#------------------------------------------------------------------------------
#$Date: 2025-11-08 04:55:55 +0200 (Sat, 08 Nov 2025) $
#$Revision: 303232 $
#$URL: file:///home/coder/svn-repositories/cod/cif/7/25/12/7251244.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_7251244
loop_
_publ_author_name
'Aghion, Iulia-Andreea'
'Septelean, Raluca A.'
'Lucaci, David'
'Moraru, Ionut-Tudor'
'Soran, Albert P.'
'Ciocan, Catalin C.'
'Licarete, Emilia'
'Banciu, Manuela'
'Nemes, Gabriela'
_publ_section_title
;
 Synthesis and coordination ability of the first
 phosphavinyl(selenoxo)phosphorane: an electronic story
;
_journal_issue                   51
_journal_name_full               'RSC Advances'
_journal_page_first              43426
_journal_page_last               43435
_journal_paper_doi               10.1039/D5RA05176B
_journal_volume                  15
_journal_year                    2025
_chemical_formula_moiety         'C25 H43 Cl3 P2 Pd Se, C H2 Cl2'
_chemical_formula_sum            'C26 H45 Cl5 P2 Pd Se'
_chemical_formula_weight         782.17
_chemical_name_common            RS293
_space_group_crystal_system      orthorhombic
_space_group_IT_number           62
_space_group_name_Hall           '-P 2ac 2n'
_space_group_name_H-M_alt        'P n m a'
_atom_sites_solution_hydrogens   geom
_atom_sites_solution_primary     dual
_atom_sites_solution_secondary   difmap
_audit_update_record
;
2025-05-06 deposited with the CCDC.	2025-10-20 downloaded from the CCDC.
;
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_formula_units_Z            4
_cell_length_a                   9.6344(4)
_cell_length_b                   13.6183(7)
_cell_length_c                   25.1598(10)
_cell_measurement_reflns_used    9001
_cell_measurement_temperature    100.(2)
_cell_measurement_theta_max      28.2928
_cell_measurement_theta_min      2.2636
_cell_volume                     3301.1(3)
_computing_cell_refinement       'SAINT V8.40B (Bruker AXS LLC, 2019)'
_computing_data_collection       'Bruker APEX5 2023.9-2'
_computing_data_reduction        'SAINT V8.40B (Bruker AXS LLC, 2019)'
_computing_molecular_graphics    'shelXle (C.B. Huebschle, rev 1503)'
_computing_publication_material  'Bruker APEX5 2023.9-2'
_computing_structure_refinement  'SHELXL-2019/1 (Sheldrick, 2019)'
_computing_structure_solution    'XT, VERSION 2018/2'
_diffrn_ambient_temperature      100.(2)
_diffrn_detector_area_resol_mean 7.3910
_diffrn_measured_fraction_theta_full 1.000
_diffrn_measured_fraction_theta_max 1.000
_diffrn_measurement_device       'Bruker D8 VENTURE dual wavelength Mo/Cu'
_diffrn_measurement_device_type  'three-circle diffractometer'
_diffrn_measurement_method       'φ and ω scans'
_diffrn_radiation_monochromator  'multilayer mirror optics'
_diffrn_radiation_probe          x-ray
_diffrn_radiation_type           'Mo K\a'
_diffrn_radiation_wavelength     0.71073
_diffrn_reflns_av_R_equivalents  0.0400
_diffrn_reflns_av_unetI/netI     0.0094
_diffrn_reflns_limit_h_max       12
_diffrn_reflns_limit_h_min       -12
_diffrn_reflns_limit_k_max       17
_diffrn_reflns_limit_k_min       -17
_diffrn_reflns_limit_l_max       33
_diffrn_reflns_limit_l_min       -33
_diffrn_reflns_number            176367
_diffrn_reflns_theta_full        25.24
_diffrn_reflns_theta_max         27.88
_diffrn_reflns_theta_min         2.26
_diffrn_source                   'Incoatec Mo--I\mS 3.0 microfocus source'
_diffrn_source_current           1.4
_diffrn_source_power             0.07
_diffrn_source_voltage           50
_exptl_absorpt_coefficient_mu    2.182
_exptl_absorpt_correction_T_max  0.746
_exptl_absorpt_correction_T_min  0.686
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details
;

Krause, L., Herbst-Irmer, R., Sheldrick, G. M., Stalke, D. (2015).
"Comparison of silver and molybdenum microfocus X-ray sources for
single-crystal structure determination"
J. Appl. Cryst. 48, 3-10.
doi:10.1107/S1600576714022985
;
_exptl_crystal_colour            'clear light orange'
_exptl_crystal_density_diffrn    1.574
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       plate
_exptl_crystal_F_000             1584
_exptl_crystal_size_max          0.132
_exptl_crystal_size_mid          0.131
_exptl_crystal_size_min          0.106
_refine_diff_density_max         0.790
_refine_diff_density_min         -0.769
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.079
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     189
_refine_ls_number_reflns         4100
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      1.079
_refine_ls_R_factor_all          0.0249
_refine_ls_R_factor_gt           0.0231
_refine_ls_shift/su_max          0.001
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'w=1/[σ²(Fo²)+(0.0190P)²+4.9267P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0544
_refine_ls_wR_factor_ref         0.0557
_reflns_Friedel_coverage         0.000
_reflns_number_gt                3903
_reflns_number_total             4100
_reflns_threshold_expression     'I > 2σ(I)'
_cod_data_source_file            d5ra05176b2.cif
_cod_data_source_block           0440alb
_cod_depositor_comments
;
The following automatic conversions were performed:

data item '_exptl_absorpt_correction_type' value 'Multi-Scan' was
changed to 'multi-scan' in accordance with the
/home/data/users/saulius/crontab/automatic-downloads/rss-feeds/RSC/lib/dictionaries/cif_core.dic
dictionary named 'cif_core.dic' version 2.4.2 last updated on
2011-04-26.

Automatic conversion script
Id: cif_fix_values 8170 2020-07-09 18:12:32Z antanas 
;
_cod_database_code               7251244
loop_
_space_group_symop_operation_xyz
'x, y, z'
'-x+1/2, -y, z+1/2'
'-x, y+1/2, -z'
'x+1/2, -y+1/2, -z+1/2'
'-x, -y, -z'
'x-1/2, y, -z-1/2'
'x, -y-1/2, z'
'-x-1/2, 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_adp
_atom_site_refinement_flags_occupancy
_atom_site_refinement_flags_posn
_atom_site_occupancy
_atom_site_disorder_assembly
_atom_site_disorder_group
Pd Pd1 0.55171(2) 0.250000 0.48526(2) 0.01385(5) Uani d T P S 1 . .
Se Se1 0.39698(3) 0.250000 0.41062(2) 0.02385(7) Uani d T P S 1 . .
Cl Cl1 0.06220(7) 0.250000 0.55307(3) 0.02823(15) Uani d T P S 1 . .
Cl Cl2 0.72737(6) 0.250000 0.42097(2) 0.02060(12) Uani d T P S 1 . .
Cl Cl3 0.70958(7) 0.250000 0.55419(3) 0.03148(16) Uani d T P S 1 . .
Cl Cl4 0.66553(9) 0.64318(7) 0.75231(3) 0.0611(2) Uani d . . . 1 . .
P P1 0.19161(7) 0.250000 0.44660(3) 0.02572(16) Uani d T P S 1 . .
P P2 0.37664(6) 0.250000 0.54159(2) 0.01544(12) Uani d T P S 1 . .
C C1 0.2152(3) 0.250000 0.51742(10) 0.0209(5) Uani d T P S 1 . .
C C2 0.0927(2) 0.1396(2) 0.42899(9) 0.0391(6) Uani d . . . 1 . .
H H2 -0.005124 0.148758 0.441347 0.047000 Uiso calc U . R 1 . .
C C3 0.0905(4) 0.1243(3) 0.36857(10) 0.0822(14) Uani d . . . 1 . .
H H3A 0.042616 0.062645 0.360294 0.123000 Uiso calc U . R 1 . .
H H3B 0.185972 0.121252 0.355191 0.123000 Uiso calc U . R 1 . .
H H3C 0.041655 0.179064 0.351641 0.123000 Uiso calc U . R 1 . .
C C4 0.1516(3) 0.0504(2) 0.45655(11) 0.0482(7) Uani d . . . 1 . .
H H4A 0.098035 -0.007834 0.446414 0.072000 Uiso calc U . R 1 . .
H H4B 0.146368 0.059531 0.495136 0.072000 Uiso calc U . R 1 . .
H H4C 0.248741 0.041575 0.445997 0.072000 Uiso calc U . R 1 . .
C C5 0.3759(2) 0.250000 0.61381(9) 0.0157(5) Uani d T P S 1 . .
C C6 0.37187(18) 0.34087(14) 0.64177(7) 0.0191(3) Uani d . . . 1 . .
C C7 0.3560(2) 0.33650(14) 0.69692(7) 0.0226(4) Uani d . . . 1 . .
H H7 0.350563 0.396591 0.715988 0.027000 Uiso calc U . R 1 . .
C C8 0.3478(3) 0.250000 0.72531(10) 0.0197(5) Uani d T P S 1 A .
C C9 0.3742(2) 0.44580(14) 0.61829(7) 0.0248(4) Uani d . . . 1 . .
C C10 0.4521(3) 0.51688(16) 0.65544(9) 0.0367(5) Uani d . . . 1 . .
H H10A 0.454726 0.582367 0.639323 0.055000 Uiso calc U . R 1 . .
H H10B 0.547100 0.493207 0.660901 0.055000 Uiso calc U . R 1 . .
H H10C 0.404045 0.520274 0.689718 0.055000 Uiso calc U . R 1 . .
C C11 0.2233(2) 0.48024(17) 0.61356(9) 0.0357(5) Uani d . . . 1 . .
H H11A 0.221072 0.547085 0.599157 0.054000 Uiso calc U . R 1 . .
H H11B 0.179703 0.479595 0.648759 0.054000 Uiso calc U . R 1 . .
H H11C 0.172477 0.436067 0.589742 0.054000 Uiso calc U . R 1 . .
C C12 0.4471(2) 0.45613(15) 0.56443(8) 0.0309(5) Uani d . . . 1 . .
H H12A 0.459492 0.525888 0.556117 0.046000 Uiso calc U . R 1 . .
H H12B 0.390523 0.425141 0.536762 0.046000 Uiso calc U . R 1 . .
H H12C 0.538046 0.423965 0.565988 0.046000 Uiso calc U . R 1 . .
C C13 0.3341(3) 0.250000 0.78610(11) 0.0357(6) Uani d T P S 1 . .
C C14 0.3162(7) 0.3396(4) 0.81059(18) 0.0477(10) Uani d . P . 0.5 A -1
H H14A 0.315426 0.330581 0.849235 0.072000 Uiso calc U P R 0.5 A -1
H H14B 0.227829 0.368456 0.799231 0.072000 Uiso calc U P R 0.5 A -1
H H14C 0.392514 0.383542 0.800730 0.072000 Uiso calc U P R 0.5 A -1
C C15 0.4661(4) 0.1939(4) 0.80929(15) 0.0357(6) Uani d . P . 0.5 A -1
H H15A 0.456392 0.186812 0.847875 0.054000 Uiso calc U P R 0.5 A -1
H H15B 0.550204 0.231678 0.801339 0.054000 Uiso calc U P R 0.5 A -1
H H15C 0.472986 0.128802 0.792925 0.054000 Uiso calc U P R 0.5 A -1
C C16 0.2157(7) 0.1719(4) 0.80105(18) 0.0477(10) Uani d . P . 0.5 A -1
H H16A 0.208931 0.166139 0.839785 0.072000 Uiso calc U P R 0.5 A -1
H H16B 0.239253 0.107847 0.785790 0.072000 Uiso calc U P R 0.5 A -1
H H16C 0.126438 0.194083 0.786689 0.072000 Uiso calc U P R 0.5 A -1
C C17 0.7527(4) 0.750000 0.77440(14) 0.0508(10) Uani d T P S 1 . .
H H17A 0.848938 0.750000 0.760579 0.061000 Uiso calc U P R 1 . .
H H17B 0.757160 0.749998 0.813709 0.061000 Uiso calc U P R 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'
Cl Cl 0.1484 0.1585 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
P P 0.1023 0.0942 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Pd Pd -0.9988 1.0072 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Se Se -0.0929 2.2259 '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
P2 Pd1 Cl3 . . 91.21(2) ?
P2 Pd1 Cl2 . . 176.33(2) ?
Cl3 Pd1 Cl2 . . 92.45(2) ?
P2 Pd1 Se1 . . 91.596(18) ?
Cl3 Pd1 Se1 . . 177.190(19) ?
Cl2 Pd1 Se1 . . 84.738(18) ?
P1 Se1 Pd1 . . 103.86(2) ?
C1 P1 C2 . . 107.78(9) ?
C1 P1 C2 . 7_565 107.78(9) ?
C2 P1 C2 . 7_565 110.09(17) ?
C1 P1 Se1 . . 107.30(9) ?
C2 P1 Se1 . . 111.84(8) ?
C2 P1 Se1 7_565 . 111.84(8) ?
C1 P2 C5 . . 111.15(12) ?
C1 P2 Pd1 . . 118.60(9) ?
C5 P2 Pd1 . . 130.25(8) ?
P2 C1 Cl1 . . 127.33(15) ?
P2 C1 P1 . . 118.64(14) ?
Cl1 C1 P1 . . 114.03(14) ?
C4 C2 C3 . . 110.5(3) ?
C4 C2 P1 . . 110.68(15) ?
C3 C2 P1 . . 111.0(2) ?
C4 C2 H2 . . 108.200000 ?
C3 C2 H2 . . 108.200000 ?
P1 C2 H2 . . 108.200000 ?
C2 C3 H3A . . 109.500000 ?
C2 C3 H3B . . 109.500000 ?
H3A C3 H3B . . 109.500000 ?
C2 C3 H3C . . 109.500000 ?
H3A C3 H3C . . 109.500000 ?
H3B C3 H3C . . 109.500000 ?
C2 C4 H4A . . 109.500000 ?
C2 C4 H4B . . 109.500000 ?
H4A C4 H4B . . 109.500000 ?
C2 C4 H4C . . 109.500000 ?
H4A C4 H4C . . 109.500000 ?
H4B C4 H4C . . 109.500000 ?
C6 C5 C6 . 7_565 120.7(2) ?
C6 C5 P2 . . 119.61(11) ?
C6 C5 P2 7_565 . 119.61(11) ?
C7 C6 C5 . . 117.17(17) ?
C7 C6 C9 . . 114.85(16) ?
C5 C6 C9 . . 127.88(16) ?
C8 C7 C6 . . 123.83(18) ?
C8 C7 H7 . . 118.100000 ?
C6 C7 H7 . . 118.100000 ?
C7 C8 C7 7_565 . 117.2(2) ?
C7 C8 C13 7_565 . 121.37(11) ?
C7 C8 C13 . . 121.37(11) ?
C11 C9 C12 . . 109.77(17) ?
C11 C9 C10 . . 108.49(18) ?
C12 C9 C10 . . 104.79(17) ?
C11 C9 C6 . . 107.37(17) ?
C12 C9 C6 . . 115.41(16) ?
C10 C9 C6 . . 110.86(16) ?
C9 C10 H10A . . 109.500000 ?
C9 C10 H10B . . 109.500000 ?
H10A C10 H10B . . 109.500000 ?
C9 C10 H10C . . 109.500000 ?
H10A C10 H10C . . 109.500000 ?
H10B C10 H10C . . 109.500000 ?
C9 C11 H11A . . 109.500000 ?
C9 C11 H11B . . 109.500000 ?
H11A C11 H11B . . 109.500000 ?
C9 C11 H11C . . 109.500000 ?
H11A C11 H11C . . 109.500000 ?
H11B C11 H11C . . 109.500000 ?
C9 C12 H12A . . 109.500000 ?
C9 C12 H12B . . 109.500000 ?
H12A C12 H12B . . 109.500000 ?
C9 C12 H12C . . 109.500000 ?
H12A C12 H12C . . 109.500000 ?
H12B C12 H12C . . 109.500000 ?
C14 C13 C8 . . 117.1(2) ?
C14 C13 C15 . . 111.1(4) ?
C8 C13 C15 . . 107.2(2) ?
C14 C13 C16 . . 113.1(4) ?
C8 C13 C16 . . 107.1(2) ?
C15 C13 C16 . . 99.5(3) ?
C13 C14 H14A . . 109.500000 ?
C13 C14 H14B . . 109.500000 ?
H14A C14 H14B . . 109.500000 ?
C13 C14 H14C . . 109.500000 ?
H14A C14 H14C . . 109.500000 ?
H14B C14 H14C . . 109.500000 ?
C13 C15 H15A . . 109.500000 ?
C13 C15 H15B . . 109.500000 ?
H15A C15 H15B . . 109.500000 ?
C13 C15 H15C . . 109.500000 ?
H15A C15 H15C . . 109.500000 ?
H15B C15 H15C . . 109.500000 ?
C13 C16 H16A . . 109.500000 ?
C13 C16 H16B . . 109.500000 ?
H16A C16 H16B . . 109.500000 ?
C13 C16 H16C . . 109.500000 ?
H16A C16 H16C . . 109.500000 ?
H16B C16 H16C . . 109.500000 ?
Cl4 C17 Cl4 . 7_575 110.6(2) ?
Cl4 C17 H17A . . 109.500000 ?
Cl4 C17 H17A 7_575 . 109.500000 ?
Cl4 C17 H17B . . 109.500000 ?
Cl4 C17 H17B 7_575 . 109.500000 ?
H17A C17 H17B . . 108.100000 ?
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
Pd1 P2 . 2.2030(6) ?
Pd1 Cl3 . 2.3067(7) ?
Pd1 Cl2 . 2.3412(6) ?
Pd1 Se1 . 2.3977(3) ?
Se1 P1 . 2.1758(7) ?
Cl1 C1 . 1.726(3) ?
Cl4 C17 . 1.769(2) ?
P1 C1 . 1.796(3) ?
P1 C2 . 1.834(3) ?
P1 C2 7_565 1.835(3) ?
P2 C1 . 1.670(3) ?
P2 C5 . 1.817(2) ?
C2 C4 . 1.510(4) ?
C2 C3 . 1.535(3) ?
C2 H2 . 1.000000 ?
C3 H3A . 0.980000 ?
C3 H3B . 0.980000 ?
C3 H3C . 0.980000 ?
C4 H4A . 0.980000 ?
C4 H4B . 0.980000 ?
C4 H4C . 0.980000 ?
C5 C6 . 1.424(2) ?
C5 C6 7_565 1.424(2) ?
C6 C7 . 1.397(2) ?
C6 C9 . 1.546(3) ?
C7 C8 . 1.380(2) ?
C7 H7 . 0.950000 ?
C8 C13 . 1.535(4) ?
C9 C11 . 1.533(3) ?
C9 C12 . 1.533(3) ?
C9 C10 . 1.541(3) ?
C10 H10A . 0.980000 ?
C10 H10B . 0.980000 ?
C10 H10C . 0.980000 ?
C11 H11A . 0.980000 ?
C11 H11B . 0.980000 ?
C11 H11C . 0.980000 ?
C12 H12A . 0.980000 ?
C12 H12B . 0.980000 ?
C12 H12C . 0.980000 ?
C13 C14 . 1.378(6) ?
C13 C15 . 1.594(5) ?
C13 C16 . 1.604(6) ?
C14 H14A . 0.980000 ?
C14 H14B . 0.980000 ?
C14 H14C . 0.980000 ?
C15 H15A . 0.980000 ?
C15 H15B . 0.980000 ?
C15 H15C . 0.980000 ?
C16 H16A . 0.980000 ?
C16 H16B . 0.980000 ?
C16 H16C . 0.980000 ?
C17 H17A . 0.990000 ?
C17 H17B . 0.990000 ?
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_site_symmetry_2
_geom_torsion_site_symmetry_3
_geom_torsion_site_symmetry_4
_geom_torsion
_geom_torsion_publ_flag
C5 P2 C1 Cl1 . . . . 0.0000(10) ?
Pd1 P2 C1 Cl1 . . . . 180.000000 ?
C5 P2 C1 P1 . . . . 180.000000 ?
Pd1 P2 C1 P1 . . . . 0.0000(10) ?
C2 P1 C1 P2 . . . . 120.60(9) ?
C2 P1 C1 P2 7_565 . . . -120.60(9) ?
Se1 P1 C1 P2 . . . . 0.000000 ?
C2 P1 C1 Cl1 . . . . -59.40(9) ?
C2 P1 C1 Cl1 7_565 . . . 59.40(9) ?
Se1 P1 C1 Cl1 . . . . 180.000000 ?
C1 P1 C2 C4 . . . . -46.69(19) ?
C2 P1 C2 C4 7_565 . . . -163.99(12) ?
Se1 P1 C2 C4 . . . . 71.02(17) ?
C1 P1 C2 C3 . . . . -169.8(2) ?
C2 P1 C2 C3 7_565 . . . 72.9(3) ?
Se1 P1 C2 C3 . . . . -52.1(2) ?
C1 P2 C5 C6 . . . . -88.30(18) ?
Pd1 P2 C5 C6 . . . . 91.70(18) ?
C1 P2 C5 C6 . . . 7_565 88.30(18) ?
Pd1 P2 C5 C6 . . . 7_565 -91.70(18) ?
C6 C5 C6 C7 7_565 . . . -3.5(3) ?
P2 C5 C6 C7 . . . . 173.10(15) ?
C6 C5 C6 C9 7_565 . . . -179.51(14) ?
P2 C5 C6 C9 . . . . -2.9(3) ?
C5 C6 C7 C8 . . . . 1.7(3) ?
C9 C6 C7 C8 . . . . 178.3(2) ?
C6 C7 C8 C7 . . . 7_565 0.0(4) ?
C6 C7 C8 C13 . . . . 178.4(2) ?
C7 C6 C9 C11 . . . . -80.8(2) ?
C5 C6 C9 C11 . . . . 95.4(2) ?
C7 C6 C9 C12 . . . . 156.49(18) ?
C5 C6 C9 C12 . . . . -27.4(3) ?
C7 C6 C9 C10 . . . . 37.6(2) ?
C5 C6 C9 C10 . . . . -146.3(2) ?
C7 C8 C13 C14 7_565 . . . -175.3(4) ?
C7 C8 C13 C14 . . . . 6.4(5) ?
C7 C8 C13 C15 7_565 . . . 59.1(3) ?
C7 C8 C13 C15 . . . . -119.3(3) ?
C7 C8 C13 C16 7_565 . . . -46.9(4) ?
C7 C8 C13 C16 . . . . 134.8(3) ?
