#------------------------------------------------------------------------------
#$Date: 2016-02-20 18:35:30 +0200 (Sat, 20 Feb 2016) $
#$Revision: 176787 $
#$URL: svn://www.crystallography.net/cod/cif/2/21/45/2214559.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_2214559
loop_
_publ_author_name
'Yip Foo Win'
'Siang-Guan Teoh'
'Shea-Lin Ng'
'Hoong-Kun Fun'
'Syahida Ahmad'
_publ_section_title
;
 catena-Poly[[triphenyltin(IV)]-μ-2,4-dinitrobenzoato]
;
_journal_coeditor_code           BT2448
_journal_issue                   8
_journal_name_full               'Acta Crystallographica Section E'
_journal_page_first              m2220
_journal_page_last               m2221
_journal_paper_doi               10.1107/S1600536807035556
_journal_volume                  63
_journal_year                    2007
_chemical_formula_iupac          '[Sn (C25 H18 N2 O6)]'
_chemical_formula_moiety         'C25 H18 N2 O6 Sn'
_chemical_formula_sum            'C25 H18 N2 O6 Sn'
_chemical_formula_weight         561.10
_chemical_name_systematic
;
catena-Poly[[triphenyltin(IV)]-μ-2,4-dinitrobenzoato]
;
_space_group_IT_number           14
_symmetry_cell_setting           monoclinic
_symmetry_space_group_name_Hall  '-P 2ybc'
_symmetry_space_group_name_H-M   'P 1 21/c 1'
_atom_sites_solution_hydrogens   geom
_atom_sites_solution_primary     direct
_atom_sites_solution_secondary   difmap
_audit_creation_method           SHELXL-97
_cell_angle_alpha                90.00
_cell_angle_beta                 97.3170(10)
_cell_angle_gamma                90.00
_cell_formula_units_Z            4
_cell_length_a                   6.58350(10)
_cell_length_b                   11.8399(2)
_cell_length_c                   29.0173(4)
_cell_measurement_reflns_used    5968
_cell_measurement_temperature    100.00(10)
_cell_measurement_theta_max      35.55
_cell_measurement_theta_min      1.42
_cell_volume                     2243.42(6)
_computing_cell_refinement       APEX2
_computing_data_collection       'APEX2 (Bruker, 2005)'
_computing_data_reduction        'SAINT (Bruker, 2005)'
_computing_molecular_graphics    SHELXTL
_computing_publication_material
;
SHELXTL and PLATON (Spek, 2003)
;
_computing_structure_refinement  SHELXTL
_computing_structure_solution    'SHELXTL (Sheldrick, 1998)'
_diffrn_ambient_temperature      100.00(10)
_diffrn_detector_area_resol_mean 8.33
_diffrn_measured_fraction_theta_full 0.995
_diffrn_measured_fraction_theta_max 0.995
_diffrn_measurement_device_type
;
Bruker SMART APEXII CCD area-detector diffractometer
;
_diffrn_measurement_method       'ω 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  0.0466
_diffrn_reflns_av_sigmaI/netI    0.0482
_diffrn_reflns_limit_h_max       9
_diffrn_reflns_limit_h_min       -10
_diffrn_reflns_limit_k_max       18
_diffrn_reflns_limit_k_min       -19
_diffrn_reflns_limit_l_max       47
_diffrn_reflns_limit_l_min       -47
_diffrn_reflns_number            45670
_diffrn_reflns_theta_full        35.55
_diffrn_reflns_theta_max         35.55
_diffrn_reflns_theta_min         1.42
_diffrn_standards_number         0
_exptl_absorpt_coefficient_mu    1.184
_exptl_absorpt_correction_T_max  0.8867
_exptl_absorpt_correction_T_min  0.8128
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   'SADABS (Bruker, 2005)'
_exptl_crystal_colour            colourless
_exptl_crystal_density_diffrn    1.661
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       block
_exptl_crystal_F_000             1120
_exptl_crystal_size_max          0.27
_exptl_crystal_size_mid          0.14
_exptl_crystal_size_min          0.10
_refine_diff_density_max         0.766
_refine_diff_density_min         -0.867
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.099
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     307
_refine_ls_number_reflns         10230
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      1.099
_refine_ls_R_factor_all          0.0557
_refine_ls_R_factor_gt           0.0378
_refine_ls_shift/su_max          <0.001
_refine_ls_shift/su_mean         <0.001
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'calc w=1/[σ²(Fo²)+(0.0546P)²+2.2536P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0914
_refine_ls_wR_factor_ref         0.1197
_reflns_number_gt                8104
_reflns_number_total             10230
_reflns_threshold_expression     I>2σ(I)
_cod_data_source_file            bt2448.cif
_cod_data_source_block           I
_cod_original_sg_symbol_H-M      'P 21/c'
_cod_database_code               2214559
_cod_database_fobs_code          2214559
loop_
_symmetry_equiv_pos_as_xyz
'x, y, z'
'-x, y+1/2, -z+1/2'
'-x, -y, -z'
'x, -y-1/2, z-1/2'
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_refinement_flags
_atom_site_occupancy
Sn Sn1 0.87124(2) 0.294273(13) 0.087817(5) 0.01171(5) Uani d . 1
O O1 0.5266(3) 0.29990(15) 0.07927(7) 0.0159(3) Uani d . 1
O O2 0.2108(3) 0.31893(15) 0.09542(7) 0.0163(3) Uani d . 1
O O3 0.2851(3) 0.11530(17) 0.03396(6) 0.0215(4) Uani d . 1
O O4 0.3619(4) -0.06212(18) 0.04299(7) 0.0272(4) Uani d . 1
O O5 0.5299(4) -0.1099(2) 0.25504(9) 0.0421(6) Uani d . 1
O O6 0.3845(4) -0.21551(18) 0.19930(9) 0.0334(5) Uani d . 1
N N1 0.3405(3) 0.03299(19) 0.05774(7) 0.0160(4) Uani d . 1
N N2 0.4504(4) -0.1246(2) 0.21479(9) 0.0243(5) Uani d . 1
C C1 0.8850(4) 0.1206(2) 0.10719(8) 0.0140(4) Uani d . 1
C C2 0.9165(4) 0.0846(2) 0.15348(8) 0.0147(4) Uani d . 1
H H2A 0.9314 0.1375 0.1773 0.018 Uiso calc R 1
C C3 0.9257(4) -0.0307(2) 0.16399(9) 0.0182(4) Uani d . 1
H H3A 0.9486 -0.0540 0.1948 0.022 Uiso calc R 1
C C4 0.9008(4) -0.1108(2) 0.12863(10) 0.0205(5) Uani d . 1
H H4A 0.9063 -0.1874 0.1358 0.025 Uiso calc R 1
C C5 0.8678(4) -0.0763(2) 0.08267(9) 0.0185(5) Uani d . 1
H H5A 0.8503 -0.1297 0.0590 0.022 Uiso calc R 1
C C6 0.8607(4) 0.0389(2) 0.07174(9) 0.0164(4) Uani d . 1
H H6A 0.8397 0.0616 0.0408 0.020 Uiso calc R 1
C C7 0.8551(4) 0.3266(2) 0.01530(8) 0.0161(4) Uani d . 1
C C8 0.6708(4) 0.3126(2) -0.01376(9) 0.0200(5) Uani d . 1
H H8A 0.5534 0.2914 -0.0012 0.024 Uiso calc R 1
C C9 0.6616(5) 0.3300(3) -0.06136(10) 0.0280(6) Uani d . 1
H H9A 0.5379 0.3210 -0.0804 0.034 Uiso calc R 1
C C10 0.8351(6) 0.3608(3) -0.08061(10) 0.0302(7) Uani d . 1
H H10A 0.8285 0.3725 -0.1125 0.036 Uiso calc R 1
C C11 1.0176(5) 0.3741(3) -0.05225(10) 0.0279(6) Uani d . 1
H H11A 1.1344 0.3947 -0.0651 0.034 Uiso calc R 1
C C12 1.0296(4) 0.3571(2) -0.00454(10) 0.0206(5) Uani d . 1
H H12A 1.1541 0.3661 0.0142 0.025 Uiso calc R 1
C C13 0.8637(3) 0.4209(2) 0.14002(8) 0.0142(4) Uani d . 1
C C14 1.0354(4) 0.4420(2) 0.17288(9) 0.0216(5) Uani d . 1
H H14A 1.1514 0.3970 0.1734 0.026 Uiso calc R 1
C C15 1.0334(5) 0.5301(3) 0.20481(10) 0.0262(6) Uani d . 1
H H15A 1.1481 0.5430 0.2264 0.031 Uiso calc R 1
C C16 0.8629(5) 0.5983(3) 0.20472(10) 0.0258(6) Uani d . 1
H H16A 0.8633 0.6578 0.2257 0.031 Uiso calc R 1
C C17 0.6903(5) 0.5767(3) 0.17276(10) 0.0250(5) Uani d . 1
H H17A 0.5739 0.6213 0.1728 0.030 Uiso calc R 1
C C18 0.6912(4) 0.4891(2) 0.14096(9) 0.0189(5) Uani d . 1
H H18A 0.5749 0.4757 0.1199 0.023 Uiso calc R 1
C C19 0.3747(3) 0.2646(2) 0.09720(8) 0.0126(4) Uani d . 1
C C20 0.3959(3) 0.1593(2) 0.12628(8) 0.0135(4) Uani d . 1
C C21 0.4358(4) 0.1730(2) 0.17424(9) 0.0159(4) Uani d . 1
H H21A 0.4489 0.2454 0.1867 0.019 Uiso calc R 1
C C22 0.4562(4) 0.0801(2) 0.20357(8) 0.0180(5) Uani d . 1
H H22A 0.4843 0.0891 0.2356 0.022 Uiso calc R 1
C C23 0.4338(4) -0.0263(2) 0.18396(9) 0.0172(4) Uani d . 1
C C24 0.3965(4) -0.0443(2) 0.13664(9) 0.0161(4) Uani d . 1
H H24A 0.3840 -0.1168 0.1242 0.019 Uiso calc R 1
C C25 0.3789(3) 0.0502(2) 0.10870(8) 0.0131(4) 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'
Sn Sn -0.6537 1.4246 '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
C7 Sn1 C1 . . 115.46(9) y
C7 Sn1 C13 . . 124.90(9) y
C1 Sn1 C13 . . 119.61(9) y
C7 Sn1 O2 . 1_655 89.85(9) y
C1 Sn1 O2 . 1_655 95.25(8) y
C13 Sn1 O2 . 1_655 87.22(8) y
C7 Sn1 O1 . . 87.89(9) y
C1 Sn1 O1 . . 93.78(8) y
C13 Sn1 O1 . . 86.75(8) y
O2 Sn1 O1 1_655 . 170.79(7) y
C19 O1 Sn1 . . 142.06(16) ?
C19 O2 Sn1 . 1_455 141.46(17) ?
O4 N1 O3 . . 125.3(2) ?
O4 N1 C25 . . 117.7(2) ?
O3 N1 C25 . . 117.0(2) ?
O6 N2 O5 . . 124.1(3) ?
O6 N2 C23 . . 118.6(2) ?
O5 N2 C23 . . 117.3(3) ?
C2 C1 C6 . . 118.8(2) ?
C2 C1 Sn1 . . 122.94(18) ?
C6 C1 Sn1 . . 118.29(17) ?
C3 C2 C1 . . 120.3(2) ?
C3 C2 H2A . . 119.9 ?
C1 C2 H2A . . 119.9 ?
C4 C3 C2 . . 120.5(2) ?
C4 C3 H3A . . 119.8 ?
C2 C3 H3A . . 119.8 ?
C5 C4 C3 . . 119.8(2) ?
C5 C4 H4A . . 120.1 ?
C3 C4 H4A . . 120.1 ?
C4 C5 C6 . . 120.2(2) ?
C4 C5 H5A . . 119.9 ?
C6 C5 H5A . . 119.9 ?
C5 C6 C1 . . 120.5(2) ?
C5 C6 H6A . . 119.8 ?
C1 C6 H6A . . 119.8 ?
C12 C7 C8 . . 118.6(2) ?
C12 C7 Sn1 . . 120.95(19) ?
C8 C7 Sn1 . . 120.4(2) ?
C9 C8 C7 . . 120.5(3) ?
C9 C8 H8A . . 119.8 ?
C7 C8 H8A . . 119.8 ?
C10 C9 C8 . . 120.5(3) ?
C10 C9 H9A . . 119.8 ?
C8 C9 H9A . . 119.8 ?
C11 C10 C9 . . 119.4(3) ?
C11 C10 H10A . . 120.3 ?
C9 C10 H10A . . 120.3 ?
C10 C11 C12 . . 120.9(3) ?
C10 C11 H11A . . 119.6 ?
C12 C11 H11A . . 119.6 ?
C11 C12 C7 . . 120.1(3) ?
C11 C12 H12A . . 119.9 ?
C7 C12 H12A . . 119.9 ?
C18 C13 C14 . . 118.0(2) ?
C18 C13 Sn1 . . 120.80(18) ?
C14 C13 Sn1 . . 121.12(18) ?
C15 C14 C13 . . 120.6(3) ?
C15 C14 H14A . . 119.7 ?
C13 C14 H14A . . 119.7 ?
C16 C15 C14 . . 120.8(3) ?
C16 C15 H15A . . 119.6 ?
C14 C15 H15A . . 119.6 ?
C15 C16 C17 . . 119.1(3) ?
C15 C16 H16A . . 120.4 ?
C17 C16 H16A . . 120.4 ?
C18 C17 C16 . . 120.4(3) ?
C18 C17 H17A . . 119.8 ?
C16 C17 H17A . . 119.8 ?
C17 C18 C13 . . 121.2(3) ?
C17 C18 H18A . . 119.4 ?
C13 C18 H18A . . 119.4 ?
O2 C19 O1 . . 122.6(2) ?
O2 C19 C20 . . 117.9(2) ?
O1 C19 C20 . . 119.1(2) ?
C25 C20 C21 . . 118.2(2) ?
C25 C20 C19 . . 124.6(2) ?
C21 C20 C19 . . 117.2(2) ?
C22 C21 C20 . . 120.8(2) ?
C22 C21 H21A . . 119.6 ?
C20 C21 H21A . . 119.6 ?
C23 C22 C21 . . 118.2(2) ?
C23 C22 H22A . . 120.9 ?
C21 C22 H22A . . 120.9 ?
C24 C23 C22 . . 123.1(2) ?
C24 C23 N2 . . 118.4(2) ?
C22 C23 N2 . . 118.5(2) ?
C25 C24 C23 . . 116.8(2) ?
C25 C24 H24A . . 121.6 ?
C23 C24 H24A . . 121.6 ?
C24 C25 C20 . . 122.9(2) ?
C24 C25 N1 . . 117.8(2) ?
C20 C25 N1 . . 119.4(2) ?
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
Sn1 C7 . 2.128(2) y
Sn1 C1 . 2.130(2) y
Sn1 C13 . 2.136(2) y
Sn1 O2 1_655 2.2370(18) y
Sn1 O1 . 2.2517(17) y
O1 C19 . 1.257(3) ?
O2 C19 . 1.252(3) ?
O2 Sn1 1_455 2.2370(18) ?
O3 N1 . 1.223(3) ?
O4 N1 . 1.219(3) ?
O5 N2 . 1.230(3) ?
O6 N2 . 1.224(3) ?
N1 C25 . 1.482(3) ?
N2 C23 . 1.463(3) ?
C1 C2 . 1.400(3) ?
C1 C6 . 1.406(3) ?
C2 C3 . 1.398(4) ?
C2 H2A . 0.9300 ?
C3 C4 . 1.392(4) ?
C3 H3A . 0.9300 ?
C4 C5 . 1.385(4) ?
C4 H4A . 0.9300 ?
C5 C6 . 1.400(4) ?
C5 H5A . 0.9300 ?
C6 H6A . 0.9300 ?
C7 C12 . 1.396(4) ?
C7 C8 . 1.397(4) ?
C8 C9 . 1.390(4) ?
C8 H8A . 0.9300 ?
C9 C10 . 1.383(5) ?
C9 H9A . 0.9300 ?
C10 C11 . 1.376(5) ?
C10 H10A . 0.9300 ?
C11 C12 . 1.391(4) ?
C11 H11A . 0.9300 ?
C12 H12A . 0.9300 ?
C13 C18 . 1.397(3) ?
C13 C14 . 1.405(3) ?
C14 C15 . 1.396(4) ?
C14 H14A . 0.9300 ?
C15 C16 . 1.383(4) ?
C15 H15A . 0.9300 ?
C16 C17 . 1.396(4) ?
C16 H16A . 0.9300 ?
C17 C18 . 1.388(4) ?
C17 H17A . 0.9300 ?
C18 H18A . 0.9300 ?
C19 C20 . 1.502(3) ?
C20 C25 . 1.388(3) ?
C20 C21 . 1.392(3) ?
C21 C22 . 1.387(4) ?
C21 H21A . 0.9300 ?
C22 C23 . 1.382(4) ?
C22 H22A . 0.9300 ?
C23 C24 . 1.380(4) ?
C24 C25 . 1.378(3) ?
C24 H24A . 0.9300 ?
loop_
_geom_hbond_atom_site_label_D
_geom_hbond_atom_site_label_H
_geom_hbond_atom_site_label_A
_geom_hbond_site_symmetry_A
_geom_hbond_distance_DH
_geom_hbond_distance_HA
_geom_hbond_distance_DA
_geom_hbond_angle_DHA
_geom_hbond_publ_flag
C8 H8A O1 1_555 0.93 2.37 2.977(3) 123 y
C18 H18A O1 1_555 0.93 2.39 2.984(3) 121 y
C12 H12A O2 1_655 0.93 2.40 3.026(3) 124 y
C14 H14A O2 1_655 0.93 2.52 3.028(3) 115 y
C17 H17A O6 1_565 0.93 2.47 3.331(4) 153 y
C21 H21A O5 2_655 0.93 2.40 3.279(3) 158 y
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
C7 Sn1 O1 C19 . 154.9(3)
C1 Sn1 O1 C19 . 39.5(3)
C13 Sn1 O1 C19 . -80.0(3)
C7 Sn1 C1 C2 . 173.48(19)
C13 Sn1 C1 C2 . -8.6(2)
O2 Sn1 C1 C2 1_655 81.1(2)
O1 Sn1 C1 C2 . -97.1(2)
C7 Sn1 C1 C6 . -6.7(2)
C13 Sn1 C1 C6 . 171.17(17)
O2 Sn1 C1 C6 1_655 -99.04(19)
O1 Sn1 C1 C6 . 82.76(19)
C6 C1 C2 C3 . 0.7(4)
Sn1 C1 C2 C3 . -179.48(18)
C1 C2 C3 C4 . -0.9(4)
C2 C3 C4 C5 . 0.4(4)
C3 C4 C5 C6 . 0.4(4)
C4 C5 C6 C1 . -0.6(4)
C2 C1 C6 C5 . 0.0(4)
Sn1 C1 C6 C5 . -179.79(19)
C1 Sn1 C7 C12 . -99.5(2)
C13 Sn1 C7 C12 . 82.8(2)
O2 Sn1 C7 C12 1_655 -3.7(2)
O1 Sn1 C7 C12 . 167.3(2)
C1 Sn1 C7 C8 . 77.5(2)
C13 Sn1 C7 C8 . -100.2(2)
O2 Sn1 C7 C8 1_655 173.3(2)
O1 Sn1 C7 C8 . -15.7(2)
C12 C7 C8 C9 . -0.8(4)
Sn1 C7 C8 C9 . -177.8(2)
C7 C8 C9 C10 . 0.4(4)
C8 C9 C10 C11 . 0.0(5)
C9 C10 C11 C12 . -0.1(5)
C10 C11 C12 C7 . -0.3(4)
C8 C7 C12 C11 . 0.7(4)
Sn1 C7 C12 C11 . 177.7(2)
C7 Sn1 C13 C18 . 63.3(2)
C1 Sn1 C13 C18 . -114.3(2)
O2 Sn1 C13 C18 1_655 151.2(2)
O1 Sn1 C13 C18 . -21.8(2)
C7 Sn1 C13 C14 . -113.3(2)
C1 Sn1 C13 C14 . 69.1(2)
O2 Sn1 C13 C14 1_655 -25.4(2)
O1 Sn1 C13 C14 . 161.6(2)
C18 C13 C14 C15 . -1.1(4)
Sn1 C13 C14 C15 . 175.6(2)
C13 C14 C15 C16 . -0.1(5)
C14 C15 C16 C17 . 1.2(5)
C15 C16 C17 C18 . -1.1(5)
C16 C17 C18 C13 . -0.1(4)
C14 C13 C18 C17 . 1.2(4)
Sn1 C13 C18 C17 . -175.5(2)
Sn1 O2 C19 O1 1_455 143.0(2)
Sn1 O2 C19 C20 1_455 -43.6(4)
Sn1 O1 C19 O2 . 149.4(2)
Sn1 O1 C19 C20 . -23.9(4)
O2 C19 C20 C25 . 103.4(3)
O1 C19 C20 C25 . -83.0(3)
O2 C19 C20 C21 . -76.7(3)
O1 C19 C20 C21 . 96.9(3)
C25 C20 C21 C22 . -0.5(4)
C19 C20 C21 C22 . 179.6(2)
C20 C21 C22 C23 . -0.7(4)
C21 C22 C23 C24 . 1.5(4)
C21 C22 C23 N2 . -178.6(2)
O6 N2 C23 C24 . -17.0(4)
O5 N2 C23 C24 . 163.3(3)
O6 N2 C23 C22 . 163.1(3)
O5 N2 C23 C22 . -16.7(4)
C22 C23 C24 C25 . -1.0(4)
N2 C23 C24 C25 . 179.1(2)
C23 C24 C25 C20 . -0.3(4)
C23 C24 C25 N1 . 179.5(2)
C21 C20 C25 C24 . 1.0(4)
C19 C20 C25 C24 . -179.1(2)
C21 C20 C25 N1 . -178.8(2)
C19 C20 C25 N1 . 1.1(3)
O4 N1 C25 C24 . -12.5(3)
O3 N1 C25 C24 . 165.9(2)
O4 N1 C25 C20 . 167.4(2)
O3 N1 C25 C20 . -14.2(3)
