#------------------------------------------------------------------------------
#$Date: 2016-02-16 22:30:59 +0200 (Tue, 16 Feb 2016) $
#$Revision: 176467 $
#$URL: svn://www.crystallography.net/cod/cif/4/30/53/4305326.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_4305326
loop_
_publ_author_name
'Anthony D'Aléo'
'Jide Xu'
'Evan G. Moore'
'Christoph J. Jocher'
'Kenneth N. Raymond'
_publ_contact_author_email       raymond@socrates.berkeley.edu
_publ_contact_author_name        'Kenneth N. Raymond'
_publ_section_title
;
Aryl-Bridged 1-Hydroxypyridin-2-one: Sensitizer Ligands for Eu(III)
;
_journal_name_full               'Inorganic Chemistry'
_journal_page_first              6109
_journal_page_last               6111
_journal_paper_doi               10.1021/ic8003189
_journal_volume                  47
_journal_year                    2008
_chemical_formula_moiety         'C36 H24 N8 O10 Eu, C4 H12 N, 5.6(H2 O)'
_chemical_formula_sum            'C40 H47.2 Eu N9 O15.6'
_chemical_formula_weight         1055.63
_chemical_melting_point          ?
_chemical_name_common            'Europium bis(o-phen-1,2-HOPO) complex'
_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                109.74(3)
_cell_angle_beta                 94.47(3)
_cell_angle_gamma                97.58(3)
_cell_formula_units_Z            2
_cell_length_a                   8.7004(17)
_cell_length_b                   15.211(3)
_cell_length_c                   18.091(4)
_cell_measurement_reflns_used    3961
_cell_measurement_temperature    139(2)
_cell_measurement_theta_max      23.516
_cell_measurement_theta_min      2.382
_cell_volume                     2214.5(9)
_computing_cell_refinement       'SAINT V 6.22'
_computing_data_collection       'SMART V.5.618'
_computing_data_reduction        'SAINT V.6.22'
_computing_molecular_graphics    'SHELXTL (Siemens, 1996)'
_computing_publication_material  CIFTAB
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 1997)'
_computing_structure_solution    'SHELXS-97 (Sheldrick, 1990)'
_diffrn_ambient_temperature      139(2)
_diffrn_detector_area_resol_mean '8.366 mm^-1^'
_diffrn_measured_fraction_theta_full 0.954
_diffrn_measured_fraction_theta_max 0.954
_diffrn_measurement_device_type  'Brucker APEX I'
_diffrn_measurement_method       ω-scans
_diffrn_radiation_monochromator  graphite
_diffrn_radiation_source         'fine-focus sealed tube'
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_reflns_av_R_equivalents  0.0259
_diffrn_reflns_av_sigmaI/netI    0.0550
_diffrn_reflns_limit_h_max       10
_diffrn_reflns_limit_h_min       -10
_diffrn_reflns_limit_k_max       13
_diffrn_reflns_limit_k_min       -18
_diffrn_reflns_limit_l_max       22
_diffrn_reflns_limit_l_min       -22
_diffrn_reflns_number            14134
_diffrn_reflns_theta_full        26.35
_diffrn_reflns_theta_max         26.35
_diffrn_reflns_theta_min         1.21
_diffrn_standards_number         0
_exptl_absorpt_coefficient_mu    1.497
_exptl_absorpt_correction_T_max  0.9426
_exptl_absorpt_correction_T_min  0.8178
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   'SADABS V2.03'
_exptl_crystal_colour            colourless
_exptl_crystal_density_diffrn    1.583
_exptl_crystal_density_meas      ?
_exptl_crystal_density_method    .
_exptl_crystal_description       rhomboid
_exptl_crystal_F_000             1076
_exptl_crystal_size_max          0.14
_exptl_crystal_size_mid          0.08
_exptl_crystal_size_min          0.04
_refine_diff_density_max         0.887
_refine_diff_density_min         -0.531
_refine_diff_density_rms         0.108
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   0.994
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     612
_refine_ls_number_reflns         8619
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      0.994
_refine_ls_R_factor_all          0.0505
_refine_ls_R_factor_gt           0.0396
_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)+(0.0626P)²+0.0000P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0956
_refine_ls_wR_factor_ref         0.0989
_reflns_number_gt                7209
_reflns_number_total             8619
_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            ic8003189-file005_1.cif
_cod_data_source_block           euph12h
_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_enum 1527 2010-12-29 10:47:43Z saulius 

The following automatic conversions were performed:

'_chemical_melting_point' value 'not measured' was changed to '?' -
the value is undefined or not given.

Automatic conversion script
Id: cif_fix_values 1646 2011-03-28 12:23:43Z adriana 
;
_cod_original_cell_volume        2214.4(8)
_cod_original_formula_sum        'C40 H47.20 Eu N9 O15.60'
_cod_database_code               4305326
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 0.35984(2) 0.113249(13) 0.344497(11) 0.02062(8) Uani 1 1 d . . .
O6B O 0.2535(3) 0.18037(18) 0.46371(15) 0.0246(6) Uani 1 1 d . . .
O2A O 0.2465(3) 0.23512(18) 0.31693(16) 0.0257(6) Uani 1 1 d . . .
N1B N 0.6707(4) 0.2713(2) 0.43641(18) 0.0202(7) Uani 1 1 d . . .
O5B O 0.1030(3) 0.03338(19) 0.35247(15) 0.0261(6) Uani 1 1 d . . .
O5A O 0.4446(3) 0.0033(2) 0.40152(16) 0.0278(6) Uani 1 1 d . . .
O1A O 0.2864(3) 0.08777(18) 0.20679(15) 0.0263(6) Uani 1 1 d . . .
O4B O 0.0687(4) 0.3142(2) 0.66287(17) 0.0374(8) Uani 1 1 d . . .
O6A O 0.3795(4) -0.03717(19) 0.25205(16) 0.0284(7) Uani 1 1 d . . .
O2B O 0.6269(3) 0.14270(19) 0.32279(16) 0.0256(6) Uani 1 1 d . . .
N1A N 0.2138(4) 0.1508(2) 0.18551(19) 0.0235(7) Uani 1 1 d . . .
N4B N 0.1075(4) 0.1452(2) 0.47331(18) 0.0225(7) Uani 1 1 d . . .
N2B N 0.5355(4) 0.4068(2) 0.55392(18) 0.0222(7) Uani 1 1 d . . .
H2BA H 0.4830 0.3542 0.5182 0.027 Uiso 1 1 calc R . .
O1B O 0.5183(3) 0.24527(19) 0.44279(16) 0.0262(6) Uani 1 1 d . . .
C11B C 0.2085(5) 0.4960(3) 0.6617(2) 0.0266(9) Uani 1 1 d . . .
H11A H 0.1054 0.4730 0.6682 0.032 Uiso 1 1 calc R . .
N3B N 0.2339(4) 0.3363(2) 0.57603(19) 0.0233(7) Uani 1 1 d . . .
H3BA H 0.2724 0.3061 0.5328 0.028 Uiso 1 1 calc R . .
C6B C 0.6922(5) 0.4212(3) 0.5567(2) 0.0260(9) Uani 1 1 d . . .
N4A N 0.4170(4) -0.1063(2) 0.27766(19) 0.0266(8) Uani 1 1 d . . .
C1B C 0.7260(5) 0.2122(3) 0.3709(2) 0.0225(8) Uani 1 1 d . . .
O3B O 0.7842(4) 0.4863(2) 0.60618(19) 0.0443(9) Uani 1 1 d . . .
C10B C 0.2702(5) 0.5914(3) 0.6982(2) 0.0290(9) Uani 1 1 d . . .
H10A H 0.2109 0.6329 0.7313 0.035 Uiso 1 1 calc R . .
C12B C 0.2971(5) 0.4333(3) 0.6152(2) 0.0222(8) Uani 1 1 d . . .
N2A N 0.2752(4) -0.0099(2) 0.05705(19) 0.0274(8) Uani 1 1 d . . .
H2AA H 0.2953 -0.0021 0.1075 0.033 Uiso 1 1 calc R . .
C13B C 0.1194(5) 0.2855(3) 0.5990(2) 0.0256(9) Uani 1 1 d . . .
C17B C -0.1161(5) 0.0256(3) 0.4243(2) 0.0258(9) Uani 1 1 d . . .
H17A H -0.1716 -0.0310 0.3851 0.031 Uiso 1 1 calc R . .
C14B C 0.0427(5) 0.1908(3) 0.5395(2) 0.0243(9) Uani 1 1 d . . .
C9B C 0.4166(5) 0.6259(3) 0.6866(2) 0.0274(9) Uani 1 1 d . . .
H9BA H 0.4577 0.6915 0.7115 0.033 Uiso 1 1 calc R . .
O3A O 0.1512(5) 0.0493(2) -0.02756(18) 0.0496(10) Uani 1 1 d . . .
C8B C 0.5051(5) 0.5664(3) 0.6390(2) 0.0259(9) Uani 1 1 d . . .
H8BA H 0.6051 0.5915 0.6302 0.031 Uiso 1 1 calc R . .
C18B C 0.0334(5) 0.0651(3) 0.4128(2) 0.0243(9) Uani 1 1 d . . .
C4B C 0.9129(5) 0.3739(3) 0.4814(2) 0.0249(9) Uani 1 1 d . . .
H4BA H 0.9763 0.4296 0.5182 0.030 Uiso 1 1 calc R . .
C1A C 0.1950(5) 0.2296(3) 0.2481(2) 0.0244(9) Uani 1 1 d . . .
C6A C 0.1956(6) 0.0527(3) 0.0390(3) 0.0330(10) Uani 1 1 d . . .
C7B C 0.4475(5) 0.4693(3) 0.6039(2) 0.0214(8) Uani 1 1 d . . .
C15B C -0.1017(5) 0.1508(3) 0.5487(2) 0.0278(9) Uani 1 1 d . . .
H15A H -0.1476 0.1799 0.5949 0.033 Uiso 1 1 calc R . .
C3B C 0.9771(5) 0.3141(3) 0.4184(2) 0.0269(9) Uani 1 1 d . . .
H3BB H 1.0845 0.3283 0.4132 0.032 Uiso 1 1 calc R . .
C2B C 0.8840(5) 0.2347(3) 0.3642(2) 0.0246(9) Uani 1 1 d . . .
H2BB H 0.9278 0.1947 0.3215 0.030 Uiso 1 1 calc R . .
C16B C -0.1815(5) 0.0679(3) 0.4909(2) 0.0283(9) Uani 1 1 d . . .
H16A H -0.2816 0.0405 0.4977 0.034 Uiso 1 1 calc R . .
C5A C 0.1638(5) 0.1353(3) 0.1078(2) 0.0283(9) Uani 1 1 d . . .
C17A C 0.4913(5) -0.1530(3) 0.3864(3) 0.0334(10) Uani 1 1 d . . .
H17B H 0.5179 -0.1394 0.4415 0.040 Uiso 1 1 calc R . .
C2A C 0.1140(5) 0.2956(3) 0.2284(3) 0.0326(10) Uani 1 1 d . . .
H2AB H 0.0969 0.3507 0.2692 0.039 Uiso 1 1 calc R . .
C18A C 0.4516(5) -0.0807(3) 0.3592(2) 0.0254(9) Uani 1 1 d . . .
N3A N 0.3917(6) -0.1462(3) 0.1086(2) 0.0489(12) Uani 1 1 d . . .
H3AA H 0.4010 -0.0888 0.1440 0.059 Uiso 1 1 calc R . .
C8A C 0.3333(6) -0.0950(3) -0.0771(2) 0.0349(10) Uani 1 1 d . . .
H8AA H 0.2979 -0.0483 -0.0951 0.042 Uiso 1 1 calc R . .
C5B C 0.7602(5) 0.3522(3) 0.4900(2) 0.0219(8) Uani 1 1 d . . .
C7A C 0.3286(5) -0.0862(3) 0.0020(2) 0.0311(10) Uani 1 1 d . . .
C4A C 0.0838(6) 0.1997(3) 0.0911(3) 0.0374(11) Uani 1 1 d . . .
H4AA H 0.0440 0.1892 0.0378 0.045 Uiso 1 1 calc R . .
O4A O 0.3603(7) -0.3037(3) 0.0935(2) 0.0846(17) Uani 1 1 d . . .
C10A C 0.4440(7) -0.2355(4) -0.1047(3) 0.0534(15) Uani 1 1 d . . .
H10B H 0.4842 -0.2859 -0.1406 0.064 Uiso 1 1 calc R . .
C9A C 0.3878(6) -0.1693(3) -0.1298(3) 0.0405(12) Uani 1 1 d . . .
H9AA H 0.3864 -0.1745 -0.1837 0.049 Uiso 1 1 calc R . .
C15A C 0.4547(8) -0.2639(4) 0.2527(3) 0.0552(16) Uani 1 1 d . . .
H15B H 0.4551 -0.3262 0.2171 0.066 Uiso 1 1 calc R . .
C3A C 0.0604(6) 0.2804(3) 0.1516(3) 0.0411(12) Uani 1 1 d . . .
H3AB H 0.0068 0.3252 0.1393 0.049 Uiso 1 1 calc R . .
C14A C 0.4173(6) -0.1947(3) 0.2241(3) 0.0405(12) Uani 1 1 d . . .
C12A C 0.3850(7) -0.1547(3) 0.0270(3) 0.0441(13) Uani 1 1 d . . .
C13A C 0.3849(8) -0.2194(4) 0.1358(3) 0.0542(16) Uani 1 1 d . . .
C16A C 0.4918(7) -0.2417(4) 0.3344(3) 0.0448(13) Uani 1 1 d . . .
H16B H 0.5178 -0.2894 0.3538 0.054 Uiso 1 1 calc R . .
N1S N 0.1208(6) 0.1536(4) 0.8250(3) 0.0616(13) Uani 1 1 d . . .
C11A C 0.4420(8) -0.2287(4) -0.0268(3) 0.0579(17) Uani 1 1 d . . .
H11B H 0.4801 -0.2752 -0.0095 0.070 Uiso 1 1 calc R . .
C1S1 C 0.1902(8) 0.0666(5) 0.7949(4) 0.0681(18) Uani 1 1 d . . .
H1SA H 0.1200 0.0198 0.7498 0.102 Uiso 1 1 calc R . .
H1SB H 0.2050 0.0403 0.8371 0.102 Uiso 1 1 calc R . .
H1SC H 0.2915 0.0818 0.7781 0.102 Uiso 1 1 calc R . .
C1S2 C -0.0316(8) 0.1300(5) 0.8517(4) 0.0704(18) Uani 1 1 d . . .
H1SD H -0.1011 0.0814 0.8074 0.106 Uiso 1 1 calc R . .
H1SE H -0.0797 0.1870 0.8703 0.106 Uiso 1 1 calc R . .
H1SF H -0.0144 0.1059 0.8951 0.106 Uiso 1 1 calc R . .
C1S3 C 0.0902(11) 0.1923(5) 0.7609(4) 0.090(3) Uani 1 1 d . . .
H1SG H 0.0233 0.1435 0.7157 0.135 Uiso 1 1 calc R . .
H1SH H 0.1896 0.2117 0.7441 0.135 Uiso 1 1 calc R . .
H1SI H 0.0376 0.2473 0.7806 0.135 Uiso 1 1 calc R . .
C1S4 C 0.2221(9) 0.2279(5) 0.8940(4) 0.084(2) Uani 1 1 d . . .
H1SJ H 0.2421 0.2023 0.9361 0.127 Uiso 1 1 calc R . .
H1SK H 0.1692 0.2828 0.9138 0.127 Uiso 1 1 calc R . .
H1SL H 0.3216 0.2476 0.8775 0.127 Uiso 1 1 calc R . .
O1S O 1.136(4) 0.4261(19) 0.9059(15) 0.254(4) Uiso 0.543(19) 1 d P A 1
O2S O 0.613(4) 0.5305(19) 0.827(2) 0.254(4) Uiso 0.54(2) 1 d P B 2
O3S O 1.285(3) 0.422(2) 0.8301(18) 0.254(4) Uiso 0.51(2) 1 d P C 3
O4S O 0.726(3) 0.5471(14) 0.9310(13) 0.254(4) Uiso 0.691(19) 1 d P D 4
O5S O 1.250(3) 0.505(2) 0.8827(17) 0.254(4) Uiso 0.54(2) 1 d P E 5
O6S O 0.855(4) 0.4477(19) 0.775(2) 0.254(4) Uiso 0.54(2) 1 d P F 6
O7S O 0.468(3) 0.5046(17) 0.8833(16) 0.254(4) Uiso 0.579(18) 1 d P G 7
O8S O 0.955(4) 0.396(2) 0.885(2) 0.254(4) Uiso 0.51(3) 1 d P H 8
O9S O 0.564(5) 0.538(2) 0.972(2) 0.254(4) Uiso 0.400(18) 1 d P I 9
O10S O 0.795(3) 0.4789(15) 0.8524(15) 0.254(4) Uiso 0.74(2) 1 d P J 10
O11S O 0.950(5) 0.443(3) 0.840(3) 0.254(4) Uiso 0.43(3) 1 d P K 11
O12S O 0.696(6) 0.492(3) 0.769(3) 0.254(4) Uiso 0.33(2) 1 d P L 12
O13S O 1.041(2) 0.6338(14) 0.9977(12) 0.254(4) Uiso 0.637(17) 1 d P M 13
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
_geom_angle_publ_flag
O1B Eu1 O6B 63.58(9) . . ?
O1B Eu1 O6A 140.15(10) . . ?
O6B Eu1 O6A 140.03(10) . . ?
O1B Eu1 O2A 81.67(10) . . ?
O6B Eu1 O2A 79.41(9) . . ?
O6A Eu1 O2A 126.65(9) . . ?
O1B Eu1 O2B 64.61(9) . . ?
O6B Eu1 O2B 126.85(9) . . ?
O6A Eu1 O2B 80.08(10) . . ?
O2A Eu1 O2B 104.11(10) . . ?
O1B Eu1 O5A 93.10(10) . . ?
O6B Eu1 O5A 86.53(10) . . ?
O6A Eu1 O5A 64.84(9) . . ?
O2A Eu1 O5A 165.89(9) . . ?
O2B Eu1 O5A 85.17(10) . . ?
O1B Eu1 O1A 128.92(10) . . ?
O6B Eu1 O1A 135.44(10) . . ?
O6A Eu1 O1A 63.32(9) . . ?
O2A Eu1 O1A 63.76(9) . . ?
O2B Eu1 O1A 87.69(10) . . ?
O5A Eu1 O1A 128.14(9) . . ?
O1B Eu1 O5B 127.78(9) . . ?
O6B Eu1 O5B 64.24(9) . . ?
O6A Eu1 O5B 83.64(10) . . ?
O2A Eu1 O5B 91.01(10) . . ?
O2B Eu1 O5B 162.37(9) . . ?
O5A Eu1 O5B 81.81(10) . . ?
O1A Eu1 O5B 91.04(10) . . ?
O1B Eu1 C18A 109.63(10) . . ?
O6B Eu1 C18A 102.77(10) . . ?
O6A Eu1 C18A 45.56(10) . . ?
O2A Eu1 C18A 168.37(10) . . ?
O2B Eu1 C18A 83.87(10) . . ?
O5A Eu1 C18A 19.34(10) . . ?
O1A Eu1 C18A 108.80(10) . . ?
O5B Eu1 C18A 79.90(10) . . ?
O1B Eu1 C1A 97.17(10) . . ?
O6B Eu1 C1A 95.89(10) . . ?
O6A Eu1 C1A 107.83(10) . . ?
O2A Eu1 C1A 18.86(9) . . ?
O2B Eu1 C1A 101.39(10) . . ?
O5A Eu1 C1A 169.45(10) . . ?
O1A Eu1 C1A 44.95(9) . . ?
O5B Eu1 C1A 89.97(10) . . ?
C18A Eu1 C1A 152.09(10) . . ?
O1B Eu1 C1B 45.24(9) . . ?
O6B Eu1 C1B 107.97(10) . . ?
O6A Eu1 C1B 98.47(11) . . ?
O2A Eu1 C1B 97.82(10) . . ?
O2B Eu1 C1B 19.37(9) . . ?
O5A Eu1 C1B 87.49(10) . . ?
O1A Eu1 C1B 101.37(10) . . ?
O5B Eu1 C1B 167.02(9) . . ?
C18A Eu1 C1B 92.39(10) . . ?
C1A Eu1 C1B 101.45(10) . . ?
N4B O6B Eu1 121.1(2) . . ?
C1A O2A Eu1 123.5(2) . . ?
O1B N1B C5B 121.6(3) . . ?
O1B N1B C1B 115.1(3) . . ?
C5B N1B C1B 123.2(3) . . ?
C18B O5B Eu1 120.9(2) . . ?
C18A O5A Eu1 121.5(3) . . ?
N1A O1A Eu1 120.5(2) . . ?
N4A O6A Eu1 120.2(2) . . ?
C1B O2B Eu1 122.3(2) . . ?
O1A N1A C5A 121.4(3) . . ?
O1A N1A C1A 114.5(3) . . ?
C5A N1A C1A 124.0(3) . . ?
O6B N4B C18B 115.6(3) . . ?
O6B N4B C14B 120.0(3) . . ?
C18B N4B C14B 124.5(3) . . ?
C6B N2B C7B 125.6(3) . . ?
C6B N2B H2BA 117.2 . . ?
C7B N2B H2BA 117.2 . . ?
N1B O1B Eu1 121.3(2) . . ?
C10B C11B C12B 120.5(4) . . ?
C10B C11B H11A 119.8 . . ?
C12B C11B H11A 119.8 . . ?
C13B N3B C12B 126.0(3) . . ?
C13B N3B H3BA 117.0 . . ?
C12B N3B H3BA 117.0 . . ?
O3B C6B N2B 126.0(4) . . ?
O3B C6B C5B 117.3(4) . . ?
N2B C6B C5B 116.6(3) . . ?
O6A N4A C14A 119.7(3) . . ?
O6A N4A C18A 115.6(3) . . ?
C14A N4A C18A 124.7(4) . . ?
O2B C1B N1B 116.6(3) . . ?
O2B C1B C2B 126.7(3) . . ?
N1B C1B C2B 116.7(4) . . ?
N1B C1B Eu1 78.3(2) . . ?
C2B C1B Eu1 165.0(3) . . ?
C9B C10B C11B 120.2(4) . . ?
C9B C10B H10A 119.9 . . ?
C11B C10B H10A 119.9 . . ?
C11B C12B C7B 118.9(4) . . ?
C11B C12B N3B 120.9(4) . . ?
C7B C12B N3B 120.0(3) . . ?
C6A N2A C7A 125.7(4) . . ?
C6A N2A H2AA 117.2 . . ?
C7A N2A H2AA 117.2 . . ?
O4B C13B N3B 124.3(4) . . ?
O4B C13B C14B 118.4(4) . . ?
N3B C13B C14B 117.2(3) . . ?
C16B C17B C18B 121.0(4) . . ?
C16B C17B H17A 119.5 . . ?
C18B C17B H17A 119.5 . . ?
C15B C14B N4B 118.2(4) . . ?
C15B C14B C13B 119.2(3) . . ?
N4B C14B C13B 122.5(4) . . ?
C10B C9B C8B 120.8(4) . . ?
C10B C9B H9BA 119.6 . . ?
C8B C9B H9BA 119.6 . . ?
C9B C8B C7B 120.0(4) . . ?
C9B C8B H8BA 120.0 . . ?
C7B C8B H8BA 120.0 . . ?
O5B C18B N4B 118.0(4) . . ?
O5B C18B C17B 126.3(4) . . ?
N4B C18B C17B 115.7(3) . . ?
C5B C4B C3B 120.1(4) . . ?
C5B C4B H4BA 119.9 . . ?
C3B C4B H4BA 119.9 . . ?
O2A C1A N1A 117.6(4) . . ?
O2A C1A C2A 126.2(4) . . ?
N1A C1A C2A 116.2(4) . . ?
N1A C1A Eu1 80.0(2) . . ?
C2A C1A Eu1 163.3(3) . . ?
O3A C6A N2A 125.6(4) . . ?
O3A C6A C5A 117.5(4) . . ?
N2A C6A C5A 116.8(4) . . ?
C8B C7B C12B 119.6(3) . . ?
C8B C7B N2B 121.1(4) . . ?
C12B C7B N2B 119.3(3) . . ?
C14B C15B C16B 120.4(4) . . ?
C14B C15B H15A 119.8 . . ?
C16B C15B H15A 119.8 . . ?
C2B C3B C4B 119.8(4) . . ?
C2B C3B H3BB 120.1 . . ?
C4B C3B H3BB 120.1 . . ?
C3B C2B C1B 121.1(4) . . ?
C3B C2B H2BB 119.5 . . ?
C1B C2B H2BB 119.5 . . ?
C17B C16B C15B 120.1(4) . . ?
C17B C16B H16A 119.9 . . ?
C15B C16B H16A 119.9 . . ?
N1A C5A C4A 118.2(4) . . ?
N1A C5A C6A 123.9(4) . . ?
C4A C5A C6A 117.9(4) . . ?
C16A C17A C18A 120.7(4) . . ?
C16A C17A H17B 119.6 . . ?
C18A C17A H17B 119.6 . . ?
C3A C2A C1A 120.7(4) . . ?
C3A C2A H2AB 119.7 . . ?
C1A C2A H2AB 119.7 . . ?
O5A C18A N4A 117.6(4) . . ?
O5A C18A C17A 126.6(4) . . ?
N4A C18A C17A 115.9(4) . . ?
N4A C18A Eu1 78.5(2) . . ?
C17A C18A Eu1 165.5(3) . . ?
C13A N3A C12A 125.3(4) . . ?
C13A N3A H3AA 117.4 . . ?
C12A N3A H3AA 117.4 . . ?
C9A C8A C7A 121.9(5) . . ?
C9A C8A H8AA 119.0 . . ?
C7A C8A H8AA 119.0 . . ?
C4B C5B N1B 119.1(3) . . ?
C4B C5B C6B 118.7(4) . . ?
N1B C5B C6B 122.2(3) . . ?
C12A C7A C8A 117.6(4) . . ?
C12A C7A N2A 119.7(4) . . ?
C8A C7A N2A 122.6(4) . . ?
C5A C4A C3A 120.4(4) . . ?
C5A C4A H4AA 119.8 . . ?
C3A C4A H4AA 119.8 . . ?
C9A C10A C11A 119.6(4) . . ?
C9A C10A H10B 120.2 . . ?
C11A C10A H10B 120.2 . . ?
C10A C9A C8A 120.0(4) . . ?
C10A C9A H9AA 120.0 . . ?
C8A C9A H9AA 120.0 . . ?
C14A C15A C16A 119.8(4) . . ?
C14A C15A H15B 120.1 . . ?
C16A C15A H15B 120.1 . . ?
C2A C3A C4A 120.5(4) . . ?
C2A C3A H3AB 119.8 . . ?
C4A C3A H3AB 119.8 . . ?
N4A C14A C15A 117.9(4) . . ?
N4A C14A C13A 123.5(4) . . ?
C15A C14A C13A 118.6(4) . . ?
C11A C12A C7A 119.8(4) . . ?
C11A C12A N3A 120.1(4) . . ?
C7A C12A N3A 120.0(4) . . ?
O4A C13A N3A 124.8(5) . . ?
O4A C13A C14A 118.1(5) . . ?
N3A C13A C14A 117.0(4) . . ?
C17A C16A C15A 121.0(4) . . ?
C17A C16A H16B 119.5 . . ?
C15A C16A H16B 119.5 . . ?
C1S1 N1S C1S2 109.0(5) . . ?
C1S1 N1S C1S3 110.4(5) . . ?
C1S2 N1S C1S3 107.8(6) . . ?
C1S1 N1S C1S4 112.2(6) . . ?
C1S2 N1S C1S4 107.6(5) . . ?
C1S3 N1S C1S4 109.6(5) . . ?
C10A C11A C12A 121.0(5) . . ?
C10A C11A H11B 119.5 . . ?
C12A C11A H11B 119.5 . . ?
N1S C1S1 H1SA 109.5 . . ?
N1S C1S1 H1SB 109.5 . . ?
H1SA C1S1 H1SB 109.5 . . ?
N1S C1S1 H1SC 109.5 . . ?
H1SA C1S1 H1SC 109.5 . . ?
H1SB C1S1 H1SC 109.5 . . ?
N1S C1S2 H1SD 109.5 . . ?
N1S C1S2 H1SE 109.5 . . ?
H1SD C1S2 H1SE 109.5 . . ?
N1S C1S2 H1SF 109.5 . . ?
H1SD C1S2 H1SF 109.5 . . ?
H1SE C1S2 H1SF 109.5 . . ?
N1S C1S3 H1SG 109.5 . . ?
N1S C1S3 H1SH 109.5 . . ?
H1SG C1S3 H1SH 109.5 . . ?
N1S C1S3 H1SI 109.5 . . ?
H1SG C1S3 H1SI 109.5 . . ?
H1SH C1S3 H1SI 109.5 . . ?
N1S C1S4 H1SJ 109.5 . . ?
N1S C1S4 H1SK 109.5 . . ?
H1SJ C1S4 H1SK 109.5 . . ?
N1S C1S4 H1SL 109.5 . . ?
H1SJ C1S4 H1SL 109.5 . . ?
H1SK C1S4 H1SL 109.5 . . ?
loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_site_symmetry_2
_geom_bond_publ_flag
Eu1 O1B 2.360(3) . ?
Eu1 O6B 2.371(3) . ?
Eu1 O6A 2.372(3) . ?
Eu1 O2A 2.385(3) . ?
Eu1 O2B 2.396(3) . ?
Eu1 O5A 2.404(3) . ?
Eu1 O1A 2.408(3) . ?
Eu1 O5B 2.438(3) . ?
Eu1 C18A 3.246(4) . ?
Eu1 C1A 3.256(4) . ?
Eu1 C1B 3.264(4) . ?
O6B N4B 1.360(4) . ?
O2A C1A 1.262(5) . ?
N1B O1B 1.358(4) . ?
N1B C5B 1.372(5) . ?
N1B C1B 1.389(5) . ?
O5B C18B 1.270(5) . ?
O5A C18A 1.261(5) . ?
O1A N1A 1.355(4) . ?
O4B C13B 1.229(5) . ?
O6A N4A 1.351(4) . ?
O2B C1B 1.281(5) . ?
N1A C5A 1.369(5) . ?
N1A C1A 1.382(5) . ?
N4B C18B 1.371(5) . ?
N4B C14B 1.371(5) . ?
N2B C6B 1.346(5) . ?
N2B C7B 1.424(5) . ?
N2B H2BA 0.8800 . ?
C11B C10B 1.386(6) . ?
C11B C12B 1.402(5) . ?
C11B H11A 0.9500 . ?
N3B C13B 1.356(5) . ?
N3B C12B 1.414(5) . ?
N3B H3BA 0.8800 . ?
C6B O3B 1.226(5) . ?
C6B C5B 1.525(5) . ?
N4A C14A 1.366(5) . ?
N4A C18A 1.390(5) . ?
C1B C2B 1.397(6) . ?
C10B C9B 1.372(6) . ?
C10B H10A 0.9500 . ?
C12B C7B 1.409(6) . ?
N2A C6A 1.357(6) . ?
N2A C7A 1.410(5) . ?
N2A H2AA 0.8800 . ?
C13B C14B 1.506(6) . ?
C17B C16B 1.367(6) . ?
C17B C18B 1.421(6) . ?
C17B H17A 0.9500 . ?
C14B C15B 1.370(6) . ?
C9B C8B 1.383(5) . ?
C9B H9BA 0.9500 . ?
O3A C6A 1.217(5) . ?
C8B C7B 1.399(6) . ?
C8B H8BA 0.9500 . ?
C4B C5B 1.360(6) . ?
C4B C3B 1.405(6) . ?
C4B H4BA 0.9500 . ?
C1A C2A 1.421(6) . ?
C6A C5A 1.515(6) . ?
C15B C16B 1.389(6) . ?
C15B H15A 0.9500 . ?
C3B C2B 1.376(6) . ?
C3B H3BB 0.9500 . ?
C2B H2BB 0.9500 . ?
C16B H16A 0.9500 . ?
C5A C4A 1.373(6) . ?
C17A C16A 1.360(7) . ?
C17A C18A 1.417(6) . ?
C17A H17B 0.9500 . ?
C2A C3A 1.361(6) . ?
C2A H2AB 0.9500 . ?
N3A C13A 1.357(7) . ?
N3A C12A 1.434(6) . ?
N3A H3AA 0.8800 . ?
C8A C9A 1.376(6) . ?
C8A C7A 1.397(6) . ?
C8A H8AA 0.9500 . ?
C7A C12A 1.396(6) . ?
C4A C3A 1.393(6) . ?
C4A H4AA 0.9500 . ?
O4A C13A 1.230(6) . ?
C10A C9A 1.367(7) . ?
C10A C11A 1.379(7) . ?
C10A H10B 0.9500 . ?
C9A H9AA 0.9500 . ?
C15A C14A 1.384(7) . ?
C15A C16A 1.401(7) . ?
C15A H15B 0.9500 . ?
C3A H3AB 0.9500 . ?
C14A C13A 1.506(7) . ?
C12A C11A 1.393(6) . ?
C16A H16B 0.9500 . ?
N1S C1S1 1.480(8) . ?
N1S C1S2 1.488(8) . ?
N1S C1S3 1.489(8) . ?
N1S C1S4 1.492(8) . ?
C11A H11B 0.9500 . ?
C1S1 H1SA 0.9800 . ?
C1S1 H1SB 0.9800 . ?
C1S1 H1SC 0.9800 . ?
C1S2 H1SD 0.9800 . ?
C1S2 H1SE 0.9800 . ?
C1S2 H1SF 0.9800 . ?
C1S3 H1SG 0.9800 . ?
C1S3 H1SH 0.9800 . ?
C1S3 H1SI 0.9800 . ?
C1S4 H1SJ 0.9800 . ?
C1S4 H1SK 0.9800 . ?
C1S4 H1SL 0.9800 . ?
