#------------------------------------------------------------------------------
#$Date: 2020-07-22 08:03:52 +0300 (Wed, 22 Jul 2020) $
#$Revision: 254468 $
#$URL: file:///home/coder/svn-repositories/cod/cif/2/02/21/2022193.cif $
#------------------------------------------------------------------------------
#
# This file is available in the Crystallography Open Database (COD),
# http://www.crystallography.net/. The original data for this entry
# were provided by IUCr Journals, http://journals.iucr.org/.
#
# The file may be used within the scientific community so long as
# proper attribution is given to the journal article from which the
# data were obtained.
#
data_2022193
loop_
_publ_author_name
'Yang, Dong-Dong'
'Lu, Li-Ping'
'Zhu, Miao-Li'
_publ_section_title
;
 A new family of lanthanide coordination polymers based on
 3,3'-[(5-carboxylato-1,3-phenylene)bis(oxy)]dibenzoate: synthesis,
 crystal structures and magnetic and luminescence properties
;
_journal_coeditor_code           UK3197
_journal_issue                   8
_journal_name_full               'Acta Crystallographica Section C'
_journal_page_first
;
;
_journal_paper_doi               10.1107/S2053229620009547
_journal_volume                  76
_journal_year                    2020
_chemical_formula_iupac          '[Eu (C21 H11 O8) (C3 H7 N O)2]'
_chemical_formula_moiety         'C27 H25 Eu N2 O10'
_chemical_formula_sum            'C27 H25 Eu N2 O10'
_chemical_formula_weight         689.45
_chemical_name_systematic
Poly[{μ₅-3,3-[(5-carboxylato-1,3-phenylene)bis(oxy)]dibenzoato-κ⁶O¹:O^1'^:O³,O^3'^:O⁵:O^5'^}bis(N,N-dimethylformamide-κO)europium(III)]
_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   geom
_audit_creation_method           SHELXL-2018/3
_cell_angle_alpha                100.285(2)
_cell_angle_beta                 103.621(2)
_cell_angle_gamma                101.711(2)
_cell_formula_units_Z            2
_cell_length_a                   10.7597(5)
_cell_length_b                   10.9088(5)
_cell_length_c                   12.9291(6)
_cell_measurement_reflns_used    9953
_cell_measurement_temperature    298(2)
_cell_measurement_theta_max      27.72
_cell_measurement_theta_min      2.89
_cell_volume                     1402.73(11)
_computing_cell_refinement
;
SAINT (Bruker, 2009)
;
_computing_data_collection
;
APEX2 (Bruker, 2009)
;
_computing_data_reduction
;
SAINT (Bruker, 2009)
;
_computing_molecular_graphics
;
SHELXTL (Sheldrick 2008)
;
_computing_publication_material
;
SHELXTL (Sheldrick 2008)
;
_computing_structure_refinement
;
SHELXL2018 (Sheldrick, 2015)
;
_computing_structure_solution
;
SHELXS97 (Sheldrick 2008)
;
_diffrn_ambient_temperature      298(2)
_diffrn_measured_fraction_theta_full 0.998
_diffrn_measured_fraction_theta_max 0.998
_diffrn_measurement_device_type  'Bruker APEXII CCD'
_diffrn_measurement_method       'φ and ω scans'
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_reflns_av_R_equivalents  0.0296
_diffrn_reflns_av_unetI/netI     0.0301
_diffrn_reflns_limit_h_max       13
_diffrn_reflns_limit_h_min       -12
_diffrn_reflns_limit_k_max       13
_diffrn_reflns_limit_k_min       -13
_diffrn_reflns_limit_l_max       15
_diffrn_reflns_limit_l_min       -15
_diffrn_reflns_number            17116
_diffrn_reflns_theta_full        25.242
_diffrn_reflns_theta_max         25.499
_diffrn_reflns_theta_min         2.887
_exptl_absorpt_coefficient_mu    2.294
_exptl_absorpt_correction_T_max  0.746
_exptl_absorpt_correction_T_min  0.612
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details
;
(SADABS; Bruker, 2001)
;
_exptl_crystal_colour            colourless
_exptl_crystal_density_diffrn    1.632
_exptl_crystal_description       block
_exptl_crystal_F_000             688
_exptl_crystal_size_max          0.200
_exptl_crystal_size_mid          0.200
_exptl_crystal_size_min          0.180
_refine_diff_density_max         1.314
_refine_diff_density_min         -0.436
_refine_ls_extinction_coef       0.0031(2)
_refine_ls_extinction_expression Fc^*^=kFc[1+0.001xFc²λ³/sin(2θ)]^-1/4^
_refine_ls_extinction_method
;
SHELXL2018 (Sheldrick, 2015)
;
_refine_ls_goodness_of_fit_ref   1.066
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     364
_refine_ls_number_reflns         5200
_refine_ls_number_restraints     24
_refine_ls_restrained_S_all      1.066
_refine_ls_R_factor_all          0.0304
_refine_ls_R_factor_gt           0.0232
_refine_ls_shift/su_max          0.002
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'w=1/[σ²(Fo²)+(0.0161P)²+1.6288P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0482
_refine_ls_wR_factor_ref         0.0512
_reflns_number_gt                4628
_reflns_number_total             5200
_reflns_threshold_expression     'I > 2σ(I)'
_cod_data_source_file            uk3197sup1.cif
_cod_data_source_block           CP5-Eu
_cod_database_code               2022193
_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   0.657
_shelx_estimated_absorpt_t_max   0.683
loop_
_space_group_symop_operation_xyz
'x, y, z'
'-x, -y, -z'
loop_
_atom_site_type_symbol
_atom_site_label
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_U_iso_or_equiv
_atom_site_adp_type
_atom_site_calc_flag
_atom_site_occupancy
_atom_site_disorder_assembly
_atom_site_disorder_group
Eu Eu1 0.45935(2) 0.44029(2) 1.14376(2) 0.02232(6) Uani d 1 . .
C C1 0.2868(3) 0.3232(3) 0.8765(3) 0.0291(7) Uani d 1 . .
C C2 0.1519(3) 0.2549(3) 0.7970(2) 0.0244(6) Uani d 1 . .
C C3 0.0578(3) 0.1765(3) 0.8304(2) 0.0268(7) Uani d 1 . .
H H3 0.075950 0.165294 0.901585 0.032 Uiso calc 1 . .
C C4 -0.0639(3) 0.1155(3) 0.7549(2) 0.0262(7) Uani d 1 . .
C C5 -0.0934(3) 0.1325(3) 0.6494(3) 0.0302(7) Uani d 1 . .
H H5 -0.176284 0.092312 0.600394 0.036 Uiso calc 1 . .
C C6 0.0019(3) 0.2100(3) 0.6175(2) 0.0301(7) Uani d 1 . .
C C7 0.1250(3) 0.2712(3) 0.6907(2) 0.0286(7) Uani d 1 . .
H H7 0.189093 0.322862 0.668742 0.034 Uiso calc 1 . .
C C8 -0.1381(3) 0.1754(4) 0.4348(3) 0.0393(8) Uani d 1 . .
C C9 -0.1810(4) 0.0438(4) 0.3931(3) 0.0455(9) Uani d 1 . .
H H9 -0.130062 -0.009966 0.418175 0.055 Uiso calc 1 . .
C C10 -0.3011(4) -0.0070(4) 0.3131(3) 0.0441(9) Uani d 1 . .
H H10 -0.331658 -0.095746 0.285226 0.053 Uiso calc 1 . .
C C11 -0.3756(3) 0.0732(3) 0.2746(3) 0.0360(8) Uani d 1 . .
H H11 -0.457089 0.038464 0.222235 0.043 Uiso calc 1 . .
C C12 -0.3288(3) 0.2056(3) 0.3143(2) 0.0305(7) Uani d 1 . .
C C13 -0.4029(3) 0.2952(3) 0.2675(2) 0.0317(7) Uani d 1 . .
C C14 -0.2092(3) 0.2573(3) 0.3959(3) 0.0342(8) Uani d 1 . .
H H14 -0.177744 0.345955 0.423704 0.041 Uiso calc 1 . .
C C15 -0.2136(3) 0.0665(3) 0.8612(2) 0.0239(6) Uani d 1 . .
C C16 -0.2493(3) 0.1819(3) 0.8737(2) 0.0252(6) Uani d 1 . .
H H16 -0.228184 0.239250 0.831377 0.030 Uiso calc 1 . .
C C17 -0.3171(3) 0.2113(3) 0.9502(2) 0.0254(6) Uani d 1 . .
C C18 -0.3474(3) 0.1257(3) 1.0128(3) 0.0348(8) Uani d 1 . .
H H18 -0.392245 0.145455 1.064228 0.042 Uiso calc 1 . .
C C19 -0.3113(4) 0.0106(3) 0.9992(3) 0.0392(8) Uani d 1 . .
H H19 -0.332521 -0.046828 1.041397 0.047 Uiso calc 1 . .
C C20 -0.2440(3) -0.0198(3) 0.9236(3) 0.0315(7) Uani d 1 . .
H H20 -0.219465 -0.097165 0.914790 0.038 Uiso calc 1 . .
C C21 -0.3602(3) 0.3353(3) 0.9621(3) 0.0309(7) Uani d 1 . .
C C22 0.1636(4) 0.4162(4) 1.1889(4) 0.0548(11) Uani d 1 . .
H H22 0.183965 0.502437 1.186227 0.066 Uiso calc 1 . .
C C23 0.0044(5) 0.2321(5) 1.1929(6) 0.099(2) Uani d 1 . .
H H23A -0.026754 0.185428 1.117468 0.149 Uiso calc 1 . .
H H23B -0.065824 0.217024 1.226779 0.149 Uiso calc 1 . .
H H23C 0.077303 0.203484 1.230251 0.149 Uiso calc 1 . .
C C24 -0.0496(5) 0.4438(6) 1.2033(7) 0.122(3) Uani d 1 . .
H H24A -0.127879 0.390420 1.211146 0.183 Uiso calc 1 . .
H H24B -0.014290 0.517136 1.264658 0.183 Uiso calc 1 . .
H H24C -0.071216 0.472508 1.136853 0.183 Uiso calc 1 . .
C C25 0.5504(6) 0.6203(6) 1.4041(4) 0.0921(19) Uani d 1 . .
H H25 0.617283 0.578243 1.418935 0.111 Uiso calc 1 . .
C C26 0.6731(8) 0.7716(8) 1.5748(5) 0.172(4) Uani d 1 . .
H H26A 0.661017 0.849999 1.613517 0.259 Uiso calc 1 . .
H H26B 0.672416 0.710292 1.619544 0.259 Uiso calc 1 . .
H H26C 0.756332 0.789292 1.558029 0.259 Uiso calc 1 . .
C C27 0.4801(10) 0.8044(8) 1.4543(7) 0.174(4) Uani d 1 . .
H H27A 0.458706 0.804393 1.377956 0.261 Uiso calc 1 . .
H H27B 0.522761 0.890570 1.497295 0.261 Uiso calc 1 . .
H H27C 0.400542 0.772707 1.473278 0.261 Uiso calc 1 . .
N N2 0.5697(5) 0.7207(4) 1.4766(3) 0.0855(14) Uani d 1 . .
N N1 0.0479(3) 0.3705(3) 1.1991(3) 0.0570(9) Uani d 1 . .
O O1 0.3012(2) 0.3207(2) 0.97493(18) 0.0405(6) Uani d 1 . .
O O2 0.3732(2) 0.3758(2) 0.83679(19) 0.0383(6) Uani d 1 . .
O O3 -0.0155(2) 0.2320(3) 0.5133(2) 0.0527(7) Uani d 1 . .
O O4 -0.3453(2) 0.4115(2) 0.2834(2) 0.0450(6) Uani d 1 . .
O O5 -0.5215(2) 0.2482(2) 0.2099(2) 0.0418(6) Uani d 1 . .
O O6 -0.1567(2) 0.0255(2) 0.77993(18) 0.0354(5) Uani d 1 . .
O O7 -0.3395(2) 0.4045(2) 0.8971(2) 0.0424(6) Uani d 1 . .
O O8 -0.4145(2) 0.3624(2) 1.03549(19) 0.0464(6) Uani d 1 . .
O O9 0.2491(2) 0.3600(2) 1.1822(2) 0.0419(6) Uani d 1 . .
O O10 0.4684(3) 0.5667(3) 1.3222(2) 0.0668(9) Uani d 1 . .
loop_
_atom_type_symbol
_atom_type_description
_atom_type_scat_dispersion_real
_atom_type_scat_dispersion_imag
_atom_type_scat_source
C C 0.0033 0.0016 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
H H 0.0000 0.0000 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
N N 0.0061 0.0033 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
O O 0.0106 0.0060 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Eu Eu -0.1578 3.6682 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
loop_
_geom_angle_atom_site_label_1
_geom_angle_atom_site_label_2
_geom_angle_atom_site_label_3
_geom_angle_site_symmetry_1
_geom_angle_site_symmetry_3
_geom_angle
_geom_angle_publ_flag
O8 Eu1 O2 1_655 2_667 77.31(9) ?
O8 Eu1 O7 1_655 2_567 123.18(9) ?
O2 Eu1 O7 2_667 2_567 76.96(8) ?
O8 Eu1 O1 1_655 . 75.45(9) ?
O2 Eu1 O1 2_667 . 124.90(8) ?
O7 Eu1 O1 2_567 . 79.45(9) ?
O8 Eu1 O5 1_655 1_656 81.13(9) ?
O2 Eu1 O5 2_667 1_656 128.32(8) ?
O7 Eu1 O5 2_567 1_656 150.73(8) ?
O1 Eu1 O5 . 1_656 93.18(8) ?
O8 Eu1 O10 1_655 . 144.62(10) ?
O2 Eu1 O10 2_667 . 78.83(10) ?
O7 Eu1 O10 2_567 . 75.40(10) ?
O1 Eu1 O10 . . 139.92(9) ?
O5 Eu1 O10 1_656 . 93.79(10) ?
O8 Eu1 O9 1_655 . 137.42(9) ?
O2 Eu1 O9 2_667 . 144.71(9) ?
O7 Eu1 O9 2_567 . 76.59(8) ?
O1 Eu1 O9 . . 71.92(8) ?
O5 Eu1 O9 1_656 . 74.20(8) ?
O10 Eu1 O9 . . 72.20(9) ?
O8 Eu1 O4 1_655 1_656 76.83(9) ?
O2 Eu1 O4 2_667 1_656 76.89(8) ?
O7 Eu1 O4 2_567 1_656 141.79(8) ?
O1 Eu1 O4 . 1_656 138.71(8) ?
O5 Eu1 O4 1_656 1_656 52.54(7) ?
O10 Eu1 O4 . 1_656 72.57(10) ?
O9 Eu1 O4 . 1_656 111.94(8) ?
O8 Eu1 C13 1_655 1_656 75.70(9) ?
O2 Eu1 C13 2_667 1_656 102.17(9) ?
O7 Eu1 C13 2_567 1_656 159.50(9) ?
O1 Eu1 C13 . 1_656 115.86(9) ?
O5 Eu1 C13 1_656 1_656 26.44(8) ?
O10 Eu1 C13 . 1_656 84.30(10) ?
O9 Eu1 C13 . 1_656 94.68(9) ?
O4 Eu1 C13 1_656 1_656 26.24(8) ?
O8 Eu1 C21 1_655 2_567 105.10(9) ?
O2 Eu1 C21 2_667 2_567 65.05(8) ?
O7 Eu1 C21 2_567 2_567 18.76(8) ?
O1 Eu1 C21 . 2_567 77.28(8) ?
O5 Eu1 C21 1_656 2_567 166.59(8) ?
O10 Eu1 C21 . 2_567 87.79(10) ?
O9 Eu1 C21 . 2_567 93.69(8) ?
O4 Eu1 C21 1_656 2_567 139.97(8) ?
C13 Eu1 C21 1_656 2_567 166.16(9) ?
O8 Eu1 Eu1 1_655 2_667 51.79(6) ?
O2 Eu1 Eu1 2_667 2_667 59.28(6) ?
O7 Eu1 Eu1 2_567 2_667 71.50(6) ?
O1 Eu1 Eu1 . 2_667 66.18(6) ?
O5 Eu1 Eu1 1_656 2_667 131.28(6) ?
O10 Eu1 Eu1 . 2_667 130.96(8) ?
O9 Eu1 Eu1 . 2_667 130.77(6) ?
O4 Eu1 Eu1 1_656 2_667 116.42(6) ?
C13 Eu1 Eu1 1_656 2_667 126.09(7) ?
C21 Eu1 Eu1 2_567 2_667 53.33(6) ?
O1 C1 O2 . . 126.4(3) ?
O1 C1 C2 . . 117.0(3) ?
O2 C1 C2 . . 116.7(3) ?
C7 C2 C3 . . 120.9(3) ?
C7 C2 C1 . . 118.9(3) ?
C3 C2 C1 . . 120.2(3) ?
C4 C3 C2 . . 118.3(3) ?
C4 C3 H3 . . 120.9 ?
C2 C3 H3 . . 120.9 ?
C5 C4 C3 . . 121.7(3) ?
C5 C4 O6 . . 117.2(3) ?
C3 C4 O6 . . 120.8(3) ?
C6 C5 C4 . . 119.1(3) ?
C6 C5 H5 . . 120.5 ?
C4 C5 H5 . . 120.5 ?
C5 C6 C7 . . 120.6(3) ?
C5 C6 O3 . . 124.2(3) ?
C7 C6 O3 . . 115.3(3) ?
C6 C7 C2 . . 119.5(3) ?
C6 C7 H7 . . 120.3 ?
C2 C7 H7 . . 120.3 ?
C14 C8 C9 . . 121.5(3) ?
C14 C8 O3 . . 117.1(3) ?
C9 C8 O3 . . 121.2(3) ?
C8 C9 C10 . . 119.0(3) ?
C8 C9 H9 . . 120.5 ?
C10 C9 H9 . . 120.5 ?
C11 C10 C9 . . 120.4(3) ?
C11 C10 H10 . . 119.8 ?
C9 C10 H10 . . 119.8 ?
C10 C11 C12 . . 119.9(3) ?
C10 C11 H11 . . 120.1 ?
C12 C11 H11 . . 120.1 ?
C11 C12 C14 . . 120.0(3) ?
C11 C12 C13 . . 120.8(3) ?
C14 C12 C13 . . 119.2(3) ?
O4 C13 O5 . . 122.3(3) ?
O4 C13 C12 . . 119.7(3) ?
O5 C13 C12 . . 118.0(3) ?
O4 C13 Eu1 . 1_454 63.96(17) ?
O5 C13 Eu1 . 1_454 58.82(16) ?
C12 C13 Eu1 . 1_454 170.0(2) ?
C8 C14 C12 . . 119.1(3) ?
C8 C14 H14 . . 120.4 ?
C12 C14 H14 . . 120.4 ?
C16 C15 C20 . . 121.1(3) ?
C16 C15 O6 . . 122.4(3) ?
C20 C15 O6 . . 116.3(3) ?
C15 C16 C17 . . 119.3(3) ?
C15 C16 H16 . . 120.4 ?
C17 C16 H16 . . 120.4 ?
C18 C17 C16 . . 119.8(3) ?
C18 C17 C21 . . 120.5(3) ?
C16 C17 C21 . . 119.7(3) ?
C17 C18 C19 . . 120.2(3) ?
C17 C18 H18 . . 119.9 ?
C19 C18 H18 . . 119.9 ?
C20 C19 C18 . . 120.6(3) ?
C20 C19 H19 . . 119.7 ?
C18 C19 H19 . . 119.7 ?
C19 C20 C15 . . 119.0(3) ?
C19 C20 H20 . . 120.5 ?
C15 C20 H20 . . 120.5 ?
O8 C21 O7 . . 124.1(3) ?
O8 C21 C17 . . 118.2(3) ?
O7 C21 C17 . . 117.7(3) ?
O8 C21 Eu1 . 2_567 88.46(19) ?
O7 C21 Eu1 . 2_567 37.72(15) ?
C17 C21 Eu1 . 2_567 150.4(2) ?
O9 C22 N1 . . 127.7(4) ?
O9 C22 H22 . . 116.1 ?
N1 C22 H22 . . 116.1 ?
N1 C23 H23A . . 109.5 ?
N1 C23 H23B . . 109.5 ?
H23A C23 H23B . . 109.5 ?
N1 C23 H23C . . 109.5 ?
H23A C23 H23C . . 109.5 ?
H23B C23 H23C . . 109.5 ?
N1 C24 H24A . . 109.5 ?
N1 C24 H24B . . 109.5 ?
H24A C24 H24B . . 109.5 ?
N1 C24 H24C . . 109.5 ?
H24A C24 H24C . . 109.5 ?
H24B C24 H24C . . 109.5 ?
O10 C25 N2 . . 135.3(7) ?
O10 C25 H25 . . 112.4 ?
N2 C25 H25 . . 112.4 ?
N2 C26 H26A . . 109.5 ?
N2 C26 H26B . . 109.5 ?
H26A C26 H26B . . 109.5 ?
N2 C26 H26C . . 109.5 ?
H26A C26 H26C . . 109.5 ?
H26B C26 H26C . . 109.5 ?
N2 C27 H27A . . 109.5 ?
N2 C27 H27B . . 109.5 ?
H27A C27 H27B . . 109.5 ?
N2 C27 H27C . . 109.5 ?
H27A C27 H27C . . 109.5 ?
H27B C27 H27C . . 109.5 ?
C25 N2 C26 . . 128.8(7) ?
C25 N2 C27 . . 117.0(6) ?
C26 N2 C27 . . 114.0(6) ?
C22 N1 C24 . . 124.0(4) ?
C22 N1 C23 . . 118.9(4) ?
C24 N1 C23 . . 116.7(4) ?
C1 O1 Eu1 . . 134.7(2) ?
C1 O2 Eu1 . 2_667 146.0(2) ?
C6 O3 C8 . . 118.9(3) ?
C13 O4 Eu1 . 1_454 89.79(18) ?
C13 O5 Eu1 . 1_454 94.74(19) ?
C15 O6 C4 . . 118.9(2) ?
C21 O7 Eu1 . 2_567 123.5(2) ?
C21 O8 Eu1 . 1_455 166.0(2) ?
C22 O9 Eu1 . . 127.6(2) ?
C25 O10 Eu1 . . 136.5(4) ?
loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_site_symmetry_2
_geom_bond_distance
_geom_bond_publ_flag
Eu1 O8 1_655 2.337(2) ?
Eu1 O2 2_667 2.339(2) ?
Eu1 O7 2_567 2.386(2) ?
Eu1 O1 . 2.386(2) ?
Eu1 O5 1_656 2.428(2) ?
Eu1 O10 . 2.437(3) ?
Eu1 O9 . 2.452(2) ?
Eu1 O4 1_656 2.541(2) ?
Eu1 C13 1_656 2.828(3) ?
Eu1 C21 2_567 3.251(3) ?
Eu1 Eu1 2_667 4.3681(4) ?
C1 O1 . 1.251(4) ?
C1 O2 . 1.253(4) ?
C1 C2 . 1.517(4) ?
C2 C7 . 1.388(4) ?
C2 C3 . 1.389(4) ?
C3 C4 . 1.386(4) ?
C3 H3 . 0.9300 ?
C4 C5 . 1.382(4) ?
C4 O6 . 1.390(3) ?
C5 C6 . 1.381(4) ?
C5 H5 . 0.9300 ?
C6 C7 . 1.386(4) ?
C6 O3 . 1.386(4) ?
C7 H7 . 0.9300 ?
C8 C14 . 1.375(5) ?
C8 C9 . 1.379(5) ?
C8 O3 . 1.403(4) ?
C9 C10 . 1.386(5) ?
C9 H9 . 0.9300 ?
C10 C11 . 1.382(5) ?
C10 H10 . 0.9300 ?
C11 C12 . 1.386(5) ?
C11 H11 . 0.9300 ?
C12 C14 . 1.393(4) ?
C12 C13 . 1.503(4) ?
C13 O4 . 1.250(4) ?
C13 O5 . 1.264(4) ?
C14 H14 . 0.9300 ?
C15 C16 . 1.383(4) ?
C15 C20 . 1.384(4) ?
C15 O6 . 1.388(3) ?
C16 C17 . 1.392(4) ?
C16 H16 . 0.9300 ?
C17 C18 . 1.379(4) ?
C17 C21 . 1.511(4) ?
C18 C19 . 1.381(5) ?
C18 H18 . 0.9300 ?
C19 C20 . 1.380(5) ?
C19 H19 . 0.9300 ?
C20 H20 . 0.9300 ?
C21 O8 . 1.249(4) ?
C21 O7 . 1.254(4) ?
C22 O9 . 1.215(4) ?
C22 N1 . 1.290(5) ?
C22 H22 . 0.9300 ?
C23 N1 . 1.468(6) ?
C23 H23A . 0.9600 ?
C23 H23B . 0.9600 ?
C23 H23C . 0.9600 ?
C24 N1 . 1.447(6) ?
C24 H24A . 0.9600 ?
C24 H24B . 0.9600 ?
C24 H24C . 0.9600 ?
C25 O10 . 1.171(5) ?
C25 N2 . 1.254(6) ?
C25 H25 . 0.9300 ?
C26 N2 . 1.411(7) ?
C26 H26A . 0.9600 ?
C26 H26B . 0.9600 ?
C26 H26C . 0.9600 ?
C27 N2 . 1.471(9) ?
C27 H27A . 0.9600 ?
C27 H27B . 0.9600 ?
C27 H27C . 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_site_symmetry_1
_geom_torsion_site_symmetry_2
_geom_torsion_site_symmetry_3
_geom_torsion_site_symmetry_4
_geom_torsion
_geom_torsion_publ_flag
O1 C1 C2 C7 . . . . 170.5(3) ?
O2 C1 C2 C7 . . . . -10.1(4) ?
O1 C1 C2 C3 . . . . -10.1(4) ?
O2 C1 C2 C3 . . . . 169.3(3) ?
C7 C2 C3 C4 . . . . -0.3(4) ?
C1 C2 C3 C4 . . . . -179.7(3) ?
C2 C3 C4 C5 . . . . -1.0(5) ?
C2 C3 C4 O6 . . . . 173.2(3) ?
C3 C4 C5 C6 . . . . 1.5(5) ?
O6 C4 C5 C6 . . . . -172.8(3) ?
C4 C5 C6 C7 . . . . -0.8(5) ?
C4 C5 C6 O3 . . . . 178.6(3) ?
C5 C6 C7 C2 . . . . -0.5(5) ?
O3 C6 C7 C2 . . . . -179.9(3) ?
C3 C2 C7 C6 . . . . 1.0(5) ?
C1 C2 C7 C6 . . . . -179.6(3) ?
C14 C8 C9 C10 . . . . -2.6(6) ?
O3 C8 C9 C10 . . . . -178.0(3) ?
C8 C9 C10 C11 . . . . 1.0(6) ?
C9 C10 C11 C12 . . . . 1.5(5) ?
C10 C11 C12 C14 . . . . -2.5(5) ?
C10 C11 C12 C13 . . . . 175.2(3) ?
C11 C12 C13 O4 . . . . -162.1(3) ?
C14 C12 C13 O4 . . . . 15.7(5) ?
C11 C12 C13 O5 . . . . 15.7(5) ?
C14 C12 C13 O5 . . . . -166.6(3) ?
C9 C8 C14 C12 . . . . 1.6(5) ?
O3 C8 C14 C12 . . . . 177.2(3) ?
C11 C12 C14 C8 . . . . 1.0(5) ?
C13 C12 C14 C8 . . . . -176.8(3) ?
C20 C15 C16 C17 . . . . -0.1(4) ?
O6 C15 C16 C17 . . . . 174.0(3) ?
C15 C16 C17 C18 . . . . 0.2(4) ?
C15 C16 C17 C21 . . . . -178.1(3) ?
C16 C17 C18 C19 . . . . -0.3(5) ?
C21 C17 C18 C19 . . . . 178.0(3) ?
C17 C18 C19 C20 . . . . 0.4(5) ?
C18 C19 C20 C15 . . . . -0.3(5) ?
C16 C15 C20 C19 . . . . 0.1(5) ?
O6 C15 C20 C19 . . . . -174.3(3) ?
C18 C17 C21 O8 . . . . 5.5(4) ?
C16 C17 C21 O8 . . . . -176.2(3) ?
C18 C17 C21 O7 . . . . -174.3(3) ?
C16 C17 C21 O7 . . . . 4.0(4) ?
C18 C17 C21 Eu1 . . . 2_567 -146.6(3) ?
C16 C17 C21 Eu1 . . . 2_567 31.7(5) ?
O10 C25 N2 C26 . . . . 177.5(6) ?
O10 C25 N2 C27 . . . . -8.2(10) ?
O9 C22 N1 C24 . . . . -178.1(5) ?
O9 C22 N1 C23 . . . . -6.0(8) ?
O2 C1 O1 Eu1 . . . . 17.1(5) ?
C2 C1 O1 Eu1 . . . . -163.5(2) ?
O1 C1 O2 Eu1 . . . 2_667 -45.4(6) ?
C2 C1 O2 Eu1 . . . 2_667 135.2(3) ?
C5 C6 O3 C8 . . . . 1.7(5) ?
C7 C6 O3 C8 . . . . -178.9(3) ?
C14 C8 O3 C6 . . . . 116.3(4) ?
C9 C8 O3 C6 . . . . -68.1(5) ?
O5 C13 O4 Eu1 . . . 1_454 -8.2(3) ?
C12 C13 O4 Eu1 . . . 1_454 169.5(3) ?
O4 C13 O5 Eu1 . . . 1_454 8.6(4) ?
C12 C13 O5 Eu1 . . . 1_454 -169.1(2) ?
C16 C15 O6 C4 . . . . 39.4(4) ?
C20 C15 O6 C4 . . . . -146.2(3) ?
C5 C4 O6 C15 . . . . -119.1(3) ?
C3 C4 O6 C15 . . . . 66.5(4) ?
O8 C21 O7 Eu1 . . . 2_567 -21.9(4) ?
C17 C21 O7 Eu1 . . . 2_567 157.9(2) ?
O7 C21 O8 Eu1 . . . 1_455 27.3(12) ?
C17 C21 O8 Eu1 . . . 1_455 -152.5(8) ?
Eu1 C21 O8 Eu1 2_567 . . 1_455 14.1(10) ?
N1 C22 O9 Eu1 . . . . 173.1(3) ?
N2 C25 O10 Eu1 . . . . 145.8(5) ?

_cod_database_fobs_code 2022193
