#------------------------------------------------------------------------------
#$Date: 2021-10-29 05:28:23 +0300 (Fri, 29 Oct 2021) $
#$Revision: 270149 $
#$URL: file:///home/coder/svn-repositories/cod/cif/7/24/37/7243792.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_7243792
loop_
_publ_author_name
'Nigoghossian, Karina'
'Kulakova, Alena N.'
'Félix, Gautier'
'Khrustalev, Victor N.'
'Shubina, Elena S.'
'Long, Jérôme'
'Guari, Yannick'
'Sene, Saad'
'Carlos, Luís D.'
'Bilyachenko, Alexey N.'
'Larionova, Joulia'
_publ_section_title
;
 Temperature sensing in Tb3+/Eu3+-based tetranuclear silsesquioxane cages
 with tunable emission
;
_journal_issue                   55
_journal_name_full               'RSC Advances'
_journal_page_first              34735
_journal_page_last               34741
_journal_paper_doi               10.1039/D1RA06755A
_journal_volume                  11
_journal_year                    2021
_chemical_formula_moiety
'C54 H61 Eu N4 O33 Si8 Tb3, C8 H20 N, 4(C2 H6 O)'
_chemical_formula_sum            'C70 H105 Eu N5 O37 Si8 Tb3'
_chemical_formula_weight         2462.07
_space_group_crystal_system      triclinic
_space_group_IT_number           2
_space_group_name_Hall           '-P 1'
_space_group_name_H-M_alt        'P -1'
_atom_sites_solution_hydrogens   mixed
_atom_sites_solution_primary     difmap
_atom_sites_solution_secondary   difmap
_audit_creation_method           SHELXL-2013
_audit_update_record
;
2021-07-05 deposited with the CCDC.	2021-10-18 downloaded from the CCDC.
;
_cell_angle_alpha                92.2809(5)
_cell_angle_beta                 116.6814(4)
_cell_angle_gamma                113.6368(4)
_cell_formula_units_Z            1
_cell_length_a                   13.9398(2)
_cell_length_b                   14.0767(2)
_cell_length_c                   14.8978(2)
_cell_measurement_reflns_used    9855
_cell_measurement_temperature    100(2)
_cell_measurement_theta_max      32.57
_cell_measurement_theta_min      2.57
_cell_volume                     2305.01(6)
_computing_cell_refinement       'SAINT (Bruker, 2013)'
_computing_data_collection       'APEX3 (Bruker, 2018)'
_computing_data_reduction        'SAINT (Bruker, 2013)'
_computing_molecular_graphics    'SHELXTL (Sheldrick, 2015)'
_computing_publication_material  'SHELXTL (Sheldrick, 2015)'
_computing_structure_refinement  'SHELXL (Sheldrick, 2015)'
_computing_structure_solution    'SHELXT (Sheldrick, 2015)'
_diffrn_ambient_temperature      100(2)
_diffrn_measured_fraction_theta_full 0.997
_diffrn_measured_fraction_theta_max 0.997
_diffrn_measurement_device_type  'Bruker D8 QUEST PHOTON-III CCD'
_diffrn_measurement_method       'φ and ω scans'
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_reflns_av_R_equivalents  0.0354
_diffrn_reflns_av_unetI/netI     0.0272
_diffrn_reflns_Laue_measured_fraction_full 0.997
_diffrn_reflns_Laue_measured_fraction_max 0.997
_diffrn_reflns_limit_h_max       21
_diffrn_reflns_limit_h_min       -21
_diffrn_reflns_limit_k_max       21
_diffrn_reflns_limit_k_min       -21
_diffrn_reflns_limit_l_max       22
_diffrn_reflns_limit_l_min       -22
_diffrn_reflns_number            80320
_diffrn_reflns_point_group_measured_fraction_full 0.997
_diffrn_reflns_point_group_measured_fraction_max 0.997
_diffrn_reflns_theta_full        25.242
_diffrn_reflns_theta_max         32.586
_diffrn_reflns_theta_min         2.571
_exptl_absorpt_coefficient_mu    3.135
_exptl_absorpt_correction_T_max  0.923
_exptl_absorpt_correction_T_min  0.854
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details
; 
 SADABS 2016/2: Krause, L., Herbst-Irmer, R., Sheldrick G.M. & Stalke D., 
 J. Appl. Cryst. 48 (2015) 3-10. 
;
_exptl_crystal_colour            colourless
_exptl_crystal_density_diffrn    1.774
_exptl_crystal_description       prism
_exptl_crystal_F_000             1226
_exptl_crystal_size_max          0.06
_exptl_crystal_size_mid          0.04
_exptl_crystal_size_min          0.02
_refine_diff_density_max         1.196
_refine_diff_density_min         -1.059
_refine_diff_density_rms         0.099
_refine_ls_extinction_coef       0.00039(4)
_refine_ls_extinction_expression Fc^*^=kFc[1+0.001xFc²λ³/sin(2θ)]^-1/4^
_refine_ls_extinction_method     SHELXL
_refine_ls_goodness_of_fit_ref   1.016
_refine_ls_hydrogen_treatment    mixed
_refine_ls_matrix_type           full
_refine_ls_number_parameters     642
_refine_ls_number_reflns         16754
_refine_ls_number_restraints     14
_refine_ls_restrained_S_all      1.066
_refine_ls_R_factor_all          0.0287
_refine_ls_R_factor_gt           0.0204
_refine_ls_shift/su_max          0.001
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'w=1/[σ²(Fo²)+(0.0176P)²+1.1179P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0419
_refine_ls_wR_factor_ref         0.0443
_reflns_Friedel_coverage         0.000
_reflns_number_gt                14285
_reflns_number_total             16754
_reflns_threshold_expression     'I > 2σ(I)'
_cod_data_source_file            d1ra06755a2.cif
_cod_data_source_block           1
_cod_database_code               7243792
_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   0.834
_shelx_estimated_absorpt_t_max   0.940
_shelxl_version_number           2013-4
loop_
_space_group_symop_operation_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_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
Eu1 Eu 0.1080(6) 0.6982(6) 0.5684(5) 0.00877(3) Uani 0.25 1 d . . P A 1
Tb1 Tb 0.10729(18) 0.69833(19) 0.56702(17) 0.00877(3) Uani 0.75 1 d . . P A 2
Eu2 Eu 0.1151(3) 0.5138(2) 0.4075(2) 0.0174(7) Uani 0.25 1 d . . P A 1
Tb2 Tb 0.11498(7) 0.51343(5) 0.40855(6) 0.00677(15) Uani 0.75 1 d . . P A 2
Si1 Si 0.19535(4) 0.60145(4) 0.78990(3) 0.00980(8) Uani 1 1 d . . . . .
Si2 Si 0.33556(4) 0.61483(4) 0.67826(3) 0.00979(8) Uani 1 1 d . . . . .
Si3 Si 0.19957(4) 0.36966(4) 0.59174(3) 0.00994(8) Uani 1 1 d . . . . .
Si4 Si 0.05909(4) 0.35520(4) 0.70661(3) 0.01004(8) Uani 1 1 d . . . . .
O1 O 0.31191(11) 0.63246(10) 0.77414(9) 0.0122(2) Uani 1 1 d . . . . .
O2 O 0.31352(11) 0.49095(10) 0.65229(9) 0.0129(2) Uani 1 1 d . . . . .
O3 O 0.14040(11) 0.33143(10) 0.66543(10) 0.0140(2) Uani 1 1 d . . . . .
O4 O 0.14009(11) 0.47419(10) 0.78849(9) 0.0127(2) Uani 1 1 d . . . . .
O5 O 0.09175(10) 0.61917(10) 0.69585(9) 0.0108(2) Uani 1 1 d . . . . .
O6 O 0.24019(10) 0.63316(10) 0.57759(9) 0.0108(2) Uani 1 1 d . . . . .
O7 O 0.10023(11) 0.37241(10) 0.48261(9) 0.0118(2) Uani 1 1 d . . . . .
O8 O -0.05886(10) 0.34965(10) 0.60670(9) 0.0113(2) Uani 1 1 d . . . . .
O9 O 0.30321(12) 0.84012(11) 0.71777(10) 0.0169(2) Uani 1 1 d . . . . .
O10 O 0.26623(12) 0.85637(11) 0.56308(10) 0.0161(2) Uani 1 1 d . . . . .
O11 O 0.43663(12) 0.97400(11) 0.69990(12) 0.0248(3) Uani 1 1 d . . . . .
O12 O 0.07128(15) 0.84717(13) 0.59838(14) 0.0316(4) Uani 1 1 d . . . . .
H12O H 0.056(2) 0.848(2) 0.650(2) 0.047 Uiso 1 1 d . U . . .
H12A H 0.0623 0.8946 0.5601 0.047 Uiso 0.5 1 d R U P B 1
O13 O 0.08783(12) 0.52027(12) 0.23277(10) 0.0188(3) Uani 1 1 d . . . . .
O14 O 0.12403(12) 0.39216(11) 0.29030(10) 0.0191(3) Uani 1 1 d . . . . .
O15 O 0.09663(15) 0.40731(15) 0.13605(12) 0.0323(4) Uani 1 1 d . . . . .
O16 O 0.31966(12) 0.59720(12) 0.44419(11) 0.0202(3) Uani 1 1 d . . . . .
H16O H 0.345(2) 0.668(2) 0.454(2) 0.030 Uiso 1 1 d . U . . .
O17 O 0.0000 0.5000 0.5000 0.0131(3) Uani 1 2 d S . P . .
H17O H -0.046(4) 0.500(4) 0.459(4) 0.020 Uiso 0.5 1 d . U P . .
N1 N 0.33910(14) 0.89335(12) 0.66244(12) 0.0150(3) Uani 1 1 d . . . . .
N2 N 0.10223(14) 0.43910(14) 0.21642(12) 0.0195(3) Uani 1 1 d . . . . .
C1 C 0.25393(15) 0.68323(14) 0.92059(12) 0.0135(3) Uani 1 1 d . . . . .
C2 C 0.19512(18) 0.64862(17) 0.97735(14) 0.0216(4) Uani 1 1 d . . . . .
H2 H 0.1260 0.5797 0.9501 0.026 Uiso 1 1 calc R U . . .
C3 C 0.2364(2) 0.7137(2) 1.07314(16) 0.0320(5) Uani 1 1 d . . . . .
H3 H 0.1954 0.6892 1.1107 0.038 Uiso 1 1 calc R U . . .
C4 C 0.3376(2) 0.8145(2) 1.11355(16) 0.0327(5) Uani 1 1 d . . . . .
H4 H 0.3654 0.8593 1.1785 0.039 Uiso 1 1 calc R U . . .
C5 C 0.39840(19) 0.84991(17) 1.05929(15) 0.0253(4) Uani 1 1 d . . . . .
H5 H 0.4682 0.9185 1.0875 0.030 Uiso 1 1 calc R U . . .
C6 C 0.35680(17) 0.78480(15) 0.96356(14) 0.0180(3) Uani 1 1 d . . . . .
H6 H 0.3987 0.8095 0.9268 0.022 Uiso 1 1 calc R U . . .
C7 C 0.50036(15) 0.70208(14) 0.72959(13) 0.0127(3) Uani 1 1 d . . . . .
C8 C 0.56105(17) 0.81007(16) 0.78477(15) 0.0203(4) Uani 1 1 d . . . . .
H8 H 0.5164 0.8421 0.7937 0.024 Uiso 1 1 calc R U . . .
C9 C 0.68607(18) 0.87174(17) 0.82705(17) 0.0252(4) Uani 1 1 d . . . . .
H9 H 0.7257 0.9454 0.8636 0.030 Uiso 1 1 calc R U . . .
C10 C 0.75240(17) 0.82574(17) 0.81590(16) 0.0240(4) Uani 1 1 d . . . . .
H10 H 0.8377 0.8675 0.8456 0.029 Uiso 1 1 calc R U . . .
C11 C 0.69420(17) 0.71847(18) 0.76125(17) 0.0240(4) Uani 1 1 d . . . . .
H11 H 0.7394 0.6867 0.7532 0.029 Uiso 1 1 calc R U . . .
C12 C 0.56963(16) 0.65802(16) 0.71845(15) 0.0185(3) Uani 1 1 d . . . . .
H12 H 0.5303 0.5849 0.6806 0.022 Uiso 1 1 calc R U . . .
C13 C 0.25723(15) 0.27572(14) 0.57663(13) 0.0128(3) Uani 1 1 d . . . . .
C14 C 0.25870(16) 0.24937(15) 0.48576(14) 0.0168(3) Uani 1 1 d . . . . .
H14 H 0.2285 0.2795 0.4301 0.020 Uiso 1 1 calc R U . . .
C15 C 0.30361(19) 0.17978(17) 0.47557(16) 0.0229(4) Uani 1 1 d . . . . .
H15 H 0.3036 0.1626 0.4133 0.027 Uiso 1 1 calc R U . . .
C16 C 0.3483(2) 0.1357(2) 0.55645(17) 0.0310(5) Uani 1 1 d . . . . .
H16 H 0.3795 0.0886 0.5499 0.037 Uiso 1 1 calc R U . . .
C17 C 0.3474(3) 0.1605(2) 0.64662(18) 0.0358(6) Uani 1 1 d . . . . .
H17 H 0.3782 0.1305 0.7022 0.043 Uiso 1 1 calc R U . . .
C18 C 0.3014(2) 0.22928(17) 0.65633(15) 0.0227(4) Uani 1 1 d . . . . .
H18 H 0.3002 0.2448 0.7183 0.027 Uiso 1 1 calc R U . . .
C19 C 0.02749(15) 0.25735(14) 0.78183(13) 0.0129(3) Uani 1 1 d . . . . .
C20 C 0.00220(19) 0.15137(16) 0.74889(16) 0.0218(4) Uani 1 1 d . . . . .
H20 H -0.0012 0.1292 0.6860 0.026 Uiso 1 1 calc R U . . .
C21 C -0.0181(2) 0.07786(17) 0.80609(17) 0.0264(4) Uani 1 1 d . . . . .
H21 H -0.0354 0.0061 0.7823 0.032 Uiso 1 1 calc R U . . .
C22 C -0.0129(2) 0.10992(17) 0.89842(16) 0.0245(4) Uani 1 1 d . . . . .
H22 H -0.0262 0.0602 0.9382 0.029 Uiso 1 1 calc R U . . .
C23 C 0.0116(2) 0.21425(18) 0.93220(16) 0.0295(5) Uani 1 1 d . . . . .
H23 H 0.0148 0.2361 0.9951 0.035 Uiso 1 1 calc R U . . .
C24 C 0.0314(2) 0.28710(16) 0.87445(15) 0.0224(4) Uani 1 1 d . . . . .
H24 H 0.0480 0.3585 0.8984 0.027 Uiso 1 1 calc R U . . .
C25 C 0.1134(5) 0.9534(4) 0.5913(5) 0.0389(12) Uani 0.5 1 d . . P A 2
H25A H 0.1514 0.9615 0.5478 0.047 Uiso 0.5 1 calc R U P A 2
H25B H 0.1773 1.0018 0.6619 0.047 Uiso 0.5 1 calc R U P A 2
C26 C 0.0182(5) 0.9890(5) 0.5464(6) 0.0569(19) Uani 0.5 1 d . . P A 2
H26A H 0.0549 1.0639 0.5444 0.085 Uiso 0.5 1 d R U P A 2
H26B H -0.0427 0.9428 0.4753 0.085 Uiso 0.5 1 d R U P A 2
H26C H -0.0208 0.9825 0.5882 0.085 Uiso 0.5 1 d R U P A 2
C27 C 0.40306(18) 0.56877(18) 0.43339(17) 0.0250(4) Uani 1 1 d . . . . .
H27A H 0.3774 0.4915 0.4300 0.030 Uiso 1 1 calc R U . . .
H27B H 0.4852 0.6109 0.4956 0.030 Uiso 1 1 calc R U . . .
C28 C 0.4088(2) 0.5896(2) 0.33757(18) 0.0293(5) Uani 1 1 d . . . . .
H28A H 0.4771 0.5826 0.3400 0.044 Uiso 1 1 calc R U . . .
H28B H 0.4204 0.6626 0.3346 0.044 Uiso 1 1 calc R U . . .
H28C H 0.3328 0.5373 0.2755 0.044 Uiso 1 1 calc R U . . .
O18 O 0.37644(14) 0.80318(13) 0.46000(11) 0.0243(3) Uani 1 1 d . . . . .
H18O H 0.351(2) 0.826(2) 0.492(2) 0.036 Uiso 1 1 d . U . . .
C29 C 0.3198(2) 0.8165(2) 0.35674(17) 0.0298(5) Uani 1 1 d . . . . .
H29A H 0.2334 0.7608 0.3174 0.036 Uiso 1 1 calc R U . . .
H29B H 0.3600 0.8052 0.3200 0.036 Uiso 1 1 calc R U . . .
C30 C 0.3264(2) 0.9253(2) 0.35741(19) 0.0318(5) Uani 1 1 d . . . . .
H30A H 0.2854 0.9296 0.2855 0.048 Uiso 1 1 calc R U . . .
H30B H 0.4117 0.9807 0.3938 0.048 Uiso 1 1 calc R U . . .
H30C H 0.2863 0.9369 0.3933 0.048 Uiso 1 1 calc R U . . .
O19 O 0.02039(17) 0.83506(15) 0.75244(14) 0.0367(4) Uani 1 1 d . . . . .
H19O H -0.023(3) 0.760(3) 0.746(2) 0.055 Uiso 1 1 d . U . . .
C31 C 0.1149(2) 0.8781(2) 0.8603(2) 0.0407(6) Uani 1 1 d . . . . .
H31A H 0.1400 0.8232 0.8851 0.049 Uiso 1 1 calc R U . . .
H31B H 0.0842 0.8972 0.9028 0.049 Uiso 1 1 calc R U . . .
C32 C 0.2215(3) 0.9758(2) 0.8727(2) 0.0464(7) Uani 1 1 d . . . . .
H32A H 0.2848 1.0061 0.9465 0.070 Uiso 1 1 calc R U . . .
H32B H 0.1961 1.0295 0.8469 0.070 Uiso 1 1 calc R U . . .
H32C H 0.2537 0.9561 0.8327 0.070 Uiso 1 1 calc R U . . .
N3 N 0.5000 0.5000 1.0000 0.0316(6) Uani 1 2 d DS . P . .
C33 C 0.5265(3) 0.5213(3) 1.10615(17) 0.0271(9) Uani 0.5 1 d D . P C -1
H33A H 0.6106 0.5802 1.1509 0.033 Uiso 0.5 1 calc R U P C -1
H33B H 0.5218 0.4562 1.1310 0.033 Uiso 0.5 1 calc R U P C -1
C34 C 0.4391(5) 0.5526(7) 1.1169(4) 0.0372(15) Uani 0.5 1 d D . P C -1
H34A H 0.4590 0.5646 1.1897 0.056 Uiso 0.5 1 calc R U P C -1
H34B H 0.3557 0.4946 1.0725 0.056 Uiso 0.5 1 calc R U P C -1
H34C H 0.4461 0.6188 1.0953 0.056 Uiso 0.5 1 calc R U P C -1
C35 C 0.5194(3) 0.6022(2) 0.9614(3) 0.0300(10) Uani 0.5 1 d D . P C -1
H35A H 0.5003 0.5826 0.8887 0.036 Uiso 0.5 1 calc R U P C -1
H35B H 0.4584 0.6227 0.9592 0.036 Uiso 0.5 1 calc R U P C -1
C36 C 0.6431(5) 0.7022(5) 1.0210(4) 0.044(2) Uani 0.5 1 d D . P C -1
H36A H 0.6386 0.7618 0.9905 0.067 Uiso 0.5 1 calc R U P C -1
H36B H 0.7039 0.6873 1.0164 0.067 Uiso 0.5 1 calc R U P C -1
H36C H 0.6664 0.7219 1.0943 0.067 Uiso 0.5 1 calc R U P C -1
C37 C 0.5993(3) 0.4750(3) 0.9994(3) 0.0313(10) Uani 0.5 1 d D . P C -1
H37A H 0.6791 0.5320 1.0561 0.038 Uiso 0.5 1 calc R U P C -1
H37B H 0.5882 0.4066 1.0191 0.038 Uiso 0.5 1 calc R U P C -1
C38 C 0.6091(6) 0.4651(7) 0.9019(4) 0.0433(19) Uani 0.5 1 d D . P C -1
H38A H 0.6707 0.4423 0.9140 0.065 Uiso 0.5 1 calc R U P C -1
H38B H 0.6324 0.5349 0.8860 0.065 Uiso 0.5 1 calc R U P C -1
H38C H 0.5304 0.4116 0.8431 0.065 Uiso 0.5 1 calc R U P C -1
C39 C 0.3810(2) 0.4129(2) 0.9218(2) 0.0319(10) Uani 0.5 1 d D . P C -1
H39A H 0.3763 0.4076 0.8533 0.038 Uiso 0.5 1 calc R U P C -1
H39B H 0.3178 0.4318 0.9164 0.038 Uiso 0.5 1 calc R U P C -1
C40 C 0.3522(6) 0.3033(4) 0.9435(5) 0.0413(18) Uani 0.5 1 d D . P C -1
H40A H 0.2660 0.2532 0.8958 0.062 Uiso 0.5 1 calc R U P C -1
H40B H 0.3699 0.3100 1.0157 0.062 Uiso 0.5 1 calc R U P C -1
H40C H 0.4021 0.2761 0.9331 0.062 Uiso 0.5 1 calc R U P C -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'
Eu Eu -0.1578 3.6682 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
N N 0.0061 0.0033 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
O O 0.0106 0.0060 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Si Si 0.0817 0.0704 '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'
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
O5 Eu1 O6 88.7(3) . . ?
O5 Eu1 O8 140.1(3) . 2_566 ?
O6 Eu1 O8 75.8(3) . 2_566 ?
O5 Eu1 O7 75.4(3) . 2_566 ?
O6 Eu1 O7 137.9(3) . 2_566 ?
O8 Eu1 O7 91.77(19) 2_566 2_566 ?
O5 Eu1 O12 101.1(4) . . ?
O6 Eu1 O12 150.2(3) . . ?
O8 Eu1 O12 110.7(3) 2_566 . ?
O7 Eu1 O12 71.9(3) 2_566 . ?
O5 Eu1 O10 135.2(2) . . ?
O6 Eu1 O10 79.0(3) . . ?
O8 Eu1 O10 78.2(3) 2_566 . ?
O7 Eu1 O10 138.4(4) 2_566 . ?
O12 Eu1 O10 74.3(2) . . ?
O5 Eu1 O17 70.1(2) . . ?
O6 Eu1 O17 68.9(3) . . ?
O8 Eu1 O17 70.0(2) 2_566 . ?
O7 Eu1 O17 69.00(16) 2_566 . ?
O12 Eu1 O17 140.9(3) . . ?
O10 Eu1 O17 139.1(4) . . ?
O5 Eu1 O9 83.6(2) . . ?
O6 Eu1 O9 79.3(2) . . ?
O8 Eu1 O9 127.5(4) 2_566 . ?
O7 Eu1 O9 135.1(4) 2_566 . ?
O12 Eu1 O9 74.0(2) . . ?
O10 Eu1 O9 51.92(12) . . ?
O17 Eu1 O9 138.5(4) . . ?
O5 Tb1 O6 88.21(10) . . ?
O5 Tb1 O8 140.06(12) . 2_566 ?
O6 Tb1 O8 75.99(10) . 2_566 ?
O5 Tb1 O7 75.13(9) . 2_566 ?
O6 Tb1 O7 137.85(11) . 2_566 ?
O8 Tb1 O7 92.28(7) 2_566 2_566 ?
O5 Tb1 O12 100.68(13) . . ?
O6 Tb1 O12 150.04(10) . . ?
O8 Tb1 O12 111.33(12) 2_566 . ?
O7 Tb1 O12 71.99(10) 2_566 . ?
O5 Tb1 O10 134.55(9) . . ?
O6 Tb1 O10 78.97(9) . . ?
O8 Tb1 O10 78.63(10) 2_566 . ?
O7 Tb1 O10 138.99(13) 2_566 . ?
O12 Tb1 O10 74.43(9) . . ?
O5 Tb1 O17 69.81(8) . . ?
O6 Tb1 O17 68.87(9) . . ?
O8 Tb1 O17 70.28(7) 2_566 . ?
O7 Tb1 O17 69.06(6) 2_566 . ?
O12 Tb1 O17 141.05(12) . . ?
O10 Tb1 O17 139.44(14) . . ?
O5 Tb1 O9 83.02(8) . . ?
O6 Tb1 O9 78.97(8) . . ?
O8 Tb1 O9 127.79(12) 2_566 . ?
O7 Tb1 O9 134.75(14) 2_566 . ?
O12 Tb1 O9 73.88(8) . . ?
O10 Tb1 O9 51.85(6) . . ?
O17 Tb1 O9 137.84(12) . . ?
O7 Eu2 O8 139.57(13) . 2_566 ?
O7 Eu2 O6 88.47(10) . . ?
O8 Eu2 O6 75.47(9) 2_566 . ?
O7 Eu2 O5 75.08(9) . 2_566 ?
O8 Eu2 O5 90.93(10) 2_566 2_566 ?
O6 Eu2 O5 135.87(12) . 2_566 ?
O7 Eu2 O16 104.08(12) . . ?
O8 Eu2 O16 105.55(11) 2_566 . ?
O6 Eu2 O16 71.84(9) . . ?
O5 Eu2 O16 151.49(13) 2_566 . ?
O7 Eu2 O13 128.94(12) . . ?
O8 Eu2 O13 84.07(10) 2_566 . ?
O6 Eu2 O13 136.95(13) . . ?
O5 Eu2 O13 80.84(10) 2_566 . ?
O16 Eu2 O13 78.01(9) . . ?
O7 Eu2 O14 78.91(9) . . ?
O8 Eu2 O14 135.74(13) 2_566 . ?
O6 Eu2 O14 139.39(13) . . ?
O5 Eu2 O14 77.84(9) 2_566 . ?
O16 Eu2 O14 74.12(9) . . ?
O13 Eu2 O14 52.07(7) . . ?
O7 Eu2 O17 69.55(8) . . ?
O8 Eu2 O17 70.04(8) 2_566 . ?
O6 Eu2 O17 67.65(7) . . ?
O5 Eu2 O17 68.24(8) 2_566 . ?
O16 Eu2 O17 139.05(12) . . ?
O13 Eu2 O17 138.56(12) . . ?
O14 Eu2 O17 138.22(12) . . ?
O7 Tb2 O8 140.21(5) . 2_566 ?
O7 Tb2 O6 88.99(5) . . ?
O8 Tb2 O6 75.58(4) 2_566 . ?
O7 Tb2 O5 75.33(5) . 2_566 ?
O8 Tb2 O5 90.89(5) 2_566 2_566 ?
O6 Tb2 O5 136.49(5) . 2_566 ?
O7 Tb2 O16 104.26(5) . . ?
O8 Tb2 O16 105.24(5) 2_566 . ?
O6 Tb2 O16 71.88(5) . . ?
O5 Tb2 O16 150.98(5) 2_566 . ?
O7 Tb2 O14 78.97(5) . . ?
O8 Tb2 O14 135.05(5) 2_566 . ?
O6 Tb2 O14 139.41(5) . . ?
O5 Tb2 O14 77.69(5) 2_566 . ?
O16 Tb2 O14 73.85(5) . . ?
O7 Tb2 O13 128.74(5) . . ?
O8 Tb2 O13 83.64(5) 2_566 . ?
O6 Tb2 O13 136.51(5) . . ?
O5 Tb2 O13 80.53(5) 2_566 . ?
O16 Tb2 O13 77.56(5) . . ?
O14 Tb2 O13 51.79(5) . . ?
O7 Tb2 O17 69.99(3) . . ?
O8 Tb2 O17 70.23(3) 2_566 . ?
O6 Tb2 O17 68.02(3) . . ?
O5 Tb2 O17 68.49(3) 2_566 . ?
O16 Tb2 O17 139.49(5) . . ?
O14 Tb2 O17 138.53(4) . . ?
O13 Tb2 O17 138.39(4) . . ?
O5 Si1 O1 110.44(6) . . ?
O5 Si1 O4 109.05(7) . . ?
O1 Si1 O4 107.61(7) . . ?
O5 Si1 C1 113.96(7) . . ?
O1 Si1 C1 106.89(7) . . ?
O4 Si1 C1 108.67(7) . . ?
O6 Si2 O1 108.66(6) . . ?
O6 Si2 O2 109.81(6) . . ?
O1 Si2 O2 108.28(7) . . ?
O6 Si2 C7 117.81(7) . . ?
O1 Si2 C7 106.53(7) . . ?
O2 Si2 C7 105.38(7) . . ?
O7 Si3 O2 108.81(7) . . ?
O7 Si3 O3 110.11(7) . . ?
O2 Si3 O3 108.21(7) . . ?
O7 Si3 C13 113.38(7) . . ?
O2 Si3 C13 109.18(7) . . ?
O3 Si3 C13 107.03(7) . . ?
O8 Si4 O4 110.11(6) . . ?
O8 Si4 O3 108.17(6) . . ?
O4 Si4 O3 109.51(7) . . ?
O8 Si4 C19 115.81(7) . . ?
O4 Si4 C19 106.44(7) . . ?
O3 Si4 C19 106.65(7) . . ?
Si1 O1 Si2 137.44(8) . . ?
Si3 O2 Si2 138.37(8) . . ?
Si3 O3 Si4 140.80(8) . . ?
Si4 O4 Si1 140.16(8) . . ?
Si1 O5 Eu1 127.0(2) . . ?
Si1 O5 Tb1 127.15(9) . . ?
Si1 O5 Tb2 124.49(7) . 2_566 ?
Tb1 O5 Tb2 97.08(6) . 2_566 ?
Si1 O5 Eu2 124.21(9) . 2_566 ?
Eu1 O5 Eu2 97.71(15) . 2_566 ?
Si2 O6 Eu1 128.0(2) . . ?
Si2 O6 Tb1 128.44(9) . . ?
Si2 O6 Tb2 125.11(7) . . ?
Tb1 O6 Tb2 96.92(6) . . ?
Si2 O6 Eu2 125.26(9) . . ?
Eu1 O6 Eu2 97.31(17) . . ?
Si3 O7 Tb2 128.18(7) . . ?
Si3 O7 Eu2 128.28(10) . . ?
Si3 O7 Tb1 122.11(9) . 2_566 ?
Tb2 O7 Tb1 97.64(8) . 2_566 ?
Si3 O7 Eu1 122.6(2) . 2_566 ?
Eu2 O7 Eu1 97.4(2) . 2_566 ?
Si4 O8 Eu2 124.35(10) . 2_566 ?
Si4 O8 Tb2 124.54(7) . 2_566 ?
Si4 O8 Tb1 124.20(9) . 2_566 ?
Tb2 O8 Tb1 96.91(8) 2_566 2_566 ?
Si4 O8 Eu1 124.4(2) . 2_566 ?
Eu2 O8 Eu1 97.1(2) 2_566 2_566 ?
N1 O9 Eu1 95.7(2) . . ?
N1 O9 Tb1 95.33(11) . . ?
N1 O10 Tb1 96.86(11) . . ?
N1 O10 Eu1 96.44(19) . . ?
C25 O12 Tb1 136.0(3) . . ?
C25 O12 H12O 105.5(19) . . ?
Tb1 O12 H12O 112.2(18) . . ?
Eu1 O12 H12O 111.8(19) . . ?
Eu1 O12 H12A 129.1 . . ?
H12O O12 H12A 118.7 . . ?
N2 O13 Eu2 96.37(12) . . ?
N2 O13 Tb2 96.32(10) . . ?
N2 O14 Eu2 95.51(12) . . ?
N2 O14 Tb2 95.83(10) . . ?
C27 O16 Eu2 139.40(14) . . ?
C27 O16 Tb2 139.43(13) . . ?
C27 O16 H16O 110.7(17) . . ?
Eu2 O16 H16O 108.1(17) . . ?
Tb2 O16 H16O 108.2(17) . . ?
Eu1 O17 Eu1 180.0 . 2_566 ?
Tb1 O17 Tb1 180.0 2_566 . ?
Tb1 O17 Tb2 89.98(7) 2_566 . ?
Tb1 O17 Tb2 90.02(7) . . ?
Tb1 O17 Tb2 90.02(7) 2_566 2_566 ?
Tb1 O17 Tb2 89.98(7) . 2_566 ?
Tb2 O17 Tb2 180.00(2) . 2_566 ?
Eu1 O17 Eu2 90.2(2) . . ?
Eu1 O17 Eu2 89.8(2) 2_566 . ?
Eu1 O17 Eu2 89.8(2) . 2_566 ?
Eu1 O17 Eu2 90.2(2) 2_566 2_566 ?
Eu2 O17 Eu2 180.00(13) . 2_566 ?
Eu1 O17 H17O 94(5) . . ?
Eu1 O17 H17O 86(5) 2_566 . ?
Tb1 O17 H17O 87(5) 2_566 . ?
Tb1 O17 H17O 93(5) . . ?
Tb2 O17 H17O 94(5) . . ?
Tb2 O17 H17O 86(5) 2_566 . ?
Eu2 O17 H17O 93(5) . . ?
Eu2 O17 H17O 87(5) 2_566 . ?
O11 N1 O9 122.68(16) . . ?
O11 N1 O10 121.36(16) . . ?
O9 N1 O10 115.95(14) . . ?
O15 N2 O13 122.37(18) . . ?
O15 N2 O14 121.58(17) . . ?
O13 N2 O14 116.05(14) . . ?
C2 C1 C6 118.10(16) . . ?
C2 C1 Si1 121.67(14) . . ?
C6 C1 Si1 120.18(13) . . ?
C3 C2 C1 121.06(19) . . ?
C3 C2 H2 119.5 . . ?
C1 C2 H2 119.5 . . ?
C4 C3 C2 119.8(2) . . ?
C4 C3 H3 120.1 . . ?
C2 C3 H3 120.1 . . ?
C5 C4 C3 120.17(19) . . ?
C5 C4 H4 119.9 . . ?
C3 C4 H4 119.9 . . ?
C4 C5 C6 119.87(19) . . ?
C4 C5 H5 120.1 . . ?
C6 C5 H5 120.1 . . ?
C5 C6 C1 121.01(18) . . ?
C5 C6 H6 119.5 . . ?
C1 C6 H6 119.5 . . ?
C8 C7 C12 117.55(16) . . ?
C8 C7 Si2 122.59(13) . . ?
C12 C7 Si2 119.76(13) . . ?
C9 C8 C7 121.13(18) . . ?
C9 C8 H8 119.4 . . ?
C7 C8 H8 119.4 . . ?
C10 C9 C8 120.05(19) . . ?
C10 C9 H9 120.0 . . ?
C8 C9 H9 120.0 . . ?
C9 C10 C11 119.96(18) . . ?
C9 C10 H10 120.0 . . ?
C11 C10 H10 120.0 . . ?
C12 C11 C10 119.62(18) . . ?
C12 C11 H11 120.2 . . ?
C10 C11 H11 120.2 . . ?
C11 C12 C7 121.67(18) . . ?
C11 C12 H12 119.2 . . ?
C7 C12 H12 119.2 . . ?
C18 C13 C14 117.75(16) . . ?
C18 C13 Si3 120.71(13) . . ?
C14 C13 Si3 121.54(13) . . ?
C15 C14 C13 121.18(17) . . ?
C15 C14 H14 119.4 . . ?
C13 C14 H14 119.4 . . ?
C16 C15 C14 119.91(18) . . ?
C16 C15 H15 120.0 . . ?
C14 C15 H15 120.0 . . ?
C17 C16 C15 119.77(18) . . ?
C17 C16 H16 120.1 . . ?
C15 C16 H16 120.1 . . ?
C16 C17 C18 120.3(2) . . ?
C16 C17 H17 119.9 . . ?
C18 C17 H17 119.9 . . ?
C17 C18 C13 121.13(18) . . ?
C17 C18 H18 119.4 . . ?
C13 C18 H18 119.4 . . ?
C24 C19 C20 117.74(17) . . ?
C24 C19 Si4 121.52(14) . . ?
C20 C19 Si4 120.71(13) . . ?
C21 C20 C19 121.44(18) . . ?
C21 C20 H20 119.3 . . ?
C19 C20 H20 119.3 . . ?
C20 C21 C22 119.58(19) . . ?
C20 C21 H21 120.2 . . ?
C22 C21 H21 120.2 . . ?
C23 C22 C21 119.90(18) . . ?
C23 C22 H22 120.0 . . ?
C21 C22 H22 120.0 . . ?
C22 C23 C24 120.14(19) . . ?
C22 C23 H23 119.9 . . ?
C24 C23 H23 119.9 . . ?
C23 C24 C19 121.20(19) . . ?
C23 C24 H24 119.4 . . ?
C19 C24 H24 119.4 . . ?
O12 C25 C26 114.8(4) . . ?
O12 C25 H25A 108.6 . . ?
C26 C25 H25A 108.6 . . ?
O12 C25 H25B 108.6 . . ?
C26 C25 H25B 108.6 . . ?
H25A C25 H25B 107.5 . . ?
C25 C26 H26A 109.7 . . ?
C25 C26 H26B 108.0 . . ?
H26A C26 H26B 109.5 . . ?
C25 C26 H26C 110.6 . . ?
H26A C26 H26C 109.5 . . ?
H26B C26 H26C 109.5 . . ?
O16 C27 C28 112.10(18) . . ?
O16 C27 H27A 109.2 . . ?
C28 C27 H27A 109.2 . . ?
O16 C27 H27B 109.2 . . ?
C28 C27 H27B 109.2 . . ?
H27A C27 H27B 107.9 . . ?
C27 C28 H28A 109.5 . . ?
C27 C28 H28B 109.5 . . ?
H28A C28 H28B 109.5 . . ?
C27 C28 H28C 109.5 . . ?
H28A C28 H28C 109.5 . . ?
H28B C28 H28C 109.5 . . ?
C29 O18 H18O 106.2(19) . . ?
O18 C29 C30 112.86(19) . . ?
O18 C29 H29A 109.0 . . ?
C30 C29 H29A 109.0 . . ?
O18 C29 H29B 109.0 . . ?
C30 C29 H29B 109.0 . . ?
H29A C29 H29B 107.8 . . ?
C29 C30 H30A 109.5 . . ?
C29 C30 H30B 109.5 . . ?
H30A C30 H30B 109.5 . . ?
C29 C30 H30C 109.5 . . ?
H30A C30 H30C 109.5 . . ?
H30B C30 H30C 109.5 . . ?
C31 O19 H19O 103.4(19) . . ?
O19 C31 C32 109.8(2) . . ?
O19 C31 H31A 109.7 . . ?
C32 C31 H31A 109.7 . . ?
O19 C31 H31B 109.7 . . ?
C32 C31 H31B 109.7 . . ?
H31A C31 H31B 108.2 . . ?
C31 C32 H32A 109.5 . . ?
C31 C32 H32B 109.5 . . ?
H32A C32 H32B 109.5 . . ?
C31 C32 H32C 109.5 . . ?
H32A C32 H32C 109.5 . . ?
H32B C32 H32C 109.5 . . ?
C33 N3 C39 117.78(18) . . ?
C33 N3 C35 111.28(17) . . ?
C39 N3 C35 108.17(15) . . ?
C33 N3 C37 107.59(15) . . ?
C39 N3 C37 108.05(17) . . ?
C35 N3 C37 102.89(16) . . ?
N3 C33 C34 112.1(3) . . ?
N3 C33 H33A 109.2 . . ?
C34 C33 H33A 109.2 . . ?
N3 C33 H33B 109.2 . . ?
C34 C33 H33B 109.2 . . ?
H33A C33 H33B 107.9 . . ?
C33 C34 H34A 109.5 . . ?
C33 C34 H34B 109.5 . . ?
H34A C34 H34B 109.5 . . ?
C33 C34 H34C 109.5 . . ?
H34A C34 H34C 109.5 . . ?
H34B C34 H34C 109.5 . . ?
C36 C35 N3 119.5(4) . . ?
C36 C35 H35A 107.5 . . ?
N3 C35 H35A 107.5 . . ?
C36 C35 H35B 107.5 . . ?
N3 C35 H35B 107.5 . . ?
H35A C35 H35B 107.0 . . ?
C35 C36 H36A 109.5 . . ?
C35 C36 H36B 109.5 . . ?
H36A C36 H36B 109.5 . . ?
C35 C36 H36C 109.5 . . ?
H36A C36 H36C 109.5 . . ?
H36B C36 H36C 109.5 . . ?
C38 C37 N3 121.1(3) . . ?
C38 C37 H37A 107.1 . . ?
N3 C37 H37A 107.1 . . ?
C38 C37 H37B 107.1 . . ?
N3 C37 H37B 107.1 . . ?
H37A C37 H37B 106.8 . . ?
C37 C38 H38A 109.5 . . ?
C37 C38 H38B 109.5 . . ?
H38A C38 H38B 109.5 . . ?
C37 C38 H38C 109.5 . . ?
H38A C38 H38C 109.5 . . ?
H38B C38 H38C 109.5 . . ?
N3 C39 C40 114.9(3) . . ?
N3 C39 H39A 108.6 . . ?
C40 C39 H39A 108.6 . . ?
N3 C39 H39B 108.6 . . ?
C40 C39 H39B 108.6 . . ?
H39A C39 H39B 107.5 . . ?
C39 C40 H40A 109.5 . . ?
C39 C40 H40B 109.5 . . ?
H40A C40 H40B 109.5 . . ?
C39 C40 H40C 109.5 . . ?
H40A C40 H40C 109.5 . . ?
H40B C40 H40C 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 O5 2.291(9) . ?
Eu1 O6 2.322(10) . ?
Eu1 O8 2.369(8) 2_566 ?
Eu1 O7 2.374(8) 2_566 ?
Eu1 O12 2.419(10) . ?
Eu1 O10 2.462(8) . ?
Eu1 O17 2.473(7) . ?
Eu1 O9 2.489(5) . ?
Eu1 Eu2 3.514(8) 2_566 ?
Tb1 O5 2.307(3) . ?
Tb1 O6 2.326(3) . ?
Tb1 O8 2.353(3) 2_566 ?
Tb1 O7 2.370(3) 2_566 ?
Tb1 O12 2.416(3) . ?
Tb1 O10 2.457(3) . ?
Tb1 O17 2.473(2) . ?
Tb1 O9 2.500(2) . ?
Tb1 Tb2 3.509(3) 2_566 ?
Tb1 Tb2 3.510(3) . ?
Eu2 O7 2.304(3) . ?
Eu2 O8 2.334(3) 2_566 ?
Eu2 O6 2.372(3) . ?
Eu2 O5 2.376(3) 2_566 ?
Eu2 O16 2.382(3) . ?
Eu2 O13 2.467(3) . ?
Eu2 O14 2.475(3) . ?
Eu2 O17 2.504(3) . ?
Eu2 Eu1 3.514(8) 2_566 ?
Tb2 O7 2.2915(14) . ?
Tb2 O8 2.3372(14) 2_566 ?
Tb2 O6 2.3633(14) . ?
Tb2 O5 2.3745(14) 2_566 ?
Tb2 O16 2.3885(15) . ?
Tb2 O14 2.4832(14) . ?
Tb2 O13 2.4838(15) . ?
Tb2 O17 2.4899(7) . ?
Tb2 Tb1 3.509(3) 2_566 ?
Si1 O5 1.6157(12) . ?
Si1 O1 1.6335(13) . ?
Si1 O4 1.6367(13) . ?
Si1 C1 1.8501(17) . ?
Si2 O6 1.6120(12) . ?
Si2 O1 1.6341(13) . ?
Si2 O2 1.6416(13) . ?
Si2 C7 1.8591(17) . ?
Si3 O7 1.6089(12) . ?
Si3 O2 1.6333(13) . ?
Si3 O3 1.6369(13) . ?
Si3 C13 1.8537(17) . ?
Si4 O8 1.6170(12) . ?
Si4 O4 1.6285(13) . ?
Si4 O3 1.6388(13) . ?
Si4 C19 1.8512(17) . ?
O9 N1 1.269(2) . ?
O10 N1 1.2877(19) . ?
O11 N1 1.216(2) . ?
O12 C25 1.399(5) . ?
O12 H12O 0.89(3) . ?
O12 H12A 0.9056 . ?
O13 N2 1.269(2) . ?
O14 N2 1.288(2) . ?
O15 N2 1.219(2) . ?
O16 C27 1.440(2) . ?
O16 H16O 0.89(3) . ?
O17 H17O 0.65(4) . ?
C1 C2 1.400(3) . ?
C1 C6 1.403(3) . ?
C2 C3 1.394(3) . ?
C2 H2 0.9500 . ?
C3 C4 1.390(3) . ?
C3 H3 0.9500 . ?
C4 C5 1.389(3) . ?
C4 H4 0.9500 . ?
C5 C6 1.392(3) . ?
C5 H5 0.9500 . ?
C6 H6 0.9500 . ?
C7 C8 1.395(3) . ?
C7 C12 1.400(2) . ?
C8 C9 1.395(3) . ?
C8 H8 0.9500 . ?
C9 C10 1.383(3) . ?
C9 H9 0.9500 . ?
C10 C11 1.388(3) . ?
C10 H10 0.9500 . ?
C11 C12 1.387(3) . ?
C11 H11 0.9500 . ?
C12 H12 0.9500 . ?
C13 C18 1.394(2) . ?
C13 C14 1.401(2) . ?
C14 C15 1.393(3) . ?
C14 H14 0.9500 . ?
C15 C16 1.386(3) . ?
C15 H15 0.9500 . ?
C16 C17 1.382(3) . ?
C16 H16 0.9500 . ?
C17 C18 1.392(3) . ?
C17 H17 0.9500 . ?
C18 H18 0.9500 . ?
C19 C24 1.397(2) . ?
C19 C20 1.398(3) . ?
C20 C21 1.389(3) . ?
C20 H20 0.9500 . ?
C21 C22 1.392(3) . ?
C21 H21 0.9500 . ?
C22 C23 1.383(3) . ?
C22 H22 0.9500 . ?
C23 C24 1.387(3) . ?
C23 H23 0.9500 . ?
C24 H24 0.9500 . ?
C25 C26 1.490(7) . ?
C25 H25A 0.9900 . ?
C25 H25B 0.9900 . ?
C26 H26A 0.9798 . ?
C26 H26B 0.9802 . ?
C26 H26C 0.9801 . ?
C27 C28 1.499(3) . ?
C27 H27A 0.9900 . ?
C27 H27B 0.9900 . ?
C28 H28A 0.9800 . ?
C28 H28B 0.9800 . ?
C28 H28C 0.9800 . ?
O18 C29 1.441(3) . ?
O18 H18O 0.84(3) . ?
C29 C30 1.497(3) . ?
C29 H29A 0.9900 . ?
C29 H29B 0.9900 . ?
C30 H30A 0.9800 . ?
C30 H30B 0.9800 . ?
C30 H30C 0.9800 . ?
O19 C31 1.437(3) . ?
O19 H19O 0.96(3) . ?
C31 C32 1.493(4) . ?
C31 H31A 0.9900 . ?
C31 H31B 0.9900 . ?
C32 H32A 0.9800 . ?
C32 H32B 0.9800 . ?
C32 H32C 0.9800 . ?
N3 C33 1.4408(19) . ?
N3 C39 1.460(2) . ?
N3 C35 1.538(2) . ?
N3 C37 1.563(2) . ?
C33 C34 1.519(3) . ?
C33 H33A 0.9900 . ?
C33 H33B 0.9900 . ?
C34 H34A 0.9800 . ?
C34 H34B 0.9800 . ?
C34 H34C 0.9800 . ?
C35 C36 1.524(3) . ?
C35 H35A 0.9900 . ?
C35 H35B 0.9900 . ?
C36 H36A 0.9800 . ?
C36 H36B 0.9800 . ?
C36 H36C 0.9800 . ?
C37 C38 1.525(3) . ?
C37 H37A 0.9900 . ?
C37 H37B 0.9900 . ?
C38 H38A 0.9800 . ?
C38 H38B 0.9800 . ?
C38 H38C 0.9800 . ?
C39 C40 1.519(3) . ?
C39 H39A 0.9900 . ?
C39 H39B 0.9900 . ?
C40 H40A 0.9800 . ?
C40 H40B 0.9800 . ?
C40 H40C 0.9800 . ?
loop_
_geom_hbond_atom_site_label_D
_geom_hbond_atom_site_label_H
_geom_hbond_atom_site_label_A
_geom_hbond_distance_DH
_geom_hbond_distance_HA
_geom_hbond_distance_DA
_geom_hbond_angle_DHA
_geom_hbond_site_symmetry_A
O12 H12O O19 0.89(3) 1.79(3) 2.683(3) 175(3) .
O16 H16O O18 0.89(3) 1.77(3) 2.651(2) 172(3) .
O18 H18O O10 0.84(3) 2.04(3) 2.869(2) 171(3) .
O19 H19O O14 0.96(3) 1.91(3) 2.866(2) 171(3) 2_566
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_2
_geom_torsion_site_symmetry_3
_geom_torsion_site_symmetry_4
_geom_torsion_publ_flag
O5 Si1 O1 Si2 -41.80(14) . . . . ?
O4 Si1 O1 Si2 77.13(13) . . . . ?
C1 Si1 O1 Si2 -166.29(12) . . . . ?
O6 Si2 O1 Si1 41.25(14) . . . . ?
O2 Si2 O1 Si1 -77.98(13) . . . . ?
C7 Si2 O1 Si1 169.11(12) . . . . ?
O7 Si3 O2 Si2 44.23(14) . . . . ?
O3 Si3 O2 Si2 -75.39(13) . . . . ?
C13 Si3 O2 Si2 168.45(12) . . . . ?
O6 Si2 O2 Si3 -40.87(14) . . . . ?
O1 Si2 O2 Si3 77.63(13) . . . . ?
C7 Si2 O2 Si3 -168.70(12) . . . . ?
O7 Si3 O3 Si4 -47.06(15) . . . . ?
O2 Si3 O3 Si4 71.75(14) . . . . ?
C13 Si3 O3 Si4 -170.71(13) . . . . ?
O8 Si4 O3 Si3 49.81(15) . . . . ?
O4 Si4 O3 Si3 -70.20(14) . . . . ?
C19 Si4 O3 Si3 175.01(13) . . . . ?
O8 Si4 O4 Si1 -46.17(15) . . . . ?
O3 Si4 O4 Si1 72.65(14) . . . . ?
C19 Si4 O4 Si1 -172.43(12) . . . . ?
O5 Si1 O4 Si4 44.22(14) . . . . ?
O1 Si1 O4 Si4 -75.60(14) . . . . ?
C1 Si1 O4 Si4 168.98(12) . . . . ?
O1 Si1 O5 Eu1 -8.2(3) . . . . ?
O4 Si1 O5 Eu1 -126.3(3) . . . . ?
C1 Si1 O5 Eu1 112.1(3) . . . . ?
O1 Si1 O5 Tb1 -8.04(13) . . . . ?
O4 Si1 O5 Tb1 -126.10(11) . . . . ?
C1 Si1 O5 Tb1 112.29(12) . . . . ?
O1 Si1 O5 Tb2 127.04(8) . . . 2_566 ?
O4 Si1 O5 Tb2 8.98(10) . . . 2_566 ?
C1 Si1 O5 Tb2 -112.63(9) . . . 2_566 ?
O1 Si1 O5 Eu2 127.39(10) . . . 2_566 ?
O4 Si1 O5 Eu2 9.34(12) . . . 2_566 ?
C1 Si1 O5 Eu2 -112.27(12) . . . 2_566 ?
O1 Si2 O6 Eu1 8.5(2) . . . . ?
O2 Si2 O6 Eu1 126.8(2) . . . . ?
C7 Si2 O6 Eu1 -112.6(2) . . . . ?
O1 Si2 O6 Tb1 8.59(12) . . . . ?
O2 Si2 O6 Tb1 126.86(11) . . . . ?
C7 Si2 O6 Tb1 -112.58(11) . . . . ?
O1 Si2 O6 Tb2 -129.68(8) . . . . ?
O2 Si2 O6 Tb2 -11.41(10) . . . . ?
C7 Si2 O6 Tb2 109.16(9) . . . . ?
O1 Si2 O6 Eu2 -130.05(11) . . . . ?
O2 Si2 O6 Eu2 -11.79(13) . . . . ?
C7 Si2 O6 Eu2 108.78(12) . . . . ?
O2 Si3 O7 Tb2 6.15(10) . . . . ?
O3 Si3 O7 Tb2 124.59(8) . . . . ?
C13 Si3 O7 Tb2 -115.54(9) . . . . ?
O2 Si3 O7 Eu2 6.48(13) . . . . ?
O3 Si3 O7 Eu2 124.93(12) . . . . ?
C13 Si3 O7 Eu2 -115.20(12) . . . . ?
O2 Si3 O7 Tb1 -127.73(11) . . . 2_566 ?
O3 Si3 O7 Tb1 -9.29(12) . . . 2_566 ?
C13 Si3 O7 Tb1 110.59(12) . . . 2_566 ?
O2 Si3 O7 Eu1 -127.8(3) . . . 2_566 ?
O3 Si3 O7 Eu1 -9.3(3) . . . 2_566 ?
C13 Si3 O7 Eu1 110.5(3) . . . 2_566 ?
O4 Si4 O8 Eu2 -6.57(13) . . . 2_566 ?
O3 Si4 O8 Eu2 -126.20(11) . . . 2_566 ?
C19 Si4 O8 Eu2 114.21(12) . . . 2_566 ?
O4 Si4 O8 Tb2 -6.13(10) . . . 2_566 ?
O3 Si4 O8 Tb2 -125.76(8) . . . 2_566 ?
C19 Si4 O8 Tb2 114.65(9) . . . 2_566 ?
O4 Si4 O8 Tb1 123.99(10) . . . 2_566 ?
O3 Si4 O8 Tb1 4.35(12) . . . 2_566 ?
C19 Si4 O8 Tb1 -115.23(11) . . . 2_566 ?
O4 Si4 O8 Eu1 123.8(2) . . . 2_566 ?
O3 Si4 O8 Eu1 4.2(2) . . . 2_566 ?
C19 Si4 O8 Eu1 -115.4(2) . . . 2_566 ?
Tb1 O9 N1 O11 -178.49(17) . . . . ?
Eu1 O9 N1 O10 1.0(3) . . . . ?
Tb1 O9 N1 O10 0.90(16) . . . . ?
Tb1 O10 N1 O11 178.48(16) . . . . ?
Eu1 O10 N1 O11 178.4(3) . . . . ?
Tb1 O10 N1 O9 -0.92(17) . . . . ?
Eu1 O10 N1 O9 -1.0(3) . . . . ?
Eu2 O13 N2 O15 179.84(17) . . . . ?
Tb2 O13 N2 O15 179.75(16) . . . . ?
Eu2 O13 N2 O14 -0.57(17) . . . . ?
Tb2 O13 N2 O14 -0.66(16) . . . . ?
Eu2 O14 N2 O15 -179.84(17) . . . . ?
Tb2 O14 N2 O15 -179.75(16) . . . . ?
Eu2 O14 N2 O13 0.57(17) . . . . ?
Tb2 O14 N2 O13 0.66(16) . . . . ?
O5 Si1 C1 C2 84.89(17) . . . . ?
O1 Si1 C1 C2 -152.81(15) . . . . ?
O4 Si1 C1 C2 -36.93(17) . . . . ?
O5 Si1 C1 C6 -92.34(15) . . . . ?
O1 Si1 C1 C6 29.96(17) . . . . ?
O4 Si1 C1 C6 145.84(14) . . . . ?
C6 C1 C2 C3 0.9(3) . . . . ?
Si1 C1 C2 C3 -176.40(18) . . . . ?
C1 C2 C3 C4 -0.2(4) . . . . ?
C2 C3 C4 C5 -0.7(4) . . . . ?
C3 C4 C5 C6 0.8(4) . . . . ?
C4 C5 C6 C1 -0.1(3) . . . . ?
C2 C1 C6 C5 -0.8(3) . . . . ?
Si1 C1 C6 C5 176.56(16) . . . . ?
O6 Si2 C7 C8 73.88(17) . . . . ?
O1 Si2 C7 C8 -48.38(17) . . . . ?
O2 Si2 C7 C8 -163.27(15) . . . . ?
O6 Si2 C7 C12 -109.79(15) . . . . ?
O1 Si2 C7 C12 127.95(14) . . . . ?
O2 Si2 C7 C12 13.06(16) . . . . ?
C12 C7 C8 C9 0.1(3) . . . . ?
Si2 C7 C8 C9 176.51(16) . . . . ?
C7 C8 C9 C10 -0.9(3) . . . . ?
C8 C9 C10 C11 0.9(3) . . . . ?
C9 C10 C11 C12 -0.2(3) . . . . ?
C10 C11 C12 C7 -0.6(3) . . . . ?
C8 C7 C12 C11 0.6(3) . . . . ?
Si2 C7 C12 C11 -175.89(16) . . . . ?
O7 Si3 C13 C18 -153.38(15) . . . . ?
O2 Si3 C13 C18 85.14(17) . . . . ?
O3 Si3 C13 C18 -31.77(18) . . . . ?
O7 Si3 C13 C14 26.99(17) . . . . ?
O2 Si3 C13 C14 -94.49(15) . . . . ?
O3 Si3 C13 C14 148.60(14) . . . . ?
C18 C13 C14 C15 -0.5(3) . . . . ?
Si3 C13 C14 C15 179.17(15) . . . . ?
C13 C14 C15 C16 -0.3(3) . . . . ?
C14 C15 C16 C17 0.4(4) . . . . ?
C15 C16 C17 C18 0.2(4) . . . . ?
C16 C17 C18 C13 -0.9(4) . . . . ?
C14 C13 C18 C17 1.1(3) . . . . ?
Si3 C13 C18 C17 -178.57(19) . . . . ?
O8 Si4 C19 C24 -99.98(16) . . . . ?
O4 Si4 C19 C24 22.76(17) . . . . ?
O3 Si4 C19 C24 139.61(15) . . . . ?
O8 Si4 C19 C20 81.88(16) . . . . ?
O4 Si4 C19 C20 -155.38(15) . . . . ?
O3 Si4 C19 C20 -38.53(17) . . . . ?
C24 C19 C20 C21 -0.2(3) . . . . ?
Si4 C19 C20 C21 178.04(17) . . . . ?
C19 C20 C21 C22 -0.2(3) . . . . ?
C20 C21 C22 C23 0.4(3) . . . . ?
C21 C22 C23 C24 -0.2(4) . . . . ?
C22 C23 C24 C19 -0.1(4) . . . . ?
C20 C19 C24 C23 0.3(3) . . . . ?
Si4 C19 C24 C23 -177.85(17) . . . . ?
Tb1 O12 C25 C26 138.7(4) . . . . ?
Eu1 O12 C25 C26 139.3(5) . . . . ?
O12 C25 C26 C26 -112.3(8) . . . 2_576 ?
Eu2 O16 C27 C28 97.2(2) . . . . ?
Tb2 O16 C27 C28 97.8(2) . . . . ?
C39 N3 C33 C34 -60.8(5) . . . . ?
C35 N3 C33 C34 64.9(5) . . . . ?
C37 N3 C33 C34 176.9(4) . . . . ?
C33 N3 C35 C36 57.1(5) . . . . ?
C39 N3 C35 C36 -172.0(5) . . . . ?
C37 N3 C35 C36 -57.9(5) . . . . ?
C33 N3 C37 C38 -170.9(5) . . . . ?
C39 N3 C37 C38 60.9(5) . . . . ?
C35 N3 C37 C38 -53.3(5) . . . . ?
C33 N3 C39 C40 -57.9(5) . . . . ?
C35 N3 C39 C40 174.9(4) . . . . ?
C37 N3 C39 C40 64.1(5) . . . . ?
