#------------------------------------------------------------------------------
#$Date: 2022-01-19 00:56:57 +0100 (Wed 19 de Jan de 2022) $
#$Revision: 272118 $
#$URL: svn://www.crystallography.net/cod/cif/7/70/93/7709322.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_7709322
loop_
_publ_author_name
'Wu, Jiaqi'
'Ma, Xin-Yue'
'Liang, Chenglong'
'Lu, Jian-Mei'
'shi, qian'
'Shao, Li-Xiong'
_publ_section_title
;
 Design of an antenna effective Eu(III)-based metal-organic framework for
 highly selective sensing of Fe3+
;
_journal_name_full               'Dalton Transactions'
_journal_paper_doi               10.1039/D1DT03995D
_journal_year                    2022
_chemical_formula_moiety         'C34 H23 Eu O10, C3 H7 N O'
_chemical_formula_sum            'C37 H30 Eu N O11'
_chemical_formula_weight         816.58
_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     dual
_audit_creation_date             2021-04-25
_audit_creation_method
; 
Olex2 1.2 
(compiled 2018.05.29 svn.r3508 for OlexSys, GUI svn.r5506) 
;
_audit_update_record
;
2021-08-07 deposited with the CCDC.	2022-01-18 downloaded from the CCDC.
;
_cell_angle_alpha                97.4790(10)
_cell_angle_beta                 101.0320(10)
_cell_angle_gamma                97.9230(10)
_cell_formula_units_Z            2
_cell_length_a                   10.6648(4)
_cell_length_b                   10.9074(4)
_cell_length_c                   17.4597(7)
_cell_measurement_reflns_used    9978
_cell_measurement_temperature    213
_cell_measurement_theta_max      54.618
_cell_measurement_theta_min      5.012
_cell_volume                     1948.68(13)
_computing_cell_refinement       'SAINT v8.37A (Bruker, 2015)'
_computing_data_collection       'Bruker APEX2'
_computing_data_reduction        'SAINT v8.37A (Bruker, 2015)'
_computing_molecular_graphics    'Olex2 (Dolomanov et al., 2009)'
_computing_publication_material  'Olex2 (Dolomanov et al., 2009)'
_computing_structure_refinement  'ShelXL (Sheldrick, 2015)'
_computing_structure_solution    'ShelXT (Sheldrick, 2015)'
_diffrn_ambient_temperature      212.97
_diffrn_measured_fraction_theta_full 0.998
_diffrn_measured_fraction_theta_max 0.998
_diffrn_measurement_device_type  'Bruker APEX-II CCD'
_diffrn_measurement_method       'φ and ω scans'
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_reflns_av_R_equivalents  0.0593
_diffrn_reflns_av_unetI/netI     0.0580
_diffrn_reflns_Laue_measured_fraction_full 0.998
_diffrn_reflns_Laue_measured_fraction_max 0.998
_diffrn_reflns_limit_h_max       12
_diffrn_reflns_limit_h_min       -12
_diffrn_reflns_limit_k_max       13
_diffrn_reflns_limit_k_min       -12
_diffrn_reflns_limit_l_max       21
_diffrn_reflns_limit_l_min       -21
_diffrn_reflns_number            28583
_diffrn_reflns_point_group_measured_fraction_full 0.998
_diffrn_reflns_point_group_measured_fraction_max 0.998
_diffrn_reflns_theta_full        25.242
_diffrn_reflns_theta_max         25.500
_diffrn_reflns_theta_min         2.408
_diffrn_standards_number         0
_exptl_absorpt_coefficient_mu    1.665
_exptl_absorpt_correction_T_max  0.7456
_exptl_absorpt_correction_T_min  0.6309
_exptl_absorpt_correction_type   multi-scan
_exptl_crystal_colour            colourless
_exptl_crystal_colour_primary    colourless
_exptl_crystal_density_diffrn    1.392
_exptl_crystal_description       plate
_exptl_crystal_F_000             820
_exptl_crystal_size_max          0.14
_exptl_crystal_size_mid          0.11
_exptl_crystal_size_min          0.06
_refine_diff_density_max         1.545
_refine_diff_density_min         -1.113
_refine_diff_density_rms         0.131
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.090
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     443
_refine_ls_number_reflns         7245
_refine_ls_number_restraints     55
_refine_ls_restrained_S_all      1.110
_refine_ls_R_factor_all          0.0540
_refine_ls_R_factor_gt           0.0440
_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)+(0.0599P)²+2.5831P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1094
_refine_ls_wR_factor_ref         0.1161
_reflns_Friedel_coverage         0.000
_reflns_number_gt                6245
_reflns_number_total             7245
_reflns_threshold_expression     'I > 2σ(I)'
_cod_data_source_file            d1dt03995d2.cif
_cod_data_source_block           mo_dd21118_0m
_cod_database_code               7709322
_shelxl_version_number           2013-4
_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_max   0.907
_shelx_estimated_absorpt_t_min   0.800
_olex2_refinement_description
; 
1. Fixed Uiso 
 At 1.2 times of: 
  All C(H) groups 
 At 1.5 times of: 
  All C(H,H,H) groups, All O(H) groups, All O(H,H) groups 
2. Rigid bond restraints 
 O7, C34 
 with sigma for 1-2 distances of 0.003 and sigma for 1-3 distances of 0.003 
3. Uiso/Uaniso restraints and constraints 
O7 \\sim O8 \\sim C28 \\sim C29 \\sim C30 \\sim C31 \\sim C32 \\sim C33 \\sim 
C34: within 2A with sigma of 0.004 and sigma for terminal atoms of 0.008 
C36: within 2A with sigma of 0.004 and sigma for terminal atoms of 0.008 
4.a Rotating group: 
 O9(H9A,H9B), O10(H10A,H10B) 
4.b Aromatic/amide H refined with riding coordinates: 
 C3(H3), C4(H4), C5(H5), C6(H6), C9(H9), C10(H10), C12(H12), C13(H13), 
 C15(H15), C20(H20), C23(H23), C24(H24), C26(H26), C27(H27), C29(H29), C30(H30), 
  C31(H31), C32(H32), C35(H35) 
4.c Fitted hexagon refined as free rotating group: 
 C28(C29,C30,C31,C32,C33) 
4.d Tetrahedral OH refined with riding coordinates: 
 O8(H8) 
4.e Idealised Me refined as rotating group: 
 C36(H36A,H36B,H36C), C37(H37A,H37B,H37C) 
;
_olex2_submission_special_instructions 'No special instructions were received'
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 0.29137(2) 0.45752(2) 0.46771(2) 0.01796(10) Uani 1 1 d . . . . .
O1 O 0.4430(4) 0.4172(4) 0.3921(2) 0.0351(10) Uani 1 1 d . . . . .
O2 O 0.6522(4) 0.4597(3) 0.3947(2) 0.0290(9) Uani 1 1 d . . . . .
O3 O 1.1137(4) 0.3358(3) 0.5099(2) 0.0328(9) Uani 1 1 d . . . . .
O4 O 1.1783(3) 0.2356(3) 0.4108(2) 0.0255(8) Uani 1 1 d . . . . .
O5 O 0.3845(3) 0.6641(3) 0.4629(2) 0.0254(8) Uani 1 1 d . . . . .
O6 O 0.5974(3) 0.6909(3) 0.4687(2) 0.0258(8) Uani 1 1 d . . . . .
O7 O 1.0662(6) 1.4462(6) 0.6709(3) 0.0814(18) Uani 1 1 d . U . . .
O8 O 1.2459(8) 1.3779(9) 0.7030(5) 0.126(2) Uani 1 1 d . U . . .
H8 H 1.2501 1.3880 0.6572 0.189 Uiso 1 1 calc R . . . .
O9 O 0.1400(4) 0.6041(4) 0.4892(3) 0.0422(11) Uani 1 1 d . . . . .
H9A H 0.1153 0.6015 0.5357 0.063 Uiso 1 1 d GR . . . .
H9B H 0.0644 0.5801 0.4537 0.063 Uiso 1 1 d GR . . . .
O10 O 0.1633(5) 0.4635(4) 0.3406(3) 0.0470(12) Uani 1 1 d . . . . .
H10A H 0.0807 0.4702 0.3428 0.071 Uiso 1 1 d GR . . . .
H10B H 0.1540 0.3901 0.3082 0.071 Uiso 1 1 d GR . . . .
C1 C 0.5376(5) 0.4208(5) 0.3591(3) 0.0252(12) Uani 1 1 d . . . . .
C2 C 0.5124(5) 0.3807(5) 0.2714(3) 0.0285(12) Uani 1 1 d . . . . .
C3 C 0.4185(6) 0.4327(6) 0.2238(4) 0.0388(15) Uani 1 1 d . . . . .
H3 H 0.3692 0.4849 0.2479 0.047 Uiso 1 1 calc R . . . .
C4 C 0.3977(7) 0.4095(7) 0.1442(4) 0.0527(19) Uani 1 1 d . . . . .
H4 H 0.3348 0.4453 0.1132 0.063 Uiso 1 1 calc R . . . .
C5 C 0.4709(7) 0.3315(7) 0.1082(4) 0.0528(19) Uani 1 1 d . . . . .
H5 H 0.4585 0.3164 0.0528 0.063 Uiso 1 1 calc R . . . .
C6 C 0.5612(6) 0.2767(6) 0.1538(4) 0.0408(15) Uani 1 1 d . . . . .
H6 H 0.6084 0.2228 0.1291 0.049 Uiso 1 1 calc R . . . .
C7 C 0.5831(5) 0.3005(5) 0.2360(3) 0.0280(12) Uani 1 1 d . . . . .
C8 C 0.6714(5) 0.2325(5) 0.2836(3) 0.0260(12) Uani 1 1 d . . . . .
C9 C 0.7988(5) 0.2300(5) 0.2750(3) 0.0286(12) Uani 1 1 d . . . . .
H9 H 0.8289 0.2696 0.2357 0.034 Uiso 1 1 calc R . . . .
C10 C 0.8816(5) 0.1703(5) 0.3232(3) 0.0275(12) Uani 1 1 d . . . . .
H10 H 0.9665 0.1696 0.3157 0.033 Uiso 1 1 calc R . . . .
C11 C 0.8409(5) 0.1116(4) 0.3822(3) 0.0230(11) Uani 1 1 d . . . . .
C12 C 0.7118(5) 0.1103(5) 0.3893(3) 0.0252(12) Uani 1 1 d . . . . .
H12 H 0.6805 0.0680 0.4271 0.030 Uiso 1 1 calc R . . . .
C13 C 0.6306(5) 0.1702(5) 0.3413(3) 0.0286(12) Uani 1 1 d . . . . .
H13 H 0.5450 0.1689 0.3479 0.034 Uiso 1 1 calc R . . . .
C14 C 0.9269(5) 0.0543(4) 0.4401(3) 0.0204(11) Uani 1 1 d . . . . .
C15 C 0.8783(5) -0.0603(4) 0.4605(3) 0.0215(11) Uani 1 1 d . . . . .
H15 H 0.7955 -0.1022 0.4335 0.026 Uiso 1 1 calc R . . . .
C16 C 1.0515(5) 0.1144(4) 0.4805(3) 0.0202(11) Uani 1 1 d . . . . .
C17 C 1.1164(5) 0.2362(5) 0.4647(3) 0.0211(11) Uani 1 1 d . . . . .
C18 C 0.4927(5) 0.7309(5) 0.4684(3) 0.0210(11) Uani 1 1 d . . . . .
C19 C 0.4963(5) 0.8710(4) 0.4787(3) 0.0175(10) Uani 1 1 d . . . . .
C20 C 0.5892(5) 0.9414(4) 0.5420(3) 0.0196(11) Uani 1 1 d . . . . .
H20 H 0.6510 0.9009 0.5702 0.023 Uiso 1 1 calc R . . . .
C21 C 0.5944(5) 1.0705(5) 0.5656(3) 0.0208(11) Uani 1 1 d . . . . .
C22 C 0.6961(5) 1.1384(5) 0.6338(3) 0.0245(12) Uani 1 1 d . . . . .
C23 C 0.6704(6) 1.2239(5) 0.6929(3) 0.0313(13) Uani 1 1 d . . . . .
H23 H 0.5854 1.2395 0.6909 0.038 Uiso 1 1 calc R . . . .
C24 C 0.7698(7) 1.2861(5) 0.7548(4) 0.0402(16) Uani 1 1 d . . . . .
H24 H 0.7513 1.3437 0.7943 0.048 Uiso 1 1 calc R . . . .
C25 C 0.8960(6) 1.2648(6) 0.7593(4) 0.0425(16) Uani 1 1 d . . . . .
C26 C 0.9198(7) 1.1746(7) 0.7035(4) 0.0518(18) Uani 1 1 d . . . . .
H26 H 1.0034 1.1543 0.7079 0.062 Uiso 1 1 calc R . . . .
C27 C 0.8224(6) 1.1142(6) 0.6415(4) 0.0386(15) Uani 1 1 d . . . . .
H27 H 0.8414 1.0549 0.6032 0.046 Uiso 1 1 calc R . . . .
C28 C 1.0112(5) 1.3327(6) 0.8210(3) 0.0728(17) Uani 1 1 d . U . . .
C29 C 1.0052(5) 1.3335(6) 0.8999(3) 0.0837(19) Uani 1 1 d G U . . .
H29 H 0.9286 1.2975 0.9131 0.100 Uiso 1 1 calc R . . . .
C30 C 1.1126(6) 1.3876(6) 0.9592(2) 0.092(2) Uani 1 1 d G U . . .
H30 H 1.1085 1.3882 1.0125 0.110 Uiso 1 1 calc R . . . .
C31 C 1.2259(5) 1.4409(6) 0.9396(3) 0.092(2) Uani 1 1 d G U . . .
H31 H 1.2985 1.4775 0.9797 0.111 Uiso 1 1 calc R . . . .
C32 C 1.2319(5) 1.4401(6) 0.8607(3) 0.0881(19) Uani 1 1 d G U . . .
H32 H 1.3086 1.4761 0.8475 0.106 Uiso 1 1 calc R . . . .
C33 C 1.1246(6) 1.3860(6) 0.8014(2) 0.0801(16) Uani 1 1 d G U . . .
C34 C 1.1304(10) 1.4050(10) 0.7180(6) 0.0811(18) Uani 1 1 d . U . . .
O11 O 0.1119(6) 0.2693(6) 0.2199(3) 0.0772(18) Uani 1 1 d . . . . .
N1 N 0.2028(8) 0.1087(7) 0.1700(4) 0.080(2) Uani 1 1 d . . . . .
C35 C 0.1877(9) 0.1903(9) 0.2268(5) 0.067(2) Uani 1 1 d . . . . .
H35 H 0.2374 0.1909 0.2776 0.081 Uiso 1 1 calc R . . . .
C36 C 0.1293(19) 0.1010(16) 0.0896(7) 0.225(11) Uani 1 1 d . U . . .
H36A H 0.1884 0.1204 0.0553 0.338 Uiso 1 1 calc GR . . . .
H36B H 0.0697 0.1607 0.0888 0.338 Uiso 1 1 calc GR . . . .
H36C H 0.0809 0.0169 0.0711 0.338 Uiso 1 1 calc GR . . . .
C37 C 0.3001(11) 0.0261(9) 0.1846(6) 0.089(3) Uani 1 1 d . . . . .
H37A H 0.3452 0.0453 0.2396 0.133 Uiso 1 1 calc GR . . . .
H37B H 0.3618 0.0393 0.1510 0.133 Uiso 1 1 calc GR . . . .
H37C H 0.2574 -0.0607 0.1727 0.133 Uiso 1 1 calc GR . . . .
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'
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
O1 Eu1 Eu1 50.64(11) . 2_666 ?
O1 Eu1 O2 123.45(14) . 2_666 ?
O1 Eu1 O3 136.99(13) . 1_455 ?
O1 Eu1 O4 85.89(13) . 1_455 ?
O1 Eu1 O5 80.10(13) . . ?
O1 Eu1 O6 76.10(13) . 2_666 ?
O1 Eu1 O9 141.46(15) . . ?
O1 Eu1 O10 81.53(16) . . ?
O1 Eu1 C1 104.52(14) . 2_666 ?
O1 Eu1 C17 110.79(14) . 1_455 ?
O2 Eu1 Eu1 73.05(9) 2_666 2_666 ?
O2 Eu1 O3 81.23(13) 2_666 1_455 ?
O2 Eu1 O4 124.34(12) 2_666 1_455 ?
O2 Eu1 O6 73.66(12) 2_666 2_666 ?
O2 Eu1 O9 74.27(14) 2_666 . ?
O2 Eu1 O10 147.65(15) 2_666 . ?
O2 Eu1 C1 19.10(13) 2_666 2_666 ?
O2 Eu1 C17 101.73(14) 2_666 1_455 ?
O3 Eu1 Eu1 138.35(10) 1_455 2_666 ?
O3 Eu1 O4 52.36(12) 1_455 1_455 ?
O3 Eu1 O9 74.55(13) 1_455 . ?
O3 Eu1 C1 97.84(14) 1_455 2_666 ?
O3 Eu1 C17 26.47(13) 1_455 1_455 ?
O4 Eu1 Eu1 120.29(8) 1_455 2_666 ?
O4 Eu1 C1 131.53(12) 1_455 2_666 ?
O4 Eu1 C17 26.20(13) 1_455 1_455 ?
O5 Eu1 Eu1 64.05(9) . 2_666 ?
O5 Eu1 O2 79.93(13) . 2_666 ?
O5 Eu1 O3 142.45(12) . 1_455 ?
O5 Eu1 O4 155.70(13) . 1_455 ?
O5 Eu1 O6 125.10(12) . 2_666 ?
O5 Eu1 O9 69.20(13) . . ?
O5 Eu1 O10 85.49(14) . . ?
O5 Eu1 C1 71.70(13) . 2_666 ?
O5 Eu1 C17 164.40(13) . 1_455 ?
O6 Eu1 Eu1 62.52(8) 2_666 2_666 ?
O6 Eu1 O3 79.25(13) 2_666 1_455 ?
O6 Eu1 O4 69.42(12) 2_666 1_455 ?
O6 Eu1 O9 141.05(15) 2_666 . ?
O6 Eu1 C1 67.72(12) 2_666 2_666 ?
O6 Eu1 C17 69.63(13) 2_666 1_455 ?
O9 Eu1 Eu1 126.32(10) . 2_666 ?
O9 Eu1 O4 113.24(13) . 1_455 ?
O9 Eu1 C1 87.75(14) . 2_666 ?
O9 Eu1 C17 96.14(14) . 1_455 ?
O10 Eu1 Eu1 125.28(12) . 2_666 ?
O10 Eu1 O3 93.59(15) . 1_455 ?
O10 Eu1 O4 72.81(13) . 1_455 ?
O10 Eu1 O6 137.01(14) . 2_666 ?
O10 Eu1 O9 73.58(16) . . ?
O10 Eu1 C1 154.66(14) . 2_666 ?
O10 Eu1 C17 85.18(15) . 1_455 ?
C1 Eu1 Eu1 53.99(10) 2_666 2_666 ?
C17 Eu1 Eu1 131.43(10) 1_455 2_666 ?
C17 Eu1 C1 114.32(14) 1_455 2_666 ?
C1 O1 Eu1 166.5(4) . . ?
C1 O2 Eu1 122.2(3) . 2_666 ?
C17 O3 Eu1 93.9(3) . 1_655 ?
C17 O4 Eu1 90.3(3) . 1_655 ?
C18 O5 Eu1 141.1(3) . . ?
C18 O6 Eu1 136.6(3) . 2_666 ?
C34 O8 H8 109.5 . . ?
Eu1 O9 H9A 112.1 . . ?
Eu1 O9 H9B 110.5 . . ?
H9A O9 H9B 102.5 . . ?
Eu1 O10 H10A 111.9 . . ?
Eu1 O10 H10B 111.1 . . ?
H10A O10 H10B 102.4 . . ?
O1 C1 Eu1 85.1(3) . 2_666 ?
O1 C1 C2 118.6(5) . . ?
O2 C1 Eu1 38.7(3) . 2_666 ?
O2 C1 O1 123.8(5) . . ?
O2 C1 C2 117.6(5) . . ?
C2 C1 Eu1 156.0(4) . 2_666 ?
C3 C2 C1 117.9(5) . . ?
C7 C2 C1 122.5(5) . . ?
C7 C2 C3 119.5(5) . . ?
C2 C3 H3 119.3 . . ?
C4 C3 C2 121.5(6) . . ?
C4 C3 H3 119.3 . . ?
C3 C4 H4 120.4 . . ?
C3 C4 C5 119.3(6) . . ?
C5 C4 H4 120.4 . . ?
C4 C5 H5 119.9 . . ?
C6 C5 C4 120.3(6) . . ?
C6 C5 H5 119.9 . . ?
C5 C6 H6 119.7 . . ?
C5 C6 C7 120.7(6) . . ?
C7 C6 H6 119.7 . . ?
C2 C7 C6 118.8(5) . . ?
C2 C7 C8 121.1(5) . . ?
C6 C7 C8 119.9(5) . . ?
C9 C8 C7 122.7(5) . . ?
C13 C8 C7 120.2(5) . . ?
C13 C8 C9 117.0(5) . . ?
C8 C9 H9 119.3 . . ?
C10 C9 C8 121.4(5) . . ?
C10 C9 H9 119.3 . . ?
C9 C10 H10 119.5 . . ?
C11 C10 C9 120.9(5) . . ?
C11 C10 H10 119.5 . . ?
C10 C11 C12 117.8(5) . . ?
C10 C11 C14 124.0(5) . . ?
C12 C11 C14 118.1(5) . . ?
C11 C12 H12 119.6 . . ?
C13 C12 C11 120.8(5) . . ?
C13 C12 H12 119.6 . . ?
C8 C13 H13 119.0 . . ?
C12 C13 C8 122.0(5) . . ?
C12 C13 H13 119.0 . . ?
C15 C14 C11 118.9(4) . . ?
C15 C14 C16 117.7(5) . . ?
C16 C14 C11 123.1(4) . . ?
C14 C15 H15 118.8 . . ?
C16 C15 C14 122.3(5) 2_756 . ?
C16 C15 H15 118.8 2_756 . ?
C14 C16 C17 123.8(5) . . ?
C15 C16 C14 119.9(5) 2_756 . ?
C15 C16 C17 116.3(4) 2_756 . ?
O3 C17 Eu1 59.7(3) . 1_655 ?
O3 C17 C16 118.7(5) . . ?
O4 C17 Eu1 63.5(3) . 1_655 ?
O4 C17 O3 122.0(5) . . ?
O4 C17 C16 119.1(4) . . ?
C16 C17 Eu1 164.8(4) . 1_655 ?
O5 C18 C19 116.7(4) . . ?
O6 C18 O5 125.3(5) . . ?
O6 C18 C19 117.9(4) . . ?
C20 C19 C18 115.9(4) . . ?
C20 C19 C21 119.9(4) . 2_676 ?
C21 C19 C18 123.9(4) 2_676 . ?
C19 C20 H20 118.6 . . ?
C19 C20 C21 122.7(5) . . ?
C21 C20 H20 118.6 . . ?
C19 C21 C20 117.3(5) 2_676 . ?
C19 C21 C22 123.3(5) 2_676 . ?
C20 C21 C22 119.3(5) . . ?
C23 C22 C21 122.8(5) . . ?
C23 C22 C27 117.6(5) . . ?
C27 C22 C21 119.6(5) . . ?
C22 C23 H23 119.9 . . ?
C24 C23 C22 120.2(6) . . ?
C24 C23 H23 119.9 . . ?
C23 C24 H24 119.4 . . ?
C25 C24 C23 121.2(6) . . ?
C25 C24 H24 119.4 . . ?
C24 C25 C28 125.2(6) . . ?
C26 C25 C24 118.5(6) . . ?
C26 C25 C28 116.3(6) . . ?
C25 C26 H26 119.7 . . ?
C27 C26 C25 120.5(6) . . ?
C27 C26 H26 119.7 . . ?
C22 C27 H27 119.1 . . ?
C26 C27 C22 121.8(6) . . ?
C26 C27 H27 119.1 . . ?
C29 C28 C25 117.7(5) . . ?
C29 C28 C33 120.0 . . ?
C33 C28 C25 122.1(5) . . ?
C28 C29 H29 120.0 . . ?
C30 C29 C28 120.0 . . ?
C30 C29 H29 120.0 . . ?
C29 C30 H30 120.0 . . ?
C31 C30 C29 120.0 . . ?
C31 C30 H30 120.0 . . ?
C30 C31 H31 120.0 . . ?
C30 C31 C32 120.0 . . ?
C32 C31 H31 120.0 . . ?
C31 C32 H32 120.0 . . ?
C33 C32 C31 120.0 . . ?
C33 C32 H32 120.0 . . ?
C28 C33 C34 122.1(5) . . ?
C32 C33 C28 120.0 . . ?
C32 C33 C34 117.3(5) . . ?
O7 C34 O8 117.4(9) . . ?
O7 C34 C33 133.5(10) . . ?
O8 C34 C33 108.6(7) . . ?
C35 N1 C36 120.9(9) . . ?
C35 N1 C37 120.5(8) . . ?
C36 N1 C37 118.5(8) . . ?
O11 C35 N1 125.5(9) . . ?
O11 C35 H35 117.2 . . ?
N1 C35 H35 117.2 . . ?
N1 C36 H36A 109.5 . . ?
N1 C36 H36B 109.5 . . ?
N1 C36 H36C 109.5 . . ?
H36A C36 H36B 109.5 . . ?
H36A C36 H36C 109.5 . . ?
H36B C36 H36C 109.5 . . ?
N1 C37 H37A 109.5 . . ?
N1 C37 H37B 109.5 . . ?
N1 C37 H37C 109.5 . . ?
H37A C37 H37B 109.5 . . ?
H37A C37 H37C 109.5 . . ?
H37B C37 H37C 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 Eu1 4.3132(5) 2_666 ?
Eu1 O1 2.326(4) . ?
Eu1 O2 2.383(4) 2_666 ?
Eu1 O3 2.447(4) 1_455 ?
Eu1 O4 2.532(3) 1_455 ?
Eu1 O5 2.353(3) . ?
Eu1 O6 2.398(3) 2_666 ?
Eu1 O9 2.467(4) . ?
Eu1 O10 2.387(4) . ?
Eu1 C1 3.226(6) 2_666 ?
Eu1 C17 2.829(5) 1_455 ?
O1 C1 1.253(6) . ?
O2 Eu1 2.383(4) 2_666 ?
O2 C1 1.248(6) . ?
O3 Eu1 2.447(4) 1_655 ?
O3 C17 1.264(6) . ?
O4 Eu1 2.532(3) 1_655 ?
O4 C17 1.249(6) . ?
O5 C18 1.257(6) . ?
O6 Eu1 2.398(3) 2_666 ?
O6 C18 1.253(6) . ?
O7 C34 1.146(10) . ?
O8 H8 0.8300 . ?
O8 C34 1.370(12) . ?
O9 H9A 0.9045 . ?
O9 H9B 0.9012 . ?
O10 H10A 0.9012 . ?
O10 H10B 0.8996 . ?
C1 Eu1 3.226(6) 2_666 ?
C1 C2 1.498(8) . ?
C2 C3 1.406(8) . ?
C2 C7 1.391(8) . ?
C3 H3 0.9400 . ?
C3 C4 1.349(9) . ?
C4 H4 0.9400 . ?
C4 C5 1.399(10) . ?
C5 H5 0.9400 . ?
C5 C6 1.381(9) . ?
C6 H6 0.9400 . ?
C6 C7 1.393(8) . ?
C7 C8 1.477(7) . ?
C8 C9 1.398(8) . ?
C8 C13 1.390(8) . ?
C9 H9 0.9400 . ?
C9 C10 1.389(8) . ?
C10 H10 0.9400 . ?
C10 C11 1.388(7) . ?
C11 C12 1.403(7) . ?
C11 C14 1.492(7) . ?
C12 H12 0.9400 . ?
C12 C13 1.378(7) . ?
C13 H13 0.9400 . ?
C14 C15 1.401(7) . ?
C14 C16 1.405(7) . ?
C15 H15 0.9400 . ?
C15 C16 1.398(7) 2_756 ?
C16 C15 1.398(7) 2_756 ?
C16 C17 1.495(7) . ?
C17 Eu1 2.829(5) 1_655 ?
C18 C19 1.509(7) . ?
C19 C20 1.394(7) . ?
C19 C21 1.397(7) 2_676 ?
C20 H20 0.9400 . ?
C20 C21 1.405(7) . ?
C21 C19 1.397(7) 2_676 ?
C21 C22 1.483(7) . ?
C22 C23 1.392(8) . ?
C22 C27 1.393(8) . ?
C23 H23 0.9400 . ?
C23 C24 1.387(8) . ?
C24 H24 0.9400 . ?
C24 C25 1.386(9) . ?
C25 C26 1.377(10) . ?
C25 C28 1.501(7) . ?
C26 H26 0.9400 . ?
C26 C27 1.370(9) . ?
C27 H27 0.9400 . ?
C28 C29 1.3900 . ?
C28 C33 1.3900 . ?
C29 H29 0.9400 . ?
C29 C30 1.3900 . ?
C30 H30 0.9400 . ?
C30 C31 1.3900 . ?
C31 H31 0.9400 . ?
C31 C32 1.3900 . ?
C32 H32 0.9400 . ?
C32 C33 1.3900 . ?
C33 C34 1.509(10) . ?
O11 C35 1.261(10) . ?
N1 C35 1.294(10) . ?
N1 C36 1.457(13) . ?
N1 C37 1.473(11) . ?
C35 H35 0.9400 . ?
C36 H36A 0.9700 . ?
C36 H36B 0.9700 . ?
C36 H36C 0.9700 . ?
C37 H37A 0.9700 . ?
C37 H37B 0.9700 . ?
C37 H37C 0.9700 . ?
loop_
_smtbx_masks_void_nr
_smtbx_masks_void_average_x
_smtbx_masks_void_average_y
_smtbx_masks_void_average_z
_smtbx_masks_void_volume
_smtbx_masks_void_count_electrons
_smtbx_masks_void_content
1 -0.500 0.000 0.000 447.1 153.2 ?
