#------------------------------------------------------------------------------
#$Date: 2015-08-08 04:58:35 +0200 (Sat 08 de Aug de 2015) $
#$Revision: 153253 $
#$URL: svn://www.crystallography.net/cod/cif/7/05/48/7054845.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_7054845
loop_
_publ_author_name
'Richards, Gary James'
'Gobo, Yuki'
'Yamamura, Masaki'
'Nabeshima, Tatsuya'
_publ_section_title
;
 Biphenyl appended BODIPY derivatives showing combined environmental
 polarity and heavy metal cation sensing functionality
;
_journal_issue                   8
_journal_name_full               'New J. Chem.'
_journal_page_first              5886
_journal_paper_doi               10.1039/C5NJ00611B
_journal_volume                  39
_journal_year                    2015
_chemical_formula_sum            'C48 H45 B F2 N2 O4'
_chemical_formula_weight         762.67
_chemical_name_systematic
;
 ?
;
_space_group_crystal_system      monoclinic
_space_group_IT_number           15
_space_group_name_Hall           '-C 2yc'
_space_group_name_H-M_alt        'C 1 2/c 1'
_symmetry_space_group_name_Hall  '-C 2yc'
_symmetry_space_group_name_H-M   'C 1 2/c 1'
_atom_sites_solution_hydrogens   geom
_audit_creation_method           SHELXL-2014
_audit_update_record
;
2014-09-25 deposited with the CCDC.
2015-05-11 downloaded from the CCDC.
;
_cell_angle_alpha                90
_cell_angle_beta                 115.449(2)
_cell_angle_gamma                90
_cell_formula_units_Z            4
_cell_length_a                   14.0234(6)
_cell_length_b                   28.7145(13)
_cell_length_c                   11.2040(5)
_cell_measurement_reflns_used    2001
_cell_measurement_temperature    120(2)
_cell_measurement_theta_max      27.01
_cell_measurement_theta_min      2.79
_cell_volume                     4073.8(3)
_computing_cell_refinement       'Bruker SAINT'
_computing_data_collection       'Bruker APEX2'
_computing_data_reduction        'Bruker SAINT'
_computing_molecular_graphics    ORTEP3
_computing_publication_material  'Bruker SHELXTL'
_computing_structure_refinement  'SHELXL-2014 (Sheldrick, 2014)'
_computing_structure_solution    'SHELXS-97 (Sheldrick, 2008)'
_diffrn_ambient_temperature      120(2)
_diffrn_measured_fraction_theta_full 1.000
_diffrn_measured_fraction_theta_max 0.990
_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  0.0322
_diffrn_reflns_av_unetI/netI     0.0223
_diffrn_reflns_laue_measured_fraction_full 1.000
_diffrn_reflns_laue_measured_fraction_max 0.990
_diffrn_reflns_limit_h_max       19
_diffrn_reflns_limit_h_min       -19
_diffrn_reflns_limit_k_max       40
_diffrn_reflns_limit_k_min       -40
_diffrn_reflns_limit_l_max       15
_diffrn_reflns_limit_l_min       -16
_diffrn_reflns_number            46847
_diffrn_reflns_point_group_measured_fraction_full 1.000
_diffrn_reflns_point_group_measured_fraction_max 0.990
_diffrn_reflns_theta_full        25.242
_diffrn_reflns_theta_max         30.627
_diffrn_reflns_theta_min         1.418
_exptl_absorpt_coefficient_mu    0.084
_exptl_absorpt_correction_T_max  0.989
_exptl_absorpt_correction_T_min  0.986
_exptl_absorpt_correction_type   empirical
_exptl_crystal_colour            'metallic purple'
_exptl_crystal_density_diffrn    1.243
_exptl_crystal_description       block
_exptl_crystal_F_000             1608
_exptl_crystal_size_max          0.470
_exptl_crystal_size_mid          0.140
_exptl_crystal_size_min          0.130
_refine_diff_density_max         0.391
_refine_diff_density_min         -0.343
_refine_diff_density_rms         0.050
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.021
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     265
_refine_ls_number_reflns         6233
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      1.021
_refine_ls_R_factor_all          0.0589
_refine_ls_R_factor_gt           0.0457
_refine_ls_shift/su_max          0.000
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'w=1/[σ²(Fo²)+(0.0300P)²+6.0000P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1026
_refine_ls_wR_factor_ref         0.1103
_reflns_Friedel_coverage         0.000
_reflns_number_gt                5035
_reflns_number_total             6233
_reflns_threshold_expression     'I > 2σ(I)'
_cod_data_source_file            c5nj00611b2.cif
_cod_data_source_block           Com164
_cod_depositor_comments
'Adding full bibliography for 7054844--7054845.cif.'
_cod_database_code               7054845
_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   0.961
_shelx_estimated_absorpt_t_max   0.989
_shelxl_version_number           2014-3
loop_
_space_group_symop_operation_xyz
'x, y, z'
'-x, y, -z+1/2'
'x+1/2, y+1/2, z'
'-x+1/2, y+1/2, -z+1/2'
'-x, -y, -z'
'x, -y, z-1/2'
'-x+1/2, -y+1/2, -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_site_symmetry_order
_atom_site_calc_flag
_atom_site_refinement_flags_posn
_atom_site_refinement_flags_adp
_atom_site_refinement_flags_occupancy
_atom_site_disorder_assembly
_atom_site_disorder_group
F1 F 0.07898(8) 0.25596(3) 0.83986(9) 0.0361(2) Uani 1 1 d . . . . .
O1 O 0.40327(8) 0.10569(3) 0.98691(9) 0.02388(19) Uani 1 1 d . . . . .
C1 C 0.34851(9) 0.12621(4) 0.75571(12) 0.0186(2) Uani 1 1 d . . . . .
H1 H 0.3444 0.1584 0.7721 0.022 Uiso 1 1 calc R U . . .
C2 C 0.09716(9) 0.20881(4) 0.60516(12) 0.0180(2) Uani 1 1 d . . . . .
H2 H 0.1067 0.2402 0.5856 0.022 Uiso 1 1 calc R U . . .
C3 C 0.33417(9) 0.06345(4) 0.60531(12) 0.0190(2) Uani 1 1 d . . . . .
H3 H 0.3200 0.0529 0.5190 0.023 Uiso 1 1 calc R U . . .
O2 O 0.37112(8) -0.01344(3) 0.67554(9) 0.0249(2) Uani 1 1 d . . . . .
C4 C 0.38556(10) 0.04651(4) 0.83637(12) 0.0203(2) Uani 1 1 d . . . . .
H4 H 0.4041 0.0248 0.9068 0.024 Uiso 1 1 calc R U . . .
C5 C 0.10303(9) 0.13079(4) 0.61114(12) 0.0178(2) Uani 1 1 d . . . . .
H5 H 0.1163 0.0991 0.5987 0.021 Uiso 1 1 calc R U . . .
N1 N 0.04634(8) 0.19570(3) 0.67779(10) 0.01668(19) Uani 1 1 d . . . . .
C6 C 0.39107(12) 0.15315(5) 1.01453(14) 0.0280(3) Uani 1 1 d . . . . .
H6 H 0.4356 0.1728 0.9878 0.042 Uiso 1 1 calc R U . . .
H7 H 0.4122 0.1569 1.1095 0.042 Uiso 1 1 calc R U . . .
H8 H 0.3170 0.1624 0.9653 0.042 Uiso 1 1 calc R U . . .
C7 C 0.37848(9) 0.09417(4) 0.85808(12) 0.0188(2) Uani 1 1 d . . . . .
C8 C 0.32439(9) 0.11028(4) 0.62740(12) 0.0176(2) Uani 1 1 d . . . . .
C9 C 0.28462(9) 0.14271(4) 0.51272(11) 0.0171(2) Uani 1 1 d . . . . .
C10 C 0.19514(9) 0.17095(4) 0.48262(11) 0.0169(2) Uani 1 1 d . . . . .
C11 C 0.13431(9) 0.16956(4) 0.56206(11) 0.0172(2) Uani 1 1 d . . . . .
B1 B 0.0000 0.22824(7) 0.7500 0.0203(4) Uani 1 2 d S T P . .
C12 C 0.36497(9) 0.03173(4) 0.71010(12) 0.0193(2) Uani 1 1 d . . . . .
C13 C 0.38617(13) -0.04837(5) 0.77219(14) 0.0303(3) Uani 1 1 d . . . . .
H9 H 0.4546 -0.0437 0.8481 0.046 Uiso 1 1 calc R U . . .
H10 H 0.3846 -0.0792 0.7337 0.046 Uiso 1 1 calc R U . . .
H11 H 0.3296 -0.0463 0.8013 0.046 Uiso 1 1 calc R U . . .
C14 C 0.33516(10) 0.14427(4) 0.42888(12) 0.0210(2) Uani 1 1 d . . . . .
H12 H 0.3958 0.1255 0.4483 0.025 Uiso 1 1 calc R U . . .
C15 C 0.29839(10) 0.17272(4) 0.31784(13) 0.0226(2) Uani 1 1 d . . . . .
H13 H 0.3340 0.1730 0.2623 0.027 Uiso 1 1 calc R U . . .
C16 C 0.20985(10) 0.20085(4) 0.28695(12) 0.0215(2) Uani 1 1 d . . . . .
C17 C 0.16030(10) 0.19980(4) 0.37109(12) 0.0199(2) Uani 1 1 d . . . . .
H14 H 0.1008 0.2193 0.3523 0.024 Uiso 1 1 calc R U . . .
C18 C 0.04794(9) 0.14714(4) 0.68265(11) 0.0166(2) Uani 1 1 d . . . . .
C19 C 0.0000 0.12266(6) 0.7500 0.0160(3) Uani 1 2 d S T P . .
C20 C 0.0000 0.07079(6) 0.7500 0.0176(3) Uani 1 2 d S T P . .
C21 C 0.06871(10) 0.04654(4) 0.86307(13) 0.0228(2) Uani 1 1 d . . . . .
C22 C 0.06713(13) -0.00200(5) 0.86032(15) 0.0304(3) Uani 1 1 d . . . . .
H15 H 0.1136 -0.0186 0.9365 0.036 Uiso 1 1 calc R U . . .
C23 C 0.0000 -0.02685(7) 0.7500 0.0326(4) Uani 1 2 d S T P . .
C24 C 0.14594(12) 0.07133(5) 0.98498(15) 0.0340(3) Uani 1 1 d . . . . .
H16 H 0.1829 0.0485 1.0546 0.051 Uiso 1 1 calc R U . . .
H17 H 0.1078 0.0933 1.0156 0.051 Uiso 1 1 calc R U . . .
H18 H 0.1974 0.0883 0.9639 0.051 Uiso 1 1 calc R U . . .
C25 C 0.16813(12) 0.23068(6) 0.16446(14) 0.0313(3) Uani 1 1 d . . . . .
H19 H 0.2260 0.2490 0.1615 0.047 Uiso 1 1 calc R U . . .
H20 H 0.1136 0.2517 0.1661 0.047 Uiso 1 1 calc R U . . .
H21 H 0.1376 0.2107 0.0860 0.047 Uiso 1 1 calc R U . . .
C26 C 0.0000 -0.07956(8) 0.7500 0.0525(7) Uani 1 2 d S T P . .
H22 H 0.0341 -0.0909 0.8412 0.079 Uiso 0.5 1 calc R U P A -1
H23 H 0.0388 -0.0909 0.7010 0.079 Uiso 0.5 1 calc R U P A -1
H24 H -0.0729 -0.0909 0.7078 0.079 Uiso 0.5 1 calc R U P A -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'
B B 0.0013 0.0007 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
F F 0.0171 0.0103 '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
C7 O1 C6 117.35(10) . .
C7 C1 C8 118.99(11) . .
C7 C1 H1 120.5 . .
C8 C1 H1 120.5 . .
N1 C2 C11 110.67(10) . .
N1 C2 H2 124.7 . .
C11 C2 H2 124.7 . .
C8 C3 C12 120.04(11) . .
C8 C3 H3 120.0 . .
C12 C3 H3 120.0 . .
C12 O2 C13 117.38(10) . .
C12 C4 C7 118.55(11) . .
C12 C4 H4 120.7 . .
C7 C4 H4 120.7 . .
C11 C5 C18 107.47(10) . .
C11 C5 H5 126.3 . .
C18 C5 H5 126.3 . .
C2 N1 C18 107.42(10) . .
C2 N1 B1 126.66(10) . .
C18 N1 B1 125.83(10) . .
O1 C6 H6 109.5 . .
O1 C6 H7 109.5 . .
H6 C6 H7 109.5 . .
O1 C6 H8 109.5 . .
H6 C6 H8 109.5 . .
H7 C6 H8 109.5 . .
O1 C7 C1 124.05(11) . .
O1 C7 C4 114.40(10) . .
C1 C7 C4 121.54(11) . .
C3 C8 C1 120.02(11) . .
C3 C8 C9 118.85(11) . .
C1 C8 C9 121.09(10) . .
C14 C9 C10 118.49(11) . .
C14 C9 C8 119.33(10) . .
C10 C9 C8 122.15(10) . .
C17 C10 C9 119.19(10) . .
C17 C10 C11 118.94(10) . .
C9 C10 C11 121.81(10) . .
C5 C11 C2 106.14(10) . .
C5 C11 C10 128.44(11) . .
C2 C11 C10 125.41(11) . .
F1 B1 F1 109.77(16) . 2_556
F1 B1 N1 110.03(5) . .
F1 B1 N1 110.55(5) 2_556 .
F1 B1 N1 110.55(5) . 2_556
F1 B1 N1 110.03(5) 2_556 2_556
N1 B1 N1 105.85(13) . 2_556
O2 C12 C4 124.75(11) . .
O2 C12 C3 114.47(11) . .
C4 C12 C3 120.78(11) . .
O2 C13 H9 109.5 . .
O2 C13 H10 109.5 . .
H9 C13 H10 109.5 . .
O2 C13 H11 109.5 . .
H9 C13 H11 109.5 . .
H10 C13 H11 109.5 . .
C15 C14 C9 121.32(11) . .
C15 C14 H12 119.3 . .
C9 C14 H12 119.3 . .
C14 C15 C16 120.74(11) . .
C14 C15 H13 119.6 . .
C16 C15 H13 119.6 . .
C17 C16 C15 118.03(11) . .
C17 C16 C25 121.21(12) . .
C15 C16 C25 120.75(12) . .
C16 C17 C10 122.21(11) . .
C16 C17 H14 118.9 . .
C10 C17 H14 118.9 . .
N1 C18 C19 121.38(11) . .
N1 C18 C5 108.29(10) . .
C19 C18 C5 130.33(11) . .
C18 C19 C18 119.56(15) . 2_556
C18 C19 C20 120.22(7) . .
C18 C19 C20 120.22(7) 2_556 .
C21 C20 C21 120.51(16) . 2_556
C21 C20 C19 119.75(8) . .
C21 C20 C19 119.75(8) 2_556 .
C22 C21 C20 118.55(13) . .
C22 C21 C24 119.37(12) . .
C20 C21 C24 122.06(12) . .
C23 C22 C21 122.17(14) . .
C23 C22 H15 118.9 . .
C21 C22 H15 118.9 . .
C22 C23 C22 118.06(18) 2_556 .
C22 C23 C26 120.97(9) 2_556 .
C22 C23 C26 120.97(9) . .
C21 C24 H16 109.5 . .
C21 C24 H17 109.5 . .
H16 C24 H17 109.5 . .
C21 C24 H18 109.5 . .
H16 C24 H18 109.5 . .
H17 C24 H18 109.5 . .
C16 C25 H19 109.5 . .
C16 C25 H20 109.5 . .
H19 C25 H20 109.5 . .
C16 C25 H21 109.5 . .
H19 C25 H21 109.5 . .
H20 C25 H21 109.5 . .
C23 C26 H22 109.5 . .
C23 C26 H23 109.5 . .
H22 C26 H23 109.5 . .
C23 C26 H24 109.5 . .
H22 C26 H24 109.5 . .
H23 C26 H24 109.5 . .
loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_site_symmetry_2
F1 B1 1.3841(14) .
O1 C7 1.3720(14) .
O1 C6 1.4241(15) .
C1 C7 1.3870(16) .
C1 C8 1.4044(16) .
C1 H1 0.9500 .
C2 N1 1.3453(15) .
C2 C11 1.4110(16) .
C2 H2 0.9500 .
C3 C8 1.3847(16) .
C3 C12 1.3996(16) .
C3 H3 0.9500 .
O2 C12 1.3668(14) .
O2 C13 1.4237(16) .
C4 C12 1.3834(17) .
C4 C7 1.4010(17) .
C4 H4 0.9500 .
C5 C11 1.3932(16) .
C5 C18 1.4111(16) .
C5 H5 0.9500 .
N1 C18 1.3952(15) .
N1 B1 1.5497(15) .
C6 H6 0.9800 .
C6 H7 0.9800 .
C6 H8 0.9800 .
C8 C9 1.4876(16) .
C9 C14 1.3997(16) .
C9 C10 1.4078(16) .
C10 C17 1.4007(16) .
C10 C11 1.4745(16) .
B1 F1 1.3842(14) 2_556
B1 N1 1.5497(15) 2_556
C13 H9 0.9800 .
C13 H10 0.9800 .
C13 H11 0.9800 .
C14 C15 1.3891(17) .
C14 H12 0.9500 .
C15 C16 1.3945(18) .
C15 H13 0.9500 .
C16 C17 1.3912(17) .
C16 C25 1.5064(17) .
C17 H14 0.9500 .
C18 C19 1.3971(14) .
C19 C18 1.3971(14) 2_556
C19 C20 1.489(2) .
C20 C21 1.4032(15) .
C20 C21 1.4032(15) 2_556
C21 C22 1.3941(18) .
C21 C24 1.5079(19) .
C22 C23 1.3868(18) .
C22 H15 0.9500 .
C23 C22 1.3868(18) 2_556
C23 C26 1.514(3) .
C24 H16 0.9800 .
C24 H17 0.9800 .
C24 H18 0.9800 .
C25 H19 0.9800 .
C25 H20 0.9800 .
C25 H21 0.9800 .
C26 H22 0.9800 .
C26 H23 0.9800 .
C26 H24 0.9800 .
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
_geom_torsion_site_symmetry_4
C11 C2 N1 C18 -0.70(13) . .
C11 C2 N1 B1 176.04(9) . .
C6 O1 C7 C1 3.91(18) . .
C6 O1 C7 C4 -176.00(11) . .
C8 C1 C7 O1 -179.65(11) . .
C8 C1 C7 C4 0.25(18) . .
C12 C4 C7 O1 -178.15(11) . .
C12 C4 C7 C1 1.93(18) . .
C12 C3 C8 C1 1.96(18) . .
C12 C3 C8 C9 -175.95(11) . .
C7 C1 C8 C3 -2.21(17) . .
C7 C1 C8 C9 175.66(11) . .
C3 C8 C9 C14 -54.57(16) . .
C1 C8 C9 C14 127.54(13) . .
C3 C8 C9 C10 123.22(13) . .
C1 C8 C9 C10 -54.67(16) . .
C14 C9 C10 C17 -0.51(17) . .
C8 C9 C10 C17 -178.32(11) . .
C14 C9 C10 C11 176.86(11) . .
C8 C9 C10 C11 -0.95(18) . .
C18 C5 C11 C2 -0.04(13) . .
C18 C5 C11 C10 179.15(11) . .
N1 C2 C11 C5 0.47(13) . .
N1 C2 C11 C10 -178.76(11) . .
C17 C10 C11 C5 133.92(13) . .
C9 C10 C11 C5 -43.45(18) . .
C17 C10 C11 C2 -47.03(17) . .
C9 C10 C11 C2 135.59(13) . .
C2 N1 B1 F1 -58.69(14) . .
C18 N1 B1 F1 117.48(13) . .
C2 N1 B1 F1 62.73(14) . 2_556
C18 N1 B1 F1 -121.10(13) . 2_556
C2 N1 B1 N1 -178.15(13) . 2_556
C18 N1 B1 N1 -1.98(8) . 2_556
C13 O2 C12 C4 8.64(18) . .
C13 O2 C12 C3 -170.67(11) . .
C7 C4 C12 O2 178.54(11) . .
C7 C4 C12 C3 -2.19(18) . .
C8 C3 C12 O2 179.62(11) . .
C8 C3 C12 C4 0.28(18) . .
C10 C9 C14 C15 -0.31(18) . .
C8 C9 C14 C15 177.56(11) . .
C9 C14 C15 C16 0.3(2) . .
C14 C15 C16 C17 0.52(19) . .
C14 C15 C16 C25 -178.26(13) . .
C15 C16 C17 C10 -1.37(19) . .
C25 C16 C17 C10 177.40(12) . .
C9 C10 C17 C16 1.38(18) . .
C11 C10 C17 C16 -176.07(11) . .
C2 N1 C18 C19 -179.20(9) . .
B1 N1 C18 C19 4.02(16) . .
C2 N1 C18 C5 0.67(13) . .
B1 N1 C18 C5 -176.11(8) . .
C11 C5 C18 N1 -0.38(13) . .
C11 C5 C18 C19 179.47(10) . .
N1 C18 C19 C18 -1.93(7) . 2_556
C5 C18 C19 C18 178.24(14) . 2_556
N1 C18 C19 C20 178.07(7) . .
C5 C18 C19 C20 -1.76(14) . .
C18 C19 C20 C21 104.24(8) . .
C18 C19 C20 C21 -75.77(8) 2_556 .
C18 C19 C20 C21 -75.76(8) . 2_556
C18 C19 C20 C21 104.24(8) 2_556 2_556
C21 C20 C21 C22 0.06(10) 2_556 .
C19 C20 C21 C22 -179.94(10) . .
C21 C20 C21 C24 178.14(15) 2_556 .
C19 C20 C21 C24 -1.86(15) . .
C20 C21 C22 C23 -0.1(2) . .
C24 C21 C22 C23 -178.26(12) . .
C21 C22 C23 C22 0.07(10) . 2_556
C21 C22 C23 C26 -179.94(10) . .
