#------------------------------------------------------------------------------
#$Date: 2016-03-21 10:41:47 +0200 (Mon, 21 Mar 2016) $
#$Revision: 178663 $
#$URL: svn://www.crystallography.net/cod/cif/4/07/74/4077480.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_4077480
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_sum            'C52 H102 Al2 N6 P2'
_chemical_formula_weight         927.30
_chemical_name_systematic
; 
 ? 
;
_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                97.738(2)
_cell_angle_beta                 106.838(2)
_cell_angle_gamma                101.366(2)
_cell_formula_units_Z            1
_cell_length_a                   9.0387(2)
_cell_length_b                   11.3829(4)
_cell_length_c                   14.5238(5)
_cell_measurement_reflns_used    23935
_cell_measurement_temperature    123(2)
_cell_volume                     1372.61(8)
_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 0.998
_diffrn_measured_fraction_theta_max 0.998
_diffrn_measurement_device_type  'Nonius KappaCCD'
_diffrn_measurement_method       'rotation in phi and omega, 2 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  0.0327
_diffrn_reflns_av_sigmaI/netI    0.0369
_diffrn_reflns_limit_h_max       10
_diffrn_reflns_limit_h_min       -10
_diffrn_reflns_limit_k_max       13
_diffrn_reflns_limit_k_min       -13
_diffrn_reflns_limit_l_max       17
_diffrn_reflns_limit_l_min       -17
_diffrn_reflns_number            20460
_diffrn_reflns_theta_full        25.00
_diffrn_reflns_theta_max         25.00
_diffrn_reflns_theta_min         2.99
_exptl_absorpt_coefficient_mu    0.150
_exptl_absorpt_correction_T_max  '0.9925 (theor.)'
_exptl_absorpt_correction_T_min  '0.9706 (theor.)'
_exptl_absorpt_correction_type   none
_exptl_crystal_colour            colorless
_exptl_crystal_density_diffrn    1.122
_exptl_crystal_density_meas      ?
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       plates
_exptl_crystal_F_000             512
_exptl_crystal_size_max          0.20
_exptl_crystal_size_mid          0.15
_exptl_crystal_size_min          0.05
_refine_diff_density_max         0.282
_refine_diff_density_min         -0.286
_refine_diff_density_rms         0.040
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.077
_refine_ls_hydrogen_treatment    mixed
_refine_ls_matrix_type           full
_refine_ls_number_parameters     313
_refine_ls_number_reflns         4825
_refine_ls_number_restraints     81
_refine_ls_restrained_S_all      1.122
_refine_ls_R_factor_all          0.0489
_refine_ls_R_factor_gt           0.0366
_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)+(0.0467P)²+0.3013P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0921
_refine_ls_wR_factor_ref         0.0963
_reflns_number_gt                3926
_reflns_number_total             4825
_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            om000059e.cif
_cod_data_source_block           compound_4
_cod_depositor_comments
;
The following automatic conversions were performed:

'_exptl_crystal_density_meas' value 'none' was changed to '?' - the
value is perceived as not measured.

Automatic conversion script
Id: cif_fix_values 3008 2015-01-20 13:52:24Z robertas 
;
_cod_original_cell_volume        1372.61(7)
_cod_original_sg_symbol_H-M      'P-1 (No.2)'
_cod_database_code               4077480
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 0.34989(5) 0.32922(4) 0.31632(3) 0.01935(13) Uani 1 1 d D . .
H1 H 0.1977(15) 0.2903(15) 0.3102(12) 0.023 Uiso 1 1 d D . .
Al1 Al 0.34927(5) 0.51674(5) 0.48973(4) 0.02213(14) Uani 1 1 d . . .
N1 N 0.44550(15) 0.42160(12) 0.41514(10) 0.0208(3) Uani 1 1 d . . .
N2 N 0.39457(15) 0.19525(12) 0.29736(10) 0.0197(3) Uani 1 1 d . . .
N3 N 0.34409(15) 0.38806(12) 0.21689(10) 0.0218(3) Uani 1 1 d . A .
C1 C 0.2501(2) 0.63161(18) 0.41711(14) 0.0355(5) Uani 1 1 d . . .
H1A H 0.1971 0.6742 0.4561 0.053 Uiso 1 1 calc R . .
H1B H 0.1715 0.5860 0.3542 0.053 Uiso 1 1 calc R . .
H1C H 0.3327 0.6916 0.4051 0.053 Uiso 1 1 calc R . .
C2 C 0.1923(2) 0.41383(18) 0.53544(14) 0.0339(5) Uani 1 1 d . . .
H2A H 0.2389 0.3516 0.5653 0.051 Uiso 1 1 calc R . .
H2B H 0.0961 0.3736 0.4794 0.051 Uiso 1 1 calc R . .
H2C H 0.1643 0.4653 0.5842 0.051 Uiso 1 1 calc R . .
C3 C 0.52042(18) 0.18163(15) 0.25311(12) 0.0204(4) Uani 1 1 d . . .
H3 H 0.5289 0.2470 0.2139 0.025 Uiso 1 1 calc R . .
C4 C 0.68454(19) 0.20256(17) 0.33008(13) 0.0255(4) Uani 1 1 d . . .
H4A H 0.7133 0.2849 0.3724 0.031 Uiso 1 1 calc R . .
H4B H 0.6803 0.1413 0.3722 0.031 Uiso 1 1 calc R . .
C5 C 0.8120(2) 0.19231(18) 0.28192(14) 0.0319(4) Uani 1 1 d . . .
H5A H 0.8250 0.2596 0.2460 0.038 Uiso 1 1 calc R . .
H5B H 0.9153 0.2010 0.3334 0.038 Uiso 1 1 calc R . .
C6 C 0.7682(2) 0.07062(19) 0.21119(14) 0.0344(5) Uani 1 1 d . . .
H6A H 0.7662 0.0036 0.2481 0.041 Uiso 1 1 calc R . .
H6B H 0.8501 0.0686 0.1786 0.041 Uiso 1 1 calc R . .
C7 C 0.6051(2) 0.05047(19) 0.13345(13) 0.0325(4) Uani 1 1 d . . .
H7A H 0.6099 0.1129 0.0924 0.039 Uiso 1 1 calc R . .
H7B H 0.5769 -0.0312 0.0902 0.039 Uiso 1 1 calc R . .
C8 C 0.47691(19) 0.05896(16) 0.18142(12) 0.0251(4) Uani 1 1 d . . .
H8A H 0.4647 -0.0086 0.2171 0.030 Uiso 1 1 calc R . .
H8B H 0.3735 0.0499 0.1299 0.030 Uiso 1 1 calc R . .
C9 C 0.33645(18) 0.09465(15) 0.34384(12) 0.0203(4) Uani 1 1 d . . .
H9 H 0.4137 0.0419 0.3507 0.024 Uiso 1 1 calc R . .
C10 C 0.17478(19) 0.01431(15) 0.27703(13) 0.0260(4) Uani 1 1 d . . .
H10A H 0.1829 -0.0155 0.2118 0.031 Uiso 1 1 calc R . .
H10B H 0.0952 0.0640 0.2677 0.031 Uiso 1 1 calc R . .
C11 C 0.1177(2) -0.09519(17) 0.31928(14) 0.0318(4) Uani 1 1 d . . .
H11A H 0.0099 -0.1419 0.2758 0.038 Uiso 1 1 calc R . .
H11B H 0.1906 -0.1500 0.3216 0.038 Uiso 1 1 calc R . .
C12 C 0.1124(2) -0.05456(17) 0.42169(14) 0.0331(5) Uani 1 1 d . . .
H12A H 0.0835 -0.1273 0.4493 0.040 Uiso 1 1 calc R . .
H12B H 0.0296 -0.0084 0.4184 0.040 Uiso 1 1 calc R . .
C13 C 0.2738(2) 0.02602(17) 0.48852(13) 0.0299(4) Uani 1 1 d . . .
H13A H 0.3540 -0.0231 0.4973 0.036 Uiso 1 1 calc R . .
H13B H 0.2659 0.0551 0.5539 0.036 Uiso 1 1 calc R . .
C14 C 0.3292(2) 0.13643(16) 0.44631(13) 0.0271(4) Uani 1 1 d . . .
H14A H 0.2543 0.1898 0.4430 0.032 Uiso 1 1 calc R . .
H14B H 0.4361 0.1846 0.4901 0.032 Uiso 1 1 calc R . .
C15 C 0.4643(2) 0.50133(15) 0.22294(13) 0.0266(4) Uani 1 1 d . . .
H15 H 0.5373 0.5261 0.2925 0.032 Uiso 1 1 calc R . .
C16 C 0.3924(3) 0.60813(18) 0.20074(17) 0.0430(5) Uani 1 1 d . . .
H16A H 0.3295 0.6232 0.2448 0.052 Uiso 1 1 calc R . .
H16B H 0.3191 0.5876 0.1321 0.052 Uiso 1 1 calc R . .
C17 C 0.5226(3) 0.72409(19) 0.21499(19) 0.0547(6) Uani 1 1 d . . .
H17A H 0.4726 0.7920 0.1992 0.066 Uiso 1 1 calc R . .
H17B H 0.5918 0.7475 0.2846 0.066 Uiso 1 1 calc R . .
C18 C 0.6224(2) 0.70477(18) 0.15051(16) 0.0426(5) Uani 1 1 d . . .
H18A H 0.7079 0.7800 0.1628 0.051 Uiso 1 1 calc R . .
H18B H 0.5551 0.6878 0.0806 0.051 Uiso 1 1 calc R . .
C19 C 0.6961(2) 0.5985(2) 0.1711(2) 0.0539(7) Uani 1 1 d . . .
H19A H 0.7721 0.6195 0.2389 0.065 Uiso 1 1 calc R . .
H19B H 0.7562 0.5838 0.1254 0.065 Uiso 1 1 calc R . .
C20 C 0.5678(2) 0.48168(18) 0.15906(18) 0.0432(5) Uani 1 1 d . . .
H20A H 0.4994 0.4554 0.0893 0.052 Uiso 1 1 calc R . .
H20B H 0.6200 0.4155 0.1770 0.052 Uiso 1 1 calc R . .
C21 C 0.2071(2) 0.3419(2) 0.12432(14) 0.0376(5) Uani 1 1 d D . .
H21A H 0.2373 0.3937 0.0790 0.045 Uiso 0.740(5) 1 calc PR A 1
H21B H 0.1783 0.2616 0.1437 0.045 Uiso 0.260(5) 1 calc PR A 2
C22 C 0.05381(19) 0.37052(18) 0.12995(14) 0.0304(4) Uani 1 1 d D A .
H22A H 0.0752 0.4592 0.1565 0.036 Uiso 0.740(5) 1 calc PR A 1
H22B H 0.0179 0.3259 0.1767 0.036 Uiso 0.740(5) 1 calc PR A 1
H22C H 0.0563 0.4565 0.1240 0.036 Uiso 0.260(5) 1 calc PR A 2
H22D H 0.0418 0.3605 0.1943 0.036 Uiso 0.260(5) 1 calc PR A 2
C23 C -0.0795(4) 0.3374(4) 0.0328(3) 0.0351(9) Uani 0.740(5) 1 d PDU A 1
H23A H -0.0531 0.3922 -0.0107 0.042 Uiso 0.740(5) 1 calc PR A 1
H23B H -0.1793 0.3492 0.0436 0.042 Uiso 0.740(5) 1 calc PR A 1
C24 C -0.1047(3) 0.2051(3) -0.0165(3) 0.0340(8) Uani 0.740(5) 1 d PDU A 1
H24A H -0.1888 0.1859 -0.0815 0.041 Uiso 0.740(5) 1 calc PR A 1
H24B H -0.1398 0.1496 0.0243 0.041 Uiso 0.740(5) 1 calc PR A 1
C25 C 0.0572(2) 0.1853(2) -0.02939(14) 0.0445(5) Uani 1 1 d D . .
H25A H 0.0423 0.0992 -0.0609 0.053 Uiso 0.740(5) 1 calc PR A 1
H25B H 0.0908 0.2388 -0.0718 0.053 Uiso 0.740(5) 1 calc PR A 1
H25C H 0.0680 0.1445 -0.0909 0.053 Uiso 0.260(5) 1 calc PR A 2
H25D H 0.0260 0.1217 0.0064 0.053 Uiso 0.260(5) 1 calc PR A 2
C26 C 0.1838(3) 0.2160(2) 0.07107(18) 0.0269(7) Uani 0.740(5) 1 d PDU A 1
H26A H 0.1529 0.1574 0.1108 0.032 Uiso 0.740(5) 1 calc PR A 1
H26B H 0.2862 0.2062 0.0632 0.032 Uiso 0.740(5) 1 calc PR A 1
C23' C -0.0943(10) 0.2802(10) 0.0431(7) 0.032(2) Uani 0.260(5) 1 d PDU A 2
H23C H -0.1252 0.2025 0.0643 0.038 Uiso 0.260(5) 1 calc PR A 2
H23D H -0.1863 0.3177 0.0311 0.038 Uiso 0.260(5) 1 calc PR A 2
C24' C -0.0595(9) 0.2523(9) -0.0511(6) 0.038(2) Uani 0.260(5) 1 d PDU A 2
H24C H -0.1565 0.2031 -0.1046 0.045 Uiso 0.260(5) 1 calc PR A 2
H24D H -0.0182 0.3286 -0.0711 0.045 Uiso 0.260(5) 1 calc PR A 2
C26' C 0.2328(8) 0.2842(7) 0.0410(5) 0.027(2) Uani 0.260(5) 1 d PDU A 2
H26C H 0.3168 0.2396 0.0603 0.033 Uiso 0.260(5) 1 calc PR A 2
H26D H 0.2671 0.3455 0.0042 0.033 Uiso 0.260(5) 1 calc PR A 2
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'
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 N2 118.60(7) . .
N1 P1 N3 114.09(7) . .
N2 P1 N3 107.28(7) . .
N1 Al1 N1 87.33(6) 2_666 .
N1 Al1 C1 118.29(8) 2_666 .
N1 Al1 C1 112.34(7) . .
N1 Al1 C2 114.34(7) 2_666 .
N1 Al1 C2 112.72(7) . .
C1 Al1 C2 110.09(9) . .
N1 Al1 Al1 44.12(4) 2_666 2_666
N1 Al1 Al1 43.21(4) . 2_666
C1 Al1 Al1 126.14(7) . 2_666
C2 Al1 Al1 123.48(7) . 2_666
P1 N1 Al1 143.50(9) . 2_666
P1 N1 Al1 123.73(8) . .
Al1 N1 Al1 92.67(6) 2_666 .
C3 N2 C9 117.47(13) . .
C3 N2 P1 120.65(11) . .
C9 N2 P1 120.52(11) . .
C21 N3 C15 117.49(14) . .
C21 N3 P1 121.56(12) . .
C15 N3 P1 120.29(11) . .
N2 C3 C4 112.74(13) . .
N2 C3 C8 112.45(13) . .
C4 C3 C8 110.91(13) . .
C5 C4 C3 111.30(14) . .
C6 C5 C4 111.42(15) . .
C5 C6 C7 111.05(15) . .
C8 C7 C6 110.83(15) . .
C7 C8 C3 111.11(14) . .
N2 C9 C14 114.86(13) . .
N2 C9 C10 110.81(13) . .
C14 C9 C10 110.15(14) . .
C9 C10 C11 112.04(14) . .
C12 C11 C10 111.26(15) . .
C11 C12 C13 110.67(15) . .
C12 C13 C14 111.78(14) . .
C9 C14 C13 110.54(15) . .
N3 C15 C16 113.41(14) . .
N3 C15 C20 113.12(15) . .
C16 C15 C20 109.74(15) . .
C15 C16 C17 110.98(18) . .
C18 C17 C16 111.24(18) . .
C17 C18 C19 110.31(18) . .
C18 C19 C20 111.23(17) . .
C15 C20 C19 111.76(18) . .
C26' C21 C26 41.8(3) . .
C26' C21 N3 118.8(3) . .
C26 C21 N3 117.37(17) . .
C26' C21 C22 126.7(3) . .
C26 C21 C22 113.06(17) . .
N3 C21 C22 114.41(15) . .
C21 C22 C23 114.3(2) . .
C21 C22 C23' 109.7(4) . .
C23 C22 C23' 25.2(3) . .
C22 C23 C24 110.7(3) . .
C23 C24 C25 109.3(2) . .
C24' C25 C26 120.5(3) . .
C24' C25 C24 34.5(4) . .
C26 C25 C24 108.7(2) . .
C24' C25 C26' 108.1(5) . .
C26 C25 C26' 36.8(3) . .
C24 C25 C26' 119.8(3) . .
C21 C26 C25 112.85(19) . .
C24' C23' C22 113.4(7) . .
C25 C24' C23' 104.2(7) . .
C21 C26' C25 107.0(4) . .
loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_site_symmetry_2
P1 N1 1.5586(14) .
P1 N2 1.6608(14) .
P1 N3 1.6635(14) .
Al1 N1 1.8930(14) 2_666
Al1 N1 1.9247(15) .
Al1 C1 1.9775(18) .
Al1 C2 1.9814(19) .
Al1 Al1 2.7618(9) 2_666
N1 Al1 1.8930(14) 2_666
N2 C3 1.482(2) .
N2 C9 1.490(2) .
N3 C21 1.485(2) .
N3 C15 1.488(2) .
C3 C4 1.528(2) .
C3 C8 1.531(2) .
C4 C5 1.526(2) .
C5 C6 1.515(3) .
C6 C7 1.527(2) .
C7 C8 1.527(2) .
C9 C14 1.524(2) .
C9 C10 1.525(2) .
C10 C11 1.527(2) .
C11 C12 1.514(3) .
C12 C13 1.524(2) .
C13 C14 1.531(2) .
C15 C16 1.517(3) .
C15 C20 1.521(3) .
C16 C17 1.531(3) .
C17 C18 1.500(3) .
C18 C19 1.515(3) .
C19 C20 1.535(3) .
C21 C26' 1.399(7) .
C21 C26 1.477(3) .
C21 C22 1.507(2) .
C22 C23 1.509(4) .
C22 C23' 1.604(9) .
C23 C24 1.521(5) .
C24 C25 1.583(4) .
C25 C24' 1.408(7) .
C25 C26 1.516(3) .
C25 C26' 1.696(7) .
C23' C24' 1.498(11) .
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
N2 P1 N1 Al1 37.31(17) . 2_666
N3 P1 N1 Al1 -90.61(15) . 2_666
N2 P1 N1 Al1 -137.93(9) . .
N3 P1 N1 Al1 94.16(10) . .
N1 Al1 N1 P1 177.17(13) 2_666 .
C1 Al1 N1 P1 -63.25(12) . .
C2 Al1 N1 P1 61.84(11) . .
Al1 Al1 N1 P1 177.17(13) 2_666 .
N1 Al1 N1 Al1 0.0 2_666 2_666
C1 Al1 N1 Al1 119.59(8) . 2_666
C2 Al1 N1 Al1 -115.33(8) . 2_666
N1 P1 N2 C3 -87.99(13) . .
N3 P1 N2 C3 43.05(13) . .
N1 P1 N2 C9 78.37(13) . .
N3 P1 N2 C9 -150.59(11) . .
N1 P1 N3 C21 -150.59(13) . .
N2 P1 N3 C21 75.92(14) . .
N1 P1 N3 C15 19.92(15) . .
N2 P1 N3 C15 -113.58(13) . .
C9 N2 C3 C4 -74.48(18) . .
P1 N2 C3 C4 92.29(15) . .
C9 N2 C3 C8 51.82(18) . .
P1 N2 C3 C8 -141.41(12) . .
N2 C3 C4 C5 -177.98(14) . .
C8 C3 C4 C5 54.90(19) . .
C3 C4 C5 C6 -55.4(2) . .
C4 C5 C6 C7 56.1(2) . .
C5 C6 C7 C8 -56.4(2) . .
C6 C7 C8 C3 56.2(2) . .
N2 C3 C8 C7 177.22(13) . .
C4 C3 C8 C7 -55.50(18) . .
C3 N2 C9 C14 131.52(15) . .
P1 N2 C9 C14 -35.27(17) . .
C3 N2 C9 C10 -102.88(16) . .
P1 N2 C9 C10 90.34(15) . .
N2 C9 C10 C11 175.78(14) . .
C14 C9 C10 C11 -56.02(19) . .
C9 C10 C11 C12 55.6(2) . .
C10 C11 C12 C13 -54.7(2) . .
C11 C12 C13 C14 55.9(2) . .
N2 C9 C14 C13 -178.00(13) . .
C10 C9 C14 C13 56.05(18) . .
C12 C13 C14 C9 -56.8(2) . .
C21 N3 C15 C16 54.3(2) . .
P1 N3 C15 C16 -116.60(15) . .
C21 N3 C15 C20 -71.51(19) . .
P1 N3 C15 C20 117.60(15) . .
N3 C15 C16 C17 176.10(16) . .
C20 C15 C16 C17 -56.3(2) . .
C15 C16 C17 C18 58.3(2) . .
C16 C17 C18 C19 -57.3(3) . .
C17 C18 C19 C20 55.7(3) . .
N3 C15 C20 C19 -177.03(16) . .
C16 C15 C20 C19 55.2(2) . .
C18 C19 C20 C15 -55.4(3) . .
C15 N3 C21 C26' 74.3(5) . .
P1 N3 C21 C26' -114.9(4) . .
C15 N3 C21 C26 122.0(2) . .
P1 N3 C21 C26 -67.3(2) . .
C15 N3 C21 C22 -102.0(2) . .
P1 N3 C21 C22 68.7(2) . .
C26' C21 C22 C23 -3.2(6) . .
C26 C21 C22 C23 -49.3(3) . .
N3 C21 C22 C23 172.8(2) . .
C26' C21 C22 C23' 23.5(7) . .
C26 C21 C22 C23' -22.5(5) . .
N3 C21 C22 C23' -160.4(4) . .
C21 C22 C23 C24 52.2(4) . .
C23' C22 C23 C24 -32.6(9) . .
C22 C23 C24 C25 -56.7(4) . .
C23 C24 C25 C24' -57.9(6) . .
C23 C24 C25 C26 59.1(4) . .
C23 C24 C25 C26' 20.4(5) . .
C26' C21 C26 C25 -67.7(4) . .
N3 C21 C26 C25 -171.24(19) . .
C22 C21 C26 C25 52.2(3) . .
C24' C25 C26 C21 -21.2(6) . .
C24 C25 C26 C21 -57.0(3) . .
C26' C25 C26 C21 58.1(4) . .
C21 C22 C23' C24' -37.2(9) . .
C23 C22 C23' C24' 68.1(10) . .
C26 C25 C24' C23' -36.0(10) . .
C24 C25 C24' C23' 42.3(6) . .
C26' C25 C24' C23' -74.3(9) . .
C22 C23' C24' C25 66.2(10) . .
C26 C21 C26' C25 52.8(4) . .
N3 C21 C26' C25 152.7(3) . .
C22 C21 C26' C25 -31.4(7) . .
C24' C25 C26' C21 57.4(7) . .
C26 C25 C26' C21 -59.7(4) . .
C24 C25 C26' C21 21.7(6) . .
