#------------------------------------------------------------------------------
#$Date: 2025-03-04 21:47:03 +0200 (Tue, 04 Mar 2025) $
#$Revision: 298196 $
#$URL: file:///home/coder/svn-repositories/cod/cif/7/24/96/7249678.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_7249678
loop_
_publ_author_name
'Ngom, Fallou'
'Blais, Chloé'
'Badiane, Insa'
'Hénaff, Christine'
'Camara, Magatte'
'Daiguebonne, Carole'
'Guillou, Olivier'
_publ_section_title
;
 Influence of halogens on the crystal packing of
 3,4,5,6-tetra-chloro-phthalate-based lanthanide coordination compounds
;
_journal_issue                   2
_journal_name_full               CrystEngComm
_journal_page_first              210
_journal_page_last               225
_journal_paper_doi               10.1039/D4CE00966E
_journal_volume                  27
_journal_year                    2025
_chemical_formula_sum            'C16 H14 Cl8 K O15 Tb'
_chemical_formula_weight         927.89
_space_group_crystal_system      triclinic
_space_group_IT_number           2
_space_group_name_Hall           '-P 1'
_space_group_name_H-M_alt        'P -1'
_atom_sites_solution_hydrogens   difmap
_audit_creation_method           SHELXL-2018/3
_audit_update_record
;
2024-10-28 deposited with the CCDC.	2024-11-27 downloaded from the CCDC.
;
_cell_angle_alpha                90.302(2)
_cell_angle_beta                 97.300(2)
_cell_angle_gamma                102.131(2)
_cell_formula_units_Z            2
_cell_length_a                   8.7604(5)
_cell_length_b                   11.5722(6)
_cell_length_c                   13.8453(7)
_cell_measurement_reflns_used    9851
_cell_measurement_temperature    150(2)
_cell_measurement_theta_max      27.4870
_cell_measurement_theta_min      2.2955
_cell_volume                     1360.39(13)
_computing_structure_refinement  'SHELXL-2018/3 (Sheldrick, 2018)'
_diffrn_ambient_temperature      150(2)
_diffrn_measured_fraction_theta_full 0.990
_diffrn_measured_fraction_theta_max 0.983
_diffrn_measurement_device_type  'D8 VENTURE Bruker AXS'
_diffrn_measurement_method       'rotation images'
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_reflns_av_R_equivalents  0.0149
_diffrn_reflns_av_unetI/netI     0.0187
_diffrn_reflns_Laue_measured_fraction_full 0.990
_diffrn_reflns_Laue_measured_fraction_max 0.983
_diffrn_reflns_limit_h_max       10
_diffrn_reflns_limit_h_min       -11
_diffrn_reflns_limit_k_max       15
_diffrn_reflns_limit_k_min       -15
_diffrn_reflns_limit_l_max       17
_diffrn_reflns_limit_l_min       -17
_diffrn_reflns_number            15418
_diffrn_reflns_point_group_measured_fraction_full 0.990
_diffrn_reflns_point_group_measured_fraction_max 0.983
_diffrn_reflns_theta_full        25.242
_diffrn_reflns_theta_max         27.499
_diffrn_reflns_theta_min         2.371
_exptl_absorpt_coefficient_mu    3.610
_exptl_absorpt_correction_T_max  0.7456
_exptl_absorpt_correction_T_min  0.6438
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details
;
  [Sheldrick, G.M. (2014). SADABS Bruker AXS Inc., Madison, Wisconsin, USA]
;
_exptl_crystal_colour            colorless
_exptl_crystal_density_diffrn    2.265
_exptl_crystal_description       prism
_exptl_crystal_F_000             900
_exptl_crystal_size_max          0.250
_exptl_crystal_size_mid          0.150
_exptl_crystal_size_min          0.100
_refine_diff_density_max         0.405
_refine_diff_density_min         -0.341
_refine_diff_density_rms         0.063
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.077
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     412
_refine_ls_number_reflns         6146
_refine_ls_number_restraints     21
_refine_ls_restrained_S_all      1.079
_refine_ls_R_factor_all          0.0137
_refine_ls_R_factor_gt           0.0133
_refine_ls_shift/su_max          0.003
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'w=1/[σ²(Fo²)+(0.0085P)²+0.9140P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0312
_refine_ls_wR_factor_ref         0.0313
_reflns_Friedel_coverage         0.000
_reflns_number_gt                6020
_reflns_number_total             6146
_reflns_threshold_expression     'I > 2σ(I)'
_cod_data_source_file            d4ce00966e2.cif
_cod_data_source_block           shelx_CCDC2
_cod_depositor_comments
'Adding full bibliography for 7249676--7249681.cif.'
_cod_database_code               7249678
_shelx_shelxl_version_number     2018/3
_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.
;
loop_
_space_group_symop_operation_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_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
Tb1 Tb 0.49390(2) 0.94013(2) 0.72645(2) 0.00932(3) Uani 1 1 d . . . . .
K1 K 0.91758(4) 1.16573(3) 0.84726(3) 0.01617(7) Uani 1 1 d . . . . .
Cl1 Cl 0.98163(5) 0.72128(3) 0.74743(3) 0.01663(8) Uani 1 1 d . . . . .
Cl2 Cl 0.94998(5) 0.45453(3) 0.79688(3) 0.01614(8) Uani 1 1 d . . . . .
Cl3 Cl 0.78523(5) 0.35797(3) 0.97570(3) 0.01661(8) Uani 1 1 d . . . . .
Cl4 Cl 0.64914(5) 0.52584(3) 1.10089(3) 0.01694(8) Uani 1 1 d . . . . .
Cl5 Cl 0.13980(5) 0.54522(3) 0.60783(3) 0.01712(8) Uani 1 1 d . . . . .
Cl6 Cl 0.24027(5) 0.34634(3) 0.49465(3) 0.01857(8) Uani 1 1 d . . . . .
Cl7 Cl 0.43520(5) 0.40960(3) 0.32201(3) 0.01752(8) Uani 1 1 d . . . . .
Cl8 Cl 0.51888(5) 0.67226(3) 0.26004(3) 0.01942(8) Uani 1 1 d . . . . .
O1 O 0.70691(14) 0.87812(10) 0.80191(8) 0.0180(2) Uani 1 1 d . . . . .
O2 O 0.92876(16) 0.94441(10) 0.89987(10) 0.0239(3) Uani 1 1 d . . . . .
O3 O 0.56112(14) 0.81092(10) 1.00537(8) 0.0171(2) Uani 1 1 d . . . . .
O4 O 0.76383(14) 0.81187(10) 1.12072(8) 0.0180(2) Uani 1 1 d . . . . .
O5 O 0.30012(14) 0.82207(10) 0.62228(8) 0.0160(2) Uani 1 1 d . . . . .
O6 O 0.12316(15) 0.83756(11) 0.49532(9) 0.0203(3) Uani 1 1 d . . . . .
O7 O 0.32846(14) 0.87517(10) 0.29374(8) 0.0162(2) Uani 1 1 d . . . . .
O8 O 0.52620(13) 0.91836(9) 0.41197(8) 0.0146(2) Uani 1 1 d . . . . .
O9 O 0.54283(15) 1.03499(10) 0.88362(8) 0.0171(2) Uani 1 1 d D . . . .
H9A H 0.621153 1.034664 0.923625 0.026 Uiso 1 1 d DG U . . .
H9B H 0.499411 1.084898 0.906451 0.026 Uiso 1 1 d DG U . . .
O10 O 0.27083(14) 1.01533(11) 0.75517(9) 0.0185(2) Uani 1 1 d D . . . .
H10A H 0.185535 0.998688 0.718880 0.028 Uiso 1 1 d DG U . . .
H10B H 0.266676 1.069437 0.795264 0.028 Uiso 1 1 d DG U . . .
O11 O 0.38804(16) 0.78440(11) 0.82998(9) 0.0210(3) Uani 1 1 d D . . . .
H11A H 0.442809 0.782233 0.883562 0.031 Uiso 1 1 d DG U . . .
H11B H 0.318968 0.726999 0.816094 0.031 Uiso 1 1 d DG U . . .
O12 O 0.63977(14) 0.88816(10) 0.60466(8) 0.0166(2) Uani 1 1 d D . . . .
H12A H 0.612458 0.898005 0.544126 0.025 Uiso 1 1 d DG U . . .
H12B H 0.739068 0.899597 0.618772 0.025 Uiso 1 1 d DG U . . .
O13 O 0.98361(16) 0.96225(11) 0.62321(9) 0.0215(3) Uani 1 1 d D . . . .
H13A H 1.023335 0.924920 0.585424 0.032 Uiso 1 1 d DG U . . .
H13B H 0.975791 1.026372 0.600441 0.032 Uiso 1 1 d DG U . . .
O14 O 1.04530(18) 1.24275(15) 0.68885(10) 0.0345(3) Uani 1 1 d D . . . .
H14A H 1.002392 1.230881 0.631257 0.052 Uiso 1 1 d DG U . . .
H14B H 1.135668 1.276892 0.687218 0.052 Uiso 1 1 d DG U . . .
O15 O 0.79059(15) 1.10305(11) 1.02636(9) 0.0193(2) Uani 1 1 d D . . . .
H15A H 0.873762 1.080644 1.046722 0.029 Uiso 1 1 d DG U . . .
H15B H 0.743805 1.111511 1.073871 0.029 Uiso 1 1 d DG U . . .
C1 C 0.81965(19) 0.86494(13) 0.86375(11) 0.0124(3) Uani 1 1 d . . . . .
C2 C 0.81662(18) 0.73891(13) 0.89576(11) 0.0111(3) Uani 1 1 d . . . . .
C3 C 0.88376(18) 0.66480(13) 0.84266(11) 0.0118(3) Uani 1 1 d . . . . .
C4 C 0.87314(18) 0.54687(13) 0.86605(11) 0.0122(3) Uani 1 1 d . . . . .
C5 C 0.79989(18) 0.50351(13) 0.94566(11) 0.0120(3) Uani 1 1 d . . . . .
C6 C 0.73961(18) 0.57931(13) 1.00196(11) 0.0125(3) Uani 1 1 d . . . . .
C7 C 0.74761(18) 0.69685(13) 0.97729(11) 0.0115(3) Uani 1 1 d . . . . .
C8 C 0.68542(19) 0.78040(13) 1.04015(11) 0.0120(3) Uani 1 1 d . . . . .
C9 C 0.23014(18) 0.79409(13) 0.53797(11) 0.0118(3) Uani 1 1 d . . . . .
C10 C 0.28137(18) 0.69690(13) 0.48329(11) 0.0115(3) Uani 1 1 d . . . . .
C11 C 0.24419(18) 0.57990(13) 0.51106(11) 0.0125(3) Uani 1 1 d . . . . .
C12 C 0.28896(19) 0.49030(13) 0.46072(11) 0.0128(3) Uani 1 1 d . . . . .
C13 C 0.37505(19) 0.51817(13) 0.38300(11) 0.0128(3) Uani 1 1 d . . . . .
C14 C 0.41168(19) 0.63499(14) 0.35536(11) 0.0130(3) Uani 1 1 d . . . . .
C15 C 0.36389(18) 0.72378(13) 0.40440(11) 0.0116(3) Uani 1 1 d . . . . .
C16 C 0.40781(18) 0.84781(13) 0.36867(11) 0.0119(3) Uani 1 1 d . . . . .
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'
Cl Cl 0.1484 0.1585 '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'
Tb Tb -0.1723 4.1537 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
K K 0.2009 0.2494 '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
O1 Tb1 O5 123.26(4) . . ?
O1 Tb1 O10 143.33(4) . . ?
O5 Tb1 O10 78.93(4) . . ?
O1 Tb1 O9 75.56(4) . . ?
O5 Tb1 O9 141.97(4) . . ?
O10 Tb1 O9 70.77(4) . . ?
O1 Tb1 O12 71.62(4) . . ?
O5 Tb1 O12 78.45(4) . . ?
O10 Tb1 O12 145.02(4) . . ?
O9 Tb1 O12 138.69(4) . . ?
O1 Tb1 O7 86.63(4) . 2_676 ?
O5 Tb1 O7 132.50(4) . 2_676 ?
O10 Tb1 O7 98.55(4) . 2_676 ?
O9 Tb1 O7 75.68(4) . 2_676 ?
O12 Tb1 O7 78.00(4) . 2_676 ?
O1 Tb1 O11 74.93(4) . . ?
O5 Tb1 O11 77.47(4) . . ?
O10 Tb1 O11 83.55(5) . . ?
O9 Tb1 O11 76.81(4) . . ?
O12 Tb1 O11 116.77(4) . . ?
O7 Tb1 O11 149.94(4) 2_676 . ?
O1 Tb1 O8 130.03(4) . 2_676 ?
O5 Tb1 O8 80.95(4) . 2_676 ?
O10 Tb1 O8 78.04(4) . 2_676 ?
O9 Tb1 O8 113.48(4) . 2_676 ?
O12 Tb1 O8 72.32(4) . 2_676 ?
O7 Tb1 O8 52.72(4) 2_676 2_676 ?
O11 Tb1 O8 153.91(4) . 2_676 ?
O1 Tb1 C16 109.94(5) . 2_676 ?
O5 Tb1 C16 107.28(4) . 2_676 ?
O10 Tb1 C16 86.49(4) . 2_676 ?
O9 Tb1 C16 93.50(4) . 2_676 ?
O12 Tb1 C16 75.26(4) . 2_676 ?
O7 Tb1 C16 26.31(4) 2_676 2_676 ?
O11 Tb1 C16 167.94(4) . 2_676 ?
O8 Tb1 C16 26.53(4) 2_676 2_676 ?
O1 Tb1 K1 55.32(3) . . ?
O5 Tb1 K1 163.58(3) . . ?
O10 Tb1 K1 111.78(3) . . ?
O9 Tb1 K1 54.25(3) . . ?
O12 Tb1 K1 86.16(3) . . ?
O7 Tb1 K1 36.32(3) 2_676 . ?
O11 Tb1 K1 115.17(3) . . ?
O8 Tb1 K1 88.99(3) 2_676 . ?
C16 Tb1 K1 62.62(3) 2_676 . ?
O14 K1 O7 76.67(4) . 2_676 ?
O14 K1 O2 117.48(5) . . ?
O7 K1 O2 101.00(4) 2_676 . ?
O14 K1 O4 69.73(4) . 2_777 ?
O7 K1 O4 142.48(4) 2_676 2_777 ?
O2 K1 O4 80.80(4) . 2_777 ?
O14 K1 O15 174.91(5) . . ?
O7 K1 O15 106.09(4) 2_676 . ?
O2 K1 O15 66.52(4) . . ?
O4 K1 O15 108.77(4) 2_777 . ?
O14 K1 Cl3 117.50(4) . 1_565 ?
O7 K1 Cl3 95.85(3) 2_676 1_565 ?
O2 K1 Cl3 124.79(3) . 1_565 ?
O4 K1 Cl3 114.03(3) 2_777 1_565 ?
O15 K1 Cl3 58.30(3) . 1_565 ?
O14 K1 Cl2 62.10(4) . 1_565 ?
O7 K1 Cl2 86.06(3) 2_676 1_565 ?
O2 K1 Cl2 172.71(3) . 1_565 ?
O4 K1 Cl2 92.50(3) 2_777 1_565 ?
O15 K1 Cl2 113.50(3) . 1_565 ?
Cl3 K1 Cl2 55.473(11) 1_565 1_565 ?
O14 K1 O9 132.69(4) . . ?
O7 K1 O9 56.05(3) 2_676 . ?
O2 K1 O9 74.21(4) . . ?
O4 K1 O9 152.47(4) 2_777 . ?
O15 K1 O9 50.38(3) . . ?
Cl3 K1 O9 72.94(2) 1_565 . ?
Cl2 K1 O9 111.71(2) 1_565 . ?
O14 K1 C1 115.34(5) . . ?
O7 K1 C1 82.45(4) 2_676 . ?
O2 K1 C1 18.71(4) . . ?
O4 K1 C1 96.97(4) 2_777 . ?
O15 K1 C1 69.51(4) . . ?
Cl3 K1 C1 125.11(3) 1_565 . ?
Cl2 K1 C1 168.50(3) 1_565 . ?
O9 K1 C1 60.89(3) . . ?
O14 K1 Tb1 101.97(4) . . ?
O7 K1 Tb1 32.14(2) 2_676 . ?
O2 K1 Tb1 71.88(3) . . ?
O4 K1 Tb1 143.62(3) 2_777 . ?
O15 K1 Tb1 82.13(3) . . ?
Cl3 K1 Tb1 101.332(12) 1_565 . ?
Cl2 K1 Tb1 115.414(12) 1_565 . ?
O9 K1 Tb1 34.447(19) . . ?
C1 K1 Tb1 53.30(3) . . ?
C4 Cl2 K1 121.19(6) . 1_545 ?
C5 Cl3 K1 122.99(5) . 1_545 ?
C1 O1 Tb1 162.50(10) . . ?
C1 O2 K1 116.89(10) . . ?
C8 O4 K1 122.45(10) . 2_777 ?
C9 O5 Tb1 150.81(11) . . ?
C16 O7 Tb1 95.45(9) . 2_676 ?
C16 O7 K1 152.99(10) . 2_676 ?
Tb1 O7 K1 111.55(4) 2_676 2_676 ?
C16 O8 Tb1 89.06(9) . 2_676 ?
Tb1 O9 K1 91.30(4) . . ?
O2 C1 O1 125.62(15) . . ?
O2 C1 C2 118.63(14) . . ?
O1 C1 C2 115.75(14) . . ?
O2 C1 K1 44.41(8) . . ?
O1 C1 K1 81.25(9) . . ?
C2 C1 K1 162.84(10) . . ?
C7 C2 C3 119.56(14) . . ?
C7 C2 C1 120.88(13) . . ?
C3 C2 C1 119.57(14) . . ?
C4 C3 C2 120.86(14) . . ?
C4 C3 Cl1 120.12(11) . . ?
C2 C3 Cl1 119.02(12) . . ?
C5 C4 C3 119.65(13) . . ?
C5 C4 Cl2 119.91(11) . . ?
C3 C4 Cl2 120.43(12) . . ?
C4 C5 C6 119.51(14) . . ?
C4 C5 Cl3 120.39(11) . . ?
C6 C5 Cl3 120.09(12) . . ?
C7 C6 C5 120.74(14) . . ?
C7 C6 Cl4 119.64(11) . . ?
C5 C6 Cl4 119.60(12) . . ?
C2 C7 C6 119.54(13) . . ?
C2 C7 C8 119.71(13) . . ?
C6 C7 C8 120.73(14) . . ?
O4 C8 O3 126.59(14) . . ?
O4 C8 C7 116.49(13) . . ?
O3 C8 C7 116.92(13) . . ?
O6 C9 O5 126.16(14) . . ?
O6 C9 C10 117.22(13) . . ?
O5 C9 C10 116.62(13) . . ?
C15 C10 C11 119.09(13) . . ?
C15 C10 C9 120.37(13) . . ?
C11 C10 C9 120.54(14) . . ?
C10 C11 C12 120.90(14) . . ?
C10 C11 Cl5 119.51(11) . . ?
C12 C11 Cl5 119.59(12) . . ?
C13 C12 C11 119.78(14) . . ?
C13 C12 Cl6 119.77(11) . . ?
C11 C12 Cl6 120.45(12) . . ?
C14 C13 C12 119.15(13) . . ?
C14 C13 Cl7 120.40(12) . . ?
C12 C13 Cl7 120.45(12) . . ?
C13 C14 C15 120.91(14) . . ?
C13 C14 Cl8 120.21(12) . . ?
C15 C14 Cl8 118.87(12) . . ?
C10 C15 C14 120.14(14) . . ?
C10 C15 C16 122.69(13) . . ?
C14 C15 C16 117.17(14) . . ?
O7 C16 O8 122.22(14) . . ?
O7 C16 C15 118.40(13) . . ?
O8 C16 C15 119.30(13) . . ?
O7 C16 Tb1 58.24(8) . 2_676 ?
O8 C16 Tb1 64.41(8) . 2_676 ?
C15 C16 Tb1 169.76(10) . 2_676 ?
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
Tb1 O1 2.2724(11) . ?
Tb1 O5 2.2828(11) . ?
Tb1 O10 2.3755(11) . ?
Tb1 O9 2.3799(11) . ?
Tb1 O12 2.3870(11) . ?
Tb1 O7 2.4057(12) 2_676 ?
Tb1 O11 2.4134(12) . ?
Tb1 O8 2.5405(11) 2_676 ?
Tb1 C16 2.8164(15) 2_676 ?
Tb1 K1 4.2063(4) . ?
K1 O14 2.6612(15) . ?
K1 O7 2.6783(12) 2_676 ?
K1 O2 2.6845(12) . ?
K1 O4 2.7264(13) 2_777 ?
K1 O15 2.8798(13) . ?
K1 Cl3 3.3198(5) 1_565 ?
K1 Cl2 3.3782(5) 1_565 ?
K1 O9 3.4147(14) . ?
K1 C1 3.4216(16) . ?
Cl1 C3 1.7210(16) . ?
Cl2 C4 1.7226(15) . ?
Cl3 C5 1.7193(15) . ?
Cl4 C6 1.7222(16) . ?
Cl5 C11 1.7190(16) . ?
Cl6 C12 1.7142(16) . ?
Cl7 C13 1.7173(15) . ?
Cl8 C14 1.7206(16) . ?
O1 C1 1.258(2) . ?
O2 C1 1.230(2) . ?
O3 C8 1.2540(19) . ?
O4 C8 1.243(2) . ?
O5 C9 1.2546(19) . ?
O6 C9 1.241(2) . ?
O7 C16 1.2539(19) . ?
O8 C16 1.2580(19) . ?
C1 C2 1.522(2) . ?
C2 C7 1.390(2) . ?
C2 C3 1.392(2) . ?
C3 C4 1.391(2) . ?
C4 C5 1.389(2) . ?
C5 C6 1.396(2) . ?
C6 C7 1.394(2) . ?
C7 C8 1.524(2) . ?
C9 C10 1.526(2) . ?
C10 C15 1.386(2) . ?
C10 C11 1.392(2) . ?
C11 C12 1.396(2) . ?
C12 C13 1.392(2) . ?
C13 C14 1.390(2) . ?
C14 C15 1.392(2) . ?
C15 C16 1.509(2) . ?
