#------------------------------------------------------------------------------
#$Date: 2016-03-26 19:41:24 +0100 (Sat 26 de Mar de 2016) $
#$Revision: 180444 $
#$URL: svn://www.crystallography.net/cod/cif/7/21/13/7211378.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_7211378
loop_
_publ_author_name
'Gu, Jin-Zhong'
'Kirillov, Alexander M.'
'Wu, Jiang'
'Lv, Dong-Yu'
'Tang, Yu'
'Wu, Jin-Cai'
_publ_section_title
;
 Synthesis, structural versatility, luminescent and magnetic properties of
 a series of coordination polymers constructed from
 biphenyl-2,4,4′-tricarboxylate and different N-donor ligands
;
_journal_issue                   47
_journal_name_full               CrystEngComm
_journal_page_first              10287
_journal_paper_doi               10.1039/c3ce41457d
_journal_volume                  15
_journal_year                    2013
_chemical_formula_sum            'C27 H16 N2 O6 Pb'
_chemical_formula_weight         671.61
_chemical_name_systematic
;
?
;
_space_group_IT_number           14
_symmetry_cell_setting           monoclinic
_symmetry_space_group_name_Hall  '-P 2yn'
_symmetry_space_group_name_H-M   'P 1 21/n 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                 111.832(9)
_cell_angle_gamma                90.00
_cell_formula_units_Z            4
_cell_length_a                   9.5262(19)
_cell_length_b                   21.006(4)
_cell_length_c                   12.489(2)
_cell_measurement_temperature    296(2)
_cell_volume                     2319.9(8)
_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-97 (Sheldrick, 2008)'
_computing_structure_solution    'SHELXS-97 (Sheldrick, 2008)'
_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_monochromator  graphite
_diffrn_radiation_source         'fine-focus sealed tube'
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_reflns_av_R_equivalents  0.0355
_diffrn_reflns_av_sigmaI/netI    0.0415
_diffrn_reflns_limit_h_max       8
_diffrn_reflns_limit_h_min       -11
_diffrn_reflns_limit_k_max       24
_diffrn_reflns_limit_k_min       -24
_diffrn_reflns_limit_l_max       14
_diffrn_reflns_limit_l_min       -14
_diffrn_reflns_number            11790
_diffrn_reflns_theta_full        25.00
_diffrn_reflns_theta_max         25.00
_diffrn_reflns_theta_min         1.94
_exptl_absorpt_coefficient_mu    7.320
_exptl_absorpt_correction_T_max  0.2725
_exptl_absorpt_correction_T_min  0.2337
_exptl_absorpt_correction_type   multi-scan
_exptl_crystal_colour            colorless
_exptl_crystal_density_diffrn    1.923
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       block
_exptl_crystal_F_000             1288
_exptl_crystal_size_max          0.28
_exptl_crystal_size_mid          0.26
_exptl_crystal_size_min          0.24
_refine_diff_density_max         0.511
_refine_diff_density_min         -0.539
_refine_diff_density_rms         0.103
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   0.998
_refine_ls_hydrogen_treatment    mixed
_refine_ls_matrix_type           full
_refine_ls_number_parameters     326
_refine_ls_number_reflns         4076
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      0.998
_refine_ls_R_factor_all          0.0380
_refine_ls_R_factor_gt           0.0251
_refine_ls_shift/su_max          0.002
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'calc w=1/[σ²(Fo²)+(0.0244P)²+0.0000P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0509
_refine_ls_wR_factor_ref         0.0546
_reflns_number_gt                3259
_reflns_number_total             4076
_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            c3ce41457d.txt
_cod_data_source_block           p21n
_cod_depositor_comments
;
The following automatic conversions were performed:

'_symmetry_cell_setting' value 'Monoclinic' changed to 'monoclinic'
according to /home/saulius/struct/CIF-dictionaries/cif_core.dic
dictionary named 'cif_core.dic' version 2.4.2 from 2011-04-26.

Automatic conversion script
Id: cif_fix_values 1891 2012-01-12 08:04:46Z andrius 
;
_cod_original_sg_symbol_H-M      P2(1)/n
_cod_database_code               7211378
loop_
_symmetry_equiv_pos_as_xyz
'x, y, z'
'-x+1/2, y+1/2, -z+1/2'
'-x, -y, -z'
'x-1/2, -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_symmetry_multiplicity
_atom_site_calc_flag
_atom_site_refinement_flags
Pb1 Pb 0.976192(18) 0.039043(8) 0.842243(15) 0.02721(7) Uani 1 1 d .
N1 N 0.8974(5) 0.0457(2) 0.6259(4) 0.0425(11) Uani 1 1 d .
N2 N 0.7560(5) -0.0344(2) 0.7269(4) 0.0424(11) Uani 1 1 d .
O1 O 0.8022(4) 0.14728(19) 0.7954(4) 0.0610(12) Uani 1 1 d .
O2 O 0.9127(4) 0.22414(19) 0.7344(4) 0.0631(12) Uani 1 1 d .
H2 H 0.9894 0.2040 0.7710 0.095 Uiso 1 1 calc R
O3 O 0.3006(4) 0.47295(15) 0.4796(3) 0.0390(9) Uani 1 1 d .
O4 O 0.4005(3) 0.43982(15) 0.6611(3) 0.0345(8) Uani 1 1 d .
O5 O -0.2721(4) 0.42828(19) 0.3349(3) 0.0466(9) Uani 1 1 d .
O6 O -0.3378(4) 0.3299(2) 0.3601(4) 0.0785(15) Uani 1 1 d .
C1 C 0.7970(5) 0.1990(2) 0.7508(4) 0.0355(12) Uani 1 1 d .
C2 C 0.6569(5) 0.2370(2) 0.7091(4) 0.0309(11) Uani 1 1 d .
C3 C 0.5536(5) 0.2259(2) 0.7608(4) 0.0381(13) Uani 1 1 d .
H3 H 0.5773 0.1975 0.8222 0.046 Uiso 1 1 calc R
C4 C 0.4152(5) 0.2567(2) 0.7223(4) 0.0379(13) Uani 1 1 d .
H4 H 0.3481 0.2496 0.7593 0.045 Uiso 1 1 calc R
C5 C 0.3755(5) 0.2979(2) 0.6292(4) 0.0269(11) Uani 1 1 d .
C6 C 0.4807(5) 0.3085(2) 0.5780(4) 0.0318(11) Uani 1 1 d .
H6 H 0.4566 0.3359 0.5153 0.038 Uiso 1 1 calc R
C7 C 0.6201(5) 0.2789(2) 0.6186(4) 0.0358(12) Uani 1 1 d .
H7 H 0.6896 0.2875 0.5844 0.043 Uiso 1 1 calc R
C8 C 0.2198(5) 0.3232(2) 0.5778(4) 0.0257(11) Uani 1 1 d .
C9 C 0.1839(4) 0.3851(2) 0.5347(4) 0.0243(10) Uani 1 1 d .
C10 C 0.0344(5) 0.4015(2) 0.4721(4) 0.0267(11) Uani 1 1 d .
H10 H 0.0117 0.4426 0.4431 0.032 Uiso 1 1 calc R
C11 C -0.0817(5) 0.3576(2) 0.4518(4) 0.0266(11) Uani 1 1 d .
C12 C -0.0477(5) 0.2973(2) 0.4987(4) 0.0361(13) Uani 1 1 d .
H12 H -0.1248 0.2680 0.4887 0.043 Uiso 1 1 calc R
C13 C 0.1014(5) 0.2804(2) 0.5607(4) 0.0321(12) Uani 1 1 d .
H13 H 0.1228 0.2396 0.5917 0.039 Uiso 1 1 calc R
C14 C 0.3035(5) 0.4360(2) 0.5584(4) 0.0260(11) Uani 1 1 d .
C15 C -0.2423(5) 0.3734(3) 0.3765(4) 0.0377(13) Uani 1 1 d .
C16 C 0.9618(7) 0.0863(3) 0.5771(6) 0.0612(18) Uani 1 1 d .
H16 H 1.0367 0.1136 0.6234 0.073 Uiso 1 1 calc R
C17 C 0.9194(9) 0.0890(4) 0.4568(6) 0.082(3) Uani 1 1 d .
H17 H 0.9648 0.1182 0.4238 0.098 Uiso 1 1 calc R
C18 C 0.8122(9) 0.0489(5) 0.3893(6) 0.094(3) Uani 1 1 d .
H18 H 0.7848 0.0501 0.3097 0.113 Uiso 1 1 calc R
C19 C 0.7421(7) 0.0056(4) 0.4384(6) 0.071(2) Uani 1 1 d .
C20 C 0.7871(6) 0.0059(3) 0.5578(5) 0.0486(16) Uani 1 1 d .
C21 C 0.6308(9) -0.0382(5) 0.3698(7) 0.101(3) Uani 1 1 d .
H21 H 0.6038 -0.0389 0.2902 0.121 Uiso 1 1 calc R
C22 C 0.5653(9) -0.0784(5) 0.4201(8) 0.110(4) Uani 1 1 d .
H22 H 0.4912 -0.1059 0.3736 0.132 Uiso 1 1 calc R
C23 C 0.6040(7) -0.0809(4) 0.5422(6) 0.068(2) Uani 1 1 d .
C24 C 0.7152(6) -0.0374(3) 0.6106(5) 0.0473(15) Uani 1 1 d .
C25 C 0.5393(8) -0.1214(4) 0.6001(8) 0.084(2) Uani 1 1 d .
H25 H 0.4675 -0.1512 0.5586 0.101 Uiso 1 1 calc R
C26 C 0.5798(7) -0.1176(3) 0.7144(7) 0.081(2) Uani 1 1 d .
H26 H 0.5356 -0.1442 0.7525 0.097 Uiso 1 1 calc R
C27 C 0.6887(6) -0.0733(3) 0.7762(6) 0.0569(17) Uani 1 1 d .
H27 H 0.7153 -0.0709 0.8557 0.068 Uiso 1 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'
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'
Pb Pb -3.3944 10.1111 '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
O4 Pb1 N1 88.98(12) 2_646 .
O4 Pb1 O5 76.01(12) 2_646 4_766
N1 Pb1 O5 81.64(13) . 4_766
O4 Pb1 N2 76.81(12) 2_646 .
N1 Pb1 N2 65.03(15) . .
O5 Pb1 N2 136.89(13) 4_766 .
O4 Pb1 O1 167.41(12) 2_646 .
N1 Pb1 O1 79.09(13) . .
O5 Pb1 O1 105.84(12) 4_766 .
N2 Pb1 O1 94.33(13) . .
C16 N1 C20 119.3(5) . .
C16 N1 Pb1 121.6(4) . .
C20 N1 Pb1 119.1(4) . .
C27 N2 C24 118.2(5) . .
C27 N2 Pb1 123.1(4) . .
C24 N2 Pb1 118.5(4) . .
C1 O1 Pb1 139.3(3) . .
C1 O2 H2 109.5 . .
C14 O4 Pb1 102.3(3) . 2_656
C15 O5 Pb1 107.9(3) . 4_465
O1 C1 O2 122.8(4) . .
O1 C1 C2 121.6(4) . .
O2 C1 C2 115.6(4) . .
C7 C2 C3 119.0(4) . .
C7 C2 C1 124.1(4) . .
C3 C2 C1 116.9(4) . .
C2 C3 C4 120.7(5) . .
C2 C3 H3 119.7 . .
C4 C3 H3 119.7 . .
C3 C4 C5 120.8(4) . .
C3 C4 H4 119.6 . .
C5 C4 H4 119.6 . .
C4 C5 C6 117.8(4) . .
C4 C5 C8 120.4(4) . .
C6 C5 C8 121.4(4) . .
C7 C6 C5 121.2(4) . .
C7 C6 H6 119.4 . .
C5 C6 H6 119.4 . .
C2 C7 C6 120.6(4) . .
C2 C7 H7 119.7 . .
C6 C7 H7 119.7 . .
C13 C8 C9 118.2(4) . .
C13 C8 C5 117.3(4) . .
C9 C8 C5 124.2(4) . .
C10 C9 C8 119.9(4) . .
C10 C9 C14 118.4(4) . .
C8 C9 C14 121.6(4) . .
C9 C10 C11 121.2(4) . .
C9 C10 H10 119.4 . .
C11 C10 H10 119.4 . .
C12 C11 C10 119.1(4) . .
C12 C11 C15 119.4(4) . .
C10 C11 C15 121.5(4) . .
C11 C12 C13 120.1(4) . .
C11 C12 H12 120.0 . .
C13 C12 H12 120.0 . .
C12 C13 C8 121.5(4) . .
C12 C13 H13 119.3 . .
C8 C13 H13 119.3 . .
O3 C14 O4 123.4(4) . .
O3 C14 C9 119.5(4) . .
O4 C14 C9 117.0(4) . .
O6 C15 O5 124.4(5) . .
O6 C15 C11 116.7(5) . .
O5 C15 C11 118.9(5) . .
N1 C16 C17 121.4(7) . .
N1 C16 H16 119.3 . .
C17 C16 H16 119.3 . .
C18 C17 C16 119.5(7) . .
C18 C17 H17 120.3 . .
C16 C17 H17 120.3 . .
C17 C18 C19 120.5(7) . .
C17 C18 H18 119.8 . .
C19 C18 H18 119.8 . .
C20 C19 C18 117.4(7) . .
C20 C19 C21 120.8(8) . .
C18 C19 C21 121.8(8) . .
N1 C20 C19 122.0(7) . .
N1 C20 C24 119.3(5) . .
C19 C20 C24 118.6(6) . .
C22 C21 C19 119.9(8) . .
C22 C21 H21 120.0 . .
C19 C21 H21 120.0 . .
C21 C22 C23 123.0(8) . .
C21 C22 H22 118.5 . .
C23 C22 H22 118.5 . .
C25 C23 C24 117.0(7) . .
C25 C23 C22 125.8(8) . .
C24 C23 C22 117.1(8) . .
N2 C24 C23 121.8(6) . .
N2 C24 C20 117.7(5) . .
C23 C24 C20 120.5(6) . .
C26 C25 C23 120.6(7) . .
C26 C25 H25 119.7 . .
C23 C25 H25 119.7 . .
C25 C26 C27 119.4(7) . .
C25 C26 H26 120.3 . .
C27 C26 H26 120.3 . .
N2 C27 C26 123.0(7) . .
N2 C27 H27 118.5 . .
C26 C27 H27 118.5 . .
loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_site_symmetry_2
Pb1 O4 2.400(3) 2_646
Pb1 N1 2.525(4) .
Pb1 O5 2.528(3) 4_766
Pb1 N2 2.570(4) .
Pb1 O1 2.745(4) .
N1 C16 1.324(7) .
N1 C20 1.364(7) .
N2 C27 1.323(7) .
N2 C24 1.358(7) .
O1 C1 1.213(6) .
O2 C1 1.306(5) .
O2 H2 0.8200 .
O3 C14 1.246(5) .
O4 C14 1.274(5) .
O4 Pb1 2.400(3) 2_656
O5 C15 1.254(6) .
O5 Pb1 2.528(3) 4_465
O6 C15 1.252(6) .
C1 C2 1.474(6) .
C2 C7 1.372(6) .
C2 C3 1.384(6) .
C3 C4 1.384(6) .
C3 H3 0.9300 .
C4 C5 1.385(6) .
C4 H4 0.9300 .
C5 C6 1.393(6) .
C5 C8 1.478(6) .
C6 C7 1.380(6) .
C6 H6 0.9300 .
C7 H7 0.9300 .
C8 C13 1.395(6) .
C8 C9 1.401(6) .
C9 C10 1.389(6) .
C9 C14 1.509(6) .
C10 C11 1.389(6) .
C10 H10 0.9300 .
C11 C12 1.383(6) .
C11 C15 1.505(6) .
C12 C13 1.387(6) .
C12 H12 0.9300 .
C13 H13 0.9300 .
C16 C17 1.405(9) .
C16 H16 0.9300 .
C17 C18 1.350(10) .
C17 H17 0.9300 .
C18 C19 1.397(11) .
C18 H18 0.9300 .
C19 C20 1.390(8) .
C19 C21 1.424(11) .
C20 C24 1.438(8) .
C21 C22 1.337(12) .
C21 H21 0.9300 .
C22 C23 1.431(11) .
C22 H22 0.9300 .
C23 C25 1.398(10) .
C23 C24 1.419(8) .
C25 C26 1.336(10) .
C25 H25 0.9300 .
C26 C27 1.394(8) .
C26 H26 0.9300 .
C27 H27 0.9300 .
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
_geom_torsion_site_symmetry_1
O4 Pb1 N1 C16 -106.9(4) 2_646
O5 Pb1 N1 C16 -30.9(4) 4_766
N2 Pb1 N1 C16 177.2(4) .
O1 Pb1 N1 C16 77.2(4) .
O4 Pb1 N1 C20 72.3(4) 2_646
O5 Pb1 N1 C20 148.3(4) 4_766
N2 Pb1 N1 C20 -3.6(3) .
O1 Pb1 N1 C20 -103.6(4) .
O4 Pb1 N2 C27 84.5(4) 2_646
N1 Pb1 N2 C27 179.6(5) .
O5 Pb1 N2 C27 136.6(4) 4_766
O1 Pb1 N2 C27 -104.6(4) .
O4 Pb1 N2 C24 -89.8(4) 2_646
N1 Pb1 N2 C24 5.3(3) .
O5 Pb1 N2 C24 -37.7(4) 4_766
O1 Pb1 N2 C24 81.1(4) .
O4 Pb1 O1 C1 -76.4(8) 2_646
N1 Pb1 O1 C1 -57.7(6) .
O5 Pb1 O1 C1 20.3(6) 4_766
N2 Pb1 O1 C1 -121.2(6) .
Pb1 O1 C1 O2 -18.7(9) .
Pb1 O1 C1 C2 159.9(4) .
O1 C1 C2 C7 -150.5(5) .
O2 C1 C2 C7 28.2(8) .
O1 C1 C2 C3 25.3(8) .
O2 C1 C2 C3 -156.0(5) .
C7 C2 C3 C4 -0.1(8) .
C1 C2 C3 C4 -176.1(5) .
C2 C3 C4 C5 1.7(8) .
C3 C4 C5 C6 -1.6(8) .
C3 C4 C5 C8 170.9(5) .
C4 C5 C6 C7 -0.1(7) .
C8 C5 C6 C7 -172.5(4) .
C3 C2 C7 C6 -1.6(8) .
C1 C2 C7 C6 174.1(5) .
C5 C6 C7 C2 1.7(8) .
C4 C5 C8 C13 -43.7(6) .
C6 C5 C8 C13 128.6(5) .
C4 C5 C8 C9 143.1(5) .
C6 C5 C8 C9 -44.6(7) .
C13 C8 C9 C10 -3.1(6) .
C5 C8 C9 C10 170.0(4) .
C13 C8 C9 C14 174.5(4) .
C5 C8 C9 C14 -12.4(7) .
C8 C9 C10 C11 0.6(6) .
C14 C9 C10 C11 -177.1(4) .
C9 C10 C11 C12 2.4(6) .
C9 C10 C11 C15 -175.3(4) .
C10 C11 C12 C13 -2.8(7) .
C15 C11 C12 C13 174.9(4) .
C11 C12 C13 C8 0.2(7) .
C9 C8 C13 C12 2.7(7) .
C5 C8 C13 C12 -170.8(4) .
Pb1 O4 C14 O3 9.1(5) 2_656
Pb1 O4 C14 C9 -168.6(3) 2_656
C10 C9 C14 O3 -43.9(6) .
C8 C9 C14 O3 138.4(5) .
C10 C9 C14 O4 133.8(4) .
C8 C9 C14 O4 -43.8(6) .
Pb1 O5 C15 O6 38.9(6) 4_465
Pb1 O5 C15 C11 -140.9(3) 4_465
C12 C11 C15 O6 -0.2(7) .
C10 C11 C15 O6 177.4(5) .
C12 C11 C15 O5 179.6(4) .
C10 C11 C15 O5 -2.7(7) .
C20 N1 C16 C17 -0.3(8) .
Pb1 N1 C16 C17 178.9(4) .
N1 C16 C17 C18 -0.9(10) .
C16 C17 C18 C19 0.9(11) .
C17 C18 C19 C20 0.2(10) .
C17 C18 C19 C21 -178.7(6) .
C16 N1 C20 C19 1.5(8) .
Pb1 N1 C20 C19 -177.7(4) .
C16 N1 C20 C24 -178.9(5) .
Pb1 N1 C20 C24 1.9(6) .
C18 C19 C20 N1 -1.4(9) .
C21 C19 C20 N1 177.5(6) .
C18 C19 C20 C24 179.0(5) .
C21 C19 C20 C24 -2.1(9) .
C20 C19 C21 C22 1.9(12) .
C18 C19 C21 C22 -179.2(8) .
C19 C21 C22 C23 -1.5(14) .
C21 C22 C23 C25 179.6(8) .
C21 C22 C23 C24 1.3(12) .
C27 N2 C24 C23 -0.3(8) .
Pb1 N2 C24 C23 174.3(4) .
C27 N2 C24 C20 178.9(5) .
Pb1 N2 C24 C20 -6.6(6) .
C25 C23 C24 N2 -0.8(8) .
C22 C23 C24 N2 177.6(6) .
C25 C23 C24 C20 -179.9(5) .
C22 C23 C24 C20 -1.5(8) .
N1 C20 C24 N2 3.2(7) .
C19 C20 C24 N2 -177.2(5) .
N1 C20 C24 C23 -177.7(5) .
C19 C20 C24 C23 2.0(8) .
C24 C23 C25 C26 1.3(10) .
C22 C23 C25 C26 -177.0(7) .
C23 C25 C26 C27 -0.7(11) .
C24 N2 C27 C26 0.9(9) .
Pb1 N2 C27 C26 -173.4(4) .
C25 C26 C27 N2 -0.5(10) .
