#------------------------------------------------------------------------------
#$Date: 2024-11-15 14:46:36 +0200 (Fri, 15 Nov 2024) $
#$Revision: 295934 $
#$URL: file:///home/coder/svn-repositories/cod/cif/4/32/34/4323426.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_4323426
loop_
_publ_author_name
'Michael Ruf'
'Karl Weis'
'Heinrich Vahrenkamp'
_publ_section_title
;
 Pyrazolylborate-Zinc Complexes of RNA Precursors and Analogues Thereof
;
_journal_name_full               'Inorganic Chemistry'
_journal_page_first              2130
_journal_page_last               2137
_journal_paper_doi               10.1021/ic961379m
_journal_volume                  36
_journal_year                    1997
_chemical_compound_source        Benzene
_chemical_formula_sum            'C43 H49 B N8 O2 Zn'
_chemical_formula_weight         786.11
_chemical_name_common            Tp(Cum,Me)Zn-Uracilate
_space_group_IT_number           2
_symmetry_cell_setting           triclinic
_symmetry_space_group_name_Hall  '-P 1'
_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
_cell_angle_alpha                93.620(10)
_cell_angle_beta                 110.380(10)
_cell_angle_gamma                114.760(10)
_cell_formula_units_Z            2
_cell_length_a                   13.0590(10)
_cell_length_b                   13.6580(10)
_cell_length_c                   13.9700(10)
_cell_measurement_temperature    293(2)
_cell_volume                     2056.1(4)
_computing_structure_refinement  'SHELXL-93 (Sheldrick, 1993)'
_computing_structure_solution    'SHELXS-86 (Sheldrick, 1990)'
_diffrn_ambient_temperature      293(2)
_diffrn_measurement_device       Nonius-Turbo-CAD4
_diffrn_measurement_method       Omega-2Theta
_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  0.0122
_diffrn_reflns_av_sigmaI/netI    0.0255
_diffrn_reflns_limit_h_max       11
_diffrn_reflns_limit_h_min       -13
_diffrn_reflns_limit_k_max       13
_diffrn_reflns_limit_k_min       0
_diffrn_reflns_limit_l_max       14
_diffrn_reflns_limit_l_min       -12
_diffrn_reflns_number            4186
_diffrn_reflns_theta_max         21.31
_diffrn_reflns_theta_min         2.60
_diffrn_standards_interval_count 'ICR every 3600 s, OCR every 200 refl.'
_diffrn_standards_number         2
_exptl_absorpt_coefficient_mu    0.643
_exptl_absorpt_correction_type   none
_exptl_crystal_colour            colorless
_exptl_crystal_density_diffrn    1.270
_exptl_crystal_density_meas      1.23
_exptl_crystal_description       isometric
_exptl_crystal_F_000             828
_exptl_crystal_size_max          0.5
_exptl_crystal_size_mid          0.5
_exptl_crystal_size_min          0.4
_refine_diff_density_max         0.257
_refine_diff_density_min         -0.144
_refine_diff_density_rms         0.037
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_all   1.074
_refine_ls_goodness_of_fit_obs   1.059
_refine_ls_hydrogen_treatment    'Riding Model'
_refine_ls_matrix_type           full
_refine_ls_number_parameters     496
_refine_ls_number_reflns         3985
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      1.087
_refine_ls_restrained_S_obs      1.059
_refine_ls_R_factor_all          0.0411
_refine_ls_R_factor_obs          0.0291
_refine_ls_shift/esd_max         0.143
_refine_ls_shift/esd_mean        0.005
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'w=1/[σ²(Fo²)+(0.0361P)²+1.3254P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_all         0.0817
_refine_ls_wR_factor_obs         0.0734
_reflns_number_observed          3461
_reflns_number_total             3987
_reflns_observed_criterion       >2sigma(I)
_cod_data_source_file            ic961379m_2.cif
_cod_data_source_block           ura
_cod_depositor_comments
;
The following automatic conversions were performed:

'_exptl_absorpt_correction_type' value 'None' changed to 'none'
according to the built-in table from CIF Core dictionary named
'cif_core.dic' version 2.4.1 from 2010-06-29.

'_geom_bond_publ_flag'
value 'Y' changed to 'y' according to the built-in table from CIF
Core dictionary named 'cif_core.dic' version 2.4.1 from 2010-06-29
(63 times).

'_geom_angle_publ_flag' value 'Y' changed to 'y'
according to the built-in table from CIF Core dictionary named
'cif_core.dic' version 2.4.1 from 2010-06-29 (99 times).

Automatic conversion script
Id: cif_fix_values 1715 2011-07-08 13:25:40Z adriana 

The following automatic conversions were performed:

'_refine_ls_weighting_scheme' value 'calc
w=1/[\s^2^(Fo^2^)+(0.0361P)^2^+1.3254P] where P=(Fo^2^+2Fc^2^)/3' was
changed to 'calc'. New tag '_refine_ls_weighting_details' was
created. The value of the new tag was set to
'w=1/[\s^2^(Fo^2^)+(0.0361P)^2^+1.3254P] where P=(Fo^2^+2Fc^2^)/3'.

Automatic conversion script
Id: cif_fix_values 3143 2015-03-26 13:38:13Z robertas 
;
_cod_original_cell_volume        2056.1(3)
_cod_database_code               4323426
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_thermal_displace_type
_atom_site_occupancy
_atom_site_calc_flag
_atom_site_refinement_flags
_atom_site_disorder_group
Zn Zn 0.14900(3) 0.22884(3) 0.29213(3) 0.04055(15) Uani 1 d . .
N7 N 0.2147(2) 0.1369(2) 0.2372(2) 0.0421(6) Uani 1 d . .
N2 N 0.0140(2) 0.0932(2) 0.3060(2) 0.0447(7) Uani 1 d . .
N8 N 0.2602(2) 0.2515(2) 0.4503(2) 0.0416(6) Uani 1 d . .
N1 N 0.1538(2) 0.3616(2) 0.2471(2) 0.0426(6) Uani 1 d . .
O2 O 0.0005(2) 0.2353(2) 0.0977(2) 0.0563(6) Uani 1 d . .
C40 C 0.0673(3) 0.3326(3) 0.1454(3) 0.0435(8) Uani 1 d . .
C41 C 0.1355(3) 0.5310(3) 0.1473(3) 0.0515(9) Uani 1 d . .
C42 C 0.2266(3) 0.5553(3) 0.2502(3) 0.0541(9) Uani 1 d . .
H42 H 0.2834(3) 0.6287(3) 0.2869(3) 0.065 Uiso 1 calc R .
C43 C 0.2301(3) 0.4711(3) 0.2944(2) 0.0481(9) Uani 1 d . .
H43 H 0.2896(3) 0.4897(3) 0.3626(2) 0.058 Uiso 1 calc R .
N3 N 0.0598(2) 0.4186(2) 0.1013(2) 0.0471(7) Uani 1 d . .
H8 H 0.0024(2) 0.4003(2) 0.0393(2) 0.057 Uiso 1 calc R .
O4 O 0.1215(2) 0.6007(2) 0.0996(2) 0.0740(8) Uani 1 d . .
N4 N 0.2071(2) 0.0482(2) 0.2816(2) 0.0445(7) Uani 1 d . .
C1 C 0.1981(3) -0.0326(3) 0.2129(3) 0.0521(9) Uani 1 d . .
C2 C 0.1998(3) 0.0037(3) 0.1243(3) 0.0585(10) Uani 1 d . .
H2 H 0.1943(3) -0.0350(3) 0.0640(3) 0.070 Uiso 1 calc R .
C3 C 0.2113(3) 0.1095(3) 0.1418(3) 0.0454(8) Uani 1 d . .
C4 C 0.1889(4) -0.1407(3) 0.2371(3) 0.0800(12) Uani 1 d . .
H4A H 0.2676(4) -0.1281(3) 0.2884(3) 0.120 Uiso 1 calc R .
H4B H 0.1659(4) -0.1920(3) 0.1739(3) 0.120 Uiso 1 calc R .
H4C H 0.1274(4) -0.1712(3) 0.2647(3) 0.120 Uiso 1 calc R .
C5 C 0.2223(3) 0.1888(3) 0.0747(3) 0.0451(8) Uani 1 d . .
C6 C 0.1573(3) 0.1516(3) -0.0334(3) 0.0606(10) Uani 1 d . .
H6 H 0.1062(3) 0.0759(3) -0.0643(3) 0.073 Uiso 1 calc R .
C7 C 0.1684(4) 0.2272(4) -0.0959(3) 0.0691(11) Uani 1 d . .
H7 H 0.1249(4) 0.2009(4) -0.1686(3) 0.083 Uiso 1 calc R .
C8 C 0.2423(4) 0.3402(3) -0.0533(3) 0.0593(10) Uani 1 d . .
C9 C 0.3052(3) 0.3754(3) 0.0541(3) 0.0576(9) Uani 1 d . .
H9 H 0.3548(3) 0.4512(3) 0.0852(3) 0.069 Uiso 1 calc R .
C10 C 0.2968(3) 0.3016(3) 0.1172(3) 0.0510(9) Uani 1 d . .
H10 H 0.3421(3) 0.3283(3) 0.1897(3) 0.061 Uiso 1 calc R .
C11 C 0.2582(4) 0.4224(4) -0.1221(3) 0.0812(12) Uani 1 d . .
H11 H 0.3088(4) 0.4969(4) -0.0744(3) 0.097 Uiso 1 calc R .
C12 C 0.1365(5) 0.4161(4) -0.1920(4) 0.104(2) Uani 1 d . .
H12A H 0.0978(5) 0.4298(4) -0.1492(4) 0.156 Uiso 1 calc R .
H12B H 0.0831(5) 0.3435(4) -0.2391(4) 0.156 Uiso 1 calc R .
H12C H 0.1512(5) 0.4711(4) -0.2321(4) 0.156 Uiso 1 calc R .
C13 C 0.3297(5) 0.4106(4) -0.1832(4) 0.106(2) Uani 1 d . .
H13A H 0.4082(5) 0.4195(4) -0.1351(4) 0.159 Uiso 1 calc R .
H13B H 0.3431(5) 0.4666(4) -0.2224(4) 0.159 Uiso 1 calc R .
H13C H 0.2833(5) 0.3383(4) -0.2310(4) 0.159 Uiso 1 calc R .
N5 N 0.0541(2) 0.0258(2) 0.3588(2) 0.0432(7) Uani 1 d . .
C14 C -0.0425(3) -0.0595(3) 0.3656(2) 0.0481(8) Uani 1 d . .
C15 C -0.1455(3) -0.0470(3) 0.3157(3) 0.0563(9) Uani 1 d . .
H15 H -0.2257(3) -0.0939(3) 0.3075(3) 0.068 Uiso 1 calc R .
C16 C -0.1075(3) 0.0487(3) 0.2801(2) 0.0472(8) Uani 1 d . .
C17 C -0.0298(4) -0.1467(3) 0.4206(3) 0.0652(10) Uani 1 d . .
H17A H -0.1085(4) -0.1971(3) 0.4192(3) 0.098 Uiso 1 calc R .
H17B H 0.0296(4) -0.1121(3) 0.4923(3) 0.098 Uiso 1 calc R .
H17C H -0.0025(4) -0.1870(3) 0.3856(3) 0.098 Uiso 1 calc R .
C18 C -0.1772(3) 0.1017(3) 0.2185(3) 0.0501(9) Uani 1 d . .
C19 C -0.2755(3) 0.0425(3) 0.1230(3) 0.0725(11) Uani 1 d . .
H19 H -0.3032(3) -0.0332(3) 0.1010(3) 0.087 Uiso 1 calc R .
C20 C -0.3350(4) 0.0933(4) 0.0583(3) 0.0789(12) Uani 1 d . .
H20 H -0.4006(4) 0.0514(4) -0.0065(3) 0.095 Uiso 1 calc R .
C21 C -0.2973(4) 0.2055(3) 0.0894(3) 0.0685(11) Uani 1 d . .
C22 C -0.1996(4) 0.2636(3) 0.1863(3) 0.0703(11) Uani 1 d . .
H22 H -0.1733(4) 0.3389(3) 0.2096(3) 0.084 Uiso 1 calc R .
C23 C -0.1398(3) 0.2138(3) 0.2496(3) 0.0622(10) Uani 1 d . .
H23 H -0.0735(3) 0.2559(3) 0.3140(3) 0.075 Uiso 1 calc R .
C24 C -0.3610(4) 0.2632(4) 0.0210(4) 0.0854(13) Uani 1 d . .
H24 H -0.2986(4) 0.3410(4) 0.0374(4) 0.103 Uiso 1 calc R .
C25 C -0.4615(4) 0.2635(4) 0.0538(4) 0.0983(15) Uani 1 d . .
H25A H -0.4237(4) 0.3058(4) 0.1254(4) 0.147 Uiso 1 calc R .
H25B H -0.5189(4) 0.1885(4) 0.0480(4) 0.147 Uiso 1 calc R .
H25C H -0.5048(4) 0.2965(4) 0.0086(4) 0.147 Uiso 1 calc R .
C26 C -0.4107(5) 0.2182(5) -0.0949(4) 0.117(2) Uani 1 d . .
H26A H -0.4443(5) 0.2622(5) -0.1318(4) 0.176 Uiso 1 calc R .
H26B H -0.4747(5) 0.1426(5) -0.1146(4) 0.176 Uiso 1 calc R .
H26C H -0.3452(5) 0.2209(5) -0.1128(4) 0.176 Uiso 1 calc R .
N6 N 0.2802(2) 0.1607(2) 0.4652(2) 0.0410(6) Uani 1 d . .
C27 C 0.3741(3) 0.1877(3) 0.5594(2) 0.0450(8) Uani 1 d . .
C28 C 0.4148(3) 0.2957(3) 0.6075(2) 0.0467(8) Uani 1 d . .
H28 H 0.4790(3) 0.3363(3) 0.6733(2) 0.056 Uiso 1 calc R .
C29 C 0.3408(3) 0.3323(3) 0.5380(2) 0.0384(8) Uani 1 d . .
C30 C 0.4188(3) 0.1070(3) 0.5990(3) 0.0641(10) Uani 1 d . .
H30A H 0.4913(3) 0.1446(3) 0.6641(3) 0.096 Uiso 1 calc R .
H30B H 0.4386(3) 0.0774(3) 0.5478(3) 0.096 Uiso 1 calc R .
H30C H 0.3550(3) 0.0474(3) 0.6104(3) 0.096 Uiso 1 calc R .
C31 C 0.3386(3) 0.4390(2) 0.5533(2) 0.0367(7) Uani 1 d . .
C32 C 0.4460(3) 0.5388(3) 0.5918(2) 0.0478(8) Uani 1 d . .
H32 H 0.5213(3) 0.5387(3) 0.6074(2) 0.057 Uiso 1 calc R .
C33 C 0.4447(3) 0.6390(3) 0.6077(3) 0.0544(9) Uani 1 d . .
H33 H 0.5189(3) 0.7050(3) 0.6335(3) 0.065 Uiso 1 calc R .
C34 C 0.3350(3) 0.6429(3) 0.5860(3) 0.0538(9) Uani 1 d . .
C35 C 0.2281(3) 0.5427(3) 0.5489(3) 0.0577(9) Uani 1 d . .
H35 H 0.1531(3) 0.5428(3) 0.5346(3) 0.069 Uiso 1 calc R .
C36 C 0.2283(3) 0.4421(3) 0.5320(3) 0.0488(8) Uani 1 d . .
H36 H 0.1541(3) 0.3762(3) 0.5063(3) 0.059 Uiso 1 calc R .
C37 C 0.3299(4) 0.7519(3) 0.6014(4) 0.0799(12) Uani 1 d . .
H37 H 0.2717(4) 0.7389(3) 0.6342(4) 0.096 Uiso 1 calc R .
C38 C 0.2716(6) 0.7725(4) 0.4998(4) 0.159(3) Uani 1 d . .
H38A H 0.1903(6) 0.7111(4) 0.4608(4) 0.238 Uiso 1 calc R .
H38B H 0.3209(6) 0.7805(4) 0.4606(4) 0.238 Uiso 1 calc R .
H38C H 0.2654(6) 0.8395(4) 0.5116(4) 0.238 Uiso 1 calc R .
C39 C 0.4463(5) 0.8483(4) 0.6765(4) 0.124(2) Uani 1 d . .
H39A H 0.4801(5) 0.8270(4) 0.7394(4) 0.185 Uiso 1 calc R .
H39B H 0.4299(5) 0.9078(4) 0.6937(4) 0.185 Uiso 1 calc R .
H39C H 0.5047(5) 0.8726(4) 0.6451(4) 0.185 Uiso 1 calc R .
B B 0.1889(4) 0.0472(3) 0.3848(3) 0.0470(10) Uani 1 d . .
H0 H 0.2017(4) -0.0120(3) 0.4144(3) 0.056 Uiso 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'
B B 0.0013 0.0007 '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'
Zn Zn 0.2839 1.4301 '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
N1 Zn N2 133.06(10) . . y
N1 Zn N7 122.41(10) . . y
N2 Zn N7 92.78(10) . . y
N1 Zn N8 116.60(11) . . y
N2 Zn N8 87.79(10) . . y
N7 Zn N8 93.62(9) . . y
C3 N7 N4 106.7(2) . . y
C3 N7 Zn 132.1(2) . . y
N4 N7 Zn 113.5(2) . . y
C16 N2 N5 107.0(2) . . y
C16 N2 Zn 138.3(2) . . y
N5 N2 Zn 114.7(2) . . y
C29 N8 N6 106.3(2) . . y
C29 N8 Zn 140.5(2) . . y
N6 N8 Zn 111.0(2) . . y
C43 N1 C40 118.2(3) . . y
C43 N1 Zn 131.8(2) . . y
C40 N1 Zn 109.8(2) . . y
O2 C40 N1 120.7(3) . . y
O2 C40 N3 122.4(3) . . y
N1 C40 N3 116.8(3) . . y
O4 C41 N3 120.8(3) . . y
O4 C41 C42 125.3(3) . . y
N3 C41 C42 113.9(3) . . y
C43 C42 C41 119.4(3) . . y
C42 C43 N1 125.1(3) . . y
C41 N3 C40 126.4(3) . . y
C1 N4 N7 109.1(2) . . y
C1 N4 B 131.1(3) . . y
N7 N4 B 118.9(2) . . y
N4 C1 C2 108.0(3) . . y
N4 C1 C4 122.7(3) . . y
C2 C1 C4 129.2(3) . . y
C1 C2 C3 106.6(3) . . y
N7 C3 C2 109.6(3) . . y
N7 C3 C5 120.5(3) . . y
C2 C3 C5 129.9(3) . . y
C10 C5 C6 118.1(3) . . y
C10 C5 C3 121.4(3) . . y
C6 C5 C3 120.5(3) . . y
C5 C6 C7 120.0(3) . . y
C8 C7 C6 121.9(3) . . y
C9 C8 C7 117.1(3) . . y
C9 C8 C11 121.0(4) . . y
C7 C8 C11 121.8(4) . . y
C8 C9 C10 121.7(3) . . y
C9 C10 C5 121.2(3) . . y
C12 C11 C13 112.6(4) . . y
C12 C11 C8 112.3(4) . . y
C13 C11 C8 111.3(4) . . y
C14 N5 N2 109.5(2) . . y
C14 N5 B 131.2(3) . . y
N2 N5 B 118.6(2) . . y
N5 C14 C15 107.3(3) . . y
N5 C14 C17 123.1(3) . . y
C15 C14 C17 129.6(3) . . y
C14 C15 C16 107.0(3) . . y
N2 C16 C15 109.2(3) . . y
N2 C16 C18 119.1(3) . . y
C15 C16 C18 131.6(3) . . y
C19 C18 C23 117.8(3) . . y
C19 C18 C16 120.3(3) . . y
C23 C18 C16 121.7(3) . . y
C18 C19 C20 121.5(4) . . y
C21 C20 C19 120.7(4) . . y
C22 C21 C20 117.2(4) . . y
C22 C21 C24 120.9(4) . . y
C20 C21 C24 121.9(4) . . y
C23 C22 C21 122.2(4) . . y
C22 C23 C18 120.7(3) . . y
C26 C24 C21 115.0(4) . . y
C26 C24 C25 111.7(4) . . y
C21 C24 C25 109.2(4) . . y
C27 N6 N8 109.6(2) . . y
C27 N6 B 130.6(2) . . y
N8 N6 B 119.4(2) . . y
N6 C27 C28 108.1(3) . . y
N6 C27 C30 122.6(3) . . y
C28 C27 C30 129.3(3) . . y
C27 C28 C29 106.2(3) . . y
N8 C29 C28 109.8(3) . . y
N8 C29 C31 121.1(3) . . y
C28 C29 C31 129.0(3) . . y
C32 C31 C36 117.7(3) . . y
C32 C31 C29 121.3(3) . . y
C36 C31 C29 121.0(3) . . y
C31 C32 C33 121.6(3) . . y
C32 C33 C34 121.1(3) . . y
C35 C34 C33 117.0(3) . . y
C35 C34 C37 120.5(3) . . y
C33 C34 C37 122.5(3) . . y
C34 C35 C36 122.4(3) . . y
C35 C36 C31 120.3(3) . . y
C38 C37 C39 114.8(4) . . y
C38 C37 C34 111.0(4) . . y
C39 C37 C34 115.4(3) . . y
N4 B N6 110.4(3) . . y
N4 B N5 107.9(3) . . y
N6 B N5 108.8(2) . . y
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
Zn N1 1.940(2) . y
Zn N2 2.031(3) . y
Zn N7 2.035(2) . y
Zn N8 2.096(2) . y
N7 C3 1.341(4) . y
N7 N4 1.379(3) . y
N2 C16 1.335(4) . y
N2 N5 1.374(3) . y
N8 C29 1.336(4) . y
N8 N6 1.383(3) . y
N1 C43 1.354(4) . y
N1 C40 1.375(4) . y
O2 C40 1.217(4) . y
C40 N3 1.384(4) . y
C41 O4 1.235(4) . y
C41 N3 1.381(4) . y
C41 C42 1.417(4) . y
C42 C43 1.349(4) . y
N4 C1 1.354(4) . y
N4 B 1.540(5) . y
C1 C2 1.367(5) . y
C1 C4 1.500(5) . y
C2 C3 1.385(4) . y
C3 C5 1.471(4) . y
C5 C10 1.379(4) . y
C5 C6 1.382(5) . y
C6 C7 1.388(5) . y
C7 C8 1.381(5) . y
C8 C9 1.371(5) . y
C8 C11 1.518(5) . y
C9 C10 1.375(5) . y
C11 C12 1.510(6) . y
C11 C13 1.515(6) . y
N5 C14 1.350(4) . y
N5 B 1.558(4) . y
C14 C15 1.371(5) . y
C14 C17 1.492(5) . y
C15 C16 1.383(5) . y
C16 C18 1.476(5) . y
C18 C19 1.372(5) . y
C18 C23 1.382(5) . y
C19 C20 1.394(5) . y
C20 C21 1.384(5) . y
C21 C22 1.379(5) . y
C21 C24 1.522(5) . y
C22 C23 1.377(5) . y
C24 C26 1.493(6) . y
C24 C25 1.534(6) . y
N6 C27 1.344(4) . y
N6 B 1.545(5) . y
C27 C28 1.370(4) . y
C27 C30 1.501(4) . y
C28 C29 1.392(4) . y
C29 C31 1.473(4) . y
C31 C32 1.376(4) . y
C31 C36 1.386(4) . y
C32 C33 1.382(4) . y
C33 C34 1.383(5) . y
C34 C35 1.377(5) . y
C34 C37 1.523(5) . y
C35 C36 1.381(4) . y
C37 C38 1.466(6) . y
C37 C39 1.477(6) . y
loop_
_cod_changelog_entry_id
_cod_changelog_entry_author
_cod_changelog_entry_date
_cod_changelog_entry_text
1 'Vaitkus, Antanas' 2024-11-15T14:40:08+02:00
;
 Removed multiple data items that had the 'Y' placeholder value.
;
