#------------------------------------------------------------------------------
#$Date: 2019-11-17 10:48:12 +0200 (Sun, 17 Nov 2019) $
#$Revision: 229426 $
#$URL: file:///home/coder/svn-repositories/cod/cif/7/04/72/7047224.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_7047224
loop_
_publ_author_name
'Otang, Mathew E.'
'Josephson, David'
'Duppong, Todd'
'Stahl, Lothar'
_publ_section_title
;
 The chameleonic reactivity of dilithio
 bis(alkylamido)cyclodiphosph(iii)azanes with chlorophosphines.
;
_journal_issue                   33
_journal_name_full
'Dalton transactions (Cambridge, England : 2003)'
_journal_page_first              11625
_journal_page_last               11635
_journal_paper_doi               10.1039/c8dt02087f
_journal_volume                  47
_journal_year                    2018
_chemical_formula_moiety         'C40 H55.82 N4 P4'
_chemical_formula_sum            'C40 H56 N4 P4'
_chemical_formula_weight         716.79
_chemical_melting_point          419
_chemical_properties_physical    Air-sensitive,Moisture-sensitive
_space_group_crystal_system      monoclinic
_space_group_IT_number           15
_space_group_name_Hall           '-C 2yc'
_space_group_name_H-M_alt        'C 1 2/c 1'
_symmetry_space_group_name_Hall  '-C 2yc'
_symmetry_space_group_name_H-M   'C 1 2/c 1'
_atom_sites_solution_hydrogens   geom
_atom_sites_solution_primary     dual
_audit_creation_method
;
Olex2 1.2
(compiled 2018.04.26 svn.r3504 for OlexSys, GUI svn.r5492)
;
_audit_update_record
;
2018-05-14 deposited with the CCDC.
2018-08-07 downloaded from the CCDC.
;
_cell_angle_alpha                90
_cell_angle_beta                 105.2670(10)
_cell_angle_gamma                90
_cell_formula_units_Z            4
_cell_length_a                   16.9400(3)
_cell_length_b                   9.8845(2)
_cell_length_c                   24.8587(5)
_cell_measurement_reflns_used    9578
_cell_measurement_temperature    100.0
_cell_measurement_theta_max      40.64
_cell_measurement_theta_min      2.41
_cell_volume                     4015.53(14)
_computing_molecular_graphics    'Olex2 (Dolomanov et al., 2009)'
_computing_publication_material  'Olex2 (Dolomanov et al., 2009)'
_computing_structure_refinement  'XL (Sheldrick, 2008)'
_computing_structure_solution    'XT (Sheldrick, 2015)'
_diffrn_ambient_temperature      100.0
_diffrn_measured_fraction_theta_full 0.999
_diffrn_measured_fraction_theta_max 1.000
_diffrn_measurement_device_type  'CCD area detector'
_diffrn_measurement_method       'phi and omega scans'
_diffrn_radiation_monochromator  graphite
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_reflns_av_R_equivalents  0.0389
_diffrn_reflns_av_unetI/netI     0.0210
_diffrn_reflns_Laue_measured_fraction_full 0.999
_diffrn_reflns_Laue_measured_fraction_max 1.000
_diffrn_reflns_limit_h_max       29
_diffrn_reflns_limit_h_min       -29
_diffrn_reflns_limit_k_max       17
_diffrn_reflns_limit_k_min       -17
_diffrn_reflns_limit_l_max       43
_diffrn_reflns_limit_l_min       -43
_diffrn_reflns_number            95036
_diffrn_reflns_point_group_measured_fraction_full 0.999
_diffrn_reflns_point_group_measured_fraction_max 1.000
_diffrn_reflns_theta_full        25.242
_diffrn_reflns_theta_max         38.567
_diffrn_reflns_theta_min         2.408
_exptl_absorpt_coefficient_mu    0.229
_exptl_absorpt_correction_T_max  0.7480
_exptl_absorpt_correction_T_min  0.6744
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   SADABS
_exptl_crystal_colour            'clear light colourless'
_exptl_crystal_colour_lustre     clear
_exptl_crystal_colour_modifier   light
_exptl_crystal_colour_primary    colourless
_exptl_crystal_density_diffrn    1.185
_exptl_crystal_description       rhombus
_exptl_crystal_F_000             1535
_exptl_crystal_recrystallization_method
'Re-crystallisation from solvent: toluene'
_exptl_crystal_size_max          0.68
_exptl_crystal_size_mid          0.68
_exptl_crystal_size_min          0.39
_refine_diff_density_max         1.837
_refine_diff_density_min         -0.914
_refine_diff_density_rms         0.079
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.087
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     232
_refine_ls_number_reflns         11350
_refine_ls_number_restraints     186
_refine_ls_restrained_S_all      1.078
_refine_ls_R_factor_all          0.0651
_refine_ls_R_factor_gt           0.0569
_refine_ls_shift/su_max          0.001
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'w=1/[σ²(Fo²)+(0.0511P)²+6.3337P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1385
_refine_ls_wR_factor_ref         0.1443
_reflns_Friedel_coverage         0.000
_reflns_number_gt                9880
_reflns_number_total             11350
_reflns_threshold_expression     'I > 2σ(I)'
_cod_data_source_file            c8dt02087f2.cif
_cod_data_source_block           mat35_0
_cod_depositor_comments
'Adding full bibliography for 7047223--7047227.cif.'
_cod_database_code               7047224
_shelx_shelxl_version_number     2014/7
_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.
;
_olex2_refinement_description
;
1. Fixed Uiso
 At 1.2 times of:
  All C(H) groups
 At 1.5 times of:
  All C(H,H,H) groups
2. Uiso/Uaniso restraints and constraints
C1A \\sim C1B \\sim C2A \\sim C2B \\sim C3A \\sim C3B \\sim C4B \\sim C4A \\sim
C5A \\sim C5B \\sim C6A \\sim C6B: within 2A with sigma of 0.04 and sigma for
terminal atoms of 0.08
Uanis(C6B) = Uanis(C5B) = Uanis(C4B) = Uanis(C3B) = Uanis(C2B) = Uanis(C1B) =
Uanis(C1A) = Uanis(C2A) = Uanis(C3A) = Uanis(C4A) = Uanis(C5A) = Uanis(C6A)
Uanis(C6A) = Uanis(C1A) = Uanis(C2A) = Uanis(C3A) = Uanis(C4A) = Uanis(C5A)
3. Others
 Sof(P1B)=1-FVAR(1)
 Sof(P1A)=FVAR(1)
 Sof(P2B)=1-FVAR(2)
 Sof(P2A)=Sof(H19)=FVAR(2)
 Sof(C5B)=Sof(H5B)=Sof(C6B)=Sof(C4B)=Sof(H4B)=Sof(C3B)=Sof(H3B)=Sof(C1B)=
 Sof(H1B)=Sof(C2B)=Sof(H2B)=1-FVAR(3)
 Sof(C6A)=Sof(H6A)=Sof(C1A)=Sof(C2A)=Sof(H2A)=Sof(C3A)=Sof(H3A)=Sof(C4A)=
 Sof(H4A)=Sof(C5A)=Sof(H5A)=FVAR(3)
4.a Aromatic/amide H refined with riding coordinates:
 C19(H19), C6A(H6A), C2A(H2A), C3A(H3A), C4A(H4A), C18(H18), C5A(H5A),
 C16(H16), C15(H15), C17(H17), C5B(H5B), C4B(H4B), C3B(H3B), C1B(H1B), C2B(H2B)
4.b Idealised Me refined as rotating group:
 C13(H13A,H13B,H13C), C12(H12A,H12B,H12C), C11(H11A,H11B,H11C), C22(H22A,H22B,
 H22C), C21(H21A,H21B,H21C), C23(H23A,H23B,H23C)
;
_olex2_submission_special_instructions 'No special instructions were received'
loop_
_space_group_symop_operation_xyz
'x, y, z'
'-x, y, -z+1/2'
'x+1/2, y+1/2, z'
'-x+1/2, y+1/2, -z+1/2'
'-x, -y, -z'
'x, -y, z-1/2'
'-x+1/2, -y+1/2, -z'
'x+1/2, -y+1/2, z-1/2'
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
P1A P 0.52172(2) 0.76699(13) 0.30373(2) 0.01220(14) Uani 0.906(6) 1 d . . P A 1
P2A P 0.53093(2) 0.55498(3) 0.33533(2) 0.01494(7) Uani 0.9102(14) 1 d . . P A 1
N1 N 0.43381(5) 0.77166(9) 0.25059(3) 0.01387(12) Uani 1 1 d . . . . .
N2 N 0.54290(6) 0.86017(10) 0.35438(4) 0.01971(16) Uani 1 1 d . . . . .
C19 C 0.48554(7) 0.64986(13) 0.43243(5) 0.02299(19) Uani 1 1 d . . . . .
H19 H 0.5279 0.7152 0.4367 0.028 Uiso 0.9102(14) 1 calc R . P A 1
C10 C 0.34661(6) 0.76040(12) 0.25116(4) 0.01776(16) Uani 1 1 d . . . . .
C6A C 0.68131(8) 0.63944(14) 0.41541(5) 0.02074(10) Uani 0.9191(15) 1 d . U P A
1
H6A H 0.6590 0.7273 0.4162 0.025 Uiso 0.9191(15) 1 calc R . P A 1
C1A C 0.63545(7) 0.53907(13) 0.38134(5) 0.02074(10) Uani 0.9191(15) 1 d . U P A
1
C2A C 0.66929(7) 0.40984(13) 0.38192(5) 0.02074(10) Uani 0.9191(15) 1 d . U P A
1
H2A H 0.6387 0.3410 0.3589 0.025 Uiso 0.9191(15) 1 calc R . P A 1
C14 C 0.47200(7) 0.56037(12) 0.38807(5) 0.02087(18) Uani 1 1 d . . . . .
C13 C 0.31782(7) 0.61406(14) 0.24517(5) 0.0259(2) Uani 1 1 d . . . . .
H13A H 0.3216 0.5786 0.2091 0.039 Uiso 1 1 calc GR . . . .
H13B H 0.2609 0.6095 0.2472 0.039 Uiso 1 1 calc GR . . . .
H13C H 0.3524 0.5598 0.2753 0.039 Uiso 1 1 calc GR . . . .
C20 C 0.54436(7) 1.00177(12) 0.37058(5) 0.02175(18) Uani 1 1 d . . . . .
C3A C 0.74697(8) 0.38032(13) 0.41561(5) 0.02074(10) Uani 0.9191(15) 1 d . U P A
1
H3A H 0.7686 0.2915 0.4162 0.025 Uiso 0.9191(15) 1 calc R . P A 1
C12 C 0.33586(7) 0.81798(15) 0.30599(5) 0.0247(2) Uani 1 1 d . . . . .
H12A H 0.3697 0.7664 0.3374 0.037 Uiso 1 1 calc GR . . . .
H12B H 0.2783 0.8113 0.3063 0.037 Uiso 1 1 calc GR . . . .
H12C H 0.3528 0.9131 0.3094 0.037 Uiso 1 1 calc GR . . . .
C11 C 0.29474(7) 0.84421(15) 0.20303(5) 0.0256(2) Uani 1 1 d . . . . .
H11A H 0.3133 0.9385 0.2070 0.038 Uiso 1 1 calc GR . . . .
H11B H 0.2372 0.8399 0.2037 0.038 Uiso 1 1 calc GR . . . .
H11C H 0.3005 0.8079 0.1676 0.038 Uiso 1 1 calc GR . . . .
C4A C 0.79282(7) 0.48141(14) 0.44842(5) 0.02074(10) Uani 0.9191(15) 1 d . U P A
1
H4A H 0.8464 0.4625 0.4708 0.025 Uiso 0.9191(15) 1 calc R . P A 1
C22 C 0.63282(8) 1.04066(13) 0.39987(5) 0.0260(2) Uani 1 1 d . . . . .
H22A H 0.6558 0.9746 0.4292 0.039 Uiso 1 1 calc GR . . . .
H22B H 0.6338 1.1308 0.4164 0.039 Uiso 1 1 calc GR . . . .
H22C H 0.6655 1.0414 0.3727 0.039 Uiso 1 1 calc GR . . . .
C18 C 0.43900(8) 0.64673(15) 0.47085(5) 0.0274(2) Uani 1 1 d . . . . .
H18 H 0.4492 0.7098 0.5007 0.033 Uiso 1 1 calc R . . . .
C5A C 0.75986(7) 0.61044(13) 0.44828(5) 0.02074(10) Uani 0.9191(15) 1 d . U P A
1
H5A H 0.7911 0.6794 0.4708 0.025 Uiso 0.9191(15) 1 calc R . P A 1
C16 C 0.36388(9) 0.45724(18) 0.42146(7) 0.0345(3) Uani 1 1 d . . . . .
H16 H 0.3226 0.3902 0.4176 0.041 Uiso 1 1 calc R . . . .
C15 C 0.41132(8) 0.46243(15) 0.38338(6) 0.0270(2) Uani 1 1 d . . . . .
H15 H 0.4022 0.3984 0.3539 0.032 Uiso 1 1 calc R . . . .
C17 C 0.37677(9) 0.54987(18) 0.46524(7) 0.0346(3) Uani 1 1 d . . . . .
H17 H 0.3439 0.5474 0.4909 0.042 Uiso 1 1 calc R . . . .
C21 C 0.51180(10) 1.09841(14) 0.32170(6) 0.0322(3) Uani 1 1 d . . . . .
H21A H 0.5453 1.0906 0.2952 0.048 Uiso 1 1 calc GR . . . .
H21B H 0.5142 1.1915 0.3356 0.048 Uiso 1 1 calc GR . . . .
H21C H 0.4550 1.0751 0.3030 0.048 Uiso 1 1 calc GR . . . .
C23 C 0.49247(10) 1.01684(16) 0.41240(6) 0.0321(3) Uani 1 1 d . . . . .
H23A H 0.4364 0.9870 0.3950 0.048 Uiso 1 1 calc GR . . . .
H23B H 0.4919 1.1119 0.4235 0.048 Uiso 1 1 calc GR . . . .
H23C H 0.5160 0.9613 0.4454 0.048 Uiso 1 1 calc GR . . . .
P1B P 0.5206(2) 0.7160(17) 0.30281(15) 0.0172(16) Uani 0.094(6) 1 d . . P A 2
P2B P 0.5710(2) 0.7310(4) 0.42362(13) 0.0188(7) Uani 0.0898(14) 1 d . . P A 2
C5B C 0.7302(8) 0.6593(15) 0.4355(6) 0.02074(10) Uani 0.0809(15) 1 d . U P A 2
H5B H 0.7373 0.7532 0.4434 0.025 Uiso 0.0809(15) 1 calc R . P A 2
C6B C 0.6511(9) 0.6097(16) 0.4182(6) 0.02074(10) Uani 0.0809(15) 1 d . U P A 2
C4B C 0.7974(8) 0.5828(15) 0.4418(6) 0.02074(10) Uani 0.0809(15) 1 d . U P A 2
H4B H 0.8506 0.6213 0.4529 0.025 Uiso 0.0809(15) 1 calc R . P A 2
C3B C 0.7858(8) 0.4430(16) 0.4312(6) 0.02074(10) Uani 0.0809(15) 1 d . U P A 2
H3B H 0.8319 0.3844 0.4404 0.025 Uiso 0.0809(15) 1 calc R . P A 2
C1B C 0.6479(8) 0.4735(15) 0.4059(6) 0.02074(10) Uani 0.0809(15) 1 d . U P A 2
H1B H 0.5951 0.4338 0.3943 0.025 Uiso 0.0809(15) 1 calc R . P A 2
C2B C 0.7123(9) 0.3912(15) 0.4089(6) 0.02074(10) Uani 0.0809(15) 1 d . U P A 2
H2B H 0.7054 0.3008 0.3956 0.025 Uiso 0.0809(15) 1 calc R . P 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'
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
P2A P1A P1A 109.856(18) . 2_655
N1 P1A P1A 41.15(3) 2_655 2_655
N1 P1A P1A 41.15(3) . 2_655
N1 P1A P2A 107.39(6) 2_655 .
N1 P1A P2A 105.26(6) . .
N1 P1A N1 82.22(4) 2_655 .
N2 P1A P1A 142.83(5) . 2_655
N2 P1A P2A 107.31(5) . .
N2 P1A N1 125.35(8) . 2_655
N2 P1A N1 126.07(7) . .
C1A P2A P1A 105.39(4) . .
C1A P2A C14 99.93(5) . .
C14 P2A P1A 102.85(4) . .
P1A N1 P1A 97.70(4) 2_655 .
C10 N1 P1A 131.01(7) . .
C10 N1 P1A 130.62(7) . 2_655
C10 N1 P1B 127.5(2) . 2_655
C10 N1 P1B 127.2(2) . .
P1B N1 P1B 90.6(4) . 2_655
C20 N2 P1A 142.47(9) . .
C20 N2 P1B 154.2(3) . .
C20 N2 P2B 112.04(11) . .
P1B N2 P2B 93.4(4) . .
C14 C19 H19 119.1 . .
C14 C19 C18 121.87(12) . .
C14 C19 P2B 99.50(13) . .
C18 C19 H19 119.1 . .
C18 C19 P2B 138.36(15) . .
N1 C10 C13 111.37(9) . .
N1 C10 C12 109.41(8) . .
N1 C10 C11 108.68(9) . .
C13 C10 C12 109.29(10) . .
C13 C10 C11 109.59(10) . .
C11 C10 C12 108.46(9) . .
C1A C6A H6A 120.0 . .
C5A C6A H6A 120.0 . .
C5A C6A C1A 120.03(12) . .
C6A C1A P2A 127.16(10) . .
C2A C1A P2A 114.09(9) . .
C2A C1A C6A 118.73(11) . .
C1A C2A H2A 119.4 . .
C3A C2A C1A 121.17(12) . .
C3A C2A H2A 119.4 . .
C19 C14 P2A 125.23(9) . .
C19 C14 C15 118.28(11) . .
C15 C14 P2A 116.44(10) . .
C10 C13 H13A 109.5 . .
C10 C13 H13B 109.5 . .
C10 C13 H13C 109.5 . .
H13A C13 H13B 109.5 . .
H13A C13 H13C 109.5 . .
H13B C13 H13C 109.5 . .
N2 C20 C22 108.42(10) . .
N2 C20 C21 113.86(10) . .
N2 C20 C23 108.05(10) . .
C22 C20 C23 108.44(10) . .
C21 C20 C22 108.89(11) . .
C21 C20 C23 109.05(12) . .
C2A C3A H3A 120.1 . .
C4A C3A C2A 119.72(12) . .
C4A C3A H3A 120.1 . .
C10 C12 H12A 109.5 . .
C10 C12 H12B 109.5 . .
C10 C12 H12C 109.5 . .
H12A C12 H12B 109.5 . .
H12A C12 H12C 109.5 . .
H12B C12 H12C 109.5 . .
C10 C11 H11A 109.5 . .
C10 C11 H11B 109.5 . .
C10 C11 H11C 109.5 . .
H11A C11 H11B 109.5 . .
H11A C11 H11C 109.5 . .
H11B C11 H11C 109.5 . .
C3A C4A H4A 120.2 . .
C3A C4A C5A 119.69(11) . .
C5A C4A H4A 120.2 . .
C20 C22 H22A 109.5 . .
C20 C22 H22B 109.5 . .
C20 C22 H22C 109.5 . .
H22A C22 H22B 109.5 . .
H22A C22 H22C 109.5 . .
H22B C22 H22C 109.5 . .
C19 C18 H18 120.2 . .
C19 C18 C17 119.62(14) . .
C17 C18 H18 120.2 . .
C6A C5A H5A 119.7 . .
C4A C5A C6A 120.64(12) . .
C4A C5A H5A 119.7 . .
C15 C16 H16 119.8 . .
C15 C16 C17 120.38(13) . .
C17 C16 H16 119.8 . .
C14 C15 H15 119.6 . .
C16 C15 C14 120.84(14) . .
C16 C15 H15 119.6 . .
C18 C17 H17 120.5 . .
C16 C17 C18 118.97(12) . .
C16 C17 H17 120.5 . .
C20 C21 H21A 109.5 . .
C20 C21 H21B 109.5 . .
C20 C21 H21C 109.5 . .
H21A C21 H21B 109.5 . .
H21A C21 H21C 109.5 . .
H21B C21 H21C 109.5 . .
C20 C23 H23A 109.5 . .
C20 C23 H23B 109.5 . .
C20 C23 H23C 109.5 . .
H23A C23 H23B 109.5 . .
H23A C23 H23C 109.5 . .
H23B C23 H23C 109.5 . .
N1 P1B N1 78.4(3) . 2_655
N1 P1B N2 102.9(7) 2_655 .
N1 P1B N2 104.0(7) . .
N1 P1B P1B 45.0(2) . 2_655
N1 P1B P1B 44.42(19) 2_655 2_655
N2 P1B P1B 130.9(3) . 2_655
C19 P2B N2 111.89(17) . .
C19 P2B C6B 111.5(5) . .
C6B P2B N2 110.4(5) . .
C6B C5B H5B 118.0 . .
C4B C5B H5B 118.0 . .
C4B C5B C6B 124.0(14) . .
C5B C6B P2B 114.7(11) . .
C1B C6B P2B 131.6(12) . .
C1B C6B C5B 113.2(13) . .
C5B C4B H4B 121.4 . .
C5B C4B C3B 117.3(13) . .
C3B C4B H4B 121.4 . .
C4B C3B H3B 119.2 . .
C2B C3B C4B 121.7(13) . .
C2B C3B H3B 119.2 . .
C6B C1B H1B 116.8 . .
C2B C1B C6B 126.4(14) . .
C2B C1B H1B 116.8 . .
C3B C2B C1B 116.6(15) . .
C3B C2B H2B 121.7 . .
C1B C2B H2B 121.7 . .
loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_site_symmetry_2
P1A P1A 2.5771(7) 2_655
P1A P2A 2.2290(12) .
P1A N1 1.7114(9) .
P1A N1 1.7114(9) 2_655
P1A N2 1.5245(13) .
P2A C1A 1.8443(12) .
P2A C14 1.8458(12) .
N1 P1A 1.7113(9) 2_655
N1 C10 1.4851(12) .
N1 P1B 1.773(6) .
N1 P1B 1.790(6) 2_655
N2 C20 1.4548(15) .
N2 P1B 1.887(13) .
N2 P2B 2.095(4) .
C19 H19 0.9500 .
C19 C14 1.3850(18) .
C19 C18 1.3897(17) .
C19 P2B 1.718(4) .
C10 C13 1.5213(17) .
C10 C12 1.5316(15) .
C10 C11 1.5286(15) .
C6A H6A 0.9500 .
C6A C1A 1.3994(18) .
C6A C5A 1.3958(17) .
C1A C2A 1.3985(18) .
C2A H2A 0.9500 .
C2A C3A 1.3921(17) .
C14 C15 1.3945(17) .
C13 H13A 0.9800 .
C13 H13B 0.9800 .
C13 H13C 0.9800 .
C20 C22 1.5326(17) .
C20 C21 1.5298(18) .
C20 C23 1.5352(18) .
C3A H3A 0.9500 .
C3A C4A 1.3904(19) .
C12 H12A 0.9800 .
C12 H12B 0.9800 .
C12 H12C 0.9800 .
C11 H11A 0.9800 .
C11 H11B 0.9800 .
C11 H11C 0.9800 .
C4A H4A 0.9500 .
C4A C5A 1.3919(19) .
C22 H22A 0.9800 .
C22 H22B 0.9800 .
C22 H22C 0.9800 .
C18 H18 0.9500 .
C18 C17 1.404(2) .
C5A H5A 0.9500 .
C16 H16 0.9500 .
C16 C15 1.395(2) .
C16 C17 1.395(3) .
C15 H15 0.9500 .
C17 H17 0.9500 .
C21 H21A 0.9800 .
C21 H21B 0.9800 .
C21 H21C 0.9800 .
C23 H23A 0.9800 .
C23 H23B 0.9800 .
C23 H23C 0.9800 .
P1B N1 1.790(6) 2_655
P1B P1B 2.533(7) 2_655
P2B C6B 1.843(15) .
C5B H5B 0.9500 .
C5B C6B 1.38(2) .
C5B C4B 1.341(19) .
C6B C1B 1.38(2) .
C4B H4B 0.9500 .
C4B C3B 1.41(2) .
C3B H3B 0.9500 .
C3B C2B 1.33(2) .
C1B H1B 0.9500 .
C1B C2B 1.35(2) .
C2B H2B 0.9500 .
