#------------------------------------------------------------------------------
#$Date: 2016-03-23 22:14:35 +0200 (Wed, 23 Mar 2016) $
#$Revision: 179473 $
#$URL: svn://www.crystallography.net/cod/cif/4/33/70/4337079.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_4337079
loop_
_publ_author_name
'Gao, Cunji'
'Kirillov, Alexander M.'
'Dou, Wei'
'Tang, Xiaoliang'
'Liu, Liangliang'
'Yan, Xuhuan'
'Xie, Yujie'
'Zang, Peixian'
'Liu, Weisheng'
'Tang, Yu'
_publ_section_title
;
 Self-Assembly Synthesis, Structural Features, and Photophysical
 Properties of Dilanthanide Complexes Derived from a Novel Amide Type
 Ligand: Energy Transfer from Tb(III) to Eu(III) in a Heterodinuclear
 Derivative.
;
_journal_issue                   2
_journal_name_full               'Inorganic chemistry'
_journal_page_first              935
_journal_page_last               942
_journal_paper_doi               10.1021/ic402338q
_journal_volume                  53
_journal_year                    2014
_chemical_formula_sum            'C74 H82 Eu2 N12 O32'
_chemical_formula_weight         1955.44
_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                 104.485(2)
_cell_angle_gamma                90.00
_cell_formula_units_Z            2
_cell_length_a                   16.338(4)
_cell_length_b                   13.490(3)
_cell_length_c                   19.957(5)
_cell_measurement_reflns_used    5718
_cell_measurement_temperature    296(2)
_cell_measurement_theta_max      23.71
_cell_measurement_theta_min      2.39
_cell_volume                     4258.7(18)
_computing_cell_refinement       'Bruker SAINT'
_computing_data_collection       'Bruker APEX2'
_computing_data_reduction        'Bruker SAINT'
_computing_molecular_graphics    'Bruker SHELXTL'
_computing_publication_material  'Bruker SHELXTL'
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 2008)'
_computing_structure_solution    'SHELXS-97 (Sheldrick, 2008)'
_diffrn_ambient_temperature      296(2)
_diffrn_measured_fraction_theta_full 0.991
_diffrn_measured_fraction_theta_max 0.991
_diffrn_measurement_device_type  'Bruker APEX-II CCD'
_diffrn_measurement_method       'φ and 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  0.0330
_diffrn_reflns_av_sigmaI/netI    0.0462
_diffrn_reflns_limit_h_max       14
_diffrn_reflns_limit_h_min       -19
_diffrn_reflns_limit_k_max       11
_diffrn_reflns_limit_k_min       -16
_diffrn_reflns_limit_l_max       24
_diffrn_reflns_limit_l_min       -24
_diffrn_reflns_number            20073
_diffrn_reflns_theta_full        25.50
_diffrn_reflns_theta_max         25.50
_diffrn_reflns_theta_min         2.39
_exptl_absorpt_coefficient_mu    1.549
_exptl_absorpt_correction_T_max  0.722
_exptl_absorpt_correction_T_min  0.615
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   SADABS
_exptl_crystal_colour            colorless
_exptl_crystal_density_diffrn    1.525
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       block
_exptl_crystal_F_000             1984
_exptl_crystal_size_max          0.32
_exptl_crystal_size_mid          0.28
_exptl_crystal_size_min          0.21
_refine_diff_density_max         1.274
_refine_diff_density_min         -0.801
_refine_diff_density_rms         0.111
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   0.985
_refine_ls_hydrogen_treatment    mixed
_refine_ls_matrix_type           full
_refine_ls_number_parameters     636
_refine_ls_number_reflns         7868
_refine_ls_number_restraints     957
_refine_ls_restrained_S_all      1.039
_refine_ls_R_factor_all          0.0762
_refine_ls_R_factor_gt           0.0497
_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)+(0.0703P)²+16.0178P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1230
_refine_ls_wR_factor_ref         0.1453
_reflns_number_gt                5754
_reflns_number_total             7868
_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            ic402338q_si_002.cif
_cod_data_source_block           p21c
_cod_depositor_comments
;
The following automatic conversions were performed:

'_symmetry_cell_setting' value 'Monoclinic' changed to 'monoclinic'
according to
/usr/data/users/saulius/automatic-downloads/current/ACS/lib/dictionaries/cif_core.dic
dictionary named 'cif_core.dic' version 2.4.2 from
2011-04-26.

'_exptl_absorpt_correction_type' value 'MULTI-SCAN'
changed to 'multi-scan' according to
/usr/data/users/saulius/automatic-downloads/current/ACS/lib/dictionaries/cif_core.dic
dictionary named 'cif_core.dic' version 2.4.2 from 2011-04-26.

Automatic conversion script
Id: cif_fix_values 2281 2013-09-26 08:29:07Z andrius 
;
_cod_original_cell_volume        4258.7(16)
_cod_original_sg_symbol_H-M      P2(1)/c
_cod_database_code               4337079
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
_atom_site_disorder_assembly
_atom_site_disorder_group
C4 C 0.5922(5) 0.2189(5) 0.7594(3) 0.0482(17) Uani 1 1 d . A 2
C3 C 0.6537(5) 0.2060(7) 0.7264(4) 0.062(2) Uani 1 1 d . A 2
H3 H 0.6685 0.1473 0.7080 0.074 Uiso 1 1 calc R A 2
C2 C 0.6920(6) 0.3016(8) 0.7254(5) 0.077(3) Uani 1 1 d . A 2
H2 H 0.7364 0.3169 0.7057 0.093 Uiso 1 1 calc R A 2
C1 C 0.6532(7) 0.3626(8) 0.7571(5) 0.086(3) Uani 1 1 d . A 2
H1 H 0.6664 0.4294 0.7643 0.103 Uiso 1 1 calc R A 2
C16 C 0.8855(3) 0.1755(6) 0.9167(4) 0.0922(18) Uani 0.50 1 d PGU B 1
C17 C 0.9159(5) 0.0927(6) 0.8892(4) 0.0945(18) Uani 0.50 1 d PGU B 1
H17 H 0.8795 0.0546 0.8558 0.113 Uiso 0.50 1 calc PR B 1
C18 C 1.0008(5) 0.0670(5) 0.9116(5) 0.0953(18) Uani 0.50 1 d PGU B 1
H18 H 1.0211 0.0117 0.8932 0.114 Uiso 0.50 1 calc PR B 1
C19 C 1.0552(4) 0.1241(6) 0.9615(4) 0.0950(18) Uani 0.50 1 d PGU B 1
H19 H 1.1120 0.1069 0.9765 0.114 Uiso 0.50 1 calc PR B 1
C20 C 1.0247(4) 0.2069(5) 0.9890(3) 0.0943(18) Uani 0.50 1 d PGU B 1
H20 H 1.0612 0.2450 1.0224 0.113 Uiso 0.50 1 calc PR B 1
C21 C 0.9399(4) 0.2326(5) 0.9666(4) 0.0935(18) Uani 0.50 1 d PGU B 1
H21 H 0.9195 0.2879 0.9851 0.112 Uiso 0.50 1 calc PR B 1
C16' C 0.8945(3) 0.1775(6) 0.9340(4) 0.0922(18) Uani 0.50 1 d PGU B 2
C17' C 0.9269(4) 0.0876(5) 0.9182(4) 0.0941(18) Uani 0.50 1 d PGU B 2
H17' H 0.8912 0.0410 0.8914 0.113 Uiso 0.50 1 calc PR B 2
C18' C 1.0126(5) 0.0674(5) 0.9425(5) 0.0952(18) Uani 0.50 1 d PGU B 2
H18' H 1.0343 0.0072 0.9319 0.114 Uiso 0.50 1 calc PR B 2
C19' C 1.0660(3) 0.1370(6) 0.9825(4) 0.0950(18) Uani 0.50 1 d PGU B 2
H19' H 1.1233 0.1235 0.9988 0.114 Uiso 0.50 1 calc PR B 2
C20' C 1.0336(4) 0.2269(6) 0.9983(4) 0.0945(18) Uani 0.50 1 d PGU B 2
H20' H 1.0693 0.2735 1.0251 0.113 Uiso 0.50 1 calc PR B 2
C21' C 0.9478(5) 0.2471(5) 0.9740(4) 0.0936(18) Uani 0.50 1 d PGU B 2
H21' H 0.9262 0.3073 0.9846 0.112 Uiso 0.50 1 calc PR B 2
O6A O 0.9171(17) 0.543(2) 1.1812(16) 0.150(4) Uani 0.335(9) 1 d PDU C 1
C35A C 0.989(2) 0.495(2) 1.1952(15) 0.148(4) Uani 0.335(9) 1 d PDU C 1
H35A H 1.0154 0.4654 1.2372 0.178 Uiso 0.335(9) 1 calc PR C 1
C34A C 1.0184(17) 0.497(3) 1.140(2) 0.147(4) Uani 0.335(9) 1 d PDU C 1
H34A H 1.0686 0.4682 1.1354 0.176 Uiso 0.335(9) 1 calc PR C 1
C33A C 0.964(2) 0.546(3) 1.0918(14) 0.148(4) Uani 0.335(9) 1 d PDU C 1
H33A H 0.9687 0.5580 1.0471 0.178 Uiso 0.335(9) 1 calc PR C 1
C32A C 0.9018(18) 0.574(2) 1.1170(17) 0.145(4) Uani 0.335(9) 1 d PDU C 1
O6B O 0.9728(10) 0.5983(10) 1.1416(7) 0.150(4) Uani 0.665(9) 1 d PDU C 2
C35B C 1.0365(9) 0.5408(13) 1.1401(9) 0.149(4) Uani 0.665(9) 1 d PDU C 2
H35B H 1.0871 0.5365 1.1740 0.179 Uiso 0.665(9) 1 calc PR C 2
C34B C 1.0166(11) 0.4900(12) 1.0822(10) 0.150(4) Uani 0.665(9) 1 d PDU C 2
H34B H 1.0502 0.4431 1.0677 0.179 Uiso 0.665(9) 1 calc PR C 2
C33B C 0.9392(11) 0.5181(14) 1.0480(8) 0.150(4) Uani 0.665(9) 1 d PDU C 2
H33B H 0.9092 0.4951 1.0050 0.180 Uiso 0.665(9) 1 calc PR C 2
C32B C 0.9127(9) 0.5843(13) 1.0861(9) 0.142(4) Uani 0.665(9) 1 d PDU C 2
O1 O 0.5904(4) 0.3156(4) 0.7784(3) 0.0758(17) Uani 1 1 d . . .
C5 C 0.5269(5) 0.1528(7) 0.7738(4) 0.058(2) Uani 1 1 d . . .
H5A H 0.4717 0.1755 0.7479 0.070 Uiso 1 1 calc R A 2
H5B H 0.5353 0.0864 0.7581 0.070 Uiso 1 1 calc R A 2
C6 C 0.4608(4) 0.1543(5) 0.8707(3) 0.0404(15) Uani 1 1 d . . .
C7 C 0.4674(4) 0.1479(5) 0.9471(3) 0.0422(15) Uani 1 1 d . A .
C8 C 0.3961(5) 0.1742(5) 0.9698(4) 0.0511(17) Uani 1 1 d . . .
H8 H 0.3475 0.1943 0.9374 0.061 Uiso 1 1 calc R A .
C9 C 0.3956(6) 0.1714(6) 1.0389(4) 0.064(2) Uani 1 1 d . A .
H9 H 0.3482 0.1922 1.0530 0.077 Uiso 1 1 calc R . .
C10 C 0.4655(6) 0.1377(6) 1.0863(4) 0.068(2) Uani 1 1 d . . .
H10 H 0.4645 0.1326 1.1326 0.082 Uiso 1 1 calc R A .
C11 C 0.5361(5) 0.1116(6) 1.0670(4) 0.056(2) Uani 1 1 d . A .
H11 H 0.5835 0.0901 1.1002 0.068 Uiso 1 1 calc R . .
C12 C 0.5386(4) 0.1169(5) 0.9964(4) 0.0474(17) Uani 1 1 d . . .
C13 C 0.6887(5) 0.0844(6) 1.0234(4) 0.062(2) Uani 1 1 d . . .
H13A H 0.6966 0.0180 1.0426 0.075 Uiso 1 1 calc R A .
H13B H 0.6921 0.1310 1.0610 0.075 Uiso 1 1 calc R . .
C14 C 0.7544(5) 0.1068(6) 0.9865(4) 0.059(2) Uani 1 1 d . A .
H14A H 0.8089 0.1070 1.0199 0.071 Uiso 1 1 calc R . .
H14B H 0.7552 0.0535 0.9540 0.071 Uiso 1 1 calc R . .
C15 C 0.7962(5) 0.1993(7) 0.8982(4) 0.066(2) Uani 1 1 d . . .
H15A H 0.7693 0.1538 0.8617 0.080 Uiso 1 1 calc R B 1
H15B H 0.7908 0.2650 0.8777 0.080 Uiso 1 1 calc R B 1
C22 C 0.7518(5) 0.2888(6) 0.9898(4) 0.0572(19) Uani 1 1 d . . .
H22A H 0.7771 0.3406 0.9679 0.069 Uiso 1 1 calc R B .
H22B H 0.7883 0.2771 1.0355 0.069 Uiso 1 1 calc R . .
C23 C 0.6658(5) 0.3227(6) 0.9965(4) 0.061(2) Uani 1 1 d . B .
H23A H 0.6281 0.3323 0.9510 0.073 Uiso 1 1 calc R . .
H23B H 0.6413 0.2731 1.0208 0.073 Uiso 1 1 calc R . .
C24 C 0.6135(4) 0.4462(5) 1.0626(3) 0.0405(15) Uani 1 1 d . B .
C25 C 0.5378(4) 0.3968(5) 1.0546(4) 0.0489(17) Uani 1 1 d . . .
H25 H 0.5276 0.3397 1.0277 0.059 Uiso 1 1 calc R . .
C26 C 0.4774(5) 0.4305(5) 1.0859(4) 0.0516(18) Uani 1 1 d . . .
H26 H 0.4268 0.3961 1.0800 0.062 Uiso 1 1 calc R . .
C27 C 0.4910(4) 0.5146(6) 1.1257(4) 0.0512(18) Uani 1 1 d . . .
H27 H 0.4501 0.5371 1.1472 0.061 Uiso 1 1 calc R . .
C28 C 0.5656(4) 0.5651(5) 1.1335(3) 0.0455(16) Uani 1 1 d . . .
H28 H 0.5747 0.6221 1.1605 0.055 Uiso 1 1 calc R . .
C29 C 0.6285(4) 0.5335(5) 1.1019(3) 0.0390(14) Uani 1 1 d . . .
C30 C 0.7059(4) 0.5964(5) 1.1125(3) 0.0426(15) Uani 1 1 d . . .
C31 C 0.8335(5) 0.6394(6) 1.0757(5) 0.069(2) Uani 1 1 d . . .
H31A H 0.8396 0.6867 1.1133 0.083 Uiso 1 1 calc R C 2
H31B H 0.8258 0.6772 1.0332 0.083 Uiso 1 1 calc R C 2
Eu1 Eu 0.26078(2) 0.21526(3) 0.758438(16) 0.04080(13) Uani 1 1 d . . .
N1 N 0.5288(3) 0.1495(5) 0.8469(3) 0.0505(14) Uani 1 1 d . A .
H1A H 0.5771 0.1441 0.8762 0.061 Uiso 1 1 calc R . .
N2 N 0.7452(4) 0.1988(4) 0.9492(3) 0.0471(14) Uani 1 1 d . A .
N3 N 0.7573(4) 0.5832(5) 1.0718(3) 0.0574(16) Uani 1 1 d . C .
H3A H 0.7445 0.5378 1.0406 0.069 Uiso 1 1 calc R . .
N4 N 0.3030(5) 0.3934(5) 0.6909(3) 0.0653(18) Uani 1 1 d . . .
N5 N 0.2608(4) 0.1049(5) 0.6315(3) 0.0578(16) Uani 1 1 d . . .
N6 N 0.1979(4) 0.0443(5) 0.8222(3) 0.0527(15) Uani 1 1 d . . .
O3 O 0.6068(3) 0.0921(4) 0.9739(2) 0.0567(13) Uani 1 1 d . A .
O4 O 0.6768(3) 0.4140(4) 1.0342(3) 0.0543(13) Uani 1 1 d . . .
O5 O 0.7195(3) 0.6627(4) 1.1573(3) 0.0575(13) Uani 1 1 d . . .
O7 O 0.3551(3) 0.3232(4) 0.7114(3) 0.0598(13) Uani 1 1 d . A .
O8 O 0.3245(5) 0.4703(5) 0.6700(4) 0.103(2) Uani 1 1 d . A .
O9 O 0.2277(4) 0.3754(4) 0.6939(3) 0.0790(18) Uani 1 1 d . A .
O10 O 0.3238(3) 0.1054(4) 0.6832(2) 0.0556(13) Uani 1 1 d . A .
O11 O 0.2582(4) 0.0516(6) 0.5820(3) 0.095(2) Uani 1 1 d . A .
O12 O 0.2013(3) 0.1641(5) 0.6352(3) 0.0672(15) Uani 1 1 d . A .
O13 O 0.2123(3) 0.0423(4) 0.7631(3) 0.0604(13) Uani 1 1 d . A .
O14 O 0.1688(4) -0.0264(5) 0.8457(3) 0.0824(18) Uani 1 1 d . A .
O15 O 0.2154(3) 0.1236(4) 0.8555(3) 0.0621(14) Uani 1 1 d . A .
O2 O 0.3892(3) 0.1658(4) 0.8301(2) 0.0486(11) Uani 1 1 d . A .
O16 O 0.1144(3) 0.2391(5) 0.7419(3) 0.0728(14) Uani 0.507(14) 1 d PDU A 1
C36 C 0.0348(7) 0.2513(16) 0.6930(7) 0.074(3) Uani 0.507(14) 1 d PDU A 1
H36A H 0.0303 0.2070 0.6540 0.089 Uiso 0.507(14) 1 calc PR A 1
H36B H 0.0280 0.3190 0.6760 0.089 Uiso 0.507(14) 1 calc PR A 1
C37 C -0.0316(9) 0.2265(18) 0.7315(11) 0.098(5) Uani 0.507(14) 1 d PDU A 1
H37A H -0.0135 0.1700 0.7607 0.148 Uiso 0.507(14) 1 calc PR A 1
H37B H -0.0841 0.2118 0.6989 0.148 Uiso 0.507(14) 1 calc PR A 1
H37C H -0.0391 0.2822 0.7594 0.148 Uiso 0.507(14) 1 calc PR A 1
O16' O 0.1144(3) 0.2391(5) 0.7419(3) 0.0728(14) Uani 0.493(14) 1 d PDU A 2
C36' C 0.0441(7) 0.3108(10) 0.7274(9) 0.061(3) Uani 0.493(14) 1 d PDU A 2
H36C H 0.0519 0.3597 0.6940 0.073 Uiso 0.493(14) 1 calc PR A 2
H36D H 0.0407 0.3447 0.7695 0.073 Uiso 0.493(14) 1 calc PR A 2
C37' C -0.0336(9) 0.2519(18) 0.6993(13) 0.095(5) Uani 0.493(14) 1 d PDU A 2
H37D H -0.0319 0.2763 0.6545 0.114 Uiso 0.493(14) 1 d PR A 2
H37E H -0.0844 0.2744 0.7104 0.114 Uiso 0.493(14) 1 d PR A 2
H37F H -0.0328 0.1807 0.6990 0.114 Uiso 0.493(14) 1 d PR A 2
H16 H 0.1038(14) 0.205(2) 0.7747(13) 0.27(10) Uiso 1 1 d D D 1
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
C3 C4 O1 109.4(7) . .
C3 C4 C5 133.2(7) . .
O1 C4 C5 117.3(7) . .
C4 C3 C2 105.8(8) . .
C4 C3 H3 127.1 . .
C2 C3 H3 127.1 . .
C1 C2 C3 107.1(8) . .
C1 C2 H2 126.4 . .
C3 C2 H2 126.4 . .
C2 C1 O1 110.9(9) . .
C2 C1 H1 124.6 . .
O1 C1 H1 124.6 . .
C17 C16 C21 120.0 . .
C17 C16 C15 120.9(6) . .
C21 C16 C15 118.9(6) . .
C18 C17 C16 120.0 . .
C18 C17 H17 120.0 . .
C16 C17 H17 120.0 . .
C17 C18 C19 120.0 . .
C17 C18 H18 120.0 . .
C19 C18 H18 120.0 . .
C20 C19 C18 120.0 . .
C20 C19 H19 120.0 . .
C18 C19 H19 120.0 . .
C21 C20 C19 120.0 . .
C21 C20 H20 120.0 . .
C19 C20 H20 120.0 . .
C20 C21 C16 120.0 . .
C20 C21 H21 120.0 . .
C16 C21 H21 120.0 . .
C17' C16' C21' 120.0 . .
C17' C16' C15 116.9(6) . .
C21' C16' C15 122.9(6) . .
C18' C17' C16' 120.0 . .
C18' C17' H17' 120.0 . .
C16' C17' H17' 120.0 . .
C17' C18' C19' 120.0 . .
C17' C18' H18' 120.0 . .
C19' C18' H18' 120.0 . .
C20' C19' C18' 120.0 . .
C20' C19' H19' 120.0 . .
C18' C19' H19' 120.0 . .
C21' C20' C19' 120.0 . .
C21' C20' H20' 120.0 . .
C19' C20' H20' 120.0 . .
C20' C21' C16' 120.0 . .
C20' C21' H21' 120.0 . .
C16' C21' H21' 120.0 . .
C32A O6A C35A 107.8(6) . .
C34A C35A O6A 108.0(6) . .
C34A C35A H35A 126.0 . .
O6A C35A H35A 126.0 . .
C35A C34A C33A 107.5(6) . .
C35A C34A H34A 126.2 . .
C33A C34A H34A 126.2 . .
C32A C33A C34A 108.6(7) . .
C32A C33A H33A 125.7 . .
C34A C33A H33A 125.7 . .
C33A C32A O6A 108.0(7) . .
C32B O6B C35B 109.4(6) . .
O6B C35B C34B 107.9(6) . .
O6B C35B H35B 126.1 . .
C34B C35B H35B 126.1 . .
C35B C34B C33B 107.2(6) . .
C35B C34B H34B 126.4 . .
C33B C34B H34B 126.4 . .
C32B C33B C34B 107.8(6) . .
C32B C33B H33B 126.1 . .
C34B C33B H33B 126.1 . .
O6B C32B C33B 107.7(6) . .
O6B C32B C31 120.1(15) . .
C33B C32B C31 132.2(15) . .
C1 O1 C4 106.8(7) . .
N1 C5 C4 112.4(6) . .
N1 C5 H5A 109.1 . .
C4 C5 H5A 109.1 . .
N1 C5 H5B 109.1 . .
C4 C5 H5B 109.1 . .
H5A C5 H5B 107.9 . .
O2 C6 N1 120.5(6) . .
O2 C6 C7 118.7(6) . .
N1 C6 C7 120.8(6) . .
C12 C7 C8 117.8(6) . .
C12 C7 C6 124.8(6) . .
C8 C7 C6 117.4(6) . .
C9 C8 C7 122.0(7) . .
C9 C8 H8 119.0 . .
C7 C8 H8 119.0 . .
C10 C9 C8 119.2(8) . .
C10 C9 H9 120.4 . .
C8 C9 H9 120.4 . .
C11 C10 C9 121.0(8) . .
C11 C10 H10 119.5 . .
C9 C10 H10 119.5 . .
C10 C11 C12 120.5(7) . .
C10 C11 H11 119.7 . .
C12 C11 H11 119.7 . .
O3 C12 C7 117.1(6) . .
O3 C12 C11 123.4(6) . .
C7 C12 C11 119.4(7) . .
O3 C13 C14 107.9(6) . .
O3 C13 H13A 110.1 . .
C14 C13 H13A 110.1 . .
O3 C13 H13B 110.1 . .
C14 C13 H13B 110.1 . .
H13A C13 H13B 108.4 . .
N2 C14 C13 116.1(6) . .
N2 C14 H14A 108.3 . .
C13 C14 H14A 108.3 . .
N2 C14 H14B 108.3 . .
C13 C14 H14B 108.3 . .
H14A C14 H14B 107.4 . .
C16 C15 N2 122.1(7) . .
C16 C15 C16' 11.15(10) . .
N2 C15 C16' 111.5(6) . .
C16 C15 H15A 106.8 . .
N2 C15 H15A 106.8 . .
C16' C15 H15A 115.5 . .
C16 C15 H15B 106.8 . .
N2 C15 H15B 106.8 . .
C16' C15 H15B 109.1 . .
H15A C15 H15B 106.7 . .
N2 C22 C23 111.2(6) . .
N2 C22 H22A 109.4 . .
C23 C22 H22A 109.4 . .
N2 C22 H22B 109.4 . .
C23 C22 H22B 109.4 . .
H22A C22 H22B 108.0 . .
O4 C23 C22 108.0(6) . .
O4 C23 H23A 110.1 . .
C22 C23 H23A 110.1 . .
O4 C23 H23B 110.1 . .
C22 C23 H23B 110.1 . .
H23A C23 H23B 108.4 . .
O4 C24 C25 123.2(6) . .
O4 C24 C29 117.0(6) . .
C25 C24 C29 119.8(6) . .
C26 C25 C24 121.0(7) . .
C26 C25 H25 119.5 . .
C24 C25 H25 119.5 . .
C25 C26 C27 120.5(7) . .
C25 C26 H26 119.8 . .
C27 C26 H26 119.8 . .
C26 C27 C28 119.2(7) . .
C26 C27 H27 120.4 . .
C28 C27 H27 120.4 . .
C27 C28 C29 122.0(6) . .
C27 C28 H28 119.0 . .
C29 C28 H28 119.0 . .
C28 C29 C24 117.5(6) . .
C28 C29 C30 117.0(6) . .
C24 C29 C30 125.5(6) . .
O5 C30 N3 120.9(6) . .
O5 C30 C29 120.2(6) . .
N3 C30 C29 118.9(6) . .
N3 C31 C32B 117.5(10) . .
N3 C31 H31A 107.9 . .
C32B C31 H31A 107.9 . .
N3 C31 H31B 107.9 . .
C32B C31 H31B 107.9 . .
H31A C31 H31B 107.2 . .
O5 Eu1 O2 79.47(18) 3_667 .
O5 Eu1 O16 87.5(2) 3_667 .
O2 Eu1 O16 148.8(2) . .
O5 Eu1 O7 82.57(18) 3_667 .
O2 Eu1 O7 81.38(18) . .
O16 Eu1 O7 125.1(2) . .
O5 Eu1 O13 129.08(18) 3_667 .
O2 Eu1 O13 87.38(18) . .
O16 Eu1 O13 79.1(2) . .
O7 Eu1 O13 143.76(18) . .
O5 Eu1 O9 74.5(2) 3_667 .
O2 Eu1 O9 127.6(2) . .
O16 Eu1 O9 74.3(2) . .
O7 Eu1 O9 51.00(19) . .
O13 Eu1 O9 143.5(2) . .
O5 Eu1 O12 149.1(2) 3_667 .
O2 Eu1 O12 126.44(17) . .
O16 Eu1 O12 76.7(2) . .
O7 Eu1 O12 85.09(19) . .
O13 Eu1 O12 74.21(19) . .
O9 Eu1 O12 75.6(2) . .
O5 Eu1 O10 148.33(17) 3_667 .
O2 Eu1 O10 75.84(16) . .
O16 Eu1 O10 123.53(19) . .
O7 Eu1 O10 74.45(18) . .
O13 Eu1 O10 69.41(17) . .
O9 Eu1 O10 105.7(2) . .
O12 Eu1 O10 50.61(17) . .
O5 Eu1 O15 78.93(18) 3_667 .
O2 Eu1 O15 77.47(17) . .
O16 Eu1 O15 72.3(2) . .
O7 Eu1 O15 154.03(18) . .
O13 Eu1 O15 50.17(17) . .
O9 Eu1 O15 137.7(2) . .
O12 Eu1 O15 119.71(19) . .
O10 Eu1 O15 114.06(19) . .
O5 Eu1 H16 84.9(9) 3_667 .
O2 Eu1 H16 131.2(3) . .
O16 Eu1 H16 18.2(2) . .
O7 Eu1 H16 141.9(4) . .
O13 Eu1 H16 67.7(7) . .
O9 Eu1 H16 91.0(4) . .
O12 Eu1 H16 87.5(7) . .
O10 Eu1 H16 126.4(9) . .
O15 Eu1 H16 54.1(3) . .
C6 N1 C5 123.7(6) . .
C6 N1 H1A 118.2 . .
C5 N1 H1A 118.2 . .
C14 N2 C22 116.8(6) . .
C14 N2 C15 111.0(6) . .
C22 N2 C15 114.1(6) . .
C30 N3 C31 124.7(6) . .
C30 N3 H3A 117.7 . .
C31 N3 H3A 117.7 . .
O8 N4 O9 123.5(8) . .
O8 N4 O7 121.7(8) . .
O9 N4 O7 114.9(7) . .
O11 N5 O10 121.6(7) . .
O11 N5 O12 123.1(7) . .
O10 N5 O12 115.3(6) . .
O14 N6 O15 121.7(7) . .
O14 N6 O13 121.9(7) . .
O15 N6 O13 116.4(6) . .
C12 O3 C13 119.3(6) . .
C24 O4 C23 118.8(5) . .
C30 O5 Eu1 177.6(5) . 3_667
N4 O7 Eu1 97.5(4) . .
N4 O9 Eu1 95.9(4) . .
N5 O10 Eu1 96.9(4) . .
N5 O12 Eu1 96.7(4) . .
N6 O13 Eu1 98.7(4) . .
N6 O15 Eu1 94.7(4) . .
C6 O2 Eu1 170.4(5) . .
C36 O16 Eu1 146.3(8) . .
C36 O16 H16 105.2(14) . .
Eu1 O16 H16 102.3(14) . .
O16 C36 C37 105.8(11) . .
O16 C36 H36A 110.6 . .
C37 C36 H36A 110.6 . .
O16 C36 H36B 110.6 . .
C37 C36 H36B 110.6 . .
H36A C36 H36B 108.7 . .
O16 C36 H37D 170.3 . .
C37 C36 H37D 74.9 . .
H36A C36 H37D 77.7 . .
H36B C36 H37D 60.8 . .
O16 C36 H37F 116.0 . .
C37 C36 H37F 34.6 . .
H36A C36 H37F 76.2 . .
H36B C36 H37F 127.6 . .
H37D C36 H37F 70.2 . .
C36 C37 H37E 105.9 . .
H37A C37 H37E 144.0 . .
H37B C37 H37E 50.6 . .
H37C C37 H37E 63.4 . .
C36 C37 H37F 70.9 . .
H37A C37 H37F 80.7 . .
H37B C37 H37F 60.7 . .
H37C C37 H37F 168.4 . .
H37E C37 H37F 105.1 . .
C37' C36' H36C 110.5 . .
C37' C36' H36D 110.6 . .
H36C C36' H36D 108.7 . .
C36' C37' H37D 87.0 . .
C36' C37' H37E 116.8 . .
H37D C37' H37E 109.5 . .
C36' C37' H37F 121.7 . .
H37D C37' H37F 109.5 . .
H37E C37' H37F 109.5 . .
loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_site_symmetry_2
C4 C3 1.343(10) .
C4 O1 1.361(9) .
C4 C5 1.473(10) .
C3 C2 1.435(12) .
C3 H3 0.9300 .
C2 C1 1.296(13) .
C2 H2 0.9300 .
C1 O1 1.360(11) .
C1 H1 0.9300 .
C16 C17 1.3900 .
C16 C21 1.3900 .
C16 C15 1.449(10) .
C17 C18 1.3900 .
C17 H17 0.9300 .
C18 C19 1.3900 .
C18 H18 0.9300 .
C19 C20 1.3900 .
C19 H19 0.9300 .
C20 C21 1.3900 .
C20 H20 0.9300 .
C21 H21 0.9300 .
C16' C17' 1.3899 .
C16' C21' 1.3900 .
C16' C15 1.614(10) .
C17' C18' 1.3898 .
C17' H17' 0.9300 .
C18' C19' 1.3901 .
C18' H18' 0.9300 .
C19' C20' 1.3900 .
C19' H19' 0.9300 .
C20' C21' 1.3899 .
C20' H20' 0.9300 .
C21' H21' 0.9300 .
O6A C32A 1.312(9) .
O6A C35A 1.316(9) .
C35A C34A 1.305(9) .
C35A H35A 0.9300 .
C34A C33A 1.315(9) .
C34A H34A 0.9300 .
C33A C32A 1.296(9) .
C33A H33A 0.9300 .
O6B C32B 1.297(9) .
O6B C35B 1.305(9) .
C35B C34B 1.313(9) .
C35B H35B 0.9300 .
C34B C33B 1.334(9) .
C34B H34B 0.9300 .
C33B C32B 1.313(9) .
C33B H33B 0.9300 .
C32B C31 1.462(15) .
C5 N1 1.452(9) .
C5 H5A 0.9700 .
C5 H5B 0.9700 .
C6 O2 1.256(7) .
C6 N1 1.315(8) .
C6 C7 1.504(8) .
C7 C12 1.388(9) .
C7 C8 1.397(10) .
C8 C9 1.382(10) .
C8 H8 0.9300 .
C9 C10 1.366(12) .
C9 H9 0.9300 .
C10 C11 1.352(11) .
C10 H10 0.9300 .
C11 C12 1.421(10) .
C11 H11 0.9300 .
C12 O3 1.343(8) .
C13 O3 1.454(8) .
C13 C14 1.477(11) .
C13 H13A 0.9700 .
C13 H13B 0.9700 .
C14 N2 1.435(9) .
C14 H14A 0.9700 .
C14 H14B 0.9700 .
C15 N2 1.468(9) .
C15 H15A 0.9700 .
C15 H15B 0.9700 .
C22 N2 1.448(9) .
C22 C23 1.515(10) .
C22 H22A 0.9700 .
C22 H22B 0.9700 .
C23 O4 1.432(8) .
C23 H23A 0.9700 .
C23 H23B 0.9700 .
C24 O4 1.368(7) .
C24 C25 1.378(9) .
C24 C29 1.402(9) .
C25 C26 1.371(10) .
C25 H25 0.9300 .
C26 C27 1.371(10) .
C26 H26 0.9300 .
C27 C28 1.371(10) .
C27 H27 0.9300 .
C28 C29 1.400(9) .
C28 H28 0.9300 .
C29 C30 1.494(9) .
C30 O5 1.244(8) .
C30 N3 1.318(8) .
C31 N3 1.443(9) .
C31 H31A 0.9700 .
C31 H31B 0.9700 .
Eu1 O5 2.318(5) 3_667
Eu1 O2 2.322(4) .
Eu1 O16 2.353(5) .
Eu1 O7 2.469(5) .
Eu1 O13 2.473(5) .
Eu1 O9 2.503(6) .
Eu1 O12 2.505(5) .
Eu1 O10 2.508(5) .
Eu1 O15 2.559(5) .
Eu1 H16 2.67(2) .
N1 H1A 0.8600 .
N3 H3A 0.8600 .
N4 O8 1.203(9) .
N4 O9 1.270(9) .
N4 O7 1.270(8) .
N5 O11 1.212(8) .
N5 O10 1.262(7) .
N5 O12 1.274(8) .
N6 O14 1.212(8) .
N6 O15 1.254(8) .
N6 O13 1.259(8) .
O5 Eu1 2.318(5) 3_667
O16 C36 1.428(9) .
O16 H16 0.852(11) .
C36 C37 1.515(10) .
C36 H36A 0.9700 .
C36 H36B 0.9700 .
C37 H37A 0.9600 .
C37 H37B 0.9600 .
C37 H37C 0.9600 .
C37 H37E 1.0765 .
C37 H37F 0.8928 .
C36' C37' 1.484(10) .
C36' H36C 0.9700 .
C36' H36D 0.9700 .
C37' H37D 0.9600 .
C37' H37E 0.9600 .
C37' H37F 0.9600 .
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 C4 C3 C2 0.1(9) . .
C5 C4 C3 C2 175.7(8) . .
C4 C3 C2 C1 0.6(10) . .
C3 C2 C1 O1 -1.1(11) . .
C21 C16 C17 C18 0.0 . .
C15 C16 C17 C18 -175.2(8) . .
C16 C17 C18 C19 0.0 . .
C17 C18 C19 C20 0.0 . .
C18 C19 C20 C21 0.0 . .
C19 C20 C21 C16 0.0 . .
C17 C16 C21 C20 0.0 . .
C15 C16 C21 C20 175.3(8) . .
C21' C16' C17' C18' 0.0 . .
C15 C16' C17' C18' 174.6(7) . .
C16' C17' C18' C19' 0.0 . .
C17' C18' C19' C20' 0.0 . .
C18' C19' C20' C21' 0.0 . .
C19' C20' C21' C16' 0.0 . .
C17' C16' C21' C20' 0.0 . .
C15 C16' C21' C20' -174.3(7) . .
C32A O6A C35A C34A -0.1(3) . .
O6A C35A C34A C33A 0.0(3) . .
C35A C34A C33A C32A 0.0(6) . .
C34A C33A C32A O6A 0.0(7) . .
C35A O6A C32A C33A 0.1(6) . .
C32B O6B C35B C34B 0.5(3) . .
O6B C35B C34B C33B 0.3(3) . .
C35B C34B C33B C32B -1.0(6) . .
C35B O6B C32B C33B -1.1(6) . .
C35B O6B C32B C31 179.3(17) . .
C34B C33B C32B O6B 1.3(7) . .
C34B C33B C32B C31 -179.2(19) . .
C2 C1 O1 C4 1.2(10) . .
C3 C4 O1 C1 -0.7(9) . .
C5 C4 O1 C1 -177.1(7) . .
C3 C4 C5 N1 126.1(9) . .
O1 C4 C5 N1 -58.6(9) . .
O2 C6 C7 C12 167.2(6) . .
N1 C6 C7 C12 -13.9(10) . .
O2 C6 C7 C8 -12.2(9) . .
N1 C6 C7 C8 166.7(6) . .
C12 C7 C8 C9 0.9(11) . .
C6 C7 C8 C9 -179.7(7) . .
C7 C8 C9 C10 -2.9(12) . .
C8 C9 C10 C11 3.1(13) . .
C9 C10 C11 C12 -1.3(12) . .
C8 C7 C12 O3 -179.8(6) . .
C6 C7 C12 O3 0.9(10) . .
C8 C7 C12 C11 1.0(10) . .
C6 C7 C12 C11 -178.4(6) . .
C10 C11 C12 O3 180.0(7) . .
C10 C11 C12 C7 -0.8(11) . .
O3 C13 C14 N2 53.5(9) . .
C17 C16 C15 N2 116.0(8) . .
C21 C16 C15 N2 -59.3(10) . .
C17 C16 C15 C16' 135.3(6) . .
C21 C16 C15 C16' -40.0(2) . .
C17' C16' C15 C16 -51.2(7) . .
C21' C16' C15 C16 123.3(4) . .
C17' C16' C15 N2 111.3(6) . .
C21' C16' C15 N2 -74.3(8) . .
N2 C22 C23 O4 -177.2(6) . .
O4 C24 C25 C26 178.0(6) . .
C29 C24 C25 C26 -1.4(10) . .
C24 C25 C26 C27 0.2(11) . .
C25 C26 C27 C28 0.5(11) . .
C26 C27 C28 C29 0.0(11) . .
C27 C28 C29 C24 -1.2(10) . .
C27 C28 C29 C30 178.2(6) . .
O4 C24 C29 C28 -177.5(6) . .
C25 C24 C29 C28 1.9(9) . .
O4 C24 C29 C30 3.1(9) . .
C25 C24 C29 C30 -177.5(6) . .
C28 C29 C30 O5 12.7(9) . .
C24 C29 C30 O5 -167.9(6) . .
C28 C29 C30 N3 -164.5(6) . .
C24 C29 C30 N3 14.9(10) . .
O6B C32B C31 N3 -117.1(13) . .
C33B C32B C31 N3 63.4(18) . .
O2 C6 N1 C5 -2.6(11) . .
C7 C6 N1 C5 178.5(7) . .
C4 C5 N1 C6 135.5(7) . .
C13 C14 N2 C22 64.5(9) . .
C13 C14 N2 C15 -162.2(7) . .
C23 C22 N2 C14 -92.2(8) . .
C23 C22 N2 C15 135.9(7) . .
C16 C15 N2 C14 -52.3(10) . .
C16' C15 N2 C14 -56.2(8) . .
C16 C15 N2 C22 82.3(9) . .
C16' C15 N2 C22 78.4(8) . .
O5 C30 N3 C31 2.1(12) . .
C29 C30 N3 C31 179.2(7) . .
C32B C31 N3 C30 122.9(11) . .
C7 C12 O3 C13 164.0(6) . .
C11 C12 O3 C13 -16.8(10) . .
C14 C13 O3 C12 -151.9(6) . .
C25 C24 O4 C23 -2.4(10) . .
C29 C24 O4 C23 177.0(6) . .
C22 C23 O4 C24 -163.1(6) . .
N3 C30 O5 Eu1 172(12) . 3_667
C29 C30 O5 Eu1 -5(12) . 3_667
O8 N4 O7 Eu1 171.9(7) . .
O9 N4 O7 Eu1 -8.4(7) . .
O5 Eu1 O7 N4 -71.1(4) 3_667 .
O2 Eu1 O7 N4 -151.5(4) . .
O16 Eu1 O7 N4 10.5(5) . .
O13 Eu1 O7 N4 135.0(4) . .
O9 Eu1 O7 N4 5.0(4) . .
O12 Eu1 O7 N4 80.5(4) . .
O10 Eu1 O7 N4 130.9(4) . .
O15 Eu1 O7 N4 -115.9(5) . .
O8 N4 O9 Eu1 -172.0(7) . .
O7 N4 O9 Eu1 8.3(7) . .
O5 Eu1 O9 N4 88.0(5) 3_667 .
O2 Eu1 O9 N4 24.9(6) . .
O16 Eu1 O9 N4 179.8(5) . .
O7 Eu1 O9 N4 -5.0(4) . .
O13 Eu1 O9 N4 -135.5(4) . .
O12 Eu1 O9 N4 -100.3(5) . .
O10 Eu1 O9 N4 -59.1(5) . .
O15 Eu1 O9 N4 141.1(4) . .
O11 N5 O10 Eu1 -172.7(7) . .
O12 N5 O10 Eu1 7.6(7) . .
O5 Eu1 O10 N5 -146.0(4) 3_667 .
O2 Eu1 O10 N5 174.2(4) . .
O16 Eu1 O10 N5 21.1(5) . .
O7 Eu1 O10 N5 -101.0(4) . .
O13 Eu1 O10 N5 81.6(4) . .
O9 Eu1 O10 N5 -60.2(4) . .
O12 Eu1 O10 N5 -4.5(4) . .
O15 Eu1 O10 N5 105.1(4) . .
O11 N5 O12 Eu1 172.7(7) . .
O10 N5 O12 Eu1 -7.6(7) . .
O5 Eu1 O12 N5 145.0(4) 3_667 .
O2 Eu1 O12 N5 2.9(5) . .
O16 Eu1 O12 N5 -153.8(5) . .
O7 Eu1 O12 N5 78.3(4) . .
O13 Eu1 O12 N5 -71.6(4) . .
O9 Eu1 O12 N5 129.3(5) . .
O10 Eu1 O12 N5 4.5(4) . .
O15 Eu1 O12 N5 -93.5(5) . .
O14 N6 O13 Eu1 177.0(6) . .
O15 N6 O13 Eu1 -3.1(6) . .
O5 Eu1 O13 N6 3.5(5) 3_667 .
O2 Eu1 O13 N6 77.6(4) . .
O16 Eu1 O13 N6 -74.2(4) . .
O7 Eu1 O13 N6 149.2(4) . .
O9 Eu1 O13 N6 -117.8(5) . .
O12 Eu1 O13 N6 -153.3(4) . .
O10 Eu1 O13 N6 153.5(4) . .
O15 Eu1 O13 N6 1.8(4) . .
O14 N6 O15 Eu1 -177.1(6) . .
O13 N6 O15 Eu1 3.0(6) . .
O5 Eu1 O15 N6 179.6(4) 3_667 .
O2 Eu1 O15 N6 -98.9(4) . .
O16 Eu1 O15 N6 88.7(4) . .
O7 Eu1 O15 N6 -135.1(4) . .
O13 Eu1 O15 N6 -1.8(4) . .
O9 Eu1 O15 N6 127.8(4) . .
O12 Eu1 O15 N6 26.1(5) . .
O10 Eu1 O15 N6 -30.9(4) . .
N1 C6 O2 Eu1 -93(3) . .
C7 C6 O2 Eu1 86(3) . .
O5 Eu1 O2 C6 -32(3) 3_667 .
O16 Eu1 O2 C6 -99(3) . .
O7 Eu1 O2 C6 52(3) . .
O13 Eu1 O2 C6 -163(3) . .
O9 Eu1 O2 C6 29(3) . .
O12 Eu1 O2 C6 129(3) . .
O10 Eu1 O2 C6 128(3) . .
O15 Eu1 O2 C6 -113(3) . .
O5 Eu1 O16 C36 134.5(17) 3_667 .
O2 Eu1 O16 C36 -160.7(17) . .
O7 Eu1 O16 C36 55.4(17) . .
O13 Eu1 O16 C36 -94.9(17) . .
O9 Eu1 O16 C36 59.9(17) . .
O12 Eu1 O16 C36 -18.7(17) . .
O10 Eu1 O16 C36 -38.8(18) . .
O15 Eu1 O16 C36 -146.3(17) . .
Eu1 O16 C36 C37 160.4(12) . .
