#------------------------------------------------------------------------------
#$Date: 2025-07-06 18:22:20 +0300 (Sun, 06 Jul 2025) $
#$Revision: 300747 $
#$URL: file:///home/coder/svn-repositories/cod/cif/7/71/87/7718768.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_7718768
loop_
_publ_author_name
'Hou, Chuan-Bing'
'Guo, Gui-Xiong'
'Dai, Li-Xiong'
'Li, Ying-Yu'
'Wang, Lin-Lin'
'Song, Hui-Hua'
'Xin, Xiu-Lan'
'Han, Hong-Liang'
'Wang, Xue-Dong'
'Li, Xing-Ru'
'Jin, Qiong-Hua'
_publ_section_title
;
 Construction and characterization of rare earth complexes for efficient
 emission tuning by tetraethyl ethylenebisphosphonate and tridentate
 chelating nitrogen ligands.
;
_journal_issue                   24
_journal_name_full
'Dalton transactions (Cambridge, England : 2003)'
_journal_page_first              9594
_journal_page_last               9604
_journal_paper_doi               10.1039/d5dt00963d
_journal_volume                  54
_journal_year                    2025
_chemical_formula_sum            'C46 H48 Eu2 N18 O24 P2'
_chemical_formula_weight         1602.88
_space_group_IT_number           2
_space_group_name_Hall           '-P 1'
_space_group_name_H-M_alt        'P -1'
_symmetry_cell_setting           triclinic
_symmetry_space_group_name_H-M   'P -1'
_atom_sites_solution_hydrogens   geom
_atom_sites_solution_primary     direct
_atom_sites_solution_secondary   difmap
_audit_creation_method           SHELXL-97
_audit_update_record
;
2024-10-11 deposited with the CCDC.	2025-05-19 downloaded from the CCDC.
;
_cell_angle_alpha                100.363(3)
_cell_angle_beta                 95.237(2)
_cell_angle_gamma                95.108(2)
_cell_formula_units_Z            1
_cell_length_a                   9.6148(11)
_cell_length_b                   11.6122(13)
_cell_length_c                   14.1943(15)
_cell_measurement_reflns_used    2379
_cell_measurement_temperature    293(2)
_cell_measurement_theta_max      27.668
_cell_measurement_theta_min      2.936
_cell_volume                     1543.4(3)
_computing_cell_refinement       'Bruker SMART'
_computing_data_collection       'Bruker SMART'
_computing_data_reduction        'Bruker SHELXTL'
_computing_molecular_graphics    'Bruker SHELXTL'
_computing_publication_material  'Bruker SHELXTL'
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 1997)'
_computing_structure_solution    'SHELXS-97 (Sheldrick, 1990)'
_diffrn_ambient_temperature      293(2)
_diffrn_measured_fraction_theta_full 0.984
_diffrn_measured_fraction_theta_max 0.984
_diffrn_measurement_device_type  'CCD area detector'
_diffrn_measurement_method       'phi and omega 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  0.0590
_diffrn_reflns_av_sigmaI/netI    0.0924
_diffrn_reflns_limit_h_max       11
_diffrn_reflns_limit_h_min       -11
_diffrn_reflns_limit_k_max       13
_diffrn_reflns_limit_k_min       -13
_diffrn_reflns_limit_l_max       11
_diffrn_reflns_limit_l_min       -16
_diffrn_reflns_number            7857
_diffrn_reflns_theta_full        25.02
_diffrn_reflns_theta_max         25.02
_diffrn_reflns_theta_min         2.09
_exptl_absorpt_coefficient_mu    2.158
_exptl_absorpt_correction_T_max  0.8814
_exptl_absorpt_correction_T_min  0.7378
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   sadabs
_exptl_crystal_colour            yellow
_exptl_crystal_density_diffrn    1.725
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       block
_exptl_crystal_F_000             798
_exptl_crystal_size_max          0.15
_exptl_crystal_size_mid          0.11
_exptl_crystal_size_min          0.06
_refine_diff_density_max         2.344
_refine_diff_density_min         -2.521
_refine_diff_density_rms         0.207
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.078
_refine_ls_hydrogen_treatment    mixed
_refine_ls_matrix_type           full
_refine_ls_number_parameters     433
_refine_ls_number_reflns         5367
_refine_ls_number_restraints     306
_refine_ls_restrained_S_all      1.051
_refine_ls_R_factor_all          0.0990
_refine_ls_R_factor_gt           0.0777
_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)+(0.1232P)²+1.7853P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1993
_refine_ls_wR_factor_ref         0.2113
_reflns_number_gt                4091
_reflns_number_total             5367
_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            d5dt00963d2.cif
_cod_data_source_block           220602d
_cod_depositor_comments
;
The following automatic conversions were performed:

data item '_symmetry_cell_setting' value 'Triclinic' was changed to
'triclinic' in accordance with the
/home/data/users/saulius/crontab/automatic-downloads/rss-feeds/RSC/lib/dictionaries/cif_core.dic
dictionary named 'cif_core.dic' version 2.4.2 last updated on
2011-04-26.

Automatic conversion script
Id: cif_fix_values 8170 2020-07-09 18:12:32Z antanas 

 Adding full bibliography for 7718766--7718775.cif.
;
_cod_original_sg_symbol_H-M      P-1
_cod_database_code               7718768
loop_
_symmetry_equiv_pos_as_xyz
'x, y, z'
'-x, -y, -z'
loop_
_atom_site_label
_atom_site_type_symbol
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_U_iso_or_equiv
_atom_site_adp_type
_atom_site_occupancy
_atom_site_symmetry_multiplicity
_atom_site_calc_flag
_atom_site_refinement_flags
_atom_site_disorder_assembly
_atom_site_disorder_group
Eu1 Eu 0.31508(6) 0.29301(5) 0.69140(4) 0.0355(2) Uani 1 1 d . . .
N1 N 0.2580(9) 0.2434(7) 0.5060(6) 0.0351(19) Uani 1 1 d . . .
N2 N 0.1102(10) 0.2534(9) 0.3668(7) 0.049(2) Uani 1 1 d . . .
N3 N 0.3243(10) 0.1653(8) 0.3530(6) 0.043(2) Uani 1 1 d . . .
N4 N 0.0838(9) 0.3605(8) 0.6184(6) 0.038(2) Uani 1 1 d . . .
N5 N 0.5066(10) 0.1982(8) 0.5907(6) 0.041(2) Uani 1 1 d . . .
N6 N 0.2556(16) 0.1047(15) 0.1487(13) 0.092(4) Uani 0.740(13) 1 d PDU A 1
N6' N 0.294(5) 0.142(3) 0.153(4) 0.092(4) Uani 0.260(13) 1 d PD A 2
N7 N 0.4485(10) 0.1456(10) 0.8182(8) 0.049(2) Uani 1 1 d . . .
N8 N 0.4998(11) 0.4984(9) 0.6596(7) 0.050(2) Uani 1 1 d . . .
N9 N 0.0804(11) 0.1264(10) 0.7203(8) 0.054(3) Uani 1 1 d . . .
O1 O 0.2853(8) 0.4471(7) 0.8199(6) 0.051(2) Uani 1 1 d . . .
O2 O 0.2214(10) 0.5672(9) 0.9656(6) 0.072(3) Uani 1 1 d . . .
O3 O 0.3701(11) 0.6671(9) 0.8568(8) 0.074(3) Uani 1 1 d . . .
O4 O 0.4666(10) 0.2564(8) 0.8327(6) 0.060(2) Uani 1 1 d . . .
O5 O 0.3768(10) 0.0942(8) 0.7415(7) 0.057(2) Uani 1 1 d . . .
O6 O 0.5013(13) 0.0929(10) 0.8768(8) 0.089(3) Uani 1 1 d . . .
O7 O 0.5431(8) 0.4367(7) 0.7197(7) 0.053(2) Uani 1 1 d . . .
O8 O 0.3754(9) 0.4684(8) 0.6199(6) 0.055(2) Uani 1 1 d . . .
O9 O 0.5741(11) 0.5832(9) 0.6435(9) 0.081(3) Uani 1 1 d . . .
O10 O 0.1314(9) 0.2149(8) 0.7825(6) 0.054(2) Uani 1 1 d . . .
O11 O 0.1246(9) 0.1177(7) 0.6359(6) 0.052(2) Uani 1 1 d . . .
O12 O -0.0100(12) 0.0536(11) 0.7349(9) 0.092(4) Uani 1 1 d . . .
P1 P 0.3397(3) 0.5511(3) 0.8961(2) 0.0487(8) Uani 1 1 d . . .
C1 C 0.5018(13) 0.5441(12) 0.9644(9) 0.057(3) Uani 1 1 d . . .
H1A H 0.5704 0.5227 0.9201 0.069 Uiso 1 1 calc R . .
H1B H 0.5342 0.6222 1.0012 0.069 Uiso 1 1 calc R . .
C2 C 0.1435(11) 0.2719(9) 0.4627(8) 0.038(2) Uani 1 1 d . . .
C3 C 0.2050(13) 0.2027(11) 0.3143(9) 0.052(3) Uani 1 1 d . A .
C4 C 0.3497(11) 0.1930(9) 0.4477(7) 0.034(2) Uani 1 1 d . . .
C5 C 0.0403(11) 0.3313(9) 0.5232(7) 0.034(2) Uani 1 1 d . . .
C6 C -0.0864(11) 0.3571(10) 0.4832(8) 0.041(3) Uani 1 1 d . . .
H6 H -0.1125 0.3357 0.4172 0.049 Uiso 1 1 calc R . .
C7 C -0.1750(13) 0.4159(11) 0.5432(10) 0.052(3) Uani 1 1 d . . .
H7 H -0.2626 0.4319 0.5185 0.063 Uiso 1 1 calc R . .
C8 C -0.1298(12) 0.4497(11) 0.6398(10) 0.048(3) Uani 1 1 d . . .
H8 H -0.1847 0.4920 0.6812 0.057 Uiso 1 1 calc R . .
C9 C -0.0001(12) 0.4194(10) 0.6748(9) 0.045(3) Uani 1 1 d . . .
H9 H 0.0290 0.4414 0.7404 0.054 Uiso 1 1 calc R . .
C10 C 0.4832(11) 0.1659(9) 0.4927(8) 0.039(2) Uani 1 1 d . . .
C11 C 0.5822(13) 0.1120(10) 0.4380(9) 0.049(3) Uani 1 1 d . . .
H11 H 0.5638 0.0908 0.3713 0.059 Uiso 1 1 calc R . .
C12 C 0.7065(13) 0.0910(11) 0.4838(11) 0.057(3) Uani 1 1 d . . .
H12 H 0.7737 0.0552 0.4491 0.068 Uiso 1 1 calc R . .
C13 C 0.7296(12) 0.1242(11) 0.5830(11) 0.058(3) Uani 1 1 d . . .
H13 H 0.8127 0.1099 0.6156 0.070 Uiso 1 1 calc R . .
C14 C 0.6310(12) 0.1779(11) 0.6333(10) 0.052(3) Uani 1 1 d . . .
H14 H 0.6504 0.2015 0.6997 0.063 Uiso 1 1 calc R . .
C15 C 0.1927(13) 0.1900(12) 0.2072(9) 0.079(3) Uani 1 1 d DU . .
C16 C 0.1236(17) 0.2790(15) 0.1766(11) 0.079(3) Uani 0.740(13) 1 d PDU A 1
H16 H 0.0833 0.3339 0.2189 0.095 Uiso 0.740(13) 1 calc PR A 1
C17 C 0.119(2) 0.2808(19) 0.0795(10) 0.088(3) Uani 0.740(13) 1 d PDU A 1
H17 H 0.0731 0.3393 0.0565 0.106 Uiso 0.740(13) 1 calc PR A 1
C18 C 0.1769(19) 0.2013(18) 0.0140(14) 0.090(3) Uani 0.740(13) 1 d PDU A 1
H18 H 0.1725 0.2051 -0.0511 0.108 Uiso 0.740(13) 1 calc PR A 1
C19 C 0.242(2) 0.115(2) 0.0518(15) 0.090(3) Uani 0.740(13) 1 d PDU A 1
H19 H 0.2809 0.0601 0.0089 0.108 Uiso 0.740(13) 1 calc PR A 1
C16' C 0.057(2) 0.187(4) 0.163(3) 0.079(3) Uani 0.260(13) 1 d PDU A 2
H16' H -0.0136 0.2176 0.1965 0.095 Uiso 0.260(13) 1 calc PR A 2
C17' C 0.031(6) 0.135(5) 0.066(3) 0.088(3) Uani 0.260(13) 1 d PDU A 2
H17' H -0.0592 0.1321 0.0344 0.106 Uiso 0.260(13) 1 calc PR A 2
C18' C 0.135(5) 0.088(5) 0.013(4) 0.090(3) Uani 0.260(13) 1 d PDU A 2
H18' H 0.1126 0.0544 -0.0514 0.108 Uiso 0.260(13) 1 calc PR A 2
C19' C 0.272(6) 0.090(5) 0.056(4) 0.090(3) Uani 0.260(13) 1 d PDU A 2
H19' H 0.3423 0.0587 0.0219 0.108 Uiso 0.260(13) 1 calc PR A 2
C20 C 0.2226(19) 0.6776(17) 1.0367(12) 0.093(5) Uani 1 1 d U . .
H20A H 0.1761 0.7353 1.0074 0.111 Uiso 1 1 calc R . .
H20B H 0.3183 0.7103 1.0605 0.111 Uiso 1 1 calc R . .
C21 C 0.146(2) 0.646(2) 1.1168(13) 0.120(7) Uani 1 1 d U . .
H21A H 0.0972 0.5682 1.0969 0.180 Uiso 1 1 calc R . .
H21B H 0.0796 0.7014 1.1328 0.180 Uiso 1 1 calc R . .
H21C H 0.2119 0.6477 1.1722 0.180 Uiso 1 1 calc R . .
C22 C 0.268(2) 0.7045(16) 0.7845(14) 0.099(5) Uani 1 1 d U . .
H22A H 0.2916 0.6761 0.7200 0.119 Uiso 1 1 calc R . .
H22B H 0.1739 0.6704 0.7894 0.119 Uiso 1 1 calc R . .
C23 C 0.273(3) 0.8258(18) 0.8013(17) 0.135(8) Uani 1 1 d U . .
H23A H 0.3430 0.8589 0.8544 0.203 Uiso 1 1 calc R . .
H23B H 0.1833 0.8487 0.8163 0.203 Uiso 1 1 calc R . .
H23C H 0.2976 0.8542 0.7447 0.203 Uiso 1 1 calc R . .
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'
Eu Eu -0.1578 3.6682 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
loop_
_geom_angle_atom_site_label_1
_geom_angle_atom_site_label_2
_geom_angle_atom_site_label_3
_geom_angle
_geom_angle_site_symmetry_1
_geom_angle_site_symmetry_3
_geom_angle_publ_flag
O1 Eu1 O8 79.0(3) . . ?
O1 Eu1 O10 73.1(3) . . ?
O8 Eu1 O10 139.5(3) . . ?
O1 Eu1 O4 74.9(3) . . ?
O8 Eu1 O4 119.9(3) . . ?
O10 Eu1 O4 80.4(3) . . ?
O1 Eu1 O11 120.7(3) . . ?
O8 Eu1 O11 131.0(3) . . ?
O10 Eu1 O11 50.9(3) . . ?
O4 Eu1 O11 108.9(3) . . ?
O1 Eu1 N1 137.8(3) . . ?
O8 Eu1 N1 69.4(3) . . ?
O10 Eu1 N1 114.9(3) . . ?
O4 Eu1 N1 145.7(3) . . ?
O11 Eu1 N1 67.6(3) . . ?
O1 Eu1 O7 73.4(3) . . ?
O8 Eu1 O7 50.1(3) . . ?
O10 Eu1 O7 140.3(3) . . ?
O4 Eu1 O7 70.7(3) . . ?
O11 Eu1 O7 165.7(3) . . ?
N1 Eu1 O7 104.2(3) . . ?
O1 Eu1 N4 81.2(3) . . ?
O8 Eu1 N4 71.2(3) . . ?
O10 Eu1 N4 76.0(3) . . ?
O4 Eu1 N4 150.3(3) . . ?
O11 Eu1 N4 68.9(3) . . ?
N1 Eu1 N4 62.7(3) . . ?
O7 Eu1 N4 118.9(3) . . ?
O1 Eu1 N5 142.5(3) . . ?
O8 Eu1 N5 85.0(3) . . ?
O10 Eu1 N5 134.2(3) . . ?
O4 Eu1 N5 84.4(3) . . ?
O11 Eu1 N5 95.4(3) . . ?
N1 Eu1 N5 62.6(3) . . ?
O7 Eu1 N5 70.3(3) . . ?
N4 Eu1 N5 125.0(3) . . ?
O1 Eu1 O5 115.7(3) . . ?
O8 Eu1 O5 151.2(3) . . ?
O10 Eu1 O5 69.0(3) . . ?
O4 Eu1 O5 49.3(3) . . ?
O11 Eu1 O5 64.9(3) . . ?
N1 Eu1 O5 105.2(3) . . ?
O7 Eu1 O5 108.0(3) . . ?
N4 Eu1 O5 133.0(3) . . ?
N5 Eu1 O5 68.3(3) . . ?
C2 N1 C4 116.2(9) . . ?
C2 N1 Eu1 121.9(7) . . ?
C4 N1 Eu1 121.8(7) . . ?
C3 N2 C2 115.3(10) . . ?
C4 N3 C3 115.5(10) . . ?
C9 N4 C5 117.4(9) . . ?
C9 N4 Eu1 121.1(7) . . ?
C5 N4 Eu1 121.5(6) . . ?
C14 N5 C10 117.1(10) . . ?
C14 N5 Eu1 121.7(8) . . ?
C10 N5 Eu1 121.2(7) . . ?
C15 N6 C19 113(2) . . ?
C15 N6' C19' 125(5) . . ?
O6 N7 O5 122.8(12) . . ?
O6 N7 O4 120.0(11) . . ?
O5 N7 O4 117.1(10) . . ?
O9 N8 O8 122.7(11) . . ?
O9 N8 O7 121.6(11) . . ?
O8 N8 O7 115.7(10) . . ?
O12 N9 O10 123.3(12) . . ?
O12 N9 O11 120.0(12) . . ?
O10 N9 O11 116.6(10) . . ?
P1 O1 Eu1 152.4(5) . . ?
C20 O2 P1 120.8(10) . . ?
C22 O3 P1 122.1(11) . . ?
N7 O4 Eu1 100.0(7) . . ?
N7 O5 Eu1 93.2(7) . . ?
N8 O7 Eu1 94.4(6) . . ?
N8 O8 Eu1 99.8(7) . . ?
N9 O10 Eu1 98.6(6) . . ?
N9 O11 Eu1 93.3(7) . . ?
O1 P1 O3 113.8(6) . . ?
O1 P1 O2 105.5(5) . . ?
O3 P1 O2 109.1(6) . . ?
O1 P1 C1 117.2(6) . . ?
O3 P1 C1 101.8(6) . . ?
O2 P1 C1 109.3(6) . . ?
C1 C1 P1 115.7(11) 2_667 . ?
C1 C1 H1A 108.4 2_667 . ?
P1 C1 H1A 108.4 . . ?
C1 C1 H1B 108.4 2_667 . ?
P1 C1 H1B 108.4 . . ?
H1A C1 H1B 107.4 . . ?
N1 C2 N2 125.0(10) . . ?
N1 C2 C5 118.7(10) . . ?
N2 C2 C5 116.3(10) . . ?
N2 C3 N3 123.9(11) . . ?
N2 C3 C15 121.9(11) . . ?
N3 C3 C15 114.2(10) . . ?
N3 C4 N1 123.7(10) . . ?
N3 C4 C10 118.0(9) . . ?
N1 C4 C10 118.2(9) . . ?
N4 C5 C6 123.1(10) . . ?
N4 C5 C2 114.9(9) . . ?
C6 C5 C2 122.0(10) . . ?
C5 C6 C7 119.0(11) . . ?
C5 C6 H6 120.5 . . ?
C7 C6 H6 120.5 . . ?
C8 C7 C6 118.5(11) . . ?
C8 C7 H7 120.8 . . ?
C6 C7 H7 120.8 . . ?
C7 C8 C9 119.0(11) . . ?
C7 C8 H8 120.5 . . ?
C9 C8 H8 120.5 . . ?
N4 C9 C8 123.0(11) . . ?
N4 C9 H9 118.5 . . ?
C8 C9 H9 118.5 . . ?
N5 C10 C11 122.0(10) . . ?
N5 C10 C4 116.1(9) . . ?
C11 C10 C4 121.8(10) . . ?
C12 C11 C10 119.2(12) . . ?
C12 C11 H11 120.4 . . ?
C10 C11 H11 120.4 . . ?
C11 C12 C13 118.4(11) . . ?
C11 C12 H12 120.8 . . ?
C13 C12 H12 120.8 . . ?
C14 C13 C12 120.4(12) . . ?
C14 C13 H13 119.8 . . ?
C12 C13 H13 119.8 . . ?
N5 C14 C13 122.8(12) . . ?
N5 C14 H14 118.6 . . ?
C13 C14 H14 118.6 . . ?
C16 C15 C16' 50.0(18) . . ?
C16 C15 N6' 119(2) . . ?
C16' C15 N6' 119(3) . . ?
C16 C15 N6 125.7(16) . . ?
C16' C15 N6 106(2) . . ?
N6' C15 N6 22(2) . . ?
C16 C15 C3 111.5(11) . . ?
C16' C15 C3 115(2) . . ?
N6' C15 C3 122(3) . . ?
N6 C15 C3 122.5(14) . . ?
C17 C16 C15 115.6(17) . . ?
C17 C16 H16 122.2 . . ?
C15 C16 H16 122.2 . . ?
C16 C17 C18 124(2) . . ?
C16 C17 H17 117.9 . . ?
C18 C17 H17 117.9 . . ?
C17 C18 C19 116(2) . . ?
C17 C18 H18 122.2 . . ?
C19 C18 H18 122.2 . . ?
C18 C19 N6 126(2) . . ?
C18 C19 H19 117.1 . . ?
N6 C19 H19 117.1 . . ?
C17' C16' C15 118(4) . . ?
C17' C16' H16' 121.2 . . ?
C15 C16' H16' 121.2 . . ?
C16' C17' C18' 122(5) . . ?
C16' C17' H17' 118.9 . . ?
C18' C17' H17' 118.9 . . ?
C17' C18' C19' 122(6) . . ?
C17' C18' H18' 119.2 . . ?
C19' C18' H18' 119.2 . . ?
C18' C19' N6' 115(6) . . ?
C18' C19' H19' 122.6 . . ?
N6' C19' H19' 122.6 . . ?
O2 C20 C21 106.4(16) . . ?
O2 C20 H20A 110.5 . . ?
C21 C20 H20A 110.5 . . ?
O2 C20 H20B 110.5 . . ?
C21 C20 H20B 110.5 . . ?
H20A C20 H20B 108.6 . . ?
C20 C21 H21A 109.5 . . ?
C20 C21 H21B 109.5 . . ?
H21A C21 H21B 109.5 . . ?
C20 C21 H21C 109.5 . . ?
H21A C21 H21C 109.5 . . ?
H21B C21 H21C 109.5 . . ?
C23 C22 O3 109.9(17) . . ?
C23 C22 H22A 109.7 . . ?
O3 C22 H22A 109.7 . . ?
C23 C22 H22B 109.7 . . ?
O3 C22 H22B 109.7 . . ?
H22A C22 H22B 108.2 . . ?
C22 C23 H23A 109.5 . . ?
C22 C23 H23B 109.5 . . ?
H23A C23 H23B 109.5 . . ?
C22 C23 H23C 109.5 . . ?
H23A C23 H23C 109.5 . . ?
H23B C23 H23C 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 O1 2.371(7) . ?
Eu1 O8 2.481(9) . ?
Eu1 O10 2.483(8) . ?
Eu1 O4 2.492(8) . ?
Eu1 O11 2.572(8) . ?
Eu1 N1 2.586(9) . ?
Eu1 O7 2.588(8) . ?
Eu1 N4 2.610(9) . ?
Eu1 N5 2.631(9) . ?
Eu1 O5 2.635(8) . ?
N1 C2 1.310(14) . ?
N1 C4 1.362(13) . ?
N2 C3 1.339(15) . ?
N2 C2 1.343(14) . ?
N3 C4 1.319(14) . ?
N3 C3 1.366(15) . ?
N4 C9 1.334(14) . ?
N4 C5 1.351(13) . ?
N5 C14 1.349(15) . ?
N5 C10 1.366(14) . ?
N6 C15 1.392(9) . ?
N6 C19 1.399(9) . ?
N6' C15 1.391(10) . ?
N6' C19' 1.393(10) . ?
N7 O6 1.220(13) . ?
N7 O5 1.253(13) . ?
N7 O4 1.260(13) . ?
N8 O9 1.232(13) . ?
N8 O8 1.265(13) . ?
N8 O7 1.273(12) . ?
N9 O12 1.216(13) . ?
N9 O10 1.257(14) . ?
N9 O11 1.297(13) . ?
O1 P1 1.489(8) . ?
O2 C20 1.481(18) . ?
O2 P1 1.574(9) . ?
O3 C22 1.500(19) . ?
O3 P1 1.563(10) . ?
P1 C1 1.776(13) . ?
C1 C1 1.56(3) 2_667 ?
C1 H1A 0.9700 . ?
C1 H1B 0.9700 . ?
C2 C5 1.504(14) . ?
C3 C15 1.494(17) . ?
C4 C10 1.466(15) . ?
C5 C6 1.377(15) . ?
C6 C7 1.394(17) . ?
C6 H6 0.9300 . ?
C7 C8 1.374(18) . ?
C7 H7 0.9300 . ?
C8 C9 1.397(16) . ?
C8 H8 0.9300 . ?
C9 H9 0.9300 . ?
C10 C11 1.403(15) . ?
C11 C12 1.371(18) . ?
C11 H11 0.9300 . ?
C12 C13 1.382(19) . ?
C12 H12 0.9300 . ?
C13 C14 1.367(17) . ?
C13 H13 0.9300 . ?
C14 H14 0.9300 . ?
C15 C16 1.389(9) . ?
C15 C16' 1.391(10) . ?
C16 C17 1.379(9) . ?
C16 H16 0.9300 . ?
C17 C18 1.382(10) . ?
C17 H17 0.9300 . ?
C18 C19 1.384(10) . ?
C18 H18 0.9300 . ?
C19 H19 0.9300 . ?
C16' C17' 1.390(10) . ?
C16' H16' 0.9300 . ?
C17' C18' 1.391(10) . ?
C17' H17' 0.9300 . ?
C18' C19' 1.392(10) . ?
C18' H18' 0.9300 . ?
C19' H19' 0.9300 . ?
C20 C21 1.49(2) . ?
C20 H20A 0.9700 . ?
C20 H20B 0.9700 . ?
C21 H21A 0.9600 . ?
C21 H21B 0.9600 . ?
C21 H21C 0.9600 . ?
C22 C23 1.38(2) . ?
C22 H22A 0.9700 . ?
C22 H22B 0.9700 . ?
C23 H23A 0.9600 . ?
C23 H23B 0.9600 . ?
C23 H23C 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_2
_geom_torsion_site_symmetry_3
_geom_torsion_site_symmetry_4
_geom_torsion_publ_flag
O1 Eu1 N1 C2 -35.6(10) . . . . ?
O8 Eu1 N1 C2 -79.8(8) . . . . ?
O10 Eu1 N1 C2 56.4(8) . . . . ?
O4 Eu1 N1 C2 166.9(7) . . . . ?
O11 Eu1 N1 C2 75.9(8) . . . . ?
O7 Eu1 N1 C2 -116.5(8) . . . . ?
N4 Eu1 N1 C2 -1.0(7) . . . . ?
N5 Eu1 N1 C2 -175.0(9) . . . . ?
O5 Eu1 N1 C2 129.9(8) . . . . ?
O1 Eu1 N1 C4 140.1(7) . . . . ?
O8 Eu1 N1 C4 95.9(8) . . . . ?
O10 Eu1 N1 C4 -127.9(7) . . . . ?
O4 Eu1 N1 C4 -17.4(10) . . . . ?
O11 Eu1 N1 C4 -108.4(8) . . . . ?
O7 Eu1 N1 C4 59.2(8) . . . . ?
N4 Eu1 N1 C4 174.7(8) . . . . ?
N5 Eu1 N1 C4 0.7(7) . . . . ?
O5 Eu1 N1 C4 -54.4(8) . . . . ?
O1 Eu1 N4 C9 -21.9(8) . . . . ?
O8 Eu1 N4 C9 -103.2(9) . . . . ?
O10 Eu1 N4 C9 52.8(8) . . . . ?
O4 Eu1 N4 C9 14.6(12) . . . . ?
O11 Eu1 N4 C9 105.9(9) . . . . ?
N1 Eu1 N4 C9 -179.2(9) . . . . ?
O7 Eu1 N4 C9 -87.4(9) . . . . ?
N5 Eu1 N4 C9 -172.6(8) . . . . ?
O5 Eu1 N4 C9 95.3(9) . . . . ?
O1 Eu1 N4 C5 162.1(8) . . . . ?
O8 Eu1 N4 C5 80.8(8) . . . . ?
O10 Eu1 N4 C5 -123.2(8) . . . . ?
O4 Eu1 N4 C5 -161.5(7) . . . . ?
O11 Eu1 N4 C5 -70.2(8) . . . . ?
N1 Eu1 N4 C5 4.8(7) . . . . ?
O7 Eu1 N4 C5 96.6(8) . . . . ?
N5 Eu1 N4 C5 11.4(9) . . . . ?
O5 Eu1 N4 C5 -80.8(8) . . . . ?
O1 Eu1 N5 C14 44.8(11) . . . . ?
O8 Eu1 N5 C14 109.4(9) . . . . ?
O10 Eu1 N5 C14 -82.1(10) . . . . ?
O4 Eu1 N5 C14 -11.3(9) . . . . ?
O11 Eu1 N5 C14 -119.8(9) . . . . ?
N1 Eu1 N5 C14 178.8(10) . . . . ?
O7 Eu1 N5 C14 60.2(9) . . . . ?
N4 Eu1 N5 C14 172.2(8) . . . . ?
O5 Eu1 N5 C14 -59.6(9) . . . . ?
O1 Eu1 N5 C10 -136.1(8) . . . . ?
O8 Eu1 N5 C10 -71.5(8) . . . . ?
O10 Eu1 N5 C10 97.0(8) . . . . ?
O4 Eu1 N5 C10 167.8(8) . . . . ?
O11 Eu1 N5 C10 59.3(8) . . . . ?
N1 Eu1 N5 C10 -2.1(7) . . . . ?
O7 Eu1 N5 C10 -120.7(8) . . . . ?
N4 Eu1 N5 C10 -8.7(9) . . . . ?
O5 Eu1 N5 C10 119.5(8) . . . . ?
O8 Eu1 O1 P1 -65.5(12) . . . . ?
O10 Eu1 O1 P1 144.2(12) . . . . ?
O4 Eu1 O1 P1 59.9(11) . . . . ?
O11 Eu1 O1 P1 163.1(11) . . . . ?
N1 Eu1 O1 P1 -107.2(11) . . . . ?
O7 Eu1 O1 P1 -14.1(11) . . . . ?
N4 Eu1 O1 P1 -137.8(12) . . . . ?
N5 Eu1 O1 P1 1.0(14) . . . . ?
O5 Eu1 O1 P1 88.4(12) . . . . ?
O6 N7 O4 Eu1 -175.9(10) . . . . ?
O5 N7 O4 Eu1 5.0(11) . . . . ?
O1 Eu1 O4 N7 142.7(7) . . . . ?
O8 Eu1 O4 N7 -149.9(6) . . . . ?
O10 Eu1 O4 N7 67.7(7) . . . . ?
O11 Eu1 O4 N7 24.9(8) . . . . ?
N1 Eu1 O4 N7 -52.8(10) . . . . ?
O7 Eu1 O4 N7 -139.9(8) . . . . ?
N4 Eu1 O4 N7 105.3(8) . . . . ?
N5 Eu1 O4 N7 -68.9(7) . . . . ?
O5 Eu1 O4 N7 -2.8(6) . . . . ?
O6 N7 O5 Eu1 176.3(11) . . . . ?
O4 N7 O5 Eu1 -4.7(10) . . . . ?
O1 Eu1 O5 N7 -34.6(7) . . . . ?
O8 Eu1 O5 N7 81.3(8) . . . . ?
O10 Eu1 O5 N7 -92.6(7) . . . . ?
O4 Eu1 O5 N7 2.8(6) . . . . ?
O11 Eu1 O5 N7 -148.1(7) . . . . ?
N1 Eu1 O5 N7 156.2(6) . . . . ?
O7 Eu1 O5 N7 45.2(7) . . . . ?
N4 Eu1 O5 N7 -137.2(6) . . . . ?
N5 Eu1 O5 N7 104.5(7) . . . . ?
O9 N8 O7 Eu1 -179.0(10) . . . . ?
O8 N8 O7 Eu1 2.6(10) . . . . ?
O1 Eu1 O7 N8 -90.9(6) . . . . ?
O8 Eu1 O7 N8 -1.6(6) . . . . ?
O10 Eu1 O7 N8 -124.6(7) . . . . ?
O4 Eu1 O7 N8 -170.3(7) . . . . ?
O11 Eu1 O7 N8 98.8(12) . . . . ?
N1 Eu1 O7 N8 45.2(7) . . . . ?
N4 Eu1 O7 N8 -21.2(7) . . . . ?
N5 Eu1 O7 N8 98.7(7) . . . . ?
O5 Eu1 O7 N8 156.8(6) . . . . ?
O9 N8 O8 Eu1 178.8(10) . . . . ?
O7 N8 O8 Eu1 -2.7(10) . . . . ?
O1 Eu1 O8 N8 79.1(7) . . . . ?
O10 Eu1 O8 N8 126.0(7) . . . . ?
O4 Eu1 O8 N8 13.8(8) . . . . ?
O11 Eu1 O8 N8 -159.6(6) . . . . ?
N1 Eu1 O8 N8 -129.4(7) . . . . ?
O7 Eu1 O8 N8 1.6(6) . . . . ?
N4 Eu1 O8 N8 163.5(7) . . . . ?
N5 Eu1 O8 N8 -66.8(7) . . . . ?
O5 Eu1 O8 N8 -45.2(10) . . . . ?
O12 N9 O10 Eu1 174.9(11) . . . . ?
O11 N9 O10 Eu1 -8.0(11) . . . . ?
O1 Eu1 O10 N9 163.6(8) . . . . ?
O8 Eu1 O10 N9 115.1(7) . . . . ?
O4 Eu1 O10 N9 -119.4(7) . . . . ?
O11 Eu1 O10 N9 4.7(6) . . . . ?
N1 Eu1 O10 N9 28.2(8) . . . . ?
O7 Eu1 O10 N9 -162.7(6) . . . . ?
N4 Eu1 O10 N9 78.7(7) . . . . ?
N5 Eu1 O10 N9 -47.0(9) . . . . ?
O5 Eu1 O10 N9 -69.4(7) . . . . ?
O12 N9 O11 Eu1 -175.1(11) . . . . ?
O10 N9 O11 Eu1 7.7(10) . . . . ?
O1 Eu1 O11 N9 -28.1(7) . . . . ?
O8 Eu1 O11 N9 -130.8(6) . . . . ?
O10 Eu1 O11 N9 -4.5(6) . . . . ?
O4 Eu1 O11 N9 55.1(7) . . . . ?
N1 Eu1 O11 N9 -161.4(7) . . . . ?
O7 Eu1 O11 N9 141.0(10) . . . . ?
N4 Eu1 O11 N9 -93.3(6) . . . . ?
N5 Eu1 O11 N9 141.1(6) . . . . ?
O5 Eu1 O11 N9 78.1(6) . . . . ?
Eu1 O1 P1 O3 77.0(12) . . . . ?
Eu1 O1 P1 O2 -163.4(11) . . . . ?
Eu1 O1 P1 C1 -41.5(14) . . . . ?
C22 O3 P1 O1 45.8(13) . . . . ?
C22 O3 P1 O2 -71.7(13) . . . . ?
C22 O3 P1 C1 172.8(12) . . . . ?
C20 O2 P1 O1 -165.4(11) . . . . ?
C20 O2 P1 O3 -42.8(12) . . . . ?
C20 O2 P1 C1 67.8(13) . . . . ?
O1 P1 C1 C1 -70.0(14) . . . 2_667 ?
O3 P1 C1 C1 165.2(13) . . . 2_667 ?
O2 P1 C1 C1 49.9(15) . . . 2_667 ?
C4 N1 C2 N2 1.1(16) . . . . ?
Eu1 N1 C2 N2 177.0(8) . . . . ?
C4 N1 C2 C5 -178.2(9) . . . . ?
Eu1 N1 C2 C5 -2.2(13) . . . . ?
C3 N2 C2 N1 -0.6(17) . . . . ?
C3 N2 C2 C5 178.6(10) . . . . ?
C2 N2 C3 N3 3.6(18) . . . . ?
C2 N2 C3 C15 -172.1(11) . . . . ?
C4 N3 C3 N2 -6.8(17) . . . . ?
C4 N3 C3 C15 169.2(10) . . . . ?
C3 N3 C4 N1 7.3(15) . . . . ?
C3 N3 C4 C10 -173.9(9) . . . . ?
C2 N1 C4 N3 -4.7(15) . . . . ?
Eu1 N1 C4 N3 179.4(7) . . . . ?
C2 N1 C4 C10 176.4(9) . . . . ?
Eu1 N1 C4 C10 0.5(12) . . . . ?
C9 N4 C5 C6 -1.6(15) . . . . ?
Eu1 N4 C5 C6 174.6(8) . . . . ?
C9 N4 C5 C2 176.2(9) . . . . ?
Eu1 N4 C5 C2 -7.6(12) . . . . ?
N1 C2 C5 N4 6.4(14) . . . . ?
N2 C2 C5 N4 -172.9(9) . . . . ?
N1 C2 C5 C6 -175.8(10) . . . . ?
N2 C2 C5 C6 4.9(15) . . . . ?
N4 C5 C6 C7 -0.1(16) . . . . ?
C2 C5 C6 C7 -177.8(10) . . . . ?
C5 C6 C7 C8 2.3(17) . . . . ?
C6 C7 C8 C9 -2.8(18) . . . . ?
C5 N4 C9 C8 1.1(17) . . . . ?
Eu1 N4 C9 C8 -175.1(8) . . . . ?
C7 C8 C9 N4 1.1(18) . . . . ?
C14 N5 C10 C11 1.1(16) . . . . ?
Eu1 N5 C10 C11 -178.1(8) . . . . ?
C14 N5 C10 C4 -177.7(10) . . . . ?
Eu1 N5 C10 C4 3.1(12) . . . . ?
N3 C4 C10 N5 178.7(9) . . . . ?
N1 C4 C10 N5 -2.4(14) . . . . ?
N3 C4 C10 C11 -0.1(15) . . . . ?
N1 C4 C10 C11 178.8(10) . . . . ?
N5 C10 C11 C12 0.0(18) . . . . ?
C4 C10 C11 C12 178.7(11) . . . . ?
C10 C11 C12 C13 -0.2(19) . . . . ?
C11 C12 C13 C14 -1(2) . . . . ?
C10 N5 C14 C13 -2.0(18) . . . . ?
Eu1 N5 C14 C13 177.1(10) . . . . ?
C12 C13 C14 N5 2(2) . . . . ?
C19' N6' C15 C16 -58(2) . . . . ?
C19' N6' C15 C16' 0.0(6) . . . . ?
C19' N6' C15 N6 58(7) . . . . ?
C19' N6' C15 C3 156.4(19) . . . . ?
C19 N6 C15 C16 -0.4(5) . . . . ?
C19 N6 C15 C16' 51.1(18) . . . . ?
C19 N6 C15 N6' -79(8) . . . . ?
C19 N6 C15 C3 -174.2(14) . . . . ?
N2 C3 C15 C16 28.9(16) . . . . ?
N3 C3 C15 C16 -147.2(10) . . . . ?
N2 C3 C15 C16' -26(2) . . . . ?
N3 C3 C15 C16' 158(2) . . . . ?
N2 C3 C15 N6' 177(2) . . . . ?
N3 C3 C15 N6' 1(3) . . . . ?
N2 C3 C15 N6 -156.5(11) . . . . ?
N3 C3 C15 N6 27.4(16) . . . . ?
C16' C15 C16 C17 -80(3) . . . . ?
N6' C15 C16 C17 25(3) . . . . ?
N6 C15 C16 C17 -0.1(6) . . . . ?
C3 C15 C16 C17 174.3(13) . . . . ?
C15 C16 C17 C18 0.0(13) . . . . ?
C16 C17 C18 C19 0.5(17) . . . . ?
C17 C18 C19 N6 -1.1(17) . . . . ?
C15 N6 C19 C18 1.0(13) . . . . ?
C16 C15 C16' C17' 104(2) . . . . ?
N6' C15 C16' C17' 0.0(6) . . . . ?
N6 C15 C16' C17' -20(2) . . . . ?
C3 C15 C16' C17' -158.0(18) . . . . ?
C15 C16' C17' C18' 0.1(13) . . . . ?
C16' C17' C18' C19' 0.0(18) . . . . ?
C17' C18' C19' N6' -0.1(16) . . . . ?
C15 N6' C19' C18' 0.1(12) . . . . ?
P1 O2 C20 C21 -153.9(12) . . . . ?
P1 O3 C22 C23 146.0(17) . . . . ?
