#------------------------------------------------------------------------------
#$Date: 2025-08-22 23:12:46 +0200 (Fri 22 de Aug de 2025) $
#$Revision: 301866 $
#$URL: svn://www.crystallography.net/cod/cif/7/23/17/7231744.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_7231744
loop_
_publ_author_name
'Lu, Yan-Na'
'Peng, Jun-Ling'
'Zhou, Xia'
'Wu, Jian-Zhong'
'Ou, Yong-Cong'
'Cai, Yue-Peng'
_publ_section_title
;
 Rapid naked-eye luminescence detection of carbonate ion through
 acetonitrile hydrolysis induced europium complexes
;
_journal_issue                   46
_journal_name_full               CrystEngComm
_journal_page_first              7574
_journal_paper_doi               10.1039/C8CE01414K
_journal_volume                  20
_journal_year                    2018
_chemical_formula_sum            'C50 H42 N8 O14 Tb2'
_chemical_formula_weight         1296.75
_space_group_crystal_system      monoclinic
_space_group_IT_number           14
_space_group_name_Hall           '-P 2ybc'
_space_group_name_H-M_alt        'P 1 21/c 1'
_symmetry_space_group_name_Hall  '-P 2ybc'
_symmetry_space_group_name_H-M   'P 1 21/c 1'
_atom_sites_solution_hydrogens   geom
_audit_creation_method           SHELXL-2018/3
_audit_update_record
;
2018-08-06 deposited with the CCDC.
2018-10-30 downloaded from the CCDC.
;
_cell_angle_alpha                90
_cell_angle_beta                 103.261(3)
_cell_angle_gamma                90
_cell_formula_units_Z            2
_cell_length_a                   11.4496(19)
_cell_length_b                   16.139(3)
_cell_length_c                   13.595(2)
_cell_measurement_reflns_used    1935
_cell_measurement_temperature    296(2)
_cell_measurement_theta_max      19.51
_cell_measurement_theta_min      2.45
_cell_volume                     2445.2(7)
_computing_cell_refinement       'Bruker SAINT'
_computing_data_collection       'Bruker APEX2'
_computing_data_reduction        'Bruker SAINT'
_computing_molecular_graphics    'Bruker SHELXTL'
_computing_publication_material  'Bruker SHELXTL'
_computing_structure_refinement  'SHELXL-2018/3 (Sheldrick, 2018)'
_computing_structure_solution    'SHELXL-2018/3 (Sheldrick, 2018)'
_diffrn_ambient_temperature      296(2)
_diffrn_measured_fraction_theta_full 0.999
_diffrn_measured_fraction_theta_max 0.999
_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  0.0541
_diffrn_reflns_av_unetI/netI     0.0655
_diffrn_reflns_Laue_measured_fraction_full 0.999
_diffrn_reflns_Laue_measured_fraction_max 0.999
_diffrn_reflns_limit_h_max       13
_diffrn_reflns_limit_h_min       -10
_diffrn_reflns_limit_k_max       19
_diffrn_reflns_limit_k_min       -15
_diffrn_reflns_limit_l_max       16
_diffrn_reflns_limit_l_min       -16
_diffrn_reflns_number            12405
_diffrn_reflns_point_group_measured_fraction_full 0.999
_diffrn_reflns_point_group_measured_fraction_max 0.999
_diffrn_reflns_theta_full        25.242
_diffrn_reflns_theta_max         25.247
_diffrn_reflns_theta_min         1.990
_diffrn_source                   'sealed tube'
_exptl_absorpt_coefficient_mu    2.946
_exptl_absorpt_correction_type   none
_exptl_crystal_colour            yellow
_exptl_crystal_density_diffrn    1.761
_exptl_crystal_description       block
_exptl_crystal_F_000             1280
_exptl_crystal_size_max          0.230
_exptl_crystal_size_mid          0.220
_exptl_crystal_size_min          0.210
_refine_diff_density_max         0.744
_refine_diff_density_min         -0.702
_refine_diff_density_rms         0.098
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   0.996
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     338
_refine_ls_number_reflns         4427
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      0.996
_refine_ls_R_factor_all          0.0757
_refine_ls_R_factor_gt           0.0415
_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)+(0.0394P)²] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0843
_refine_ls_wR_factor_ref         0.0975
_reflns_Friedel_coverage         0.000
_reflns_number_gt                2876
_reflns_number_total             4427
_reflns_threshold_expression     'I > 2σ(I)'
_cod_data_source_file            c8ce01414k2.cif
_cod_data_source_block           shelx_CCDC2
_cod_depositor_comments
'Adding full bibliography for 7231742--7231745.cif.'
_cod_database_code               7231744
_shelx_shelxl_version_number     2018/3
_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   0.551
_shelx_estimated_absorpt_t_max   0.577
loop_
_space_group_symop_operation_xyz
'x, y, z'
'-x, y+1/2, -z+1/2'
'-x, -y, -z'
'x, -y-1/2, z-1/2'
loop_
_atom_site_label
_atom_site_type_symbol
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_U_iso_or_equiv
_atom_site_adp_type
_atom_site_occupancy
_atom_site_site_symmetry_order
_atom_site_calc_flag
_atom_site_refinement_flags_posn
_atom_site_refinement_flags_adp
C1 C 0.5088(6) -0.0943(4) 0.1615(5) 0.0620(18) Uani 1 1 d . .
H1 H 0.454657 -0.117869 0.194941 0.074 Uiso 1 1 calc R U
C2 C 0.5125(6) -0.1255(4) 0.0669(5) 0.067(2) Uani 1 1 d . .
H2 H 0.463159 -0.169206 0.038489 0.080 Uiso 1 1 calc R U
C3 C 0.5900(6) -0.0904(4) 0.0172(5) 0.0674(19) Uani 1 1 d . .
H3 H 0.592065 -0.108548 -0.047351 0.081 Uiso 1 1 calc R U
C4 C 0.6663(6) -0.0275(4) 0.0624(5) 0.0561(17) Uani 1 1 d . .
C5 C 0.6597(6) -0.0010(4) 0.1608(5) 0.0590(18) Uani 1 1 d . .
C6 C 0.7409(6) 0.0621(4) 0.2152(5) 0.0538(17) Uani 1 1 d . .
C7 C 0.8045(7) 0.1367(4) 0.3606(6) 0.075(2) Uani 1 1 d . .
H7 H 0.795489 0.152264 0.424290 0.090 Uiso 1 1 calc R U
C8 C 0.8995(7) 0.1708(4) 0.3258(6) 0.072(2) Uani 1 1 d . .
H8 H 0.953605 0.206767 0.366045 0.086 Uiso 1 1 calc R U
C9 C 0.9113(6) 0.1500(4) 0.2308(6) 0.0645(19) Uani 1 1 d . .
H9 H 0.973138 0.172759 0.205545 0.077 Uiso 1 1 calc R U
C10 C 0.8316(6) 0.0954(4) 0.1726(5) 0.0578(17) Uani 1 1 d . .
C11 C 0.8327(6) 0.0711(4) 0.0718(5) 0.0586(18) Uani 1 1 d . .
C12 C 0.7529(6) 0.0142(4) 0.0205(5) 0.0574(18) Uani 1 1 d . .
C13 C 0.8731(7) 0.0585(5) -0.0736(6) 0.067(2) Uani 1 1 d . .
C14 C 0.9288(7) 0.0692(4) -0.1594(6) 0.066(2) Uani 1 1 d . .
C15 C 1.0317(8) 0.1181(5) -0.1492(7) 0.079(2) Uani 1 1 d . .
C16 C 1.0870(8) 0.1288(5) -0.2280(8) 0.095(3) Uani 1 1 d . .
H16 H 1.154764 0.162181 -0.219793 0.114 Uiso 1 1 calc R U
C17 C 1.0416(10) 0.0898(6) -0.3199(8) 0.109(3) Uani 1 1 d . .
H17 H 1.081047 0.096161 -0.372056 0.130 Uiso 1 1 calc R U
C18 C 0.9360(9) 0.0402(6) -0.3360(8) 0.102(3) Uani 1 1 d . .
H18 H 0.904088 0.015296 -0.398008 0.122 Uiso 1 1 calc R U
C19 C 0.8827(8) 0.0308(5) -0.2535(7) 0.088(3) Uani 1 1 d . .
H19 H 0.814378 -0.001906 -0.261208 0.106 Uiso 1 1 calc R U
C20 C 0.4073(8) 0.1531(5) 0.2487(6) 0.071(2) Uani 1 1 d . .
C21 C 0.3337(9) 0.2204(5) 0.1890(6) 0.108(3) Uani 1 1 d . .
H21A H 0.335712 0.268613 0.230733 0.162 Uiso 1 1 calc R U
H21B H 0.252280 0.201890 0.166184 0.162 Uiso 1 1 calc R U
H21C H 0.365764 0.234020 0.131644 0.162 Uiso 1 1 calc R U
C22 C 0.6825(6) -0.0942(4) 0.5040(5) 0.0574(17) Uani 1 1 d . .
C23 C 0.7520(7) -0.1644(5) 0.5647(6) 0.091(3) Uani 1 1 d . .
H23A H 0.697753 -0.208289 0.571519 0.136 Uiso 1 1 calc R U
H23B H 0.791423 -0.144541 0.630532 0.136 Uiso 1 1 calc R U
H23C H 0.810819 -0.184921 0.530617 0.136 Uiso 1 1 calc R U
C24 C 0.6343(6) 0.1286(4) 0.5967(6) 0.0648(19) Uani 1 1 d . .
C25 C 0.6955(7) 0.2043(4) 0.6470(5) 0.088(3) Uani 1 1 d . .
H25A H 0.741901 0.190049 0.713014 0.132 Uiso 1 1 calc R U
H25B H 0.636489 0.245007 0.652978 0.132 Uiso 1 1 calc R U
H25C H 0.747596 0.226371 0.607272 0.132 Uiso 1 1 calc R U
N1 N 0.5776(5) -0.0331(3) 0.2071(4) 0.0533(13) Uani 1 1 d . .
N2 N 0.7272(5) 0.0839(3) 0.3085(4) 0.0595(14) Uani 1 1 d . .
N3 N 0.9093(5) 0.0981(3) 0.0135(5) 0.0656(15) Uani 1 1 d . .
N4 N 0.7788(5) 0.0075(4) -0.0733(4) 0.0664(16) Uani 1 1 d . .
H4 H 0.742134 -0.023273 -0.122431 0.080 Uiso 1 1 calc R U
O1 O 1.0812(5) 0.1580(4) -0.0604(5) 0.0972(17) Uani 1 1 d . .
H1H H 1.037573 0.152145 -0.020796 0.146 Uiso 1 1 calc R U
O2 O 0.3767(5) 0.0790(3) 0.2327(3) 0.0745(14) Uani 1 1 d . .
O3 O 0.5007(5) 0.1725(3) 0.3129(4) 0.0824(15) Uani 1 1 d . .
O4 O 0.4015(4) 0.0616(3) 0.4638(3) 0.0612(12) Uani 1 1 d . .
O5 O 0.7067(4) -0.0721(3) 0.4244(3) 0.0720(14) Uani 1 1 d . .
O6 O 0.4231(4) -0.0861(3) 0.3530(3) 0.0630(12) Uani 1 1 d . .
O7 O 0.6467(4) 0.1103(3) 0.5101(3) 0.0697(13) Uani 1 1 d . .
Tb1 Tb 0.54637(3) 0.03056(2) 0.37467(2) 0.05280(14) Uani 1 1 d . .
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'
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
N1 C1 C2 124.2(7) . .
N1 C1 H1 117.9 . .
C2 C1 H1 117.9 . .
C3 C2 C1 118.1(7) . .
C3 C2 H2 120.9 . .
C1 C2 H2 120.9 . .
C2 C3 C4 120.1(7) . .
C2 C3 H3 119.9 . .
C4 C3 H3 119.9 . .
C3 C4 C12 126.5(6) . .
C3 C4 C5 118.3(6) . .
C12 C4 C5 115.3(6) . .
N1 C5 C4 121.0(6) . .
N1 C5 C6 117.5(6) . .
C4 C5 C6 121.4(6) . .
N2 C6 C10 122.7(6) . .
N2 C6 C5 117.2(6) . .
C10 C6 C5 120.1(6) . .
N2 C7 C8 123.7(7) . .
N2 C7 H7 118.2 . .
C8 C7 H7 118.2 . .
C9 C8 C7 118.5(7) . .
C9 C8 H8 120.8 . .
C7 C8 H8 120.8 . .
C8 C9 C10 120.1(7) . .
C8 C9 H9 119.9 . .
C10 C9 H9 119.9 . .
C9 C10 C6 117.4(7) . .
C9 C10 C11 125.1(7) . .
C6 C10 C11 117.4(6) . .
C12 C11 N3 111.0(6) . .
C12 C11 C10 121.4(7) . .
N3 C11 C10 127.6(7) . .
C11 C12 N4 105.3(6) . .
C11 C12 C4 124.0(6) . .
N4 C12 C4 130.6(7) . .
N3 C13 N4 112.1(7) . .
N3 C13 C14 123.4(7) . .
N4 C13 C14 124.4(7) . .
C15 C14 C19 118.0(8) . .
C15 C14 C13 119.9(8) . .
C19 C14 C13 122.1(7) . .
O1 C15 C16 117.1(9) . .
O1 C15 C14 121.4(8) . .
C16 C15 C14 121.5(9) . .
C15 C16 C17 120.0(10) . .
C15 C16 H16 120.0 . .
C17 C16 H16 120.0 . .
C16 C17 C18 121.5(9) . .
C16 C17 H17 119.3 . .
C18 C17 H17 119.3 . .
C19 C18 C17 116.6(10) . .
C19 C18 H18 121.7 . .
C17 C18 H18 121.7 . .
C18 C19 C14 122.5(9) . .
C18 C19 H19 118.8 . .
C14 C19 H19 118.8 . .
O2 C20 O3 121.3(7) . .
O2 C20 C21 120.0(8) . .
O3 C20 C21 118.7(8) . .
O2 C20 Tb1 62.4(4) . .
O3 C20 Tb1 59.1(4) . .
C21 C20 Tb1 176.1(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 . .
O5 C22 O4 122.0(7) . 3_656
O5 C22 C23 120.0(7) . .
O4 C22 C23 118.0(7) 3_656 .
O5 C22 Tb1 57.4(4) . .
O4 C22 Tb1 64.7(4) 3_656 .
C23 C22 Tb1 175.4(5) . .
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 . .
O7 C24 O6 124.8(7) . 3_656
O7 C24 C25 118.7(7) . .
O6 C24 C25 116.5(7) 3_656 .
C24 C25 H25A 109.5 . .
C24 C25 H25B 109.5 . .
H25A C25 H25B 109.5 . .
C24 C25 H25C 109.5 . .
H25A C25 H25C 109.5 . .
H25B C25 H25C 109.5 . .
C1 N1 C5 118.1(6) . .
C1 N1 Tb1 121.2(4) . .
C5 N1 Tb1 120.5(4) . .
C7 N2 C6 117.6(6) . .
C7 N2 Tb1 121.6(5) . .
C6 N2 Tb1 120.7(4) . .
C13 N3 C11 104.5(6) . .
C13 N4 C12 107.1(6) . .
C13 N4 H4 126.5 . .
C12 N4 H4 126.5 . .
C15 O1 H1H 109.5 . .
C20 O2 Tb1 91.6(4) . .
C20 O3 Tb1 94.9(5) . .
C22 O4 Tb1 164.9(5) 3_656 .
C22 O4 Tb1 89.4(4) 3_656 3_656
Tb1 O4 Tb1 105.27(17) . 3_656
C22 O5 Tb1 97.6(4) . .
C24 O6 Tb1 138.6(4) 3_656 .
C24 O7 Tb1 137.1(5) . .
O4 Tb1 O7 75.50(16) . .
O4 Tb1 O6 75.87(15) . .
O7 Tb1 O6 136.29(15) . .
O4 Tb1 O5 125.57(15) . .
O7 Tb1 O5 87.32(16) . .
O6 Tb1 O5 83.23(17) . .
O4 Tb1 O3 81.67(16) . .
O7 Tb1 O3 77.39(17) . .
O6 Tb1 O3 129.44(17) . .
O5 Tb1 O3 144.39(18) . .
O4 Tb1 O2 79.37(16) . .
O7 Tb1 O2 125.97(17) . .
O6 Tb1 O2 79.42(16) . .
O5 Tb1 O2 144.67(16) . .
O3 Tb1 O2 51.97(16) . .
O4 Tb1 N2 146.50(17) . .
O7 Tb1 N2 78.52(17) . .
O6 Tb1 N2 137.30(17) . .
O5 Tb1 N2 73.29(16) . .
O3 Tb1 N2 72.25(17) . .
O2 Tb1 N2 99.67(17) . .
O4 Tb1 N1 143.27(16) . .
O7 Tb1 N1 140.51(17) . .
O6 Tb1 N1 76.76(16) . .
O5 Tb1 N1 74.29(15) . .
O3 Tb1 N1 97.51(17) . .
O2 Tb1 N1 71.90(15) . .
N2 Tb1 N1 62.92(17) . .
O4 Tb1 O4 74.73(17) . 3_656
O7 Tb1 O4 70.89(15) . 3_656
O6 Tb1 O4 70.14(14) . 3_656
O5 Tb1 O4 50.88(15) . 3_656
O3 Tb1 O4 144.17(16) . 3_656
O2 Tb1 O4 143.83(16) . 3_656
N2 Tb1 O4 115.86(16) . 3_656
N1 Tb1 O4 117.52(15) . 3_656
O4 Tb1 C20 78.25(18) . .
O7 Tb1 C20 101.4(2) . .
O6 Tb1 C20 104.2(2) . .
O5 Tb1 C20 156.16(19) . .
O3 Tb1 C20 26.01(19) . .
O2 Tb1 C20 26.02(19) . .
N2 Tb1 C20 86.6(2) . .
N1 Tb1 C20 85.28(19) . .
O4 Tb1 C20 152.96(18) 3_656 .
O4 Tb1 C22 100.6(2) . .
O7 Tb1 C22 78.69(17) . .
O6 Tb1 C22 74.93(17) . .
O5 Tb1 C22 25.01(17) . .
O3 Tb1 C22 154.57(18) . .
O2 Tb1 C22 153.46(17) . .
N2 Tb1 C22 94.63(19) . .
N1 Tb1 C22 95.43(18) . .
O4 Tb1 C22 25.88(16) 3_656 .
C20 Tb1 C22 178.7(2) . .
O4 Tb1 Tb1 39.89(11) . 3_656
O7 Tb1 Tb1 68.53(11) . 3_656
O6 Tb1 Tb1 68.26(11) . 3_656
O5 Tb1 Tb1 85.71(11) . 3_656
O3 Tb1 Tb1 116.95(13) . 3_656
O2 Tb1 Tb1 115.30(12) . 3_656
N2 Tb1 Tb1 141.61(12) . 3_656
N1 Tb1 Tb1 141.43(11) . 3_656
O4 Tb1 Tb1 34.85(10) 3_656 3_656
C20 Tb1 Tb1 118.13(15) . 3_656
C22 Tb1 Tb1 60.70(15) . 3_656
loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_site_symmetry_2
C1 N1 1.324(7) .
C1 C2 1.392(9) .
C1 H1 0.9300 .
C2 C3 1.357(9) .
C2 H2 0.9300 .
C3 C4 1.388(8) .
C3 H3 0.9300 .
C4 C12 1.422(9) .
C4 C5 1.422(9) .
C5 N1 1.350(8) .
C5 C6 1.461(9) .
C6 N2 1.360(8) .
C6 C10 1.407(9) .
C7 N2 1.313(8) .
C7 C8 1.395(10) .
C7 H7 0.9300 .
C8 C9 1.370(9) .
C8 H8 0.9300 .
C9 C10 1.380(9) .
C9 H9 0.9300 .
C10 C11 1.428(9) .
C11 C12 1.368(9) .
C11 N3 1.381(8) .
C12 N4 1.379(8) .
C13 N3 1.325(9) .
C13 N4 1.359(9) .
C13 C14 1.463(10) .
C14 C15 1.398(10) .
C14 C19 1.410(10) .
C15 O1 1.371(9) .
C15 C16 1.374(11) .
C16 C17 1.389(12) .
C16 H16 0.9300 .
C17 C18 1.424(12) .
C17 H17 0.9300 .
C18 C19 1.402(11) .
C18 H18 0.9300 .
C19 H19 0.9300 .
C20 O2 1.251(9) .
C20 O3 1.255(8) .
C20 C21 1.496(9) .
C20 Tb1 2.851(7) .
C21 H21A 0.9600 .
C21 H21B 0.9600 .
C21 H21C 0.9600 .
C22 O5 1.230(7) .
C22 O4 1.259(8) 3_656
C22 C23 1.517(9) .
C22 Tb1 2.883(7) .
C23 H23A 0.9600 .
C23 H23B 0.9600 .
C23 H23C 0.9600 .
C24 O7 1.254(8) .
C24 O6 1.254(8) 3_656
C24 C25 1.493(9) .
C25 H25A 0.9600 .
C25 H25B 0.9600 .
C25 H25C 0.9600 .
N1 Tb1 2.598(5) .
N2 Tb1 2.587(6) .
N4 H4 0.8600 .
O1 H1H 0.8200 .
O2 Tb1 2.527(5) .
O3 Tb1 2.455(5) .
O4 Tb1 2.322(5) .
O4 Tb1 2.606(4) 3_656
O5 Tb1 2.450(5) .
O6 Tb1 2.332(4) .
O7 Tb1 2.323(4) .
Tb1 Tb1 3.9211(8) 3_656
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
_geom_hbond_publ_flag
O1 H1H N3 0.82 1.86 2.593(8) 148.8 . yes
N4 H4 O2 0.86 1.99 2.836(8) 166.4 3_655 yes
loop_
_cod_related_entry_id
_cod_related_entry_database
_cod_related_entry_code
1 PubChem 139205161
