C9 Eu1 C1 105.97(8) . .
O12 Eu1 C17 161.91(8) . .
O11 Eu1 C17 81.71(8) . .
O3 Eu1 C17 101.97(7) . .
O5 Eu1 C17 91.60(6) 2_666 .
O1 Eu1 C17 73.11(6) . .
O4 Eu1 C17 93.21(7) . .
O2 Eu1 C17 124.97(6) . .
O6 Eu1 C17 25.15(6) . .
O5 Eu1 C17 25.85(6) . .
C9 Eu1 C17 98.08(7) . .
C1 Eu1 C17 99.35(7) . .
O12 Eu1 H11C 82.1(7) . .
O11 Eu1 H11C 13.9(8) . .
O3 Eu1 H11C 138.3(8) . .
O5 Eu1 H11C 63.9(8) 2_666 .
O1 Eu1 H11C 135.2(8) . .
O4 Eu1 H11C 85.6(8) . .
O2 Eu1 H11C 135.7(8) . .
O6 Eu1 H11C 95.2(7) . .
O5 Eu1 H11C 68.0(7) . .
C9 Eu1 H11C 111.7(8) . .
C1 Eu1 H11C 141.9(8) . .
C17 Eu1 H11C 81.2(7) . .
O13 Eu2 O16 96.19(9) . .
O13 Eu2 O10 86.53(7) . 2_665
O16 Eu2 O10 147.33(8) . 2_665
O13 Eu2 O15 74.88(8) . .
O16 Eu2 O15 138.94(9) . .
O10 Eu2 O15 73.20(7) 2_665 .
O13 Eu2 O14 74.76(9) . .
O16 Eu2 O14 71.18(9) . .
O10 Eu2 O14 139.87(8) 2_665 .
O15 Eu2 O14 67.80(9) . .
O13 Eu2 O9 147.18(8) . .
O16 Eu2 O9 78.58(9) . .
O10 Eu2 O9 115.33(7) 2_665 .
O15 Eu2 O9 87.86(8) . .
O14 Eu2 O9 72.89(9) . .
O13 Eu2 O8 125.84(7) . .
O16 Eu2 O8 74.79(8) . .
O10 Eu2 O8 77.32(6) 2_665 .
O15 Eu2 O8 142.66(7) . .
O14 Eu2 O8 142.05(8) . .
O9 Eu2 O8 84.46(7) . .
O13 Eu2 O7 74.11(7) . .
O16 Eu2 O7 71.64(8) . .
O10 Eu2 O7 77.94(6) 2_665 .
O15 Eu2 O7 138.43(8) . .
O14 Eu2 O7 127.69(8) . .
O9 Eu2 O7 132.01(7) . .
O8 Eu2 O7 52.13(6) . .
O13 Eu2 O10 141.78(7) . .
O16 Eu2 O10 121.73(8) . .
O10 Eu2 O10 64.59(7) 2_665 .
O15 Eu2 O10 73.16(7) . .
O14 Eu2 O10 110.95(8) . .
O9 Eu2 O10 50.73(6) . .
O8 Eu2 O10 73.77(6) . .
O7 Eu2 O10 119.58(6) . .
O13 Eu2 C25 99.76(8) . .
O16 Eu2 C25 71.31(8) . .
O10 Eu2 C25 76.13(7) 2_665 .
O15 Eu2 C25 149.11(8) . .
O14 Eu2 C25 141.18(8) . .
O9 Eu2 C25 108.83(8) . .
O8 Eu2 C25 26.29(7) . .
O7 Eu2 C25 25.84(7) . .
O10 Eu2 C25 97.01(7) . .
O13 Eu2 C33 153.66(8) . .
O16 Eu2 C33 100.42(9) . .
O10 Eu2 C33 90.32(7) 2_665 .
O15 Eu2 C33 79.18(8) . .
O14 Eu2 C33 91.40(9) . .
O9 Eu2 C33 25.01(7) . .
O8 Eu2 C33 78.58(7) . .
O7 Eu2 C33 130.65(7) . .
O10 Eu2 C33 25.73(7) . .
C25 Eu2 C33 104.85(8) . .
O13 Eu2 Eu2 116.51(6) . 2_665
O16 Eu2 Eu2 143.35(7) . 2_665
O10 Eu2 Eu2 33.56(4) 2_665 2_665
O15 Eu2 Eu2 69.98(5) . 2_665
O14 Eu2 Eu2 130.93(6) . 2_665
O9 Eu2 Eu2 81.76(5) . 2_665
O8 Eu2 Eu2 72.76(4) . 2_665
O7 Eu2 Eu2 100.54(5) . 2_665
O10 Eu2 Eu2 31.03(4) . 2_665
C25 Eu2 Eu2 86.44(5) . 2_665
C33 Eu2 Eu2 56.76(5) . 2_665
O13 Eu2 H16D 98.4(8) . .
O16 Eu2 H16D 12.3(8) . .
O10 Eu2 H16D 159.1(9) 2_665 .
O15 Eu2 H16D 127.7(9) . .
O14 Eu2 H16D 60.6(9) . .
O9 Eu2 H16D 70.2(8) . .
O8 Eu2 H16D 83.4(9) . .
O7 Eu2 H16D 83.9(9) . .
O10 Eu2 H16D 117.6(8) . .
C25 Eu2 H16D 83.0(9) . .
C33 Eu2 H16D 93.8(8) . .
Eu2 Eu2 H16D 144.7(8) 2_665 .
C1 O1 Eu1 93.75(15) . .
C1 O2 Eu1 93.61(16) . .
C9 O3 Eu1 94.35(15) . .
C9 O4 Eu1 92.10(15) . .
C17 O5 Eu1 151.62(16) . 2_666
C17 O5 Eu1 93.44(14) . .
Eu1 O5 Eu1 114.07(7) 2_666 .
C17 O6 Eu1 96.19(15) . .
C25 O7 Eu2 93.25(15) . .
C25 O8 Eu2 93.49(15) . .
C33 O9 Eu2 97.66(17) . .
C33 O10 Eu2 153.09(18) . 2_665
C33 O10 Eu2 91.49(16) . .
Eu2 O10 Eu2 115.41(7) 2_665 .
Eu1 O11 H11C 116(3) . .
Eu1 O11 H11D 131(3) . .
H11C O11 H11D 108(4) . .
Eu1 O12 H12C 129(3) . .
Eu1 O12 H12D 120(3) . .
H12C O12 H12D 111(4) . .
Eu2 O13 H13C 124(3) . .
Eu2 O13 H13D 132(3) . .
H13C O13 H13D 99(4) . .
Eu2 O14 H14C 122(3) . .
Eu2 O14 H14D 130(4) . .
H14C O14 H14D 103(5) . .
Eu2 O15 H15C 130(3) . .
Eu2 O15 H15D 122(3) . .
H15C O15 H15D 105(4) . .
Eu2 O16 H16C 129(3) . .
Eu2 O16 H16D 121(3) . .
H16C O16 H16D 109(4) . .
C6 N1 C5 117.1(3) . .
C14 N2 C13 117.3(3) . .
C22 N3 C21 117.5(3) . .
C30 N4 C29 118.2(3) . .
C38 N5 C37 117.4(8) . .
O2 C1 O1 120.7(2) . .
O2 C1 C2 119.0(3) . .
O1 C1 C2 120.3(2) . .
O2 C1 Eu1 60.77(14) . .
O1 C1 Eu1 59.96(13) . .
C2 C1 Eu1 176.4(2) . .
C3 C2 C1 118.6(3) . .
C3 C2 H2A 107.7 . .
C1 C2 H2A 107.7 . .
C3 C2 H2B 107.7 . .
C1 C2 H2B 107.7 . .
H2A C2 H2B 107.1 . .
C2 C3 C4 121.0(4) . .
C2 C3 H3A 107.1 . .
C4 C3 H3A 107.1 . .
C2 C3 H3B 107.1 . .
C4 C3 H3B 107.1 . .
H3A C3 H3B 106.8 . .
C8 C4 C5 117.1(3) . .
C8 C4 C3 119.1(3) . .
C5 C4 C3 123.8(3) . .
N1 C5 C4 123.9(3) . .
N1 C5 H5 118.0 . .
C4 C5 H5 118.0 . .
N1 C6 C7 123.5(3) . .
N1 C6 H6 118.3 . .
C7 C6 H6 118.3 . .
C6 C7 C8 118.6(3) . .
C6 C7 H7 120.7 . .
C8 C7 H7 120.7 . .
C4 C8 C7 119.8(3) . .
C4 C8 H8 120.1 . .
C7 C8 H8 120.1 . .
O4 C9 O3 120.7(2) . .
O4 C9 C10 120.7(2) . .
O3 C9 C10 118.6(2) . .
O4 C9 Eu1 61.75(13) . .
O3 C9 Eu1 58.93(12) . .
C10 C9 Eu1 176.96(19) . .
C9 C10 C11 114.4(2) . .
C9 C10 H10A 108.7 . .
C11 C10 H10A 108.7 . .
C9 C10 H10B 108.7 . .
C11 C10 H10B 108.7 . .
H10A C10 H10B 107.6 . .
C12 C11 C10 114.0(2) . .
C12 C11 H11A 108.7 . .
C10 C11 H11A 108.7 . .
C12 C11 H11B 108.7 . .
C10 C11 H11B 108.7 . .
H11A C11 H11B 107.6 . .
C13 C12 C16 117.0(3) . .
C13 C12 C11 120.8(3) . .
C16 C12 C11 122.1(3) . .
N2 C13 C12 124.7(3) . .
N2 C13 H13A 117.7 . .
C12 C13 H13A 117.7 . .
N2 C14 C15 122.6(3) . .
N2 C14 H14A 118.7 . .
C15 C14 H14A 118.7 . .
C14 C15 C16 119.4(3) . .
C14 C15 H15A 120.3 . .
C16 C15 H15A 120.3 . .
C12 C16 C15 119.0(3) . .
C12 C16 H16A 120.5 . .
C15 C16 H16A 120.5 . .
O6 C17 O5 119.4(2) . .
O6 C17 C18 121.9(2) . .
O5 C17 C18 118.7(2) . .
O6 C17 Eu1 58.67(13) . .
O5 C17 Eu1 60.72(13) . .
C18 C17 Eu1 179.21(19) . .
C17 C18 C19 115.1(2) . .
C17 C18 H18A 108.5 . .
C19 C18 H18A 108.5 . .
C17 C18 H18B 108.5 . .
C19 C18 H18B 108.5 . .
H18A C18 H18B 107.5 . .
C20 C19 C18 112.6(3) . .
C20 C19 H19A 109.1 . .
C18 C19 H19A 109.1 . .
C20 C19 H19B 109.1 . .
C18 C19 H19B 109.1 . .
H19A C19 H19B 107.8 . .
C21 C20 C24 116.4(3) . .
C21 C20 C19 122.0(3) . .
C24 C20 C19 121.6(3) . .
N3 C21 C20 124.6(3) . .
N3 C21 H21A 117.7 . .
C20 C21 H21A 117.7 . .
N3 C22 C23 122.6(3) . .
N3 C22 H22A 118.7 . .
C23 C22 H22A 118.7 . .
C24 C23 C22 119.2(3) . .
C24 C23 H23A 120.4 . .
C22 C23 H23A 120.4 . .
C23 C24 C20 119.6(3) . .
C23 C24 H24A 120.2 . .
C20 C24 H24A 120.2 . .
O7 C25 O8 121.1(2) . .
O7 C25 C26 119.4(2) . .
O8 C25 C26 119.5(2) . .
O7 C25 Eu2 60.91(13) . .
O8 C25 Eu2 60.22(13) . .
C26 C25 Eu2 178.25(19) . .
C27 C26 C25 114.4(2) . .
C27 C26 H26A 108.7 . .
C25 C26 H26A 108.7 . .
C27 C26 H26B 108.7 . .
C25 C26 H26B 108.7 . .
H26A C26 H26B 107.6 . .
C28 C27 C26 117.6(2) . .
C28 C27 H27A 107.9 . .
C26 C27 H27A 107.9 . .
C28 C27 H27B 107.9 . .
C26 C27 H27B 107.9 . .
H27A C27 H27B 107.2 . .
C29 C28 C32 117.1(3) . .
C29 C28 C27 123.3(3) . .
C32 C28 C27 119.6(3) . .
N4 C29 C28 123.4(3) . .
N4 C29 H29A 118.3 . .
C28 C29 H29A 118.3 . .
N4 C30 C31 122.6(3) . .
N4 C30 H30A 118.7 . .
C31 C30 H30A 118.7 . .
C30 C31 C32 118.9(3) . .
C30 C31 H31A 120.6 . .
C32 C31 H31A 120.6 . .
C31 C32 C28 119.7(3) . .
C31 C32 H32A 120.1 . .
C28 C32 H32A 120.1 . .
O9 C33 O10 120.1(2) . .
O9 C33 C34 122.3(3) . .
O10 C33 C34 117.7(3) . .
O9 C33 Eu2 57.32(14) . .
O10 C33 Eu2 62.78(14) . .
C34 C33 Eu2 178.0(3) . .
C35 C34 C33 115.4(4) . .
C35 C34 H34A 108.4 . .
C33 C34 H34A 108.4 . .
C35 C34 H34B 108.4 . .
C33 C34 H34B 108.4 . .
H34A C34 H34B 107.5 . .
C34 C35 C36 112.4(4) . .
C34 C35 H35A 109.1 . .
C36 C35 H35A 109.1 . .
C34 C35 H35B 109.1 . .
C36 C35 H35B 109.1 . .
H35A C35 H35B 107.9 . .
C40 C36 C37 111.5(6) . .
C40 C36 C35 126.3(7) . .
C37 C36 C35 122.0(5) . .
N5 C37 C36 125.3(6) . .
N5 C37 H37A 117.3 . .
C36 C37 H37A 117.3 . .
N5 C38 C39 124.5(8) . .
N5 C38 H38A 117.7 . .
C39 C38 H38A 117.7 . .
C38 C39 C40 115.9(9) . .
C38 C39 H39A 122.0 . .
C40 C39 H39A 122.0 . .
C36 C40 C39 122.6(9) . .
C36 C40 H40A 118.7 . .
C39 C40 H40A 118.7 . .
O19 N6 O17 120.2(6) . .
O19 N6 O18 121.5(6) . .
O17 N6 O18 118.2(5) . .
O18A N6A O19A 112.7(6) . .
O18A N6A O17A 120.6(5) . .
O19A N6A O17A 126.0(4) . .
loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_site_symmetry_2
Eu1 O12 2.349(2) .
Eu1 O11 2.385(2) .
Eu1 O3 2.4242(18) .
Eu1 O5 2.4275(16) 2_666
Eu1 O1 2.4866(17) .
Eu1 O4 2.4876(18) .
Eu1 O2 2.5064(19) .
Eu1 O6 2.5137(18) .
Eu1 O5 2.5565(17) .
Eu1 C9 2.822(2) .
Eu1 C1 2.866(3) .
Eu1 C17 2.926(3) .
Eu1 H11C 2.79(4) .
Eu2 O13 2.373(2) .
Eu2 O16 2.381(2) .
Eu2 O10 2.4172(18) 2_665
Eu2 O15 2.425(2) .
Eu2 O14 2.449(2) .
Eu2 O9 2.475(2) .
Eu2 O8 2.4860(17) .
Eu2 O7 2.5025(19) .
Eu2 O10 2.5922(19) .
Eu2 C25 2.859(2) .
Eu2 C33 2.914(3) .
Eu2 Eu2 4.2355(2) 2_665
Eu2 H16D 2.80(4) .
O1 C1 1.272(3) .
O2 C1 1.242(3) .
O3 C9 1.273(3) .
O4 C9 1.245(3) .
O5 C17 1.278(3) .
O5 Eu1 2.4275(16) 2_666
O6 C17 1.250(3) .
O7 C25 1.248(3) .
O8 C25 1.269(3) .
O9 C33 1.243(3) .
O10 C33 1.266(3) .
O10 Eu2 2.4172(18) 2_665
O11 H11C 0.74(4) .
O11 H11D 0.75(4) .
O12 H12C 0.70(4) .
O12 H12D 0.89(5) .
O13 H13C 0.77(4) .
O13 H13D 0.86(4) .
O14 H14C 0.72(5) .
O14 H14D 0.67(4) .
O15 H15C 0.82(5) .
O15 H15D 0.84(4) .
O16 H16C 0.81(5) .
O16 H16D 0.69(4) .
N1 C6 1.319(5) .
N1 C5 1.324(4) .
N2 C14 1.327(4) .
N2 C13 1.328(4) .
N3 C22 1.317(4) .
N3 C21 1.326(4) .
N4 C30 1.330(5) .
N4 C29 1.339(4) .
N5 C38 1.225(11) .
N5 C37 1.340(7) .
C1 C2 1.505(4) .
C2 C3 1.405(5) .
C2 H2A 0.9700 .
C2 H2B 0.9700 .
C3 C4 1.499(5) .
C3 H3A 0.9700 .
C3 H3B 0.9700 .
C4 C8 1.362(5) .
C4 C5 1.382(4) .
C5 H5 0.9300 .
C6 C7 1.360(5) .
C6 H6 0.9300 .
C7 C8 1.369(5) .
C7 H7 0.9300 .
C8 H8 0.9300 .
C9 C10 1.502(4) .
C10 C11 1.513(4) .
C10 H10A 0.9700 .
C10 H10B 0.9700 .
C11 C12 1.510(4) .
C11 H11A 0.9700 .
C11 H11B 0.9700 .
C12 C13 1.375(4) .
C12 C16 1.377(4) .
C13 H13A 0.9300 .
C14 C15 1.366(5) .
C14 H14A 0.9300 .
C15 C16 1.382(5) .
C15 H15A 0.9300 .
C16 H16A 0.9300 .
C17 C18 1.490(4) .
C18 C19 1.512(4) .
C18 H18A 0.9700 .
C18 H18B 0.9700 .
C19 C20 1.511(4) .
C19 H19A 0.9700 .
C19 H19B 0.9700 .
C20 C21 1.374(4) .
C20 C24 1.381(5) .
C21 H21A 0.9300 .
C22 C23 1.369(5) .
C22 H22A 0.9300 .
C23 C24 1.365(5) .
C23 H23A 0.9300 .
C24 H24A 0.9300 .
C25 C26 1.517(4) .
C26 C27 1.505(4) .
C26 H26A 0.9700 .
C26 H26B 0.9700 .
C27 C28 1.504(4) .
C27 H27A 0.9700 .
C27 H27B 0.9700 .
C28 C29 1.383(4) .
C28 C32 1.384(4) .
C29 H29A 0.9300 .
C30 C31 1.369(5) .
C30 H30A 0.9300 .
C31 C32 1.383(5) .
C31 H31A 0.9300 .
C32 H32A 0.9300 .
C33 C34 1.493(4) .
C34 C35 1.471(6) .
C34 H34A 0.9700 .
C34 H34B 0.9700 .
C35 C36 1.549(7) .
C35 H35A 0.9700 .
C35 H35B 0.9700 .
C36 C40 1.297(10) .
C36 C37 1.353(8) .
C37 H37A 0.9300 .
C38 C39 1.302(15) .
C38 H38A 0.9300 .
C39 C40 1.401(12) .
C39 H39A 0.9300 .
C40 H40A 0.9300 .
N6 O19 1.274(6) .
N6 O17 1.286(6) .
N6 O18 1.343(6) .
N6A O18A 1.285(6) .
N6A O19A 1.297(6) .
N6A O17A 1.360(5) .
