#------------------------------------------------------------------------------
#$Date: 2016-03-23 22:03:40 +0200 (Wed, 23 Mar 2016) $
#$Revision: 179465 $
#$URL: svn://www.crystallography.net/cod/cif/4/33/62/4336293.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_4336293
loop_
_publ_author_name
'Axel Schulz'
'Alexander Villinger'
'Andrea Westenkirchner'
_publ_contact_author_address
;
Universität Rostock
Institut für Chemie
Abteilung für Anorganische Chemie
Albert-Einstein-Strasse 3a 
18059 Rostock
Bundesrepublik Deutschland
;
_publ_contact_author_email
;
axel.schulz@uni-rostock.de, alexander.villinger@uni-rostock.de'
;
_publ_contact_author_fax         '+49 (0)381/498-6382'
_publ_contact_author_name        'Axel Schulz'
_publ_contact_author_phone       '+49 (0)381/498-6400'
_publ_section_title
;
 Synthesis of 1,3-Dichloro-cyclo-1,3-diphosphadiazanes from Silylated
 Amino(dichloro)phosphanes
;
_journal_name_full               'Inorganic Chemistry'
_journal_page_first              11457
_journal_page_last               11468
_journal_paper_doi               10.1021/ic4017728
_journal_volume                  52
_journal_year                    2013
_chemical_formula_moiety         'C48 H50 Cl2 N2 P2'
_chemical_formula_sum            'C48 H50 Cl2 N2 P2'
_chemical_formula_weight         787.74
_chemical_name_systematic
;
1,3-dichloro-2,4-bis(2,6-bis(2,4,6-trimethylphenyl)phenyl)-cyclo-1,3-
diphospha-2,4-diazane
;
_space_group_IT_number           43
_symmetry_cell_setting           orthorhombic
_symmetry_Int_Tables_number      43
_symmetry_space_group_name_Hall  'F 2 -2d'
_symmetry_space_group_name_H-M   'F d d 2'
_atom_sites_solution_hydrogens   geom
_atom_sites_solution_primary     direct
_atom_sites_solution_secondary   difmap
_audit_author_name               'Villinger, A.'
_audit_creation_method           SHELXL-97
_cell_angle_alpha                90.00
_cell_angle_beta                 90.00
_cell_angle_gamma                90.00
_cell_formula_units_Z            8
_cell_length_a                   21.9363(16)
_cell_length_b                   44.948(3)
_cell_length_c                   8.5007(5)
_cell_measurement_reflns_used    5185
_cell_measurement_temperature    173(2)
_cell_measurement_theta_max      57.722
_cell_measurement_theta_min      5.815
_cell_volume                     8381.6(10)
_computing_cell_refinement       'Bruker Apex V7.51A'
_computing_data_collection       'Bruker Apex V7.51A'
_computing_data_reduction        'Bruker SAINT'
_computing_molecular_graphics    'ORTEP-3v2.01 (Farrugia, 1997)'
_computing_publication_material  SHELXL-97
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 1997)'
_computing_structure_solution    'SHELXS-97 (Sheldrick, 1997)'
_diffrn_ambient_temperature      173(2)
_diffrn_measured_fraction_theta_full 0.999
_diffrn_measured_fraction_theta_max 0.999
_diffrn_measurement_device_type  'Bruker Apex Kappa II-CCD-diffractometer'
_diffrn_measurement_method       'phi and omega scans'
_diffrn_radiation_monochromator  graphite
_diffrn_radiation_source         'sealed tube'
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_reflns_av_R_equivalents  0.0560
_diffrn_reflns_av_sigmaI/netI    0.0523
_diffrn_reflns_limit_h_max       29
_diffrn_reflns_limit_h_min       -29
_diffrn_reflns_limit_k_max       59
_diffrn_reflns_limit_k_min       -61
_diffrn_reflns_limit_l_max       11
_diffrn_reflns_limit_l_min       -11
_diffrn_reflns_number            19101
_diffrn_reflns_theta_full        29.00
_diffrn_reflns_theta_max         29.00
_diffrn_reflns_theta_min         1.81
_exptl_absorpt_coefficient_mu    0.267
_exptl_absorpt_correction_T_max  0.9636
_exptl_absorpt_correction_T_min  0.9266
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   '(SADABS; Sheldrick, 2004)'
_exptl_crystal_colour            colourless
_exptl_crystal_density_diffrn    1.249
_exptl_crystal_description       block
_exptl_crystal_F_000             3328
_exptl_crystal_size_max          0.29
_exptl_crystal_size_mid          0.18
_exptl_crystal_size_min          0.14
_refine_diff_density_max         0.246
_refine_diff_density_min         -0.318
_refine_diff_density_rms         0.050
_refine_ls_abs_structure_details 'Flack H D (1983), Acta Cryst. A39, 876-881'
_refine_ls_abs_structure_Flack   0.03(10)
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.069
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     268
_refine_ls_number_reflns         5100
_refine_ls_number_restraints     1
_refine_ls_restrained_S_all      1.069
_refine_ls_R_factor_all          0.0640
_refine_ls_R_factor_gt           0.0525
_refine_ls_shift/su_max          0.001
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'calc w=1/[σ²(Fo²)+(0.0606P)²+10.8234P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1335
_refine_ls_wR_factor_ref         0.1386
_reflns_number_gt                4291
_reflns_number_total             5100
_reflns_threshold_expression     >2σ(I)
_cod_data_source_file            ic4017728_si_001_13.cif
_cod_data_source_block           is_aw143_(ternpcl)2
_cod_database_code               4336293
loop_
_symmetry_equiv_pos_as_xyz
'x, y, z'
'-x, -y, z'
'x+1/4, -y+1/4, z+1/4'
'-x+1/4, y+1/4, z+1/4'
'x, y+1/2, z+1/2'
'-x, -y+1/2, z+1/2'
'x+1/4, -y+3/4, z+3/4'
'-x+1/4, y+3/4, z+3/4'
'x+1/2, y, z+1/2'
'-x+1/2, -y, z+1/2'
'x+3/4, -y+1/4, z+3/4'
'-x+3/4, y+1/4, z+3/4'
'x+1/2, y+1/2, z'
'-x+1/2, -y+1/2, z'
'x+3/4, -y+3/4, z+1/4'
'-x+3/4, y+3/4, z+1/4'
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
Cl1 Cl 0.00714(11) 1.00791(3) -0.12663(17) 0.0524(5) Uani 0.50 1 d P
Cl2 Cl -0.00990(11) 0.99181(5) 0.50577(18) 0.0631(7) Uani 0.50 1 d P
P1 P 0.03204(6) 1.01785(3) 0.10586(16) 0.0276(3) Uani 0.50 1 d P
P2 P -0.03514(6) 0.98233(3) 0.27474(17) 0.0294(3) Uani 0.50 1 d P
N1 N -0.03688(8) 1.01717(4) 0.1890(3) 0.0254(4) Uani 1 1 d .
C17 C 0.03844(11) 1.08823(5) 0.1820(4) 0.0305(5) Uani 1 1 d .
C6 C -0.06956(10) 1.06919(5) 0.1742(3) 0.0268(5) Uani 1 1 d .
C8 C -0.17780(10) 0.98207(5) 0.1813(4) 0.0315(5) Uani 1 1 d .
C2 C -0.13948(10) 1.03165(5) 0.2739(3) 0.0292(5) Uani 1 1 d .
C1 C -0.08237(10) 1.03925(5) 0.2118(3) 0.0241(5) Uani 1 1 d .
C16 C -0.01201(11) 1.07862(5) 0.0944(3) 0.0282(5) Uani 1 1 d .
C10 C -0.20890(12) 0.94407(6) 0.3663(4) 0.0425(7) Uani 1 1 d .
C21 C -0.00924(13) 1.07901(6) -0.0708(4) 0.0409(6) Uani 1 1 d .
C19 C 0.09472(14) 1.09730(6) -0.0577(4) 0.0443(7) Uani 1 1 d .
C18 C 0.09082(12) 1.09743(6) 0.1045(4) 0.0368(6) Uani 1 1 d .
H18 H 0.1248 1.1040 0.1644 0.044 Uiso 1 1 calc R
C12 C -0.16539(12) 0.99034(6) 0.4617(3) 0.0369(6) Uani 1 1 d .
C7 C -0.15945(11) 1.00026(5) 0.3063(3) 0.0280(5) Uani 1 1 d .
C5 C -0.11311(12) 1.09083(5) 0.2093(4) 0.0388(7) Uani 1 1 d .
H5 H -0.1044 1.1111 0.1866 0.047 Uiso 1 1 calc R
C9 C -0.20205(11) 0.95425(6) 0.2129(4) 0.0398(7) Uani 1 1 d .
H9 H -0.2142 0.9419 0.1280 0.048 Uiso 1 1 calc R
C22 C 0.03644(15) 1.08854(9) 0.3592(4) 0.0518(8) Uani 1 1 d .
H22A H 0.0094 1.1045 0.3948 0.078 Uiso 1 1 calc R
H22B H 0.0776 1.0919 0.4005 0.078 Uiso 1 1 calc R
H22C H 0.0210 1.0694 0.3974 0.078 Uiso 1 1 calc R
C3 C -0.18117(12) 1.05429(6) 0.3079(4) 0.0398(7) Uani 1 1 d .
H3 H -0.2193 1.0494 0.3541 0.048 Uiso 1 1 calc R
C11 C -0.18905(13) 0.96187(7) 0.4876(4) 0.0438(7) Uani 1 1 d .
H11 H -0.1915 0.9546 0.5923 0.053 Uiso 1 1 calc R
C13 C -0.17222(14) 0.99208(7) 0.0125(4) 0.0416(6) Uani 1 1 d .
H13A H -0.1439 0.9790 -0.0434 0.062 Uiso 1 1 calc R
H13B H -0.1568 1.0125 0.0094 0.062 Uiso 1 1 calc R
H13C H -0.2123 0.9912 -0.0381 0.062 Uiso 1 1 calc R
C20 C 0.04329(16) 1.08805(7) -0.1437(4) 0.0497(8) Uani 1 1 d .
H20 H 0.0451 1.0881 -0.2554 0.060 Uiso 1 1 calc R
C4 C -0.16774(13) 1.08368(6) 0.2752(4) 0.0468(8) Uani 1 1 d .
H4 H -0.1965 1.0988 0.2987 0.056 Uiso 1 1 calc R
C24 C -0.06425(18) 1.06980(9) -0.1659(4) 0.0636(10) Uani 1 1 d .
H24A H -0.0951 1.0855 -0.1615 0.095 Uiso 1 1 calc R
H24B H -0.0812 1.0514 -0.1224 0.095 Uiso 1 1 calc R
H24C H -0.0521 1.0665 -0.2754 0.095 Uiso 1 1 calc R
C14 C -0.23857(16) 0.91418(7) 0.3994(5) 0.0635(11) Uani 1 1 d .
H14A H -0.2228 0.9062 0.4987 0.095 Uiso 1 1 calc R
H14B H -0.2292 0.9003 0.3137 0.095 Uiso 1 1 calc R
H14C H -0.2828 0.9167 0.4073 0.095 Uiso 1 1 calc R
C23 C 0.15303(16) 1.10598(9) -0.1408(5) 0.0622(10) Uani 1 1 d .
H23A H 0.1446 1.1220 -0.2160 0.093 Uiso 1 1 calc R
H23B H 0.1694 1.0887 -0.1969 0.093 Uiso 1 1 calc R
H23C H 0.1829 1.1129 -0.0632 0.093 Uiso 1 1 calc R
C15 C -0.14771(17) 1.00939(8) 0.5994(4) 0.0497(8) Uani 1 1 d .
H15A H -0.1231 1.0262 0.5626 0.075 Uiso 1 1 calc R
H15B H -0.1239 0.9975 0.6742 0.075 Uiso 1 1 calc R
H15C H -0.1845 1.0168 0.6514 0.075 Uiso 1 1 calc R
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'
Cl Cl 0.1484 0.1585 '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
Cl1 Cl1 P1 107.44(7) 2_575 .
Cl1 Cl1 P1 54.92(8) 2_575 2_575
P1 Cl1 P1 55.35(7) . 2_575
Cl2 Cl2 P2 108.12(9) 2_575 .
Cl2 Cl2 P2 52.81(6) 2_575 2_575
P2 Cl2 P2 57.12(7) . 2_575
P2 P1 N1 67.66(11) 2_575 .
P2 P1 N1 65.40(11) 2_575 2_575
N1 P1 N1 82.29(12) . 2_575
P2 P1 Cl1 162.15(11) 2_575 .
N1 P1 Cl1 99.15(12) . .
N1 P1 Cl1 101.95(10) 2_575 .
P2 P1 P1 91.55(7) 2_575 2_575
N1 P1 P1 52.36(8) . 2_575
N1 P1 P1 49.87(8) 2_575 2_575
Cl1 P1 P1 70.63(6) . 2_575
P2 P1 Cl1 145.17(10) 2_575 2_575
N1 P1 Cl1 90.87(11) . 2_575
N1 P1 Cl1 85.46(9) 2_575 2_575
Cl1 P1 Cl1 17.64(8) . 2_575
P1 P1 Cl1 54.02(5) 2_575 2_575
P2 P1 P2 58.18(9) 2_575 .
N1 P1 P2 40.78(7) . .
N1 P1 P2 41.51(7) 2_575 .
Cl1 P1 P2 103.97(8) . .
P1 P1 P2 33.48(4) 2_575 .
Cl1 P1 P2 87.50(7) 2_575 .
P1 P2 N1 65.46(11) 2_575 .
P1 P2 N1 62.52(10) 2_575 2_575
N1 P2 N1 80.30(12) . 2_575
P1 P2 Cl2 158.38(11) 2_575 .
N1 P2 Cl2 102.60(12) . .
N1 P2 Cl2 98.68(12) 2_575 .
P1 P2 P2 88.34(7) 2_575 2_575
N1 P2 P2 50.57(8) . 2_575
N1 P2 P2 50.08(8) 2_575 2_575
Cl2 P2 P2 70.63(6) . 2_575
P1 P2 Cl2 140.59(10) 2_575 2_575
N1 P2 Cl2 85.31(10) . 2_575
N1 P2 Cl2 87.94(10) 2_575 2_575
Cl2 P2 Cl2 19.07(10) . 2_575
P2 P2 Cl2 52.25(5) 2_575 2_575
P1 P2 P1 54.97(8) 2_575 .
N1 P2 P1 39.12(7) . .
N1 P2 P1 41.18(7) 2_575 .
Cl2 P2 P1 104.11(8) . .
P2 P2 P1 33.48(4) 2_575 .
Cl2 P2 P1 85.63(6) 2_575 .
C1 N1 P1 132.93(16) . .
C1 N1 P2 126.23(17) . .
P1 N1 P2 100.10(11) . .
C1 N1 P1 137.31(16) . 2_575
P1 N1 P1 77.76(11) . 2_575
P2 N1 P1 49.14(8) . 2_575
C1 N1 P2 124.85(16) . 2_575
P1 N1 P2 49.82(8) . 2_575
P2 N1 P2 79.34(11) . 2_575
P1 N1 P2 97.32(11) 2_575 2_575
C18 C17 C16 119.6(3) . .
C18 C17 C22 119.7(3) . .
C16 C17 C22 120.7(2) . .
C5 C6 C1 118.7(2) . .
C5 C6 C16 118.5(2) . .
C1 C6 C16 122.8(2) . .
C9 C8 C7 119.3(3) . .
C9 C8 C13 119.0(3) . .
C7 C8 C13 121.7(2) . .
C3 C2 C1 119.0(2) . .
C3 C2 C7 117.1(2) . .
C1 C2 C7 123.9(2) . .
C2 C1 C6 119.7(2) . .
C2 C1 N1 120.6(2) . .
C6 C1 N1 119.7(2) . .
C17 C16 C21 119.5(2) . .
C17 C16 C6 120.9(2) . .
C21 C16 C6 119.6(2) . .
C11 C10 C9 118.5(2) . .
C11 C10 C14 120.7(3) . .
C9 C10 C14 120.8(3) . .
C20 C21 C16 119.5(3) . .
C20 C21 C24 120.7(3) . .
C16 C21 C24 119.8(3) . .
C18 C19 C20 118.1(3) . .
C18 C19 C23 121.2(3) . .
C20 C19 C23 120.7(3) . .
C19 C18 C17 121.6(3) . .
C19 C18 H18 119.2 . .
C17 C18 H18 119.2 . .
C11 C12 C7 118.4(3) . .
C11 C12 C15 119.7(3) . .
C7 C12 C15 122.0(3) . .
C12 C7 C8 120.2(2) . .
C12 C7 C2 120.0(2) . .
C8 C7 C2 119.5(2) . .
C4 C5 C6 121.7(2) . .
C4 C5 H5 119.1 . .
C6 C5 H5 119.1 . .
C8 C9 C10 121.4(3) . .
C8 C9 H9 119.3 . .
C10 C9 H9 119.3 . .
C17 C22 H22A 109.5 . .
C17 C22 H22B 109.5 . .
H22A C22 H22B 109.5 . .
C17 C22 H22C 109.5 . .
H22A C22 H22C 109.5 . .
H22B C22 H22C 109.5 . .
C4 C3 C2 121.0(2) . .
C4 C3 H3 119.5 . .
C2 C3 H3 119.5 . .
C10 C11 C12 122.1(3) . .
C10 C11 H11 118.9 . .
C12 C11 H11 118.9 . .
C8 C13 H13A 109.5 . .
C8 C13 H13B 109.5 . .
H13A C13 H13B 109.5 . .
C8 C13 H13C 109.5 . .
H13A C13 H13C 109.5 . .
H13B C13 H13C 109.5 . .
C21 C20 C19 121.8(3) . .
C21 C20 H20 119.1 . .
C19 C20 H20 119.1 . .
C5 C4 C3 119.7(2) . .
C5 C4 H4 120.1 . .
C3 C4 H4 120.1 . .
C21 C24 H24A 109.5 . .
C21 C24 H24B 109.5 . .
H24A C24 H24B 109.5 . .
C21 C24 H24C 109.5 . .
H24A C24 H24C 109.5 . .
H24B C24 H24C 109.5 . .
C10 C14 H14A 109.5 . .
C10 C14 H14B 109.5 . .
H14A C14 H14B 109.5 . .
C10 C14 H14C 109.5 . .
H14A C14 H14C 109.5 . .
H14B C14 H14C 109.5 . .
C19 C23 H23A 109.5 . .
C19 C23 H23B 109.5 . .
H23A C23 H23B 109.5 . .
C19 C23 H23C 109.5 . .
H23A C23 H23C 109.5 . .
H23B C23 H23C 109.5 . .
C12 C15 H15A 109.5 . .
C12 C15 H15B 109.5 . .
H15A C15 H15B 109.5 . .
C12 C15 H15C 109.5 . .
H15A C15 H15C 109.5 . .
H15B C15 H15C 109.5 . .
loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_site_symmetry_2
Cl1 Cl1 0.777(3) 2_575
Cl1 P1 2.099(2) .
Cl1 P1 2.447(2) 2_575
Cl2 Cl2 0.855(4) 2_575
Cl2 P2 2.085(2) .
Cl2 P2 2.487(2) 2_575
P1 P2 1.4373(19) 2_575
P1 N1 1.669(2) .
P1 N1 1.729(2) 2_575
P1 P1 2.133(2) 2_575
P1 Cl1 2.447(2) 2_575
P1 P2 2.6043(16) .
P2 P1 1.4373(19) 2_575
P2 N1 1.728(2) .
P2 N1 1.740(2) 2_575
P2 P2 2.214(3) 2_575
P2 Cl2 2.487(2) 2_575
N1 C1 1.421(3) .
N1 P1 1.729(2) 2_575
N1 P2 1.740(2) 2_575
C17 C18 1.387(4) .
C17 C16 1.402(4) .
C17 C22 1.507(4) .
C6 C5 1.395(3) .
C6 C1 1.412(3) .
C6 C16 1.495(3) .
C8 C9 1.385(3) .
C8 C7 1.400(4) .
C8 C13 1.509(4) .
C2 C3 1.398(3) .
C2 C1 1.402(3) .
C2 C7 1.503(3) .
C16 C21 1.405(4) .
C10 C11 1.376(5) .
C10 C9 1.390(5) .
C10 C14 1.519(4) .
C21 C20 1.370(4) .
C21 C24 1.510(4) .
C19 C18 1.381(5) .
C19 C20 1.407(5) .
C19 C23 1.512(4) .
C18 H18 0.9500 .
C12 C11 1.398(4) .
C12 C7 1.400(4) .
C12 C15 1.502(5) .
C5 C4 1.361(4) .
C5 H5 0.9500 .
C9 H9 0.9500 .
C22 H22A 0.9800 .
C22 H22B 0.9800 .
C22 H22C 0.9800 .
C3 C4 1.381(4) .
C3 H3 0.9500 .
C11 H11 0.9500 .
C13 H13A 0.9800 .
C13 H13B 0.9800 .
C13 H13C 0.9800 .
C20 H20 0.9500 .
C4 H4 0.9500 .
C24 H24A 0.9800 .
C24 H24B 0.9800 .
C24 H24C 0.9800 .
C14 H14A 0.9800 .
C14 H14B 0.9800 .
C14 H14C 0.9800 .
C23 H23A 0.9800 .
C23 H23B 0.9800 .
C23 H23C 0.9800 .
C15 H15A 0.9800 .
C15 H15B 0.9800 .
C15 H15C 0.9800 .
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
Cl1 Cl1 P1 P2 -21.9(7) 2_575 2_575
P1 Cl1 P1 P2 -3.7(4) 2_575 2_575
Cl1 Cl1 P1 N1 -62.9(4) 2_575 .
P1 Cl1 P1 N1 -44.58(8) 2_575 .
Cl1 Cl1 P1 N1 21.1(4) 2_575 2_575
P1 Cl1 P1 N1 39.40(8) 2_575 2_575
Cl1 Cl1 P1 P1 -18.3(4) 2_575 2_575
P1 Cl1 P1 Cl1 18.3(4) 2_575 2_575
Cl1 Cl1 P1 P2 -21.5(4) 2_575 .
P1 Cl1 P1 P2 -3.20(5) 2_575 .
Cl2 Cl2 P2 P1 28.3(7) 2_575 2_575
P2 Cl2 P2 P1 14.0(3) 2_575 2_575
Cl2 Cl2 P2 N1 -25.5(4) 2_575 .
P2 Cl2 P2 N1 -39.79(8) 2_575 .
Cl2 Cl2 P2 N1 56.4(4) 2_575 2_575
P2 Cl2 P2 N1 42.12(8) 2_575 2_575
Cl2 Cl2 P2 P2 14.3(4) 2_575 2_575
P2 Cl2 P2 Cl2 -14.3(4) 2_575 2_575
Cl2 Cl2 P2 P1 14.7(4) 2_575 .
P2 Cl2 P2 P1 0.43(6) 2_575 .
P2 P1 P2 P1 -174.69(18) 2_575 2_575
N1 P1 P2 P1 93.33(16) . 2_575
N1 P1 P2 P1 -86.88(15) 2_575 2_575
Cl1 P1 P2 P1 5.47(8) . 2_575
Cl1 P1 P2 P1 -0.91(9) 2_575 2_575
P2 P1 P2 N1 91.98(15) 2_575 .
N1 P1 P2 N1 179.8(2) 2_575 .
Cl1 P1 P2 N1 -87.85(15) . .
P1 P1 P2 N1 -93.33(16) 2_575 .
Cl1 P1 P2 N1 -94.24(14) 2_575 .
P2 P1 P2 N1 -87.81(15) 2_575 2_575
N1 P1 P2 N1 -179.8(2) . 2_575
Cl1 P1 P2 N1 92.35(14) . 2_575
P1 P1 P2 N1 86.88(15) 2_575 2_575
Cl1 P1 P2 N1 85.97(13) 2_575 2_575
P2 P1 P2 Cl2 -0.74(10) 2_575 .
N1 P1 P2 Cl2 -92.72(15) . .
N1 P1 P2 Cl2 87.08(15) 2_575 .
Cl1 P1 P2 Cl2 179.43(12) . .
P1 P1 P2 Cl2 173.95(14) 2_575 .
Cl1 P1 P2 Cl2 173.05(10) 2_575 .
N1 P1 P2 P2 -91.98(15) . 2_575
N1 P1 P2 P2 87.81(15) 2_575 2_575
Cl1 P1 P2 P2 -179.83(13) . 2_575
P1 P1 P2 P2 174.69(18) 2_575 2_575
Cl1 P1 P2 P2 173.79(12) 2_575 2_575
P2 P1 P2 Cl2 4.05(9) 2_575 2_575
N1 P1 P2 Cl2 -87.93(14) . 2_575
N1 P1 P2 Cl2 91.86(14) 2_575 2_575
Cl1 P1 P2 Cl2 -175.79(10) . 2_575
P1 P1 P2 Cl2 178.74(13) 2_575 2_575
Cl1 P1 P2 Cl2 177.83(10) 2_575 2_575
P2 P1 N1 C1 103.6(2) 2_575 .
N1 P1 N1 C1 170.2(2) 2_575 .
Cl1 P1 N1 C1 -88.9(2) . .
P1 P1 N1 C1 -145.6(3) 2_575 .
Cl1 P1 N1 C1 -104.6(2) 2_575 .
P2 P1 N1 C1 170.3(3) . .
P2 P1 N1 P2 -66.65(13) 2_575 .
N1 P1 N1 P2 -0.14(15) 2_575 .
Cl1 P1 N1 P2 100.81(11) . .
P1 P1 N1 P2 44.07(8) 2_575 .
Cl1 P1 N1 P2 85.16(11) 2_575 .
P2 P1 N1 P1 -110.72(11) 2_575 2_575
N1 P1 N1 P1 -44.20(13) 2_575 2_575
Cl1 P1 N1 P1 56.74(9) . 2_575
Cl1 P1 N1 P1 41.09(8) 2_575 2_575
P2 P1 N1 P1 -44.07(8) . 2_575
N1 P1 N1 P2 66.51(10) 2_575 2_575
Cl1 P1 N1 P2 167.46(11) . 2_575
P1 P1 N1 P2 110.72(11) 2_575 2_575
Cl1 P1 N1 P2 151.81(10) 2_575 2_575
P2 P1 N1 P2 66.65(13) . 2_575
P1 P2 N1 C1 124.8(2) 2_575 .
N1 P2 N1 C1 -171.06(19) 2_575 .
Cl2 P2 N1 C1 -74.2(2) . .
P2 P2 N1 C1 -125.7(2) 2_575 .
Cl2 P2 N1 C1 -82.3(2) 2_575 .
P1 P2 N1 C1 -171.2(3) . .
P1 P2 N1 P1 -63.98(13) 2_575 .
N1 P2 N1 P1 0.14(15) 2_575 .
Cl2 P2 N1 P1 96.95(13) . .
P2 P2 N1 P1 45.54(8) 2_575 .
Cl2 P2 N1 P1 88.84(12) 2_575 .
N1 P2 N1 P1 64.12(9) 2_575 2_575
Cl2 P2 N1 P1 160.93(12) . 2_575
P2 P2 N1 P1 109.52(12) 2_575 2_575
Cl2 P2 N1 P1 152.82(11) 2_575 2_575
P1 P2 N1 P1 63.98(13) . 2_575
P1 P2 N1 P2 -109.52(12) 2_575 2_575
N1 P2 N1 P2 -45.40(14) 2_575 2_575
Cl2 P2 N1 P2 51.41(11) . 2_575
Cl2 P2 N1 P2 43.30(9) 2_575 2_575
P1 P2 N1 P2 -45.54(8) . 2_575
C3 C2 C1 C6 -4.5(4) . .
C7 C2 C1 C6 175.2(2) . .
C3 C2 C1 N1 174.4(2) . .
C7 C2 C1 N1 -6.0(4) . .
C5 C6 C1 C2 3.9(4) . .
C16 C6 C1 C2 -174.4(2) . .
C5 C6 C1 N1 -174.9(2) . .
C16 C6 C1 N1 6.8(4) . .
P1 N1 C1 C2 174.0(2) . .
P2 N1 C1 C2 -17.9(3) . .
P1 N1 C1 C2 48.5(4) 2_575 .
P2 N1 C1 C2 -121.2(2) 2_575 .
P1 N1 C1 C6 -7.1(4) . .
P2 N1 C1 C6 161.0(2) . .
P1 N1 C1 C6 -132.7(2) 2_575 .
P2 N1 C1 C6 57.7(3) 2_575 .
C18 C17 C16 C21 -1.3(4) . .
C22 C17 C16 C21 179.0(3) . .
C18 C17 C16 C6 -178.7(2) . .
C22 C17 C16 C6 1.6(4) . .
C5 C6 C16 C17 87.5(3) . .
C1 C6 C16 C17 -94.2(3) . .
C5 C6 C16 C21 -89.9(3) . .
C1 C6 C16 C21 88.4(3) . .
C17 C16 C21 C20 1.7(4) . .
C6 C16 C21 C20 179.1(3) . .
C17 C16 C21 C24 -177.7(3) . .
C6 C16 C21 C24 -0.2(4) . .
C20 C19 C18 C17 1.2(4) . .
C23 C19 C18 C17 -177.0(3) . .
C16 C17 C18 C19 -0.2(4) . .
C22 C17 C18 C19 179.5(3) . .
C11 C12 C7 C8 1.0(4) . .
C15 C12 C7 C8 -178.5(3) . .
C11 C12 C7 C2 174.6(2) . .
C15 C12 C7 C2 -4.9(4) . .
C9 C8 C7 C12 0.2(3) . .
C13 C8 C7 C12 179.8(3) . .
C9 C8 C7 C2 -173.4(2) . .
C13 C8 C7 C2 6.2(3) . .
C3 C2 C7 C12 -71.0(3) . .
C1 C2 C7 C12 109.3(3) . .
C3 C2 C7 C8 102.6(3) . .
C1 C2 C7 C8 -77.0(3) . .
C1 C6 C5 C4 -1.5(5) . .
C16 C6 C5 C4 176.9(3) . .
C7 C8 C9 C10 0.4(4) . .
C13 C8 C9 C10 -179.2(3) . .
C11 C10 C9 C8 -2.2(4) . .
C14 C10 C9 C8 176.8(3) . .
C1 C2 C3 C4 2.6(4) . .
C7 C2 C3 C4 -177.1(3) . .
C9 C10 C11 C12 3.5(4) . .
C14 C10 C11 C12 -175.5(3) . .
C7 C12 C11 C10 -2.9(4) . .
C15 C12 C11 C10 176.6(3) . .
C16 C21 C20 C19 -0.6(5) . .
C24 C21 C20 C19 178.7(3) . .
C18 C19 C20 C21 -0.8(5) . .
C23 C19 C20 C21 177.5(3) . .
C6 C5 C4 C3 -0.4(5) . .
C2 C3 C4 C5 -0.1(5) . .
