#------------------------------------------------------------------------------
#$Date: 2016-03-23 01:35:19 +0200 (Wed, 23 Mar 2016) $
#$Revision: 179147 $
#$URL: svn://www.crystallography.net/cod/cif/4/31/08/4310827.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_4310827
loop_
_publ_author_name
'Zhaofu Fei'
'Nermin Biricik'
'Dongbin Zhao'
'Rosario Scopelliti'
'Paul J. Dyson'
_publ_contact_author_address
;
Institut de Chimie Moléculaire et Biologique
École Polytechnique Fédérale de Lausanne
1015 Lausanne
Switzerland
;
_publ_contact_author_email       paul.dyson@epfl.ch
_publ_contact_author_fax         '+41 21 693 9885'
_publ_contact_author_name        'Paul J. Dyson'
_publ_contact_author_phone       '+41 21 693 9854'
_publ_section_title
;
 Transformation between Diphosphinoamines and Iminobiphosphines: a
 Reversible PNP ←→ NP-P Rearrangement Triggered by
 Protonation/Deprotonation
;
_journal_name_full               'Inorganic Chemistry'
_journal_page_first              2228
_journal_page_last               2230
_journal_paper_doi               10.1021/ic049850w
_journal_volume                  43
_journal_year                    2004
_chemical_formula_moiety         'C29 H25 N2 P2, B F4'
_chemical_formula_sum            'C29 H25 B F4 N2 P2'
_chemical_formula_weight         550.26
_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                96.71(5)
_cell_angle_beta                 102.60(4)
_cell_angle_gamma                102.69(4)
_cell_formula_units_Z            2
_cell_length_a                   9.893(4)
_cell_length_b                   11.133(7)
_cell_length_c                   12.673(6)
_cell_measurement_reflns_used    753
_cell_measurement_temperature    140(2)
_cell_measurement_theta_max      16.92115
_cell_measurement_theta_min      1.67535
_cell_volume                     1308.8(12)
_computing_cell_refinement       'Oxford Diffraction CrysAlis RED'
_computing_data_collection       'marresearch mar345'
_computing_data_reduction        'Oxford Diffraction CrysAlis RED'
_computing_molecular_graphics    'Bruker SHELXTL'
_computing_publication_material  'Bruker SHELXTL'
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 1997)'
_computing_structure_solution    'SHELXS-97 (Sheldrick, 1990)'
_diffrn_ambient_temperature      140(2)
_diffrn_measured_fraction_theta_full 0.937
_diffrn_measured_fraction_theta_max 0.937
_diffrn_measurement_device_type  'marresearch mar345 IPDS'
_diffrn_measurement_method
'60 images with deltaphi = 3 deg. and exp. time = 180 sec.'
_diffrn_radiation_monochromator  graphite
_diffrn_radiation_source         'fine-focus sealed tube'
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71070
_diffrn_reflns_av_R_equivalents  0.0478
_diffrn_reflns_av_sigmaI/netI    0.0621
_diffrn_reflns_limit_h_max       11
_diffrn_reflns_limit_h_min       -11
_diffrn_reflns_limit_k_max       13
_diffrn_reflns_limit_k_min       -13
_diffrn_reflns_limit_l_max       14
_diffrn_reflns_limit_l_min       -15
_diffrn_reflns_number            8502
_diffrn_reflns_theta_full        25.02
_diffrn_reflns_theta_max         25.02
_diffrn_reflns_theta_min         3.13
_exptl_absorpt_coefficient_mu    0.217
_exptl_absorpt_correction_T_max  0.6170
_exptl_absorpt_correction_T_min  0.1440
_exptl_absorpt_correction_type   refdelf
_exptl_absorpt_process_details
; 
(See: Walker, N. & Stuart, D. (1983) Acta Cryst. A39, 158-166) 
;
_exptl_crystal_colour            colourless
_exptl_crystal_density_diffrn    1.396
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       prismatic
_exptl_crystal_F_000             568
_exptl_crystal_size_max          0.13
_exptl_crystal_size_mid          0.11
_exptl_crystal_size_min          0.10
_refine_diff_density_max         0.311
_refine_diff_density_min         -0.403
_refine_diff_density_rms         0.059
_refine_ls_extinction_coef       0.006(3)
_refine_ls_extinction_expression Fc^*^=kFc[1+0.001xFc²λ³/sin(2θ)]^-1/4^
_refine_ls_extinction_method     SHELXL
_refine_ls_goodness_of_fit_ref   1.029
_refine_ls_hydrogen_treatment    mixed
_refine_ls_matrix_type           full
_refine_ls_number_parameters     344
_refine_ls_number_reflns         4327
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      1.029
_refine_ls_R_factor_all          0.0903
_refine_ls_R_factor_gt           0.0601
_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)+(0.1073P)²+0.0000P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1687
_refine_ls_wR_factor_ref         0.1951
_reflns_number_gt                2553
_reflns_number_total             4327
_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            ic049850wsi20040216_044808_1.cif
_cod_data_source_block           8BF4(supplementary_structure)
_cod_depositor_comments
;
The following automatic conversions were performed:
'_symmetry_cell_setting' value 'Triclinic' changed to 'triclinic'
according to '/home/saulius/struct/CIF-dictionaries/cif_core.dic'
dictionary named 'cif_core.dic' version 2.4.1 from 2010-06-29.

Automatic conversion script
Id: cif_fix_enum 1527 2010-12-29 10:47:43Z saulius 
;
_cod_original_cell_volume        1308.9(12)
_cod_database_code               4310827
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 0.10568(10) 0.11589(10) 0.29659(8) 0.0539(3) Uani 1 1 d . . .
P2 P 0.27187(11) 0.02677(10) 0.37396(9) 0.0569(3) Uani 1 1 d . . .
N1 N 0.1665(3) 0.2045(3) 0.2183(3) 0.0542(8) Uani 1 1 d . . .
N2 N 0.2328(3) 0.3845(3) 0.1525(3) 0.0535(8) Uani 1 1 d . . .
H2A H 0.3098 0.3598 0.1465 0.064 Uiso 1 1 calc R . .
C1 C 0.1343(4) 0.3097(4) 0.1930(3) 0.0521(9) Uani 1 1 d . . .
C2 C 0.0117(4) 0.3525(4) 0.2010(3) 0.0570(10) Uani 1 1 d . . .
H2B H -0.0611 0.3040 0.2277 0.068 Uiso 1 1 calc R . .
C3 C -0.0015(4) 0.4644(4) 0.1701(3) 0.0607(10) Uani 1 1 d . . .
H3 H -0.0838 0.4928 0.1759 0.073 Uiso 1 1 calc R . .
C4 C 0.1039(5) 0.5375(4) 0.1302(3) 0.0633(10) Uani 1 1 d . . .
H4 H 0.0949 0.6154 0.1100 0.076 Uiso 1 1 calc R . .
C5 C 0.2193(4) 0.4941(4) 0.1211(3) 0.0595(10) Uani 1 1 d . . .
H5 H 0.2911 0.5409 0.0924 0.071 Uiso 1 1 calc R . .
C6 C 0.0455(4) 0.1958(4) 0.4033(3) 0.0544(9) Uani 1 1 d . . .
C7 C 0.1390(4) 0.3030(4) 0.4729(3) 0.0574(9) Uani 1 1 d . . .
H7 H 0.2360 0.3272 0.4694 0.069 Uiso 1 1 calc R . .
C8 C 0.0901(5) 0.3732(4) 0.5463(3) 0.0630(10) Uani 1 1 d . . .
H8 H 0.1536 0.4458 0.5931 0.076 Uiso 1 1 calc R . .
C9 C -0.0507(5) 0.3385(4) 0.5522(4) 0.0631(10) Uani 1 1 d . . .
H9 H -0.0835 0.3879 0.6026 0.076 Uiso 1 1 calc R . .
C10 C -0.1444(4) 0.2324(4) 0.4850(3) 0.0581(9) Uani 1 1 d . . .
H10 H -0.2408 0.2083 0.4899 0.070 Uiso 1 1 calc R . .
C11 C -0.0962(4) 0.1613(4) 0.4105(3) 0.0570(9) Uani 1 1 d . . .
H11 H -0.1603 0.0887 0.3640 0.068 Uiso 1 1 calc R . .
C12 C -0.0393(4) -0.0152(4) 0.2218(3) 0.0521(9) Uani 1 1 d . . .
C13 C -0.0979(4) -0.0198(4) 0.1107(3) 0.0553(9) Uani 1 1 d . . .
H13 H -0.0644 0.0474 0.0755 0.066 Uiso 1 1 calc R . .
C14 C -0.2060(4) -0.1231(4) 0.0512(3) 0.0592(10) Uani 1 1 d . . .
H14 H -0.2466 -0.1262 -0.0246 0.071 Uiso 1 1 calc R . .
C15 C -0.2545(4) -0.2216(4) 0.1024(3) 0.0619(10) Uani 1 1 d . . .
H15 H -0.3283 -0.2918 0.0616 0.074 Uiso 1 1 calc R . .
C16 C -0.1955(4) -0.2179(4) 0.2132(3) 0.0601(10) Uani 1 1 d . . .
H16 H -0.2286 -0.2856 0.2479 0.072 Uiso 1 1 calc R . .
C17 C -0.0880(4) -0.1150(4) 0.2730(3) 0.0568(9) Uani 1 1 d . . .
H17 H -0.0475 -0.1123 0.3487 0.068 Uiso 1 1 calc R . .
C18 C 0.4066(4) 0.1672(4) 0.4527(3) 0.0545(9) Uani 1 1 d . . .
C19 C 0.4696(4) 0.2675(4) 0.4075(3) 0.0528(9) Uani 1 1 d . . .
H19 H 0.4476 0.2637 0.3302 0.063 Uiso 1 1 calc R . .
C20 C 0.5638(4) 0.3719(4) 0.4758(3) 0.0596(10) Uani 1 1 d . . .
H20 H 0.6068 0.4399 0.4453 0.072 Uiso 1 1 calc R . .
C21 C 0.5961(5) 0.3782(4) 0.5886(3) 0.0647(11) Uani 1 1 d . . .
H21 H 0.6604 0.4506 0.6351 0.078 Uiso 1 1 calc R . .
C22 C 0.5347(5) 0.2791(4) 0.6338(4) 0.0690(11) Uani 1 1 d . . .
H22 H 0.5575 0.2832 0.7112 0.083 Uiso 1 1 calc R . .
C23 C 0.4397(4) 0.1736(4) 0.5656(3) 0.0610(10) Uani 1 1 d . . .
H23 H 0.3973 0.1056 0.5965 0.073 Uiso 1 1 calc R . .
C24 C 0.3330(4) -0.0199(4) 0.2514(3) 0.0573(9) Uani 1 1 d . . .
C25 C 0.4725(4) 0.0265(4) 0.2435(3) 0.0603(10) Uani 1 1 d . . .
H25 H 0.5364 0.0920 0.2985 0.072 Uiso 1 1 calc R . .
C26 C 0.5189(5) -0.0221(4) 0.1560(4) 0.0690(11) Uani 1 1 d . . .
H26 H 0.6144 0.0103 0.1518 0.083 Uiso 1 1 calc R . .
C27 C 0.4271(5) -0.1176(4) 0.0744(4) 0.0659(11) Uani 1 1 d . . .
H27 H 0.4592 -0.1512 0.0148 0.079 Uiso 1 1 calc R . .
C28 C 0.2886(5) -0.1626(4) 0.0818(3) 0.0651(11) Uani 1 1 d . . .
H28 H 0.2244 -0.2266 0.0257 0.078 Uiso 1 1 calc R . .
C29 C 0.2416(5) -0.1161(4) 0.1694(3) 0.0609(10) Uani 1 1 d . . .
H29 H 0.1465 -0.1498 0.1738 0.073 Uiso 1 1 calc R . .
F1 F 0.4792(2) 0.3063(2) 0.1353(2) 0.0672(7) Uani 1 1 d . . .
F2 F 0.6564(3) 0.4304(3) 0.0806(2) 0.0939(10) Uani 1 1 d . . .
F3 F 0.7055(3) 0.3665(4) 0.2433(2) 0.1009(11) Uani 1 1 d . . .
F4 F 0.5726(4) 0.5039(3) 0.2216(3) 0.1171(13) Uani 1 1 d . . .
B1 B 0.6052(5) 0.4022(5) 0.1697(4) 0.0639(12) 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'
B B 0.0013 0.0007 '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'
F F 0.0171 0.0103 '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
N1 P1 C12 112.58(18) . . ?
N1 P1 C6 113.91(18) . . ?
C12 P1 C6 107.97(18) . . ?
N1 P1 P2 109.67(13) . . ?
C12 P1 P2 103.35(14) . . ?
C6 P1 P2 108.78(14) . . ?
C18 P2 C24 106.30(18) . . ?
C18 P2 P1 99.06(14) . . ?
C24 P2 P1 98.64(14) . . ?
C1 N1 P1 129.0(3) . . ?
C5 N2 C1 124.1(3) . . ?
C5 N2 H2A 117.9 . . ?
C1 N2 H2A 117.9 . . ?
N1 C1 N2 115.0(3) . . ?
N1 C1 C2 128.8(4) . . ?
N2 C1 C2 116.2(4) . . ?
C3 C2 C1 119.7(4) . . ?
C3 C2 H2B 120.2 . . ?
C1 C2 H2B 120.2 . . ?
C2 C3 C4 121.4(4) . . ?
C2 C3 H3 119.3 . . ?
C4 C3 H3 119.3 . . ?
C5 C4 C3 118.2(4) . . ?
C5 C4 H4 120.9 . . ?
C3 C4 H4 120.9 . . ?
N2 C5 C4 120.4(4) . . ?
N2 C5 H5 119.8 . . ?
C4 C5 H5 119.8 . . ?
C11 C6 C7 119.1(4) . . ?
C11 C6 P1 121.4(3) . . ?
C7 C6 P1 119.1(3) . . ?
C8 C7 C6 119.9(4) . . ?
C8 C7 H7 120.0 . . ?
C6 C7 H7 120.0 . . ?
C7 C8 C9 120.4(4) . . ?
C7 C8 H8 119.8 . . ?
C9 C8 H8 119.8 . . ?
C8 C9 C10 120.5(4) . . ?
C8 C9 H9 119.8 . . ?
C10 C9 H9 119.8 . . ?
C9 C10 C11 119.5(4) . . ?
C9 C10 H10 120.2 . . ?
C11 C10 H10 120.2 . . ?
C10 C11 C6 120.5(4) . . ?
C10 C11 H11 119.7 . . ?
C6 C11 H11 119.7 . . ?
C13 C12 C17 119.8(4) . . ?
C13 C12 P1 119.5(3) . . ?
C17 C12 P1 120.6(3) . . ?
C12 C13 C14 119.9(4) . . ?
C12 C13 H13 120.1 . . ?
C14 C13 H13 120.1 . . ?
C15 C14 C13 120.1(4) . . ?
C15 C14 H14 120.0 . . ?
C13 C14 H14 120.0 . . ?
C14 C15 C16 120.3(4) . . ?
C14 C15 H15 119.9 . . ?
C16 C15 H15 119.9 . . ?
C17 C16 C15 119.9(4) . . ?
C17 C16 H16 120.0 . . ?
C15 C16 H16 120.0 . . ?
C16 C17 C12 120.0(4) . . ?
C16 C17 H17 120.0 . . ?
C12 C17 H17 120.0 . . ?
C23 C18 C19 119.7(4) . . ?
C23 C18 P2 115.3(3) . . ?
C19 C18 P2 124.9(3) . . ?
C20 C19 C18 119.7(4) . . ?
C20 C19 H19 120.1 . . ?
C18 C19 H19 120.1 . . ?
C19 C20 C21 120.4(4) . . ?
C19 C20 H20 119.8 . . ?
C21 C20 H20 119.8 . . ?
C22 C21 C20 120.1(4) . . ?
C22 C21 H21 119.9 . . ?
C20 C21 H21 119.9 . . ?
C21 C22 C23 119.8(4) . . ?
C21 C22 H22 120.1 . . ?
C23 C22 H22 120.1 . . ?
C18 C23 C22 120.2(4) . . ?
C18 C23 H23 119.9 . . ?
C22 C23 H23 119.9 . . ?
C25 C24 C29 118.5(4) . . ?
C25 C24 P2 122.4(3) . . ?
C29 C24 P2 118.7(3) . . ?
C26 C25 C24 120.5(4) . . ?
C26 C25 H25 119.8 . . ?
C24 C25 H25 119.8 . . ?
C25 C26 C27 120.7(4) . . ?
C25 C26 H26 119.6 . . ?
C27 C26 H26 119.6 . . ?
C28 C27 C26 118.7(4) . . ?
C28 C27 H27 120.7 . . ?
C26 C27 H27 120.7 . . ?
C27 C28 C29 121.1(4) . . ?
C27 C28 H28 119.4 . . ?
C29 C28 H28 119.4 . . ?
C28 C29 C24 120.5(4) . . ?
C28 C29 H29 119.8 . . ?
C24 C29 H29 119.8 . . ?
F3 B1 F2 110.1(4) . . ?
F3 B1 F4 108.6(4) . . ?
F2 B1 F4 111.1(5) . . ?
F3 B1 F1 110.0(4) . . ?
F2 B1 F1 109.8(4) . . ?
F4 B1 F1 107.3(4) . . ?
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 N1 1.597(3) . ?
P1 C12 1.803(4) . ?
P1 C6 1.811(4) . ?
P1 P2 2.2113(19) . ?
P2 C18 1.832(4) . ?
P2 C24 1.846(4) . ?
N1 C1 1.335(5) . ?
N2 C5 1.351(5) . ?
N2 C1 1.367(5) . ?
N2 H2A 0.8800 . ?
C1 C2 1.416(6) . ?
C2 C3 1.373(6) . ?
C2 H2B 0.9500 . ?
C3 C4 1.400(6) . ?
C3 H3 0.9500 . ?
C4 C5 1.355(6) . ?
C4 H4 0.9500 . ?
C5 H5 0.9500 . ?
C6 C11 1.395(5) . ?
C6 C7 1.404(5) . ?
C7 C8 1.380(6) . ?
C7 H7 0.9500 . ?
C8 C9 1.382(6) . ?
C8 H8 0.9500 . ?
C9 C10 1.385(6) . ?
C9 H9 0.9500 . ?
C10 C11 1.390(6) . ?
C10 H10 0.9500 . ?
C11 H11 0.9500 . ?
C12 C13 1.391(5) . ?
C12 C17 1.398(5) . ?
C13 C14 1.393(5) . ?
C13 H13 0.9500 . ?
C14 C15 1.387(6) . ?
C14 H14 0.9500 . ?
C15 C16 1.390(6) . ?
C15 H15 0.9500 . ?
C16 C17 1.388(5) . ?
C16 H16 0.9500 . ?
C17 H17 0.9500 . ?
C18 C23 1.386(6) . ?
C18 C19 1.401(6) . ?
C19 C20 1.380(5) . ?
C19 H19 0.9500 . ?
C20 C21 1.385(6) . ?
C20 H20 0.9500 . ?
C21 C22 1.385(6) . ?
C21 H21 0.9500 . ?
C22 C23 1.391(6) . ?
C22 H22 0.9500 . ?
C23 H23 0.9500 . ?
C24 C25 1.393(6) . ?
C24 C29 1.396(6) . ?
C25 C26 1.387(6) . ?
C25 H25 0.9500 . ?
C26 C27 1.390(6) . ?
C26 H26 0.9500 . ?
C27 C28 1.379(6) . ?
C27 H27 0.9500 . ?
C28 C29 1.383(6) . ?
C28 H28 0.9500 . ?
C29 H29 0.9500 . ?
F1 B1 1.398(5) . ?
F2 B1 1.375(6) . ?
F3 B1 1.367(6) . ?
F4 B1 1.377(6) . ?
loop_
_geom_hbond_atom_site_label_D
_geom_hbond_atom_site_label_H
_geom_hbond_atom_site_label_A
_geom_hbond_distance_DH
_geom_hbond_distance_HA
_geom_hbond_distance_DA
_geom_hbond_angle_DHA
_geom_hbond_site_symmetry_A
N2 H2A F1 0.88 1.93 2.805(4) 179.4 .
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 P1 P2 C18 62.94(18) . . . . ?
C12 P1 P2 C18 -176.80(18) . . . . ?
C6 P1 P2 C18 -62.24(19) . . . . ?
N1 P1 P2 C24 -45.21(19) . . . . ?
C12 P1 P2 C24 75.04(19) . . . . ?
C6 P1 P2 C24 -170.39(18) . . . . ?
C12 P1 N1 C1 96.3(3) . . . . ?
C6 P1 N1 C1 -27.0(4) . . . . ?
P2 P1 N1 C1 -149.2(3) . . . . ?
P1 N1 C1 N2 160.6(3) . . . . ?
P1 N1 C1 C2 -20.3(6) . . . . ?
C5 N2 C1 N1 179.3(3) . . . . ?
C5 N2 C1 C2 0.2(5) . . . . ?
N1 C1 C2 C3 -179.8(4) . . . . ?
N2 C1 C2 C3 -0.8(5) . . . . ?
C1 C2 C3 C4 0.2(6) . . . . ?
C2 C3 C4 C5 1.0(6) . . . . ?
C1 N2 C5 C4 1.1(6) . . . . ?
C3 C4 C5 N2 -1.6(6) . . . . ?
N1 P1 C6 C11 119.5(3) . . . . ?
C12 P1 C6 C11 -6.3(4) . . . . ?
P2 P1 C6 C11 -117.8(3) . . . . ?
N1 P1 C6 C7 -53.4(4) . . . . ?
C12 P1 C6 C7 -179.3(3) . . . . ?
P2 P1 C6 C7 69.2(3) . . . . ?
C11 C6 C7 C8 -0.5(6) . . . . ?
P1 C6 C7 C8 172.6(3) . . . . ?
C6 C7 C8 C9 0.2(6) . . . . ?
C7 C8 C9 C10 0.5(7) . . . . ?
C8 C9 C10 C11 -0.7(6) . . . . ?
C9 C10 C11 C6 0.4(6) . . . . ?
C7 C6 C11 C10 0.3(6) . . . . ?
P1 C6 C11 C10 -172.7(3) . . . . ?
N1 P1 C12 C13 -8.8(4) . . . . ?
C6 P1 C12 C13 117.8(3) . . . . ?
P2 P1 C12 C13 -127.1(3) . . . . ?
N1 P1 C12 C17 167.9(3) . . . . ?
C6 P1 C12 C17 -65.5(4) . . . . ?
P2 P1 C12 C17 49.6(3) . . . . ?
C17 C12 C13 C14 0.7(6) . . . . ?
P1 C12 C13 C14 177.4(3) . . . . ?
C12 C13 C14 C15 -0.4(6) . . . . ?
C13 C14 C15 C16 -0.1(6) . . . . ?
C14 C15 C16 C17 0.3(6) . . . . ?
C15 C16 C17 C12 0.0(6) . . . . ?
C13 C12 C17 C16 -0.5(6) . . . . ?
P1 C12 C17 C16 -177.2(3) . . . . ?
C24 P2 C18 C23 -140.1(3) . . . . ?
P1 P2 C18 C23 118.0(3) . . . . ?
C24 P2 C18 C19 43.4(4) . . . . ?
P1 P2 C18 C19 -58.4(3) . . . . ?
C23 C18 C19 C20 -0.2(6) . . . . ?
P2 C18 C19 C20 176.2(3) . . . . ?
C18 C19 C20 C21 -0.2(6) . . . . ?
C19 C20 C21 C22 0.5(6) . . . . ?
C20 C21 C22 C23 -0.5(7) . . . . ?
C19 C18 C23 C22 0.2(6) . . . . ?
P2 C18 C23 C22 -176.5(3) . . . . ?
C21 C22 C23 C18 0.2(7) . . . . ?
C18 P2 C24 C25 15.5(4) . . . . ?
P1 P2 C24 C25 117.7(4) . . . . ?
C18 P2 C24 C29 -172.3(3) . . . . ?
P1 P2 C24 C29 -70.2(3) . . . . ?
C29 C24 C25 C26 0.0(6) . . . . ?
P2 C24 C25 C26 172.2(3) . . . . ?
C24 C25 C26 C27 0.2(7) . . . . ?
C25 C26 C27 C28 0.4(7) . . . . ?
C26 C27 C28 C29 -1.3(7) . . . . ?
C27 C28 C29 C24 1.6(7) . . . . ?
C25 C24 C29 C28 -0.9(6) . . . . ?
P2 C24 C29 C28 -173.3(3) . . . . ?
