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#$Date: 2024-08-05 21:11:51 +0300 (Mon, 05 Aug 2024) $
#$Revision: 293775 $
#$URL: file:///home/coder/svn-repositories/cod/cif/1/57/21/1572109.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_1572109
loop_
_publ_author_name
'Minko, Yury'
'Fetrow, Taylor V.'
'Sharma, Shikha'
'Cashman, Brenna K.'
'Tondreau, Aaron M.'
_publ_section_title
;
 Flexible interactions of the rare-earth elements Y, La, and Lu with
 phosphorus in metallacyclohexane rings.
;
_journal_issue                   30
_journal_name_full               'Chemical science'
_journal_page_first              12138
_journal_page_last               12147
_journal_paper_doi               10.1039/d4sc02077d
_journal_volume                  15
_journal_year                    2024
_chemical_formula_moiety         'C22 H33 N2 P'
_chemical_formula_sum            'C22 H33 N2 P'
_chemical_formula_weight         356.47
_chemical_properties_physical    Air-sensitive
_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   mixed
_audit_creation_date             2021-04-30
_audit_creation_method
;
Olex2 1.2
(compiled Apr  3 2018 11:26:26 for OlexSys, GUI svn.r5486)
;
_audit_update_record
;
2024-01-24 deposited with the CCDC.	2024-06-20 downloaded from the CCDC.
;
_cell_angle_alpha                97.9300(10)
_cell_angle_beta                 103.0220(10)
_cell_angle_gamma                108.0500(10)
_cell_formula_units_Z            2
_cell_length_a                   8.9968(3)
_cell_length_b                   11.2118(4)
_cell_length_c                   11.8000(5)
_cell_measurement_reflns_used    9833
_cell_measurement_temperature    109.0
_cell_measurement_theta_max      31.37
_cell_measurement_theta_min      2.56
_cell_volume                     1074.49(7)
_computing_cell_refinement       'SAINT V8.38A (?, 2016)'
_computing_data_reduction        'SAINT V8.38A (?, 2016)'
_computing_molecular_graphics    'Olex2 (Dolomanov et al., 2009)'
_computing_publication_material  'Olex2 (Dolomanov et al., 2009)'
_computing_structure_refinement  'ShelXL (Sheldrick, 2015)'
_computing_structure_solution    'SHELXT 2014/5 (Sheldrick, 2014)'
_diffrn_ambient_temperature      109.0
_diffrn_measured_fraction_theta_full 0.991
_diffrn_measured_fraction_theta_max 0.989
_diffrn_measurement_device_type  'Bruker APEX-II CCD'
_diffrn_measurement_method       'φ and ω scans'
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_reflns_av_R_equivalents  0.0183
_diffrn_reflns_av_unetI/netI     0.0175
_diffrn_reflns_Laue_measured_fraction_full 0.991
_diffrn_reflns_Laue_measured_fraction_max 0.989
_diffrn_reflns_limit_h_max       13
_diffrn_reflns_limit_h_min       -13
_diffrn_reflns_limit_k_max       16
_diffrn_reflns_limit_k_min       -16
_diffrn_reflns_limit_l_max       17
_diffrn_reflns_limit_l_min       -17
_diffrn_reflns_number            23544
_diffrn_reflns_point_group_measured_fraction_full 0.991
_diffrn_reflns_point_group_measured_fraction_max 0.989
_diffrn_reflns_theta_full        25.242
_diffrn_reflns_theta_max         31.370
_diffrn_reflns_theta_min         2.564
_diffrn_standards_number         0
_exptl_absorpt_coefficient_mu    0.135
_exptl_absorpt_correction_T_max  0.7462
_exptl_absorpt_correction_T_min  0.7216
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details
;
SADABS-2016/2 (Bruker,2016) was used for absorption correction.
wR2(int) was 0.0560 before and 0.0335 after correction.
The Ratio of minimum to maximum transmission is 0.9670.
The λ/2 correction factor is Not present.
;
_exptl_crystal_colour            colourless
_exptl_crystal_colour_primary    colourless
_exptl_crystal_density_diffrn    1.102
_exptl_crystal_description       block
_exptl_crystal_F_000             388
_exptl_crystal_size_max          0.35
_exptl_crystal_size_mid          0.35
_exptl_crystal_size_min          0.3
_refine_diff_density_max         0.486
_refine_diff_density_min         -0.324
_refine_diff_density_rms         0.047
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.061
_refine_ls_hydrogen_treatment    mixed
_refine_ls_matrix_type           full
_refine_ls_number_parameters     241
_refine_ls_number_reflns         6992
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      1.061
_refine_ls_R_factor_all          0.0402
_refine_ls_R_factor_gt           0.0374
_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)+(0.0519P)²+0.3658P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1031
_refine_ls_wR_factor_ref         0.1052
_reflns_Friedel_coverage         0.000
_reflns_number_gt                6514
_reflns_number_total             6992
_reflns_threshold_expression     'I > 2σ(I)'
_cod_data_source_file            d4sc02077d2.cif
_cod_data_source_block           BiAMP
_cod_depositor_comments
'Adding full bibliography for 1572109--1572117.cif.'
_cod_database_code               1572109
_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.
;
_shelx_estimated_absorpt_t_max   0.961
_shelx_estimated_absorpt_t_min   0.954
_olex2_refinement_description
;
1. Fixed Uiso
 At 1.2 times of:
  All C(H) groups, All C(H,H) groups
 At 1.5 times of:
  All C(H,H,H) groups
2.a Secondary CH2 refined with riding coordinates:
 C5(H5A,H5B), C6(H6A,H6B)
2.b Aromatic/amide H refined with riding coordinates:
 C3(H3), C8(H8), C13(H13), C14(H14), C17(H17), C22(H22)
2.c Idealised Me refined as rotating group:
 C1(H1A,H1B,H1C), C10(H10A,H10B,H10C), C11(H11A,H11B,H11C), C16(H16A,H16B,
 H16C), C19(H19A,H19B,H19C), C20(H20A,H20B,H20C), C21(H21A,H21B,H21C)
;
_olex2_submission_special_instructions 'No special instructions were received'
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
P1 P 0.72466(3) 0.40220(2) 0.35030(2) 0.01470(6) Uani 1 1 d . . . . .
N1 N 0.88096(9) 0.63526(7) 0.50394(7) 0.01703(14) Uani 1 1 d . . . . .
N2 N 0.80942(9) 0.37699(7) 0.57830(7) 0.01628(14) Uani 1 1 d . . . . .
C1 C 1.11161(14) 0.96658(11) 0.87942(9) 0.0293(2) Uani 1 1 d . . . . .
H1A H 1.046718 0.923898 0.928470 0.044 Uiso 1 1 calc GR . . . .
H1B H 1.141833 1.060014 0.904445 0.044 Uiso 1 1 calc GR . . . .
H1C H 1.210546 0.944868 0.889431 0.044 Uiso 1 1 calc GR . . . .
C2 C 1.01265(12) 0.92189(9) 0.74996(9) 0.02170(18) Uani 1 1 d . . . . .
C3 C 0.99447(11) 0.80231(9) 0.68524(8) 0.01855(16) Uani 1 1 d . . . . .
H3 H 1.047837 0.750619 0.721985 0.022 Uiso 1 1 calc R . . . .
C4 C 0.89808(10) 0.75746(8) 0.56628(8) 0.01655(15) Uani 1 1 d . . . . .
C5 C 0.73706(11) 0.56977(9) 0.40132(8) 0.01850(16) Uani 1 1 d . . . . .
H5A H 0.744715 0.615824 0.335854 0.022 Uiso 1 1 calc R . . . .
H5B H 0.637590 0.569483 0.424108 0.022 Uiso 1 1 calc R . . . .
C6 C 0.66511(10) 0.33722(9) 0.47627(8) 0.01758(16) Uani 1 1 d . . . . .
H6A H 0.582595 0.370199 0.497633 0.021 Uiso 1 1 calc R . . . .
H6B H 0.616843 0.242094 0.452778 0.021 Uiso 1 1 calc R . . . .
C7 C 0.79342(11) 0.34111(8) 0.68520(7) 0.01595(15) Uani 1 1 d . . . . .
C8 C 0.64203(11) 0.28389(9) 0.70385(8) 0.01919(16) Uani 1 1 d . . . . .
H8 H 0.545012 0.269106 0.642788 0.023 Uiso 1 1 calc R . . . .
C9 C 0.63178(12) 0.24813(10) 0.81147(8) 0.02281(18) Uani 1 1 d . . . . .
C10 C 0.46725(14) 0.18278(14) 0.82819(10) 0.0351(3) Uani 1 1 d . . . . .
H10A H 0.481531 0.159076 0.905763 0.053 Uiso 1 1 calc GR . . . .
H10B H 0.406925 0.105113 0.764498 0.053 Uiso 1 1 calc GR . . . .
H10C H 0.406191 0.241616 0.825181 0.053 Uiso 1 1 calc GR . . . .
C11 C 0.75534(15) 1.03617(11) 0.51626(12) 0.0320(2) Uani 1 1 d . . . . .
H11A H 0.757085 1.106472 0.576563 0.048 Uiso 1 1 calc GR . . . .
H11B H 0.642093 0.982722 0.473031 0.048 Uiso 1 1 calc GR . . . .
H11C H 0.811939 1.072031 0.460026 0.048 Uiso 1 1 calc GR . . . .
C12 C 0.83977(12) 0.95506(9) 0.57651(10) 0.02320(18) Uani 1 1 d . . . . .
C13 C 0.82262(11) 0.83506(9) 0.51232(9) 0.01933(16) Uani 1 1 d . . . . .
H13 H 0.759000 0.805896 0.431150 0.023 Uiso 1 1 calc R . . . .
C14 C 0.93537(11) 0.36423(9) 0.77708(8) 0.01901(16) Uani 1 1 d . . . . .
H14 H 1.038944 0.404453 0.765689 0.023 Uiso 1 1 calc R . . . .
C15 C 0.92679(12) 0.32925(9) 0.88429(8) 0.02185(18) Uani 1 1 d . . . . .
C16 C 1.08043(14) 0.35314(12) 0.98178(10) 0.0313(2) Uani 1 1 d . . . . .
H16A H 1.124123 0.284856 0.964822 0.047 Uiso 1 1 calc GR . . . .
H16B H 1.055616 0.353512 1.058519 0.047 Uiso 1 1 calc GR . . . .
H16C H 1.161381 0.436579 0.985355 0.047 Uiso 1 1 calc GR . . . .
C17 C 0.77416(13) 0.27082(10) 0.90071(8) 0.02450(19) Uani 1 1 d . . . . .
H17 H 0.767581 0.246270 0.973844 0.029 Uiso 1 1 calc R . . . .
C18 C 0.52669(11) 0.33366(10) 0.22952(8) 0.02082(17) Uani 1 1 d . . . . .
C19 C 0.37843(12) 0.34107(14) 0.26808(10) 0.0343(3) Uani 1 1 d . . . . .
H19A H 0.280570 0.302095 0.199769 0.051 Uiso 1 1 calc GR . . . .
H19B H 0.393556 0.431379 0.297463 0.051 Uiso 1 1 calc GR . . . .
H19C H 0.365879 0.294506 0.331779 0.051 Uiso 1 1 calc GR . . . .
C20 C 0.54653(14) 0.40518(12) 0.12888(9) 0.0291(2) Uani 1 1 d . . . . .
H20A H 0.452152 0.361969 0.058590 0.044 Uiso 1 1 calc GR . . . .
H20B H 0.646131 0.405100 0.108304 0.044 Uiso 1 1 calc GR . . . .
H20C H 0.553973 0.494131 0.155463 0.044 Uiso 1 1 calc GR . . . .
C21 C 0.50197(16) 0.19160(11) 0.18312(10) 0.0356(3) Uani 1 1 d . . . . .
H21A H 0.486418 0.144510 0.246120 0.053 Uiso 1 1 calc GR . . . .
H21B H 0.598196 0.186301 0.160079 0.053 Uiso 1 1 calc GR . . . .
H21C H 0.405560 0.153571 0.113622 0.053 Uiso 1 1 calc GR . . . .
C22 C 0.93401(13) 0.99738(9) 0.69505(10) 0.02531(19) Uani 1 1 d . . . . .
H22 H 0.945084 1.078691 0.739287 0.030 Uiso 1 1 calc R . . . .
H1 H 0.8914(17) 0.5861(14) 0.5510(13) 0.025(3) Uiso 1 1 d . . . . .
H2 H 0.8922(18) 0.3681(14) 0.5616(13) 0.026(3) Uiso 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'
N N 0.0061 0.0033 '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'
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
C5 P1 C6 98.13(4) . . ?
C5 P1 C18 102.10(4) . . ?
C6 P1 C18 101.56(4) . . ?
C4 N1 C5 117.51(7) . . ?
C4 N1 H1 111.2(10) . . ?
C5 N1 H1 110.7(10) . . ?
C6 N2 H2 114.4(10) . . ?
C7 N2 C6 119.15(7) . . ?
C7 N2 H2 111.8(10) . . ?
H1A C1 H1B 109.5 . . ?
H1A C1 H1C 109.5 . . ?
H1B C1 H1C 109.5 . . ?
C2 C1 H1A 109.5 . . ?
C2 C1 H1B 109.5 . . ?
C2 C1 H1C 109.5 . . ?
C3 C2 C1 119.85(9) . . ?
C3 C2 C22 119.33(9) . . ?
C22 C2 C1 120.79(9) . . ?
C2 C3 H3 119.7 . . ?
C2 C3 C4 120.52(9) . . ?
C4 C3 H3 119.7 . . ?
C3 C4 N1 118.94(8) . . ?
C13 C4 N1 121.71(8) . . ?
C13 C4 C3 119.35(8) . . ?
P1 C5 H5A 109.8 . . ?
P1 C5 H5B 109.8 . . ?
N1 C5 P1 109.23(6) . . ?
N1 C5 H5A 109.8 . . ?
N1 C5 H5B 109.8 . . ?
H5A C5 H5B 108.3 . . ?
P1 C6 H6A 109.9 . . ?
P1 C6 H6B 109.9 . . ?
N2 C6 P1 108.91(6) . . ?
N2 C6 H6A 109.9 . . ?
N2 C6 H6B 109.9 . . ?
H6A C6 H6B 108.3 . . ?
N2 C7 C14 118.52(8) . . ?
C8 C7 N2 122.56(8) . . ?
C8 C7 C14 118.91(8) . . ?
C7 C8 H8 119.7 . . ?
C7 C8 C9 120.64(8) . . ?
C9 C8 H8 119.7 . . ?
C8 C9 C10 119.72(9) . . ?
C17 C9 C8 119.38(9) . . ?
C17 C9 C10 120.88(9) . . ?
C9 C10 H10A 109.5 . . ?
C9 C10 H10B 109.5 . . ?
C9 C10 H10C 109.5 . . ?
H10A C10 H10B 109.5 . . ?
H10A C10 H10C 109.5 . . ?
H10B C10 H10C 109.5 . . ?
H11A C11 H11B 109.5 . . ?
H11A C11 H11C 109.5 . . ?
H11B C11 H11C 109.5 . . ?
C12 C11 H11A 109.5 . . ?
C12 C11 H11B 109.5 . . ?
C12 C11 H11C 109.5 . . ?
C13 C12 C11 119.40(10) . . ?
C22 C12 C11 121.27(9) . . ?
C22 C12 C13 119.33(9) . . ?
C4 C13 H13 119.7 . . ?
C12 C13 C4 120.58(9) . . ?
C12 C13 H13 119.7 . . ?
C7 C14 H14 119.5 . . ?
C15 C14 C7 120.98(9) . . ?
C15 C14 H14 119.5 . . ?
C14 C15 C16 120.44(9) . . ?
C14 C15 C17 119.23(9) . . ?
C17 C15 C16 120.33(9) . . ?
C15 C16 H16A 109.5 . . ?
C15 C16 H16B 109.5 . . ?
C15 C16 H16C 109.5 . . ?
H16A C16 H16B 109.5 . . ?
H16A C16 H16C 109.5 . . ?
H16B C16 H16C 109.5 . . ?
C9 C17 C15 120.85(9) . . ?
C9 C17 H17 119.6 . . ?
C15 C17 H17 119.6 . . ?
C19 C18 P1 115.11(7) . . ?
C19 C18 C20 109.92(9) . . ?
C19 C18 C21 109.22(10) . . ?
C20 C18 P1 107.35(7) . . ?
C20 C18 C21 108.79(9) . . ?
C21 C18 P1 106.25(7) . . ?
C18 C19 H19A 109.5 . . ?
C18 C19 H19B 109.5 . . ?
C18 C19 H19C 109.5 . . ?
H19A C19 H19B 109.5 . . ?
H19A C19 H19C 109.5 . . ?
H19B C19 H19C 109.5 . . ?
C18 C20 H20A 109.5 . . ?
C18 C20 H20B 109.5 . . ?
C18 C20 H20C 109.5 . . ?
H20A C20 H20B 109.5 . . ?
H20A C20 H20C 109.5 . . ?
H20B C20 H20C 109.5 . . ?
C18 C21 H21A 109.5 . . ?
C18 C21 H21B 109.5 . . ?
C18 C21 H21C 109.5 . . ?
H21A C21 H21B 109.5 . . ?
H21A C21 H21C 109.5 . . ?
H21B C21 H21C 109.5 . . ?
C2 C22 H22 119.6 . . ?
C12 C22 C2 120.87(9) . . ?
C12 C22 H22 119.6 . . ?
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
P1 C5 1.8526(9) . ?
P1 C6 1.8556(9) . ?
P1 C18 1.8708(9) . ?
N1 C4 1.4079(11) . ?
N1 C5 1.4631(11) . ?
N1 H1 0.845(15) . ?
N2 C6 1.4569(11) . ?
N2 C7 1.3999(11) . ?
N2 H2 0.843(15) . ?
C1 H1A 0.9800 . ?
C1 H1B 0.9800 . ?
C1 H1C 0.9800 . ?
C1 C2 1.5089(15) . ?
C2 C3 1.3902(13) . ?
C2 C22 1.3974(15) . ?
C3 H3 0.9500 . ?
C3 C4 1.4006(12) . ?
C4 C13 1.3956(12) . ?
C5 H5A 0.9900 . ?
C5 H5B 0.9900 . ?
C6 H6A 0.9900 . ?
C6 H6B 0.9900 . ?
C7 C8 1.3956(12) . ?
C7 C14 1.4025(12) . ?
C8 H8 0.9500 . ?
C8 C9 1.3972(13) . ?
C9 C10 1.5054(15) . ?
C9 C17 1.3895(14) . ?
C10 H10A 0.9800 . ?
C10 H10B 0.9800 . ?
C10 H10C 0.9800 . ?
C11 H11A 0.9800 . ?
C11 H11B 0.9800 . ?
C11 H11C 0.9800 . ?
C11 C12 1.5074(14) . ?
C12 C13 1.3947(13) . ?
C12 C22 1.3906(15) . ?
C13 H13 0.9500 . ?
C14 H14 0.9500 . ?
C14 C15 1.3864(13) . ?
C15 C16 1.5083(14) . ?
C15 C17 1.3963(14) . ?
C16 H16A 0.9800 . ?
C16 H16B 0.9800 . ?
C16 H16C 0.9800 . ?
C17 H17 0.9500 . ?
C18 C19 1.5247(14) . ?
C18 C20 1.5345(14) . ?
C18 C21 1.5399(16) . ?
C19 H19A 0.9800 . ?
C19 H19B 0.9800 . ?
C19 H19C 0.9800 . ?
C20 H20A 0.9800 . ?
C20 H20B 0.9800 . ?
C20 H20C 0.9800 . ?
C21 H21A 0.9800 . ?
C21 H21B 0.9800 . ?
C21 H21C 0.9800 . ?
C22 H22 0.9500 . ?
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_2
_geom_torsion_site_symmetry_3
_geom_torsion_site_symmetry_4
_geom_torsion_publ_flag
N1 C4 C13 C12 179.16(8) . . . . ?
N2 C7 C8 C9 179.19(9) . . . . ?
N2 C7 C14 C15 -179.21(8) . . . . ?
C1 C2 C3 C4 177.64(9) . . . . ?
C1 C2 C22 C12 -178.55(9) . . . . ?
C2 C3 C4 N1 -179.28(8) . . . . ?
C2 C3 C4 C13 1.20(13) . . . . ?
C3 C2 C22 C12 -0.76(15) . . . . ?
C3 C4 C13 C12 -1.34(13) . . . . ?
C4 N1 C5 P1 -170.83(6) . . . . ?
C5 P1 C6 N2 -78.49(6) . . . . ?
C5 P1 C18 C19 -57.31(9) . . . . ?
C5 P1 C18 C20 65.40(8) . . . . ?
C5 P1 C18 C21 -178.33(7) . . . . ?
C5 N1 C4 C3 156.84(8) . . . . ?
C5 N1 C4 C13 -23.65(12) . . . . ?
C6 P1 C5 N1 71.72(7) . . . . ?
C6 P1 C18 C19 43.72(9) . . . . ?
C6 P1 C18 C20 166.44(7) . . . . ?
C6 P1 C18 C21 -77.29(8) . . . . ?
C6 N2 C7 C8 -9.04(13) . . . . ?
C6 N2 C7 C14 171.23(8) . . . . ?
C7 N2 C6 P1 178.72(6) . . . . ?
C7 C8 C9 C10 -178.09(10) . . . . ?
C7 C8 C9 C17 0.43(15) . . . . ?
C7 C14 C15 C16 179.22(9) . . . . ?
C7 C14 C15 C17 -0.36(14) . . . . ?
C8 C7 C14 C15 1.05(14) . . . . ?
C8 C9 C17 C15 0.28(16) . . . . ?
C10 C9 C17 C15 178.78(10) . . . . ?
C11 C12 C13 C4 -179.34(9) . . . . ?
C11 C12 C22 C2 -179.61(10) . . . . ?
C13 C12 C22 C2 0.63(15) . . . . ?
C14 C7 C8 C9 -1.09(14) . . . . ?
C14 C15 C17 C9 -0.31(15) . . . . ?
C16 C15 C17 C9 -179.89(10) . . . . ?
C18 P1 C5 N1 175.47(6) . . . . ?
C18 P1 C6 N2 177.31(6) . . . . ?
C22 C2 C3 C4 -0.16(14) . . . . ?
C22 C12 C13 C4 0.43(14) . . . . ?
