#------------------------------------------------------------------------------
#$Date: 2016-02-16 03:10:39 +0200 (Tue, 16 Feb 2016) $
#$Revision: 176453 $
#$URL: svn://www.crystallography.net/cod/cif/7/00/79/7007967.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_7007967
loop_
_publ_author_name
'Song, Datong'
'Jia, Wen Li'
'Wu, Gang'
'Wang, Suning'
_publ_section_title
;
 Cu(I) and Zn(II) complexes of 7-azaindole-containing scorpionates:
 structures, luminescence and fluxionality.
;
_journal_issue                   3
_journal_name_full
'Dalton transactions (Cambridge, England : 2003)'
_journal_page_first              433
_journal_page_last               438
_journal_paper_doi               10.1039/b414328k
_journal_year                    2005
_chemical_formula_sum            'C25 H24 B Cl N6 O Zn'
_chemical_formula_weight         536.14
_chemical_name_common            2
_chemical_name_systematic
;
?
;
_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-97
_cell_angle_alpha                110.838(7)
_cell_angle_beta                 101.423(8)
_cell_angle_gamma                110.095(7)
_cell_formula_units_Z            2
_cell_length_a                   9.330(3)
_cell_length_b                   12.373(3)
_cell_length_c                   12.819(4)
_cell_measurement_temperature    293(2)
_cell_volume                     1209.3(6)
_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 0.931
_diffrn_measured_fraction_theta_max 0.931
_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  0.0749
_diffrn_reflns_av_sigmaI/netI    0.5100
_diffrn_reflns_limit_h_max       12
_diffrn_reflns_limit_h_min       -11
_diffrn_reflns_limit_k_max       16
_diffrn_reflns_limit_k_min       -15
_diffrn_reflns_limit_l_max       17
_diffrn_reflns_limit_l_min       -16
_diffrn_reflns_number            8905
_diffrn_reflns_theta_full        28.36
_diffrn_reflns_theta_max         28.36
_diffrn_reflns_theta_min         2.50
_diffrn_standards_decay_%        0
_exptl_absorpt_coefficient_mu    1.157
_exptl_absorpt_correction_T_max  1.000
_exptl_absorpt_correction_T_min  0.911
_exptl_absorpt_correction_type   SADABS
_exptl_crystal_colour            colorless
_exptl_crystal_density_diffrn    1.472
_exptl_crystal_density_method    'not measured'
_exptl_crystal_F_000             552
_exptl_crystal_size_max          0.4
_exptl_crystal_size_mid          0.2
_exptl_crystal_size_min          0.1
_refine_diff_density_max         0.391
_refine_diff_density_min         -0.266
_refine_diff_density_rms         0.066
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   0.686
_refine_ls_hydrogen_treatment    mixed
_refine_ls_matrix_type           full
_refine_ls_number_parameters     315
_refine_ls_number_reflns         5629
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      0.686
_refine_ls_R_factor_all          0.2936
_refine_ls_R_factor_gt           0.0683
_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)+(0.0398P)²+0.0000P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1100
_refine_ls_wR_factor_ref         0.1452
_reflns_number_gt                1243
_reflns_number_total             5629
_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            b414328k.txt
_cod_data_source_block           sdt82
_cod_depositor_comments
;
The following automatic conversions were performed:
'_symmetry_cell_setting' value 'Triclinic' changed to 'triclinic'
according to '/home/saulius/struct/CIF-dictionaries/cif_core.dic'
dictionary named 'cif_core.dic' version 2.4.1 from 2010-06-29.

Automatic conversion script
Id: cif_fix_enum 1527 2010-12-29 10:47:43Z saulius 
;
_cod_original_cell_volume        1209.2(6)
_cod_original_sg_symbol_H-M      P-1
_cod_original_formula_sum        'C25 H24 B1 Cl1 N6 O1 Zn1'
_cod_database_code               7007967
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
Zn1 Zn -0.77141(12) -0.11790(10) -0.83116(9) 0.0610(4) Uani 1 1 d . . .
B1 B -0.4977(10) -0.2376(8) -0.8339(8) 0.0224(19) Uani 1 1 d . . .
H1B H -0.401(4) -0.283(4) -0.828(3) 0.004(11) Uiso 1 1 d . . .
Cl1 Cl -0.9552(3) -0.0426(2) -0.8293(2) 0.1075(10) Uani 1 1 d . . .
N1 N -0.4064(7) -0.1100(6) -0.7169(6) 0.0545(19) Uani 1 1 d . . .
N2 N -0.5760(8) -0.0018(6) -0.6819(5) 0.0555(19) Uani 1 1 d . . .
N3 N -0.6379(9) -0.3393(7) -0.8344(5) 0.062(2) Uani 1 1 d . . .
N4 N -0.8691(8) -0.2930(6) -0.8413(5) 0.0538(19) Uani 1 1 d . . .
N5 N -0.5215(6) -0.2216(5) -0.9487(6) 0.0500(19) Uani 1 1 d . . .
N6 N -0.7129(6) -0.1336(5) -0.9744(5) 0.0433(16) Uani 1 1 d . . .
C1 C -0.2474(11) -0.0741(9) -0.6507(8) 0.073(3) Uani 1 1 d . . .
H1A H -0.1917 -0.1225 -0.6736 0.088 Uiso 1 1 calc R . .
C2 C -0.1820(11) 0.0374(10) -0.5505(8) 0.089(3) Uani 1 1 d . . .
H2A H -0.0767 0.0781 -0.4936 0.107 Uiso 1 1 calc R . .
C3 C -0.2998(12) 0.0816(9) -0.5467(9) 0.068(3) Uani 1 1 d . . .
C4 C -0.3069(12) 0.1860(9) -0.4729(8) 0.080(3) Uani 1 1 d . . .
H4A H -0.2179 0.2501 -0.4033 0.097 Uiso 1 1 calc R . .
C5 C -0.4508(13) 0.1955(9) -0.5034(9) 0.072(3) Uani 1 1 d . . .
H5A H -0.4593 0.2674 -0.4543 0.087 Uiso 1 1 calc R . .
C6 C -0.5795(11) 0.1007(10) -0.6042(9) 0.076(3) Uani 1 1 d . . .
H6A H -0.6763 0.1082 -0.6199 0.092 Uiso 1 1 calc R . .
C7 C -0.4352(10) -0.0110(8) -0.6528(7) 0.046(2) Uani 1 1 d . . .
C8 C -0.6257(11) -0.4484(9) -0.8333(7) 0.072(3) Uani 1 1 d . . .
H8A H -0.5320 -0.4597 -0.8324 0.086 Uiso 1 1 calc R . .
C9 C -0.7620(15) -0.5368(10) -0.8337(8) 0.095(3) Uani 1 1 d . . .
H9A H -0.7755 -0.6139 -0.8317 0.114 Uiso 1 1 calc R . .
C10 C -0.8782(13) -0.4889(10) -0.8379(7) 0.064(3) Uani 1 1 d . . .
C11 C -1.0321(13) -0.5290(10) -0.8398(8) 0.086(3) Uani 1 1 d . . .
H11A H -1.0859 -0.6062 -0.8371 0.103 Uiso 1 1 calc R . .
C12 C -1.1065(12) -0.4539(12) -0.8457(8) 0.089(3) Uani 1 1 d . . .
H12A H -1.2147 -0.4815 -0.8501 0.107 Uiso 1 1 calc R . .
C13 C -1.0256(13) -0.3367(11) -0.8454(7) 0.086(3) Uani 1 1 d . . .
H13A H -1.0800 -0.2867 -0.8481 0.104 Uiso 1 1 calc R . .
C14 C -0.7972(12) -0.3690(9) -0.8388(6) 0.052(2) Uani 1 1 d . . .
C15 C -0.4361(9) -0.2567(7) -1.0179(8) 0.068(3) Uani 1 1 d . . .
H15A H -0.3608 -0.2858 -0.9965 0.082 Uiso 1 1 calc R . .
C16 C -0.4700(10) -0.2456(8) -1.1215(8) 0.079(3) Uani 1 1 d . . .
H16A H -0.4282 -0.2677 -1.1817 0.094 Uiso 1 1 calc R . .
C17 C -0.5847(9) -0.1924(7) -1.1163(8) 0.055(2) Uani 1 1 d . . .
C18 C -0.6681(10) -0.1601(8) -1.1892(7) 0.068(3) Uani 1 1 d . . .
H18A H -0.6564 -0.1720 -1.2623 0.082 Uiso 1 1 calc R . .
C19 C -0.7712(10) -0.1091(7) -1.1534(8) 0.068(3) Uani 1 1 d . . .
H19A H -0.8268 -0.0831 -1.2005 0.082 Uiso 1 1 calc R . .
C20 C -0.7895(9) -0.0976(7) -1.0466(8) 0.067(3) Uani 1 1 d . . .
H20A H -0.8586 -0.0631 -1.0230 0.080 Uiso 1 1 calc R . .
C21 C -0.6085(8) -0.1790(6) -1.0070(7) 0.043(2) Uani 1 1 d . . .
C22 C -0.710(5) -0.487(3) -0.448(4) 0.220(15) Uiso 0.50 1 d P . .
C22A C -0.820(3) -0.518(2) -0.4314(19) 0.094(7) Uiso 0.50 1 d P . .
C23 C -0.678(3) -0.550(3) -0.391(2) 0.153(10) Uiso 0.50 1 d P . .
C23A C -0.803(3) -0.638(3) -0.417(2) 0.134(9) Uiso 0.50 1 d P . .
C24 C -0.856(4) -0.712(3) -0.577(3) 0.185(12) Uiso 0.50 1 d P . .
C24A C -0.918(3) -0.620(3) -0.508(3) 0.143(9) Uiso 0.50 1 d P . .
C25 C -0.774(4) -0.652(3) -0.607(2) 0.127(9) Uiso 0.50 1 d P . .
C25A C -0.667(4) -0.605(4) -0.524(4) 0.204(14) Uiso 0.50 1 d P . .
O1 O -0.847(2) -0.5672(19) -0.5669(17) 0.177(7) Uiso 0.50 1 d P . .
O1A O -0.736(3) -0.679(2) -0.482(2) 0.181(7) Uiso 0.50 1 d P . .
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'
Cl Cl 0.1484 0.1585 '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'
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
N2 Zn1 N6 111.2(2) . . ?
N2 Zn1 N4 109.1(2) . . ?
N6 Zn1 N4 108.3(2) . . ?
N2 Zn1 Cl1 109.8(2) . . ?
N6 Zn1 Cl1 109.51(18) . . ?
N4 Zn1 Cl1 108.9(2) . . ?
N3 B1 N1 115.5(6) . . ?
N3 B1 N5 116.2(6) . . ?
N1 B1 N5 114.7(6) . . ?
C7 N1 C1 103.5(7) . . ?
C7 N1 B1 138.1(6) . . ?
C1 N1 B1 118.4(6) . . ?
C6 N2 C7 115.8(7) . . ?
C6 N2 Zn1 116.6(6) . . ?
C7 N2 Zn1 127.5(5) . . ?
C14 N3 C8 101.0(7) . . ?
C14 N3 B1 139.9(7) . . ?
C8 N3 B1 119.1(7) . . ?
C14 N4 C13 116.8(8) . . ?
C14 N4 Zn1 128.0(6) . . ?
C13 N4 Zn1 115.1(7) . . ?
C21 N5 C15 104.2(6) . . ?
C21 N5 B1 137.8(6) . . ?
C15 N5 B1 118.0(6) . . ?
C21 N6 C20 117.8(7) . . ?
C21 N6 Zn1 126.4(5) . . ?
C20 N6 Zn1 115.8(5) . . ?
C2 C1 N1 112.9(8) . . ?
C1 C2 C3 107.4(9) . . ?
C4 C3 C2 135.7(11) . . ?
C4 C3 C7 119.3(9) . . ?
C2 C3 C7 104.9(8) . . ?
C3 C4 C5 117.7(9) . . ?
C6 C5 C4 120.3(9) . . ?
N2 C6 C5 124.0(8) . . ?
N2 C7 N1 125.9(8) . . ?
N2 C7 C3 122.8(8) . . ?
N1 C7 C3 111.3(7) . . ?
C9 C8 N3 114.6(9) . . ?
C8 C9 C10 106.7(9) . . ?
C11 C10 C9 135.7(13) . . ?
C11 C10 C14 119.9(10) . . ?
C9 C10 C14 104.4(9) . . ?
C10 C11 C12 117.9(11) . . ?
C11 C12 C13 121.5(11) . . ?
N4 C13 C12 121.6(10) . . ?
N4 C14 N3 124.5(9) . . ?
N4 C14 C10 122.2(9) . . ?
N3 C14 C10 113.3(8) . . ?
N5 C15 C16 114.5(7) . . ?
C15 C16 C17 104.5(8) . . ?
C18 C17 C21 120.1(8) . . ?
C18 C17 C16 135.2(10) . . ?
C21 C17 C16 104.7(8) . . ?
C17 C18 C19 119.1(9) . . ?
C20 C19 C18 118.5(8) . . ?
N6 C20 C19 123.7(7) . . ?
N6 C21 N5 127.3(8) . . ?
N6 C21 C17 120.7(7) . . ?
N5 C21 C17 111.9(7) . . ?
C22A C22 C23 81(3) . . ?
C22A C22 O1 73(3) . . ?
C23 C22 O1 116(3) . . ?
C22A C22 C25A 115(3) . . ?
C23 C22 C25A 65(2) . . ?
O1 C22 C25A 75(2) . . ?
C22A C22 C24A 36.3(19) . . ?
C23 C22 C24A 82(2) . . ?
O1 C22 C24A 44.3(13) . . ?
C25A C22 C24A 83(2) . . ?
C22A C22 C23A 54(2) . . ?
C23 C22 C23A 34.3(16) . . ?
O1 C22 C23A 86(2) . . ?
C25A C22 C23A 69(2) . . ?
C24A C22 C23A 47.6(12) . . ?
C22 C22A C24A 111(3) . . ?
C22 C22A C23 57(2) . . ?
C24A C22A C23 100(2) . . ?
C22 C22A O1 66(2) . . ?
C24A C22A O1 54.7(16) . . ?
C23 C22A O1 99.9(15) . . ?
C22 C22A C23A 94(3) . . ?
C24A C22A C23A 65.6(18) . . ?
C23 C22A C23A 43.5(13) . . ?
O1 C22A C23A 98.6(16) . . ?
C23A C23 C22 107(3) . . ?
C23A C23 O1A 54.4(18) . . ?
C22 C23 O1A 105(3) . . ?
C23A C23 C22A 71(2) . . ?
C22 C23 C22A 42.5(17) . . ?
O1A C23 C22A 102(2) . . ?
C23A C23 C25A 95(3) . . ?
C22 C23 C25A 68(2) . . ?
O1A C23 C25A 48.6(16) . . ?
C22A C23 C25A 94(2) . . ?
C23 C23A O1A 73(2) . . ?
C23 C23A C24A 100(2) . . ?
O1A C23A C24A 97(2) . . ?
C23 C23A C22A 65(2) . . ?
O1A C23A C22A 109(2) . . ?
C24A C23A C22A 43.2(12) . . ?
C23 C23A C24 98(2) . . ?
O1A C23A C24 46.3(15) . . ?
C24A C23A C24 53.6(14) . . ?
C22A C23A C24 85.0(17) . . ?
C23 C23A C22 38.9(17) . . ?
O1A C23A C22 81(2) . . ?
C24A C23A C22 60.9(17) . . ?
C22A C23A C22 32.0(11) . . ?
C24 C23A C22 76.6(18) . . ?
C25 C24 O1A 93(3) . . ?
C25 C24 C24A 102(3) . . ?
O1A C24 C24A 94(3) . . ?
C25 C24 C25A 43(2) . . ?
O1A C24 C25A 50.3(19) . . ?
C24A C24 C25A 96(2) . . ?
C25 C24 O1 57(2) . . ?
O1A C24 O1 105(2) . . ?
C24A C24 O1 46.6(13) . . ?
C25A C24 O1 71(2) . . ?
C25 C24 C23A 114(3) . . ?
O1A C24 C23A 42.1(15) . . ?
C24A C24 C23A 54.8(16) . . ?
C25A C24 C23A 76(2) . . ?
O1 C24 C23A 86.0(17) . . ?
C22A C24A O1 78(2) . . ?
C22A C24A C24 118(2) . . ?
O1 C24A C24 74(2) . . ?
C22A C24A C23A 71.2(19) . . ?
O1 C24A C23A 115(2) . . ?
C24 C24A C23A 71.6(19) . . ?
C22A C24A C22 32.5(16) . . ?
O1 C24A C22 53.4(16) . . ?
C24 C24A C22 88(2) . . ?
C23A C24A C22 71.5(18) . . ?
C24 C25 C25A 94(3) . . ?
C24 C25 O1 84(3) . . ?
C25A C25 O1 98(3) . . ?
C24 C25 O1A 48(2) . . ?
C25A C25 O1A 47(2) . . ?
O1 C25 O1A 97.5(16) . . ?
C25 C25A O1A 94(3) . . ?
C25 C25A C24 43(2) . . ?
O1A C25A C24 52.1(18) . . ?
C25 C25A C23 122(3) . . ?
O1A C25A C23 57(2) . . ?
C24 C25A C23 89(3) . . ?
C25 C25A C22 96(3) . . ?
O1A C25A C22 94(3) . . ?
C24 C25A C22 92(2) . . ?
C23 C25A C22 46.7(16) . . ?
C25 C25A O1 47.8(19) . . ?
O1A C25A O1 95(2) . . ?
C24 C25A O1 57.2(17) . . ?
C23 C25A O1 83.1(18) . . ?
C22 C25A O1 48.2(16) . . ?
C24A O1 C25 97(2) . . ?
C24A O1 C22 82(2) . . ?
C25 O1 C22 91(2) . . ?
C24A O1 C22A 47.3(14) . . ?
C25 O1 C22A 112.4(16) . . ?
C22 O1 C22A 40.7(14) . . ?
C24A O1 C24 58.9(16) . . ?
C25 O1 C24 39.5(13) . . ?
C22 O1 C24 94(2) . . ?
C22A O1 C24 89.8(17) . . ?
C24A O1 C25A 90.7(18) . . ?
C25 O1 C25A 34.5(14) . . ?
C22 O1 C25A 56.7(17) . . ?
C22A O1 C25A 83.0(16) . . ?
C24 O1 C25A 52.1(16) . . ?
C23A O1A C25A 115(3) . . ?
C23A O1A C24 92(2) . . ?
C25A O1A C24 78(2) . . ?
C23A O1A C23 52.2(15) . . ?
C25A O1A C23 74(2) . . ?
C24 O1A C23 113(2) . . ?
C23A O1A C25 111.3(19) . . ?
C25A O1A C25 39.1(17) . . ?
C24 O1A C25 39.0(16) . . ?
C23 O1A C25 98.6(19) . . ?
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
Zn1 N2 1.978(6) . ?
Zn1 N6 1.980(5) . ?
Zn1 N4 1.984(6) . ?
Zn1 Cl1 2.215(2) . ?
B1 N3 1.467(9) . ?
B1 N1 1.534(9) . ?
B1 N5 1.537(8) . ?
N1 C7 1.358(8) . ?
N1 C1 1.378(8) . ?
N2 C6 1.321(8) . ?
N2 C7 1.348(7) . ?
N3 C14 1.387(9) . ?
N3 C8 1.398(8) . ?
N4 C14 1.334(8) . ?
N4 C13 1.354(9) . ?
N5 C21 1.352(8) . ?
N5 C15 1.362(7) . ?
N6 C21 1.345(7) . ?
N6 C20 1.348(8) . ?
C1 C2 1.333(9) . ?
C2 C3 1.388(10) . ?
C3 C4 1.335(9) . ?
C3 C7 1.405(9) . ?
C4 C5 1.379(10) . ?
C5 C6 1.351(10) . ?
C8 C9 1.360(10) . ?
C9 C10 1.404(10) . ?
C10 C11 1.340(10) . ?
C10 C14 1.421(10) . ?
C11 C12 1.351(10) . ?
C12 C13 1.384(11) . ?
C15 C16 1.370(9) . ?
C16 C17 1.437(9) . ?
C17 C18 1.352(9) . ?
C17 C21 1.422(9) . ?
C18 C19 1.385(9) . ?
C19 C20 1.376(9) . ?
C22 C22A 1.06(3) . ?
C22 C23 1.31(3) . ?
C22 O1 1.49(4) . ?
C22 C25A 1.67(4) . ?
C22 C24A 1.84(4) . ?
C22 C23A 2.00(4) . ?
C22A C24A 1.17(3) . ?
C22A C23 1.55(3) . ?
C22A O1 1.55(3) . ?
C22A C23A 1.61(3) . ?
C23 C23A 1.17(3) . ?
C23 O1A 1.42(3) . ?
C23 C25A 1.63(4) . ?
C23A O1A 1.21(2) . ?
C23A C24A 1.55(3) . ?
C23A C24 1.80(4) . ?
C24 C25 1.10(3) . ?
C24 O1A 1.30(3) . ?
C24 C24A 1.53(3) . ?
C24 C25A 1.61(4) . ?
C24 O1 1.72(3) . ?
C24A O1 1.30(3) . ?
C25 C25A 1.10(3) . ?
C25 O1 1.44(2) . ?
C25 O1A 1.75(3) . ?
C25A O1A 1.27(4) . ?
C25A O1 1.93(4) . ?
