#------------------------------------------------------------------------------
#$Date: 2017-09-27 04:46:26 +0300 (Wed, 27 Sep 2017) $
#$Revision: 201324 $
#$URL: file:///home/coder/svn-repositories/cod/cif/7/12/07/7120705.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_7120705
loop_
_publ_author_name
'Krekić, Kristijan'
'Klintuch, Dieter'
'Pietschnig, Rudolf'
_publ_section_title
;
 Facile access to efficiently luminescent Ln3+ phosphonic ester
 coordination polymers (Ln = Eu, Tb, Dy)
;
_journal_name_full               'Chem. Commun.'
_journal_paper_doi               10.1039/C7CC06621J
_journal_year                    2017
_chemical_formula_sum            'C39 H60 Eu0.16 N3 O18 P3 Tb0.7 Y0.14'
_chemical_formula_weight         1099.97
_space_group_crystal_system      monoclinic
_space_group_IT_number           14
_space_group_name_Hall           '-P 2yn'
_space_group_name_H-M_alt        'P 1 21/n 1'
_symmetry_space_group_name_Hall  '-P 2yn'
_symmetry_space_group_name_H-M   'P 1 21/n 1'
_atom_sites_solution_hydrogens   geom
_audit_creation_method           SHELXL-2014/7
_audit_update_record
;
2017-08-21 deposited with the CCDC.
2017-09-01 downloaded from the CCDC.
;
_cell_angle_alpha                90
_cell_angle_beta                 104.149(2)
_cell_angle_gamma                90
_cell_formula_units_Z            4
_cell_length_a                   16.5126(5)
_cell_length_b                   13.4910(4)
_cell_length_c                   22.5623(7)
_cell_measurement_reflns_used    40418
_cell_measurement_temperature    100(2)
_cell_measurement_theta_max      29.15
_cell_measurement_theta_min      1.75
_cell_volume                     4873.8(3)
_computing_structure_refinement  'SHELXL-2014/7 (Sheldrick, 2014)'
_diffrn_ambient_temperature      100
_diffrn_detector                 Pilatus200K
_diffrn_detector_area_resol_mean 5.81
_diffrn_detector_type            'DECTRIS PILATUS 200K'
_diffrn_measured_fraction_theta_full 0.998
_diffrn_measured_fraction_theta_max 0.998
_diffrn_measurement_details      ' 607 frames, detector distance = 60 mm'
_diffrn_measurement_device       'Eulerian 4-circle diffractometer'
_diffrn_measurement_device_type  'STOE STADIVARI'
_diffrn_measurement_method       'rotation method, ω scans'
_diffrn_radiation_collimation    '1.2 0.6 mm diameter'
_diffrn_radiation_monochromator  'Graded multilayer mirror'
_diffrn_radiation_polarisn_norm  0
_diffrn_radiation_probe          x-ray
_diffrn_radiation_type           'Mo K\a'
_diffrn_radiation_wavelength     0.71073
_diffrn_reflns_av_R_equivalents  0.0649
_diffrn_reflns_av_unetI/netI     0.0539
_diffrn_reflns_Laue_measured_fraction_full 0.998
_diffrn_reflns_Laue_measured_fraction_max 0.998
_diffrn_reflns_limit_h_max       19
_diffrn_reflns_limit_h_min       -19
_diffrn_reflns_limit_k_max       15
_diffrn_reflns_limit_k_min       -16
_diffrn_reflns_limit_l_max       20
_diffrn_reflns_limit_l_min       -26
_diffrn_reflns_number            30749
_diffrn_reflns_point_group_measured_fraction_full 0.998
_diffrn_reflns_point_group_measured_fraction_max 0.998
_diffrn_reflns_theta_full        24.998
_diffrn_reflns_theta_max         24.998
_diffrn_reflns_theta_min         1.750
_diffrn_source                   'Mo Genix'
_diffrn_source_current           1.000
_diffrn_source_power             0.050
_diffrn_source_voltage           50
_exptl_absorpt_coefficient_mu    1.560
_exptl_absorpt_correction_T_max  0.9470
_exptl_absorpt_correction_T_min  0.8084
_exptl_absorpt_correction_type   integration
_exptl_absorpt_process_details
;
STOE X-Red32, absorption correction by Gaussian integration, analogous to
P. Coppens, "The Evaluation of Absorption and Extinction in Single-Crystal
Structure Analysis", published in
F. R. Ahmed (Editor), "Crystallographic Computing",
Munksgaard, Copenhagen (1970), 255 - 270
;
_exptl_crystal_colour            colorless
_exptl_crystal_density_diffrn    1.499
_exptl_crystal_description       plate
_exptl_crystal_F_000             2260
_exptl_crystal_size_max          0.150
_exptl_crystal_size_mid          0.110
_exptl_crystal_size_min          0.040
_refine_diff_density_max         7.896
_refine_diff_density_min         -4.525
_refine_diff_density_rms         0.435
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   2.569
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     564
_refine_ls_number_reflns         8568
_refine_ls_number_restraints     4
_refine_ls_restrained_S_all      2.572
_refine_ls_R_factor_all          0.2120
_refine_ls_R_factor_gt           0.1848
_refine_ls_shift/su_max          1.659
_refine_ls_shift/su_mean         0.020
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'w=1/[σ²(Fo²)+(0.2000P)²] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.5408
_refine_ls_wR_factor_ref         0.5560
_reflns_Friedel_coverage         0.000
_reflns_number_gt                6587
_reflns_number_total             8568
_reflns_threshold_expression     'I > 2σ(I)'
_cod_data_source_file            c7cc06621j2.cif
_cod_data_source_block           EuTbYL5
_cod_original_formula_sum        'C39 H60 Eu0.16 N3 O18 P3 Tb0.70 Y0.14'
_cod_database_code               7120705
_shelx_shelxl_version_number     2014/7
_shelx_space_group_comment
;
The symmetry employed for this shelxl refinement is uniquely defined
by the following loop, which should always be used as a source of
symmetry information in preference to the above space-group names.
They are only intended as comments.
;
_shelx_estimated_absorpt_t_min   0.800
_shelx_estimated_absorpt_t_max   0.940
loop_
_space_group_symop_operation_xyz
'x, y, z'
'-x+1/2, y+1/2, -z+1/2'
'-x, -y, -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_site_symmetry_order
_atom_site_calc_flag
_atom_site_refinement_flags_posn
_atom_site_refinement_flags_adp
_atom_site_refinement_flags_occupancy
_atom_site_disorder_assembly
_atom_site_disorder_group
Tb1 Tb 0.50795(11) 0.76736(16) 0.79979(10) 0.048(4) Uani 0.704(3) 1 d . . P A 1
Eu1 Eu 0.5089 0.7653 0.8015 0.01(2) Uiso 0.161(3) 1 d . . P A 2
Y1 Y 0.5089 0.7653 0.8015 0.018(12) Uiso 0.135(3) 1 d . . P A 3
N111 N 0.3277(14) 0.7736(16) 0.7637(13) 0.063(6) Uani 1 1 d . . . . .
N112 N 0.4950(11) 0.8122(14) 0.9218(8) 0.041(4) Uani 1 1 d . . . . .
N113 N 0.692(2) 0.7710(18) 0.8296(9) 0.081(9) Uani 1 1 d . . . . .
O12 O 0.3888(9) 0.6803(13) 0.5902(6) 0.053(4) Uani 1 1 d D . . . .
O13 O 0.5151(10) 0.5796(12) 0.6332(7) 0.054(4) Uani 1 1 d . . . . .
O14 O 0.5370(11) 0.5971(11) 0.8153(6) 0.053(4) Uani 1 1 d . . . . .
O15 O 0.5833(11) 0.4193(12) 0.8331(7) 0.053(4) Uani 1 1 d . . . . .
O16 O 0.4854(10) 0.4828(13) 0.8908(7) 0.057(4) Uani 1 1 d . . . . .
O21 O 0.5438(9) 0.9223(12) 0.7736(6) 0.047(4) Uani 1 1 d . . . . .
O22 O 0.5068(9) 1.1049(12) 0.7591(7) 0.050(4) Uani 1 1 d . . . . .
O23 O 0.6328(10) 1.0618(12) 0.8373(7) 0.050(4) Uani 1 1 d . . . . .
O111 O 0.3687(11) 0.7021(12) 0.7949(8) 0.056(4) Uani 1 1 d . . . . .
O112 O 0.2537(13) 0.7697(15) 0.7396(13) 0.091(8) Uani 1 1 d . . . . .
O113 O 0.3725(10) 0.8478(11) 0.7539(8) 0.059(5) Uani 1 1 d . . . . .
O114 O 0.4797(9) 0.8764(12) 0.8783(7) 0.049(4) Uani 1 1 d . . . . .
O115 O 0.4963(12) 0.8395(14) 0.9758(8) 0.069(5) Uani 1 1 d . . . . .
O116 O 0.5072(12) 0.7280(13) 0.9107(8) 0.055(5) Uani 1 1 d . . . . .
O117 O 0.6486(10) 0.7799(12) 0.8655(7) 0.048(4) Uani 1 1 d . . . . .
O118 O 0.7668(13) 0.7754(19) 0.8354(14) 0.098(9) Uani 1 1 d . . . . .
O119 O 0.6448(9) 0.7483(11) 0.7713(6) 0.043(4) Uani 1 1 d . . . . .
P11 P 0.4439(4) 0.6405(5) 0.6519(3) 0.0480(15) Uani 1 1 d . . . . .
P12 P 0.5574(4) 0.5158(4) 0.8614(3) 0.0439(14) Uani 1 1 d . . . . .
P21 P 0.5755(3) 1.0256(4) 0.7741(2) 0.0394(14) Uani 1 1 d . . . . .
C11 C 0.3498(16) 0.4641(19) 0.6376(11) 0.053(6) Uani 1 1 d . . . . .
C12 C 0.2698(18) 0.439(2) 0.6270(13) 0.079(10) Uani 1 1 d . . . . .
H12 H 0.2350 0.4794 0.6445 0.094 Uiso 1 1 calc R U . . .
C13 C 0.2308(19) 0.356(2) 0.5917(13) 0.076(8) Uani 1 1 d . . . . .
H13 H 0.1721 0.3463 0.5829 0.091 Uiso 1 1 calc R U . . .
C14 C 0.2844(13) 0.2866(18) 0.5699(9) 0.043(5) Uani 1 1 d . . . . .
C15 C 0.367(2) 0.314(2) 0.5799(19) 0.099(13) Uani 1 1 d . . . . .
H15 H 0.4035 0.2727 0.5645 0.119 Uiso 1 1 calc R U . . .
C16 C 0.400(2) 0.399(3) 0.6112(18) 0.105(14) Uani 1 1 d . . . . .
H16 H 0.4572 0.4149 0.6152 0.126 Uiso 1 1 calc R U . . .
C17 C 0.7484(13) 0.3020(17) 1.0361(10) 0.041(5) Uani 1 1 d . . . . .
C18 C 0.6711(15) 0.3416(18) 1.0382(10) 0.049(5) Uani 1 1 d . . . . .
H18 H 0.6418 0.3112 1.0647 0.059 Uiso 1 1 calc R U . . .
C19 C 0.6359(13) 0.4185(14) 1.0058(9) 0.039(5) Uani 1 1 d . . . . .
H19 H 0.5833 0.4429 1.0094 0.047 Uiso 1 1 calc R U . . .
C110 C 0.6775(13) 0.4627(17) 0.9665(9) 0.045(5) Uani 1 1 d . . . . .
C111 C 0.7576(12) 0.4358(19) 0.9675(10) 0.049(6) Uani 1 1 d . . . . .
H111 H 0.7905 0.4730 0.9463 0.059 Uiso 1 1 calc R U . . .
C112 C 0.7888(13) 0.352(2) 1.0006(9) 0.053(6) Uani 1 1 d . . . . .
H112 H 0.8421 0.3282 0.9981 0.064 Uiso 1 1 calc R U . . .
C21 C 0.5985(13) 1.031(2) 0.6578(8) 0.050(6) Uani 1 1 d . . . . .
C22 C 0.5877(16) 1.110(2) 0.6182(10) 0.056(6) Uani 1 1 d . . . . .
H22 H 0.6082 1.1742 0.6322 0.068 Uiso 1 1 calc R U . . .
C23 C 0.5467(16) 1.0954(19) 0.5578(12) 0.058(6) Uani 1 1 d . . . . .
H23 H 0.5342 1.1516 0.5318 0.070 Uiso 1 1 calc R U . . .
C24 C 0.5247(14) 1.0097(18) 0.5351(11) 0.050(6) Uani 1 1 d . . . . .
C25 C 0.5366(15) 0.9292(16) 0.5746(10) 0.049(6) Uani 1 1 d . . . . .
H25 H 0.5172 0.8655 0.5595 0.058 Uiso 1 1 calc R U . . .
C26 C 0.5759(13) 0.9410(19) 0.6348(9) 0.046(5) Uani 1 1 d . . . . .
H26 H 0.5873 0.8845 0.6606 0.055 Uiso 1 1 calc R U . . .
C27 C 0.6462(14) 1.0453(19) 0.7278(9) 0.051(6) Uani 1 1 d . . . . .
H27A H 0.6695 1.1132 0.7344 0.061 Uiso 1 1 calc R U . . .
H27B H 0.6930 0.9976 0.7390 0.061 Uiso 1 1 calc R U . . .
C28 C 0.4157(16) 1.080(3) 0.7359(14) 0.083(10) Uani 1 1 d . . . . .
H28 H 0.4120 1.0094 0.7211 0.100 Uiso 1 1 calc R U . . .
C29 C 0.385(2) 1.139(5) 0.6863(17) 0.15(2) Uani 1 1 d . . . . .
H29A H 0.3251 1.1249 0.6698 0.219 Uiso 1 1 calc R U . . .
H29B H 0.3913 1.2089 0.6989 0.219 Uiso 1 1 calc R U . . .
H29C H 0.4149 1.1267 0.6547 0.219 Uiso 1 1 calc R U . . .
C113 C 0.3854(14) 0.5463(16) 0.6792(9) 0.047(5) Uani 1 1 d . . . . .
H11A H 0.4223 0.5170 0.7164 0.056 Uiso 1 1 calc R U . . .
H11B H 0.3388 0.5792 0.6920 0.056 Uiso 1 1 calc R U . . .
C117 C 0.579(2) 0.629(3) 0.6108(18) 0.095(13) Uani 1 1 d . . . . .
H117 H 0.5739 0.7025 0.6096 0.114 Uiso 1 1 calc R U . . .
C118 C 0.659(3) 0.594(6) 0.649(3) 0.23(4) Uani 1 1 d . . . . .
H11I H 0.6679 0.6217 0.6898 0.351 Uiso 1 1 calc R U . . .
H11J H 0.6584 0.5212 0.6509 0.351 Uiso 1 1 calc R U . . .
H11K H 0.7043 0.6149 0.6304 0.351 Uiso 1 1 calc R U . . .
C119 C 0.571(2) 0.587(7) 0.554(2) 0.26(5) Uani 1 1 d . . . . .
H11L H 0.6129 0.6154 0.5347 0.389 Uiso 1 1 calc R U . . .
H11M H 0.5802 0.5149 0.5586 0.389 Uiso 1 1 calc R U . . .
H11N H 0.5151 0.5996 0.5286 0.389 Uiso 1 1 calc R U . . .
C120 C 0.6376(13) 0.5548(16) 0.9261(10) 0.042(5) Uani 1 1 d . . . . .
H12A H 0.6817 0.5904 0.9118 0.050 Uiso 1 1 calc R U . . .
H12B H 0.6136 0.6011 0.9513 0.050 Uiso 1 1 calc R U . . .
C121 C 0.634(4) 0.414(3) 0.789(2) 0.134(19) Uani 1 1 d . . . . .
H121 H 0.6490 0.4797 0.7750 0.161 Uiso 1 1 calc R U . . .
C122 C 0.7031(19) 0.346(4) 0.8080(17) 0.128(19) Uani 1 1 d . . . . .
H12C H 0.7354 0.3450 0.7770 0.192 Uiso 1 1 calc R U . . .
H12D H 0.7389 0.3685 0.8471 0.192 Uiso 1 1 calc R U . . .
H12E H 0.6820 0.2796 0.8129 0.192 Uiso 1 1 calc R U . . .
C123 C 0.565(4) 0.348(3) 0.7348(18) 0.15(2) Uani 1 1 d . . . . .
H12F H 0.5887 0.3362 0.6998 0.223 Uiso 1 1 calc R U . . .
H12G H 0.5531 0.2842 0.7519 0.223 Uiso 1 1 calc R U . . .
H12H H 0.5126 0.3854 0.7215 0.223 Uiso 1 1 calc R U . . .
C124 C 0.4168(17) 0.414(2) 0.8569(11) 0.070(8) Uani 1 1 d . . . . .
H124 H 0.4327 0.3818 0.8216 0.084 Uiso 1 1 calc R U . . .
C125 C 0.4052(16) 0.339(2) 0.9026(13) 0.069(7) Uani 1 1 d . . . . .
H12I H 0.3613 0.2926 0.8832 0.103 Uiso 1 1 calc R U . . .
H12J H 0.4576 0.3032 0.9182 0.103 Uiso 1 1 calc R U . . .
H12K H 0.3892 0.3728 0.9366 0.103 Uiso 1 1 calc R U . . .
C126 C 0.3367(17) 0.477(2) 0.8352(11) 0.063(7) Uani 1 1 d . . . . .
H12L H 0.3451 0.5261 0.8052 0.095 Uiso 1 1 calc R U . . .
H12M H 0.2898 0.4338 0.8164 0.095 Uiso 1 1 calc R U . . .
H12N H 0.3243 0.5114 0.8703 0.095 Uiso 1 1 calc R U . . .
C210 C 0.3751(19) 1.084(2) 0.7901(15) 0.084(9) Uani 1 1 d . . . . .
H21A H 0.4034 1.0382 0.8220 0.125 Uiso 1 1 calc R U . . .
H21B H 0.3799 1.1520 0.8066 0.125 Uiso 1 1 calc R U . . .
H21C H 0.3159 1.0664 0.7764 0.125 Uiso 1 1 calc R U . . .
C211 C 0.5997(16) 1.069(2) 0.8937(9) 0.054(6) Uani 1 1 d . . . . .
H211 H 0.5413 1.0431 0.8856 0.064 Uiso 1 1 calc R U . . .
C212 C 0.6561(16) 1.0120(19) 0.9426(10) 0.058(6) Uani 1 1 d . . . . .
H21D H 0.6524 0.9415 0.9319 0.086 Uiso 1 1 calc R U . . .
H21E H 0.7136 1.0349 0.9472 0.086 Uiso 1 1 calc R U . . .
H21F H 0.6398 1.0218 0.9811 0.086 Uiso 1 1 calc R U . . .
C213 C 0.6019(16) 1.1786(19) 0.9067(9) 0.055(6) Uani 1 1 d . . . . .
H21G H 0.5635 1.2130 0.8730 0.082 Uiso 1 1 calc R U . . .
H21H H 0.5848 1.1904 0.9448 0.082 Uiso 1 1 calc R U . . .
H21I H 0.6587 1.2036 0.9108 0.082 Uiso 1 1 calc R U . . .
O11 O 0.4062(10) 0.7340(10) 0.6961(7) 0.041(3) Uiso 1 1 d . . . . .
C114 C 0.3057(11) 0.7469(12) 0.5861(9) 0.032(4) Uiso 1 1 d D . . . .
H114 H 0.2819 0.7370 0.6223 0.038 Uiso 1 1 calc R U . . .
C116 C 0.252(2) 0.695(3) 0.5278(12) 0.093(10) Uiso 1 1 d D . . . .
H11C H 0.1976 0.7275 0.5153 0.140 Uiso 1 1 calc R U . . .
H11D H 0.2447 0.6251 0.5368 0.140 Uiso 1 1 calc R U . . .
H11E H 0.2810 0.7000 0.4947 0.140 Uiso 1 1 calc R U . . .
C115 C 0.3330(19) 0.8523(17) 0.5808(14) 0.077(8) Uiso 1 1 d D . . . .
H11F H 0.3643 0.8565 0.5492 0.116 Uiso 1 1 calc R U . . .
H11G H 0.3687 0.8737 0.6201 0.116 Uiso 1 1 calc R U . . .
H11H H 0.2837 0.8952 0.5698 0.116 Uiso 1 1 calc R U . . .
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'
P P 0.1023 0.0942 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Tb Tb -0.1723 4.1537 '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'
Y Y -2.7962 3.5667 '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_3
O21 Tb1 O14 150.8(6) .
O21 Tb1 O114 75.2(5) .
O14 Tb1 O114 123.4(6) .
O21 Tb1 O117 80.0(5) .
O14 Tb1 O117 81.3(5) .
O114 Tb1 O117 80.7(5) .
O21 Tb1 O111 128.2(6) .
O14 Tb1 O111 79.0(6) .
O114 Tb1 O111 84.5(6) .
O117 Tb1 O111 143.2(6) .
O21 Tb1 O113 75.8(5) .
O14 Tb1 O113 128.4(5) .
O114 Tb1 O113 74.0(5) .
O117 Tb1 O113 148.6(5) .
O111 Tb1 O113 52.7(6) .
O21 Tb1 O119 73.9(5) .
O14 Tb1 O119 77.0(6) .
O114 Tb1 O119 126.4(5) .
O117 Tb1 O119 51.6(5) .
O111 Tb1 O119 148.1(5) .
O113 Tb1 O119 135.8(6) .
O21 Tb1 O116 120.3(5) .
O14 Tb1 O116 72.7(5) .
O114 Tb1 O116 50.7(5) .
O117 Tb1 O116 69.6(5) .
O111 Tb1 O116 74.9(6) .
O113 Tb1 O116 106.3(6) .
O119 Tb1 O116 116.7(5) .
O21 Tb1 O11 94.5(5) .
O14 Tb1 O11 91.6(5) .
O114 Tb1 O11 124.8(5) .
O117 Tb1 O11 151.9(5) .
O111 Tb1 O11 59.7(5) .
O113 Tb1 O11 51.1(5) .
O119 Tb1 O11 100.3(5) .
O116 Tb1 O11 134.1(6) .
O21 Tb1 N112 98.0(5) .
O14 Tb1 N112 97.1(5) .
O114 Tb1 N112 26.4(5) .
O117 Tb1 N112 71.7(5) .
O111 Tb1 N112 80.2(5) .
O113 Tb1 N112 92.1(6) .
O119 Tb1 N112 123.3(5) .
O116 Tb1 N112 24.4(5) .
O11 Tb1 N112 136.4(5) .
O21 Tb1 N111 102.4(6) .
O14 Tb1 N111 103.2(6) .
O114 Tb1 N111 79.6(6) .
O117 Tb1 N111 158.8(7) .
O111 Tb1 N111 26.2(6) .
O113 Tb1 N111 26.5(6) .
O119 Tb1 N111 149.5(6) .
O116 Tb1 N111 91.8(7) .
O11 Tb1 N111 49.3(6) .
N112 Tb1 N111 87.2(7) .
O21 Tb1 N113 74.1(6) .
O14 Tb1 N113 79.7(6) .
O114 Tb1 N113 101.2(6) .
O117 Tb1 N113 23.7(5) .
O111 Tb1 N113 157.5(6) .
O113 Tb1 N113 149.8(6) .
O119 Tb1 N113 28.0(5) .
O116 Tb1 N113 91.8(6) .
O11 Tb1 N113 128.3(5) .
N112 Tb1 N113 95.3(5) .
N111 Tb1 N113 175.9(7) .
O21 Eu1 O14 150.8(6) .
O21 Eu1 O117 79.8(5) .
O14 Eu1 O117 82.5(5) .
O21 Eu1 O114 74.7(5) .
O14 Eu1 O114 125.1(5) .
O117 Eu1 O114 81.4(5) .
O21 Eu1 O111 126.7(6) .
O14 Eu1 O111 79.7(6) .
O117 Eu1 O111 145.1(6) .
O114 Eu1 O111 84.7(5) .
O21 Eu1 O113 74.7(5) .
O14 Eu1 O113 128.4(5) .
O117 Eu1 O113 148.0(5) .
O114 Eu1 O113 73.6(5) .
O111 Eu1 O113 52.3(6) .
O21 Eu1 O119 73.3(5) .
O14 Eu1 O119 77.5(6) .
O117 Eu1 O119 51.8(5) .
O114 Eu1 O119 126.7(5) .
O111 Eu1 O119 148.2(5) .
O113 Eu1 O119 134.0(5) .
O21 Eu1 O116 120.7(5) .
O14 Eu1 O116 73.9(5) .
O117 Eu1 O116 70.6(5) .
O114 Eu1 O116 51.2(5) .
O111 Eu1 O116 75.7(6) .
O113 Eu1 O116 106.5(6) .
O119 Eu1 O116 118.1(5) .
O21 Eu1 O11 92.9(5) .
O14 Eu1 O11 91.6(5) .
O117 Eu1 O11 151.3(5) .
O114 Eu1 O11 123.7(5) .
O111 Eu1 O11 59.3(5) .
O113 Eu1 O11 50.4(5) .
O119 Eu1 O11 99.4(4) .
O116 Eu1 O11 134.6(6) .
O21 Eu1 N112 98.0(5) .
O14 Eu1 N112 98.6(5) .
O117 Eu1 N112 72.5(5) .
O114 Eu1 N112 26.7(5) .
O111 Eu1 N112 80.8(5) .
O113 Eu1 N112 92.1(6) .
O119 Eu1 N112 124.3(5) .
O116 Eu1 N112 24.7(5) .
O11 Eu1 N112 136.2(5) .
O21 Eu1 N111 101.0(6) .
O14 Eu1 N111 103.6(6) .
O117 Eu1 N111 159.7(7) .
O114 Eu1 N111 79.4(6) .
O111 Eu1 N111 26.0(6) .
O113 Eu1 N111 26.4(6) .
O119 Eu1 N111 148.1(6) .
O116 Eu1 N111 92.2(7) .
O11 Eu1 N111 48.9(6) .
N112 Eu1 N111 87.4(7) .
O21 Eu1 N113 74.0(6) .
O14 Eu1 N113 80.5(6) .
O117 Eu1 N113 23.7(5) .
O114 Eu1 N113 101.8(6) .
O111 Eu1 N113 159.3(6) .
O113 Eu1 N113 148.4(6) .
O119 Eu1 N113 28.2(5) .
O116 Eu1 N113 92.9(6) .
O11 Eu1 N113 127.6(5) .
N112 Eu1 N113 96.2(5) .
N111 Eu1 N113 174.2(7) .
O21 Y1 O14 150.8(6) .
O21 Y1 O117 79.8(5) .
O14 Y1 O117 82.5(5) .
O21 Y1 O114 74.7(5) .
O14 Y1 O114 125.1(5) .
O117 Y1 O114 81.4(5) .
O21 Y1 O111 126.7(6) .
O14 Y1 O111 79.7(6) .
O117 Y1 O111 145.1(6) .
O114 Y1 O111 84.7(5) .
O21 Y1 O113 74.7(5) .
O14 Y1 O113 128.4(5) .
O117 Y1 O113 148.0(5) .
O114 Y1 O113 73.6(5) .
O111 Y1 O113 52.3(6) .
O21 Y1 O119 73.3(5) .
O14 Y1 O119 77.5(6) .
O117 Y1 O119 51.8(5) .
O114 Y1 O119 126.7(5) .
O111 Y1 O119 148.2(5) .
O113 Y1 O119 134.0(5) .
O21 Y1 O116 120.7(5) .
O14 Y1 O116 73.9(5) .
O117 Y1 O116 70.6(5) .
O114 Y1 O116 51.2(5) .
O111 Y1 O116 75.7(6) .
O113 Y1 O116 106.5(6) .
O119 Y1 O116 118.1(5) .
O21 Y1 O11 92.9(5) .
O14 Y1 O11 91.6(5) .
O117 Y1 O11 151.3(5) .
O114 Y1 O11 123.7(5) .
O111 Y1 O11 59.3(5) .
O113 Y1 O11 50.4(5) .
O119 Y1 O11 99.4(4) .
O116 Y1 O11 134.6(6) .
O21 Y1 N112 98.0(5) .
O14 Y1 N112 98.6(5) .
O117 Y1 N112 72.5(5) .
O114 Y1 N112 26.7(5) .
O111 Y1 N112 80.8(5) .
O113 Y1 N112 92.1(6) .
O119 Y1 N112 124.3(5) .
O116 Y1 N112 24.7(5) .
O11 Y1 N112 136.2(5) .
O21 Y1 N111 101.0(6) .
O14 Y1 N111 103.6(6) .
O117 Y1 N111 159.7(7) .
O114 Y1 N111 79.4(6) .
O111 Y1 N111 26.0(6) .
O113 Y1 N111 26.4(6) .
O119 Y1 N111 148.1(6) .
O116 Y1 N111 92.2(7) .
O11 Y1 N111 48.9(6) .
N112 Y1 N111 87.4(7) .
O21 Y1 N113 74.0(6) .
O14 Y1 N113 80.5(6) .
O117 Y1 N113 23.7(5) .
O114 Y1 N113 101.8(6) .
O111 Y1 N113 159.3(6) .
O113 Y1 N113 148.4(6) .
O119 Y1 N113 28.2(5) .
O116 Y1 N113 92.9(6) .
O11 Y1 N113 127.6(5) .
N112 Y1 N113 96.2(5) .
N111 Y1 N113 174.2(7) .
O112 N111 O111 123(2) .
O112 N111 O113 121(2) .
O111 N111 O113 115(2) .
O112 N111 Tb1 169(2) .
O111 N111 Tb1 57.0(11) .
O113 N111 Tb1 58.5(11) .
O112 N111 Y1 170(2) .
O111 N111 Y1 56.2(11) .
O113 N111 Y1 59.3(11) .
O112 N111 Eu1 170(2) .
O111 N111 Eu1 56.2(11) .
O113 N111 Eu1 59.3(11) .
O116 N112 O115 121.1(17) .
O116 N112 O114 119.5(17) .
O115 N112 O114 119.4(18) .
O116 N112 Eu1 62.0(10) .
O115 N112 Eu1 173.2(14) .
O114 N112 Eu1 57.9(9) .
O116 N112 Y1 62.0(10) .
O115 N112 Y1 173.2(14) .
O114 N112 Y1 57.9(9) .
O116 N112 Tb1 62.7(11) .
O115 N112 Tb1 173.1(14) .
O114 N112 Tb1 57.2(9) .
O118 N113 O117 133(3) .
O118 N113 O119 116(2) .
O117 N113 O119 111(3) .
O118 N113 Y1 174(2) .
O117 N113 Y1 53.1(16) .
O119 N113 Y1 58.5(14) .
O118 N113 Eu1 174(2) .
O117 N113 Eu1 53.1(16) .
O119 N113 Eu1 58.5(14) .
O118 N113 Tb1 173(2) .
O117 N113 Tb1 53.7(16) .
O119 N113 Tb1 58.0(14) .
P11 O12 C114 122.8(12) .
C117 O13 P11 121.1(18) .
P12 O14 Y1 144.6(9) .
P12 O14 Eu1 144.6(9) .
P12 O14 Tb1 145.4(9) .
C121 O15 P12 126.0(19) .
C124 O16 P12 120.9(14) .
P21 O21 Tb1 165.1(9) .
P21 O21 Eu1 164.3(9) .
P21 O21 Y1 164.3(9) .
C28 O22 P21 122.6(18) .
C211 O23 P21 121.4(14) .
N111 O111 Y1 97.8(13) .
N111 O111 Eu1 97.8(13) .
N111 O111 Tb1 96.8(13) .
N111 O113 Tb1 94.9(13) .
N111 O113 Eu1 94.3(13) .
N111 O113 Y1 94.3(13) .
N112 O114 Y1 95.4(12) .
N112 O114 Eu1 95.4(12) .
N112 O114 Tb1 96.4(12) .
N112 O116 Y1 93.3(12) .
N112 O116 Eu1 93.3(12) .
N112 O116 Tb1 92.8(12) .
N113 O117 Y1 103.2(17) .
N113 O117 Eu1 103.2(17) .
N113 O117 Tb1 102.7(17) .
N113 O119 Tb1 94.0(16) .
N113 O119 Eu1 93.3(16) .
N113 O119 Y1 93.3(16) .
O12 P11 O13 104.5(9) .
O12 P11 C113 107.8(9) .
O13 P11 C113 102.8(10) .
O12 P11 O11 92.8(8) .
O13 P11 O11 153.0(8) .
C113 P11 O11 91.0(9) .
O14 P12 O15 111.5(9) .
O14 P12 O16 116.2(10) .
O15 P12 O16 104.4(10) .
O14 P12 C120 110.4(9) .
O15 P12 C120 110.9(10) .
O16 P12 C120 103.0(9) .
O21 P21 O22 114.3(9) .
O21 P21 O23 115.3(9) .
O22 P21 O23 103.3(9) .
O21 P21 C27 114.8(11) .
O22 P21 C27 108.9(10) .
O23 P21 C27 98.6(10) .
C12 C11 C16 115(3) .
C12 C11 C113 122(2) .
C16 C11 C113 123(2) .
C11 C12 C13 127(3) .
C11 C12 H12 116.7 .
C13 C12 H12 116.7 .
C12 C13 C14 118(3) .
C12 C13 H13 121.2 .
C14 C13 H13 121.2 .
C15 C14 C13 116(2) .
C15 C14 C17 124(2) 4_565
C13 C14 C17 120(2) 4_565
C14 C15 C16 124(3) .
C14 C15 H15 118.0 .
C16 C15 H15 118.0 .
C15 C16 C11 121(3) .
C15 C16 H16 119.3 .
C11 C16 H16 119.3 .
C112 C17 C18 115(2) .
C112 C17 C14 121(2) 4_666
C18 C17 C14 124(2) 4_666
C19 C18 C17 125(2) .
C19 C18 H18 117.7 .
C17 C18 H18 117.8 .
C18 C19 C110 118(2) .
C18 C19 H19 120.9 .
C110 C19 H19 120.9 .
C111 C110 C19 120.3(19) .
C111 C110 C120 119(2) .
C19 C110 C120 120.3(19) .
C110 C111 C112 117(2) .
C110 C111 H111 121.4 .
C112 C111 H111 121.4 .
C17 C112 C111 124(2) .
C17 C112 H112 118.1 .
C111 C112 H112 118.0 .
C26 C21 C22 118.2(19) .
C26 C21 C27 121(2) .
C22 C21 C27 120(2) .
C23 C22 C21 119(2) .
C23 C22 H22 120.6 .
C21 C22 H22 120.6 .
C24 C23 C22 123(3) .
C24 C23 H23 118.3 .
C22 C23 H23 118.3 .
C23 C24 C25 118(2) .
C23 C24 C24 124(3) 3_676
C25 C24 C24 117(3) 3_676
C26 C25 C24 120(2) .
C26 C25 H25 119.8 .
C24 C25 H25 119.8 .
C21 C26 C25 121(2) .
C21 C26 H26 119.6 .
C25 C26 H26 119.6 .
C21 C27 P21 109.2(15) .
C21 C27 H27A 109.8 .
P21 C27 H27A 109.9 .
C21 C27 H27B 109.8 .
P21 C27 H27B 109.8 .
H27A C27 H27B 108.3 .
C29 C28 O22 107(3) .
C29 C28 C210 118(3) .
O22 C28 C210 108(2) .
C29 C28 H28 107.7 .
O22 C28 H28 107.7 .
C210 C28 H28 107.7 .
C28 C29 H29A 109.5 .
C28 C29 H29B 109.5 .
H29A C29 H29B 109.5 .
C28 C29 H29C 109.5 .
H29A C29 H29C 109.5 .
H29B C29 H29C 109.5 .
C11 C113 P11 118.5(17) .
C11 C113 H11A 107.7 .
P11 C113 H11A 107.7 .
C11 C113 H11B 107.7 .
P11 C113 H11B 107.7 .
H11A C113 H11B 107.1 .
C119 C117 O13 103(4) .
C119 C117 C118 106(3) .
O13 C117 C118 106(3) .
C119 C117 H117 113.4 .
O13 C117 H117 113.5 .
C118 C117 H117 113.5 .
C117 C118 H11I 109.5 .
C117 C118 H11J 109.5 .
H11I C118 H11J 109.5 .
C117 C118 H11K 109.5 .
H11I C118 H11K 109.5 .
H11J C118 H11K 109.5 .
C117 C119 H11L 109.5 .
C117 C119 H11M 109.4 .
H11L C119 H11M 109.5 .
C117 C119 H11N 109.5 .
H11L C119 H11N 109.5 .
H11M C119 H11N 109.5 .
C110 C120 P12 111.0(15) .
C110 C120 H12A 109.4 .
P12 C120 H12A 109.4 .
C110 C120 H12B 109.4 .
P12 C120 H12B 109.4 .
H12A C120 H12B 108.0 .
O15 C121 C122 112(3) .
O15 C121 C123 97(4) .
C122 C121 C123 103(3) .
O15 C121 H121 114.2 .
C122 C121 H121 114.1 .
C123 C121 H121 114.2 .
C121 C122 H12C 109.5 .
C121 C122 H12D 109.5 .
H12C C122 H12D 109.5 .
C121 C122 H12E 109.4 .
H12C C122 H12E 109.5 .
H12D C122 H12E 109.5 .
C121 C123 H12F 109.5 .
C121 C123 H12G 109.5 .
H12F C123 H12G 109.5 .
C121 C123 H12H 109.5 .
H12F C123 H12H 109.5 .
H12G C123 H12H 109.5 .
C125 C124 O16 105.7(19) .
C125 C124 C126 110(2) .
O16 C124 C126 108(2) .
C125 C124 H124 111.0 .
O16 C124 H124 111.0 .
C126 C124 H124 111.0 .
C124 C125 H12I 109.5 .
C124 C125 H12J 109.5 .
H12I C125 H12J 109.5 .
C124 C125 H12K 109.5 .
H12I C125 H12K 109.5 .
H12J C125 H12K 109.5 .
C124 C126 H12L 109.5 .
C124 C126 H12M 109.4 .
H12L C126 H12M 109.5 .
C124 C126 H12N 109.5 .
H12L C126 H12N 109.5 .
H12M C126 H12N 109.5 .
C28 C210 H21A 109.5 .
C28 C210 H21B 109.4 .
H21A C210 H21B 109.5 .
C28 C210 H21C 109.5 .
H21A C210 H21C 109.5 .
H21B C210 H21C 109.5 .
C212 C211 C213 112.7(19) .
C212 C211 O23 108(2) .
C213 C211 O23 103.5(18) .
C212 C211 H211 110.9 .
C213 C211 H211 110.9 .
O23 C211 H211 110.9 .
C211 C212 H21D 109.5 .
C211 C212 H21E 109.4 .
H21D C212 H21E 109.5 .
C211 C212 H21F 109.5 .
H21D C212 H21F 109.5 .
H21E C212 H21F 109.5 .
C211 C213 H21G 109.5 .
C211 C213 H21H 109.5 .
H21G C213 H21H 109.5 .
C211 C213 H21I 109.5 .
H21G C213 H21I 109.5 .
H21H C213 H21I 109.5 .
P11 O11 Tb1 112.9(7) .
P11 O11 Eu1 112.5(7) .
P11 O11 Y1 112.5(7) .
C115 C114 C116 118(2) .
C115 C114 O12 105.2(17) .
C116 C114 O12 95.5(17) .
C115 C114 H114 112.0 .
C116 C114 H114 112.1 .
O12 C114 H114 112.1 .
C114 C116 H11C 109.5 .
C114 C116 H11D 109.4 .
H11C C116 H11D 109.5 .
C114 C116 H11E 109.5 .
H11C C116 H11E 109.5 .
H11D C116 H11E 109.5 .
C114 C115 H11F 109.5 .
C114 C115 H11G 109.5 .
H11F C115 H11G 109.5 .
C114 C115 H11H 109.5 .
H11F C115 H11H 109.5 .
H11G C115 H11H 109.5 .
loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_site_symmetry_2
Tb1 O21 2.288(16) .
Tb1 O14 2.355(15) .
Tb1 O114 2.433(14) .
Tb1 O117 2.436(16) .
Tb1 O111 2.439(16) .
Tb1 O113 2.474(15) .
Tb1 O119 2.509(16) .
Tb1 O116 2.561(16) .
Tb1 O11 2.564(16) .
Tb1 N112 2.877(18) .
Tb1 N111 2.89(2) .
Tb1 N113 2.95(4) .
Eu1 O21 2.321(15) .
Eu1 O14 2.323(15) .
Eu1 O117 2.412(16) .
Eu1 O114 2.427(14) .
Eu1 O111 2.437(16) .
Eu1 O113 2.505(15) .
Eu1 O119 2.510(16) .
Eu1 O116 2.522(16) .
Eu1 O11 2.594(16) .
Eu1 N112 2.851(18) .
Eu1 N111 2.91(2) .
Eu1 N113 2.94(4) .
Y1 O21 2.321(15) .
Y1 O14 2.323(15) .
Y1 O117 2.412(16) .
Y1 O114 2.427(14) .
Y1 O111 2.437(16) .
Y1 O113 2.505(15) .
Y1 O119 2.510(16) .
Y1 O116 2.522(16) .
Y1 O11 2.594(16) .
Y1 N112 2.851(18) .
Y1 N111 2.91(2) .
Y1 N113 2.94(4) .
N111 O112 1.21(3) .
N111 O111 1.29(3) .
N111 O113 1.30(3) .
N112 O116 1.19(2) .
N112 O115 1.27(2) .
N112 O114 1.29(2) .
N113 O118 1.21(4) .
N113 O117 1.21(3) .
N113 O119 1.39(3) .
O12 P11 1.560(15) .
O12 C114 1.624(16) .
O13 C117 1.44(3) .
O13 P11 1.575(17) .
O14 P12 1.493(15) .
O15 C121 1.44(4) .
O15 P12 1.556(17) .
O16 C124 1.52(3) .
O16 P12 1.561(17) .
O21 P21 1.488(16) .
O22 C28 1.51(3) .
O22 P21 1.535(16) .
O23 C211 1.51(2) .
O23 P21 1.584(15) .
P11 C113 1.79(2) .
P11 O11 1.810(15) .
P12 C120 1.79(2) .
P21 C27 1.77(2) .
C11 C12 1.33(4) .
C11 C16 1.43(4) .
C11 C113 1.48(3) .
C12 C13 1.43(4) .
C12 H12 0.9500 .
C13 C14 1.45(4) .
C13 H13 0.9500 .
C14 C15 1.38(4) .
C14 C17 1.46(3) 4_565
C15 C16 1.39(4) .
C15 H15 0.9500 .
C16 H16 0.9500 .
C17 C112 1.34(3) .
C17 C18 1.39(3) .
C17 C14 1.46(3) 4_666
C18 C19 1.32(3) .
C18 H18 0.9500 .
C19 C110 1.38(3) .
C19 H19 0.9500 .
C110 C111 1.37(3) .
C110 C120 1.59(3) .
C111 C112 1.39(3) .
C111 H111 0.9500 .
C112 H112 0.9500 .
C21 C26 1.34(3) .
C21 C22 1.38(3) .
C21 C27 1.59(3) .
C22 C23 1.38(3) .
C22 H22 0.9500 .
C23 C24 1.28(3) .
C23 H23 0.9500 .
C24 C25 1.39(3) .
C24 C24 1.62(5) 3_676
C25 C26 1.36(3) .
C25 H25 0.9500 .
C26 H26 0.9500 .
C27 H27A 0.9900 .
C27 H27B 0.9900 .
C28 C29 1.37(5) .
C28 C210 1.53(4) .
C28 H28 1.0000 .
C29 H29A 0.9800 .
C29 H29B 0.9800 .
C29 H29C 0.9800 .
C113 H11A 0.9900 .
C113 H11B 0.9900 .
C117 C119 1.38(6) .
C117 C118 1.46(7) .
C117 H117 1.0000 .
C118 H11I 0.9800 .
C118 H11J 0.9800 .
C118 H11K 0.9800 .
C119 H11L 0.9800 .
C119 H11M 0.9800 .
C119 H11N 0.9800 .
C120 H12A 0.9900 .
C120 H12B 0.9900 .
C121 C122 1.44(5) .
C121 C123 1.71(7) .
C121 H121 1.0000 .
C122 H12C 0.9800 .
C122 H12D 0.9800 .
C122 H12E 0.9800 .
C123 H12F 0.9800 .
C123 H12G 0.9800 .
C123 H12H 0.9800 .
C124 C125 1.49(4) .
C124 C126 1.55(4) .
C124 H124 1.0000 .
C125 H12I 0.9800 .
C125 H12J 0.9800 .
C125 H12K 0.9800 .
C126 H12L 0.9800 .
C126 H12M 0.9800 .
C126 H12N 0.9800 .
C210 H21A 0.9800 .
C210 H21B 0.9800 .
C210 H21C 0.9800 .
C211 C212 1.48(3) .
C211 C213 1.50(4) .
C211 H211 1.0000 .
C212 H21D 0.9800 .
C212 H21E 0.9800 .
C212 H21F 0.9800 .
C213 H21G 0.9800 .
C213 H21H 0.9800 .
C213 H21I 0.9800 .
C114 C115 1.505(18) .
C114 C116 1.559(18) .
C114 H114 1.0000 .
C116 H11C 0.9800 .
C116 H11D 0.9800 .
C116 H11E 0.9800 .
C115 H11F 0.9800 .
C115 H11G 0.9800 .
C115 H11H 0.9800 .
