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#$Date: 2025-08-20 16:06:16 +0300 (Wed, 20 Aug 2025) $
#$Revision: 301830 $
#$URL: file:///home/coder/svn-repositories/cod/cif/4/07/74/4077481.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_4077481
loop_
_publ_author_name
'Schulz, S.'
'Raab, M.'
'Nieger, M.'
'Niecke, E.'
_publ_section_title
;
 Syntheses and X-ray Structures of Novel Main Group
 Bis(dialkylamino)phosphinimides†
;
_journal_issue                   13
_journal_name_full               Organometallics
_journal_page_first              2616
_journal_paper_doi               10.1021/om000059e
_journal_volume                  19
_journal_year                    2000
_chemical_formula_moiety         'C56 H110 Al2 N6 P2 - Et2O'
_chemical_formula_sum            'C60 H120 Al2 N6 O P2'
_chemical_formula_weight         1057.52
_space_group_IT_number           2
_symmetry_cell_setting           triclinic
_symmetry_space_group_name_Hall  '-P 1'
_symmetry_space_group_name_H-M   'P -1'
_atom_sites_solution_hydrogens   geom
_atom_sites_solution_primary     direct
_atom_sites_solution_secondary   difmap
_audit_creation_method           SHELXL-97
_cell_angle_alpha                98.725(4)
_cell_angle_beta                 105.978(4)
_cell_angle_gamma                106.748(4)
_cell_formula_units_Z            1
_cell_length_a                   9.6873(6)
_cell_length_b                   12.8200(9)
_cell_length_c                   14.2885(12)
_cell_measurement_reflns_used    19500
_cell_measurement_temperature    123(2)
_cell_volume                     1581.3(2)
_computing_cell_refinement       DENZO-SMN
_computing_data_collection       Collect
_computing_data_reduction        DENZO-SMN
_computing_molecular_graphics    XP
_computing_publication_material  'SHELXL-97 (Sheldrick, 1997)'
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 1997)'
_computing_structure_solution    'SHELXS-97 (Sheldrick, 1990)'
_diffrn_ambient_temperature      123(2)
_diffrn_measured_fraction_theta_full 0.995
_diffrn_measured_fraction_theta_max 0.995
_diffrn_measurement_device_type  'Nonius KappaCCD'
_diffrn_measurement_method       'rotation in phi and omega, 1 deg.'
_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  0.0432
_diffrn_reflns_av_sigmaI/netI    0.0450
_diffrn_reflns_limit_h_max       11
_diffrn_reflns_limit_h_min       -11
_diffrn_reflns_limit_k_max       15
_diffrn_reflns_limit_k_min       -15
_diffrn_reflns_limit_l_max       16
_diffrn_reflns_limit_l_min       -16
_diffrn_reflns_number            22067
_diffrn_reflns_theta_full        25.00
_diffrn_reflns_theta_max         25.00
_diffrn_reflns_theta_min         3.01
_exptl_absorpt_coefficient_mu    0.139
_exptl_absorpt_correction_T_max  '0.9728 (theor.)'
_exptl_absorpt_correction_T_min  '0.9402 (theor.)'
_exptl_absorpt_correction_type   none
_exptl_crystal_colour            colorless
_exptl_crystal_density_diffrn    1.111
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       blocks
_exptl_crystal_F_000             586
_exptl_crystal_size_max          0.45
_exptl_crystal_size_mid          0.20
_exptl_crystal_size_min          0.20
_refine_diff_density_max         0.489
_refine_diff_density_min         -0.531
_refine_diff_density_rms         0.047
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.071
_refine_ls_hydrogen_treatment    mixed
_refine_ls_matrix_type           full
_refine_ls_number_parameters     321
_refine_ls_number_reflns         5539
_refine_ls_number_restraints     22
_refine_ls_restrained_S_all      1.071
_refine_ls_R_factor_all          0.0660
_refine_ls_R_factor_gt           0.0471
_refine_ls_shift/su_max          0.000
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'calc w=1/[σ²(Fo²)+(0.0762P)²+0.2327P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1275
_refine_ls_wR_factor_ref         0.1351
_reflns_number_gt                4172
_reflns_number_total             5539
_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            om000059e.cif
_cod_data_source_block           compound_5
_cod_original_sg_symbol_H-M      'P-1 (No.2)'
_cod_database_code               4077481
loop_
_symmetry_equiv_pos_as_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_symmetry_multiplicity
_atom_site_calc_flag
_atom_site_refinement_flags
_atom_site_disorder_assembly
_atom_site_disorder_group
P1 P 0.67803(6) 0.17063(4) 0.18341(4) 0.02731(16) Uani 1 1 d D . .
H1 H 0.745(2) 0.2613(14) 0.1542(15) 0.033 Uiso 1 1 d D . .
N1 N 0.57653(18) 0.07038(14) 0.09026(12) 0.0280(4) Uani 1 1 d . . .
N2 N 0.82192(18) 0.14768(14) 0.26180(13) 0.0282(4) Uani 1 1 d . . .
N3 N 0.59790(19) 0.22798(14) 0.25563(12) 0.0284(4) Uani 1 1 d . . .
Al1 Al 0.39591(7) -0.05816(5) 0.03925(5) 0.02847(18) Uani 1 1 d . . .
C1 C 0.1993(2) -0.03625(18) 0.03199(16) 0.0329(5) Uani 1 1 d . . .
H1A H 0.2040 -0.0022 0.1003 0.040 Uiso 1 1 calc R . .
H1B H 0.1831 0.0164 -0.0104 0.040 Uiso 1 1 calc R . .
C2 C 0.0641(2) -0.14806(19) -0.01215(18) 0.0387(6) Uani 1 1 d . . .
H2A H -0.0312 -0.1344 -0.0147 0.058 Uiso 1 1 calc R . .
H2B H 0.0790 -0.1999 0.0303 0.058 Uiso 1 1 calc R . .
H2C H 0.0582 -0.1812 -0.0803 0.058 Uiso 1 1 calc R . .
C3 C 0.4099(2) -0.19201(18) 0.09094(16) 0.0341(5) Uani 1 1 d . . .
H3A H 0.3377 -0.2605 0.0384 0.041 Uiso 1 1 calc R . .
H3B H 0.5144 -0.1938 0.1015 0.041 Uiso 1 1 calc R . .
C4 C 0.3756(3) -0.1975(2) 0.18898(18) 0.0451(6) Uani 1 1 d . . .
H4A H 0.3853 -0.2662 0.2077 0.068 Uiso 1 1 calc R . .
H4B H 0.2711 -0.1983 0.1793 0.068 Uiso 1 1 calc R . .
H4C H 0.4484 -0.1316 0.2426 0.068 Uiso 1 1 calc R . .
C5 C 0.8322(2) 0.03338(17) 0.25127(16) 0.0296(5) Uani 1 1 d . . .
H5 H 0.7510 -0.0138 0.1863 0.036 Uiso 1 1 calc R . .
C6 C 0.9827(2) 0.02593(18) 0.24212(16) 0.0319(5) Uani 1 1 d . . .
H6A H 1.0034 0.0590 0.1870 0.038 Uiso 1 1 calc R . .
H6B H 1.0676 0.0699 0.3054 0.038 Uiso 1 1 calc R . .
C7 C 0.9760(3) -0.09595(19) 0.22093(18) 0.0374(5) Uani 1 1 d . . .
H7A H 0.8976 -0.1381 0.1545 0.045 Uiso 1 1 calc R . .
H7B H 1.0762 -0.0981 0.2182 0.045 Uiso 1 1 calc R . .
C8 C 0.9372(3) -0.1528(2) 0.30125(18) 0.0390(6) Uani 1 1 d . . .
H8A H 0.9282 -0.2328 0.2831 0.047 Uiso 1 1 calc R . .
H8B H 1.0209 -0.1158 0.3666 0.047 Uiso 1 1 calc R . .
C9 C 0.7879(3) -0.14575(19) 0.31127(18) 0.0368(5) Uani 1 1 d . . .
H9A H 0.7680 -0.1790 0.3665 0.044 Uiso 1 1 calc R . .
H9B H 0.7025 -0.1897 0.2482 0.044 Uiso 1 1 calc R . .
C10 C 0.7947(3) -0.02351(18) 0.33300(17) 0.0347(5) Uani 1 1 d . . .
H10A H 0.8738 0.0186 0.3991 0.042 Uiso 1 1 calc R . .
H10B H 0.6948 -0.0213 0.3364 0.042 Uiso 1 1 calc R . .
C11 C 0.9431(2) 0.25038(18) 0.33451(16) 0.0311(5) Uani 1 1 d . . .
H11 H 0.8926 0.3079 0.3393 0.037 Uiso 1 1 calc R . .
C12 C 1.0026(3) 0.23876(18) 0.44211(16) 0.0367(5) Uani 1 1 d . . .
H12A H 0.9152 0.2098 0.4656 0.044 Uiso 1 1 calc R . .
H12B H 1.0570 0.1842 0.4432 0.044 Uiso 1 1 calc R . .
C13 C 1.1110(3) 0.35231(19) 0.51234(18) 0.0457(6) Uani 1 1 d . . .
H13A H 1.0536 0.4046 0.5160 0.055 Uiso 1 1 calc R . .
H13B H 1.1518 0.3427 0.5808 0.055 Uiso 1 1 calc R . .
C14 C 1.2433(3) 0.4029(2) 0.4765(2) 0.0500(7) Uani 1 1 d . . .
H14A H 1.3059 0.3539 0.4780 0.060 Uiso 1 1 calc R . .
H14B H 1.3094 0.4776 0.5223 0.060 Uiso 1 1 calc R . .
C15 C 1.1837(3) 0.4154(2) 0.37019(19) 0.0463(6) Uani 1 1 d . . .
H15A H 1.2710 0.4461 0.3471 0.056 Uiso 1 1 calc R . .
H15B H 1.1281 0.4692 0.3699 0.056 Uiso 1 1 calc R . .
C16 C 1.0762(3) 0.30193(19) 0.29792(18) 0.0397(6) Uani 1 1 d . . .
H16A H 1.1339 0.2500 0.2936 0.048 Uiso 1 1 calc R . .
H16B H 1.0353 0.3126 0.2299 0.048 Uiso 1 1 calc R . .
C17 C 0.5278(2) 0.31225(17) 0.22639(16) 0.0317(5) Uani 1 1 d . . .
H17 H 0.4642 0.3191 0.2699 0.038 Uiso 1 1 calc R . .
C18 C 0.4198(3) 0.2780(2) 0.11868(18) 0.0443(6) Uani 1 1 d . . .
H18A H 0.3402 0.2039 0.1062 0.053 Uiso 1 1 calc R . .
H18B H 0.4775 0.2707 0.0721 0.053 Uiso 1 1 calc R . .
C19 C 0.3435(3) 0.3657(2) 0.0986(2) 0.0531(7) Uani 1 1 d . . .
H19A H 0.2784 0.3443 0.0269 0.064 Uiso 1 1 calc R . .
H19B H 0.2767 0.3666 0.1399 0.064 Uiso 1 1 calc R . .
C20 C 0.4606(3) 0.4823(2) 0.12289(19) 0.0494(7) Uani 1 1 d . . .
H20A H 0.4075 0.5373 0.1136 0.059 Uiso 1 1 calc R . .
H20B H 0.5193 0.4839 0.0760 0.059 Uiso 1 1 calc R . .
C21 C 0.5701(3) 0.5156(2) 0.23030(19) 0.0470(6) Uani 1 1 d . . .
H21A H 0.5133 0.5227 0.2775 0.056 Uiso 1 1 calc R . .
H21B H 0.6498 0.5897 0.2427 0.056 Uiso 1 1 calc R . .
C22 C 0.6464(3) 0.42814(18) 0.24961(18) 0.0392(6) Uani 1 1 d . . .
H22A H 0.7113 0.4264 0.2071 0.047 Uiso 1 1 calc R . .
H22B H 0.7131 0.4497 0.3209 0.047 Uiso 1 1 calc R . .
C23 C 0.5723(2) 0.18525(17) 0.34254(15) 0.0294(5) Uani 1 1 d . . .
H23 H 0.6336 0.1349 0.3552 0.035 Uiso 1 1 calc R . .
C24 C 0.6315(3) 0.27907(19) 0.43884(16) 0.0388(6) Uani 1 1 d . . .
H24A H 0.5733 0.3310 0.4298 0.047 Uiso 1 1 calc R . .
H24B H 0.7406 0.3225 0.4525 0.047 Uiso 1 1 calc R . .
C25 C 0.6149(3) 0.2309(2) 0.52832(18) 0.0471(6) Uani 1 1 d . . .
H25A H 0.6807 0.1846 0.5414 0.057 Uiso 1 1 calc R . .
H25B H 0.6492 0.2932 0.5890 0.057 Uiso 1 1 calc R . .
C26 C 0.4497(3) 0.1592(2) 0.50746(19) 0.0491(7) Uani 1 1 d . . .
H26A H 0.4424 0.1254 0.5645 0.059 Uiso 1 1 calc R . .
H26B H 0.3858 0.2074 0.5015 0.059 Uiso 1 1 calc R . .
C27 C 0.3894(3) 0.0666(2) 0.41145(19) 0.0434(6) Uani 1 1 d . . .
H27A H 0.2800 0.0241 0.3980 0.052 Uiso 1 1 calc R . .
H27B H 0.4461 0.0137 0.4202 0.052 Uiso 1 1 calc R . .
C28 C 0.4062(2) 0.1137(2) 0.32143(18) 0.0385(6) Uani 1 1 d . . .
H28A H 0.3719 0.0509 0.2611 0.046 Uiso 1 1 calc R . .
H28B H 0.3406 0.1601 0.3078 0.046 Uiso 1 1 calc R . .
C2E C 0.0502(13) 0.4268(9) -0.1401(7) 0.133(3) Uiso 0.50 1 d PDU A -1
H2E1 H 0.0085 0.4218 -0.2120 0.199 Uiso 0.50 1 calc PR A -1
H2E2 H 0.0336 0.3509 -0.1298 0.199 Uiso 0.50 1 calc PR A -1
H2E3 H 0.1603 0.4700 -0.1149 0.199 Uiso 0.50 1 calc PR A -1
C1E C -0.0297(14) 0.4851(11) -0.0836(7) 0.148(4) Uiso 0.50 1 d PDU A -1
H1E1 H -0.0146 0.5617 -0.0940 0.177 Uiso 0.50 1 calc PR A -1
H1E2 H -0.1410 0.4420 -0.1081 0.177 Uiso 0.50 1 calc PR A -1
O1E O 0.0348(7) 0.4910(6) 0.0193(4) 0.1090(19) Uiso 0.50 1 d PDU A -1
C3E C -0.0409(14) 0.5389(12) 0.0748(7) 0.151(4) Uiso 0.50 1 d PDU A -1
H3E1 H -0.1510 0.4925 0.0506 0.181 Uiso 0.50 1 calc PR A -1
H3E2 H -0.0317 0.6154 0.0657 0.181 Uiso 0.50 1 calc PR A -1
C4E C 0.0305(10) 0.5450(8) 0.1850(6) 0.108(3) Uiso 0.50 1 d PDU A -1
H4E1 H -0.0224 0.5778 0.2241 0.161 Uiso 0.50 1 calc PR A -1
H4E2 H 0.1390 0.5920 0.2087 0.161 Uiso 0.50 1 calc PR A -1
H4E3 H 0.0209 0.4691 0.1935 0.161 Uiso 0.50 1 calc PR 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'
Al Al 0.0645 0.0514 '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'
O O 0.0106 0.0060 '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
N1 P1 N3 120.00(9) . .
N1 P1 N2 114.62(9) . .
N3 P1 N2 105.57(9) . .
P1 N1 Al1 143.93(11) . .
P1 N1 Al1 123.55(10) . 2_655
Al1 N1 Al1 92.04(8) . 2_655
C5 N2 C11 123.79(16) . .
C5 N2 P1 120.93(14) . .
C11 N2 P1 115.03(13) . .
C23 N3 C17 117.18(16) . .
C23 N3 P1 121.49(13) . .
C17 N3 P1 120.69(13) . .
N1 Al1 N1 87.96(8) . 2_655
N1 Al1 C1 117.93(9) . .
N1 Al1 C1 110.74(9) 2_655 .
N1 Al1 C3 115.60(8) . .
N1 Al1 C3 110.91(9) 2_655 .
C1 Al1 C3 111.33(9) . .
N1 Al1 Al1 44.54(5) . 2_655
N1 Al1 Al1 43.42(5) 2_655 2_655
C1 Al1 Al1 124.79(7) . 2_655
C3 Al1 Al1 123.21(7) . 2_655
C2 C1 Al1 111.46(15) . .
C4 C3 Al1 115.96(16) . .
N2 C5 C6 114.94(17) . .
N2 C5 C10 113.73(17) . .
C6 C5 C10 109.81(17) . .
C7 C6 C5 110.96(17) . .
C8 C7 C6 111.75(18) . .
C9 C8 C7 110.72(18) . .
C8 C9 C10 110.82(18) . .
C9 C10 C5 111.42(18) . .
N2 C11 C12 115.01(17) . .
N2 C11 C16 113.98(17) . .
C12 C11 C16 111.00(18) . .
C13 C12 C11 110.38(18) . .
C14 C13 C12 111.6(2) . .
C13 C14 C15 110.4(2) . .
C14 C15 C16 111.0(2) . .
C15 C16 C11 110.41(19) . .
N3 C17 C22 112.32(17) . .
N3 C17 C18 114.52(18) . .
C22 C17 C18 110.94(18) . .
C17 C18 C19 110.5(2) . .
C20 C19 C18 111.7(2) . .
C19 C20 C21 111.1(2) . .
C20 C21 C22 110.9(2) . .
C17 C22 C21 111.07(19) . .
N3 C23 C28 113.05(17) . .
N3 C23 C24 112.56(17) . .
C28 C23 C24 110.85(18) . .
C23 C24 C25 110.98(18) . .
C26 C25 C24 110.6(2) . .
C27 C26 C25 111.32(19) . .
C26 C27 C28 111.7(2) . .
C23 C28 C27 110.40(18) . .
O1E C1E C2E 107.4(7) . .
C3E O1E C1E 109.8(7) . .
O1E C3E C4E 109.0(7) . .
loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_site_symmetry_2
P1 N1 1.5564(18) .
P1 N3 1.6576(17) .
P1 N2 1.6616(17) .
N1 Al1 1.8921(18) .
N1 Al1 1.9309(17) 2_655
N2 C5 1.485(3) .
N2 C11 1.488(3) .
N3 C23 1.484(2) .
N3 C17 1.485(3) .
Al1 N1 1.9309(17) 2_655
Al1 C1 1.981(2) .
Al1 C3 1.993(2) .
Al1 Al1 2.7510(12) 2_655
C1 C2 1.535(3) .
C3 C4 1.533(3) .
C5 C6 1.527(3) .
C5 C10 1.539(3) .
C6 C7 1.525(3) .
C7 C8 1.524(3) .
C8 C9 1.519(3) .
C9 C10 1.529(3) .
C11 C12 1.533(3) .
C11 C16 1.535(3) .
C12 C13 1.525(3) .
C13 C14 1.519(4) .
C14 C15 1.521(4) .
C15 C16 1.532(3) .
C17 C22 1.514(3) .
C17 C18 1.517(3) .
C18 C19 1.535(3) .
C19 C20 1.513(3) .
C20 C21 1.519(3) .
C21 C22 1.529(3) .
C23 C28 1.523(3) .
C23 C24 1.528(3) .
C24 C25 1.529(3) .
C25 C26 1.516(4) .
C26 C27 1.516(4) .
C27 C28 1.530(3) .
C2E C1E 1.519(9) .
C1E O1E 1.411(8) .
O1E C3E 1.406(9) .
C3E C4E 1.516(9) .
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
N3 P1 N1 Al1 -32.8(2) . .
N2 P1 N1 Al1 94.49(18) . .
N3 P1 N1 Al1 136.64(11) . 2_655
N2 P1 N1 Al1 -96.10(12) . 2_655
N1 P1 N2 C5 -10.43(18) . .
N3 P1 N2 C5 123.88(15) . .
N1 P1 N2 C11 163.99(13) . .
N3 P1 N2 C11 -61.70(15) . .
N1 P1 N3 C23 89.06(17) . .
N2 P1 N3 C23 -42.25(17) . .
N1 P1 N3 C17 -81.50(17) . .
N2 P1 N3 C17 147.18(15) . .
P1 N1 Al1 N1 171.2(2) . 2_655
Al1 N1 Al1 N1 0.0 2_655 2_655
P1 N1 Al1 C1 58.7(2) . .
Al1 N1 Al1 C1 -112.46(10) 2_655 .
P1 N1 Al1 C3 -76.6(2) . .
Al1 N1 Al1 C3 112.27(9) 2_655 .
P1 N1 Al1 Al1 171.2(2) . 2_655
N1 Al1 C1 C2 179.27(14) . .
N1 Al1 C1 C2 80.20(16) 2_655 .
C3 Al1 C1 C2 -43.68(18) . .
Al1 Al1 C1 C2 127.15(14) 2_655 .
N1 Al1 C3 C4 87.20(18) . .
N1 Al1 C3 C4 -174.71(15) 2_655 .
C1 Al1 C3 C4 -50.92(19) . .
Al1 Al1 C3 C4 138.08(15) 2_655 .
C11 N2 C5 C6 -48.8(3) . .
P1 N2 C5 C6 125.16(17) . .
C11 N2 C5 C10 79.0(2) . .
P1 N2 C5 C10 -107.05(18) . .
N2 C5 C6 C7 -174.18(17) . .
C10 C5 C6 C7 56.1(2) . .
C5 C6 C7 C8 -56.6(2) . .
C6 C7 C8 C9 56.0(3) . .
C7 C8 C9 C10 -55.7(3) . .
C8 C9 C10 C5 56.7(2) . .
N2 C5 C10 C9 173.04(17) . .
C6 C5 C10 C9 -56.6(2) . .
C5 N2 C11 C12 -48.0(3) . .
P1 N2 C11 C12 137.75(16) . .
C5 N2 C11 C16 81.8(2) . .
P1 N2 C11 C16 -92.4(2) . .
N2 C11 C12 C13 -172.99(18) . .
C16 C11 C12 C13 55.7(3) . .
C11 C12 C13 C14 -56.5(3) . .
C12 C13 C14 C15 57.3(3) . .
C13 C14 C15 C16 -57.2(3) . .
C14 C15 C16 C11 56.8(3) . .
N2 C11 C16 C15 172.15(18) . .
C12 C11 C16 C15 -56.1(3) . .
C23 N3 C17 C22 110.0(2) . .
P1 N3 C17 C22 -79.1(2) . .
C23 N3 C17 C18 -122.3(2) . .
P1 N3 C17 C18 48.7(2) . .
N3 C17 C18 C19 175.31(19) . .
C22 C17 C18 C19 -56.3(3) . .
C17 C18 C19 C20 55.6(3) . .
C18 C19 C20 C21 -55.1(3) . .
C19 C20 C21 C22 55.2(3) . .
N3 C17 C22 C21 -173.32(18) . .
C18 C17 C22 C21 57.1(3) . .
C20 C21 C22 C17 -56.3(3) . .
C17 N3 C23 C28 67.7(2) . .
P1 N3 C23 C28 -103.21(19) . .
C17 N3 C23 C24 -58.9(2) . .
P1 N3 C23 C24 130.24(17) . .
N3 C23 C24 C25 -175.38(18) . .
C28 C23 C24 C25 56.9(3) . .
C23 C24 C25 C26 -56.5(3) . .
C24 C25 C26 C27 55.8(3) . .
C25 C26 C27 C28 -55.9(3) . .
N3 C23 C28 C27 176.56(18) . .
C24 C23 C28 C27 -56.0(3) . .
C26 C27 C28 C23 55.7(3) . .
C2E C1E O1E C3E -176.8(9) . .
C1E O1E C3E C4E -179.8(7) . .
loop_
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1 PubChem 139106615
