#------------------------------------------------------------------------------
#$Date: 2022-02-04 21:48:05 +0200 (Fri, 04 Feb 2022) $
#$Revision: 272694 $
#$URL: file:///home/coder/svn-repositories/cod/cif/7/70/92/7709272.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_7709272
loop_
_publ_author_name
'Zhao, Minggang'
'Xue, Tingting'
'He, Ru-Ru'
'Ma, Jianping'
'Zheng, Wenjun'
_publ_section_title
;
 Ion-bearing stairs: alkali metal complexes of 1,2-diaza-4-phospholides.
;
_journal_issue                   4
_journal_name_full
'Dalton transactions (Cambridge, England : 2003)'
_journal_page_first              1634
_journal_page_last               1645
_journal_paper_doi               10.1039/d1dt03601g
_journal_volume                  51
_journal_year                    2022
_chemical_formula_moiety         'C36 H36 K2 N4 O2 P2'
_chemical_formula_sum            'C36 H36 K2 N4 O2 P2'
_chemical_formula_weight         696.83
_space_group_crystal_system      triclinic
_space_group_IT_number           2
_space_group_name_Hall           '-P 1'
_space_group_name_H-M_alt        'P -1'
_atom_sites_solution_hydrogens   geom
_atom_sites_solution_primary     iterative
_audit_creation_date             2021-04-29
_audit_creation_method
;
Olex2 1.2
(compiled 2018.05.29 svn.r3508 for OlexSys, GUI svn.r5506)
;
_audit_update_record
;
2021-05-24 deposited with the CCDC.	2021-12-14 downloaded from the CCDC.
;
_cell_angle_alpha                112.737(4)
_cell_angle_beta                 108.856(4)
_cell_angle_gamma                101.438(4)
_cell_formula_units_Z            2
_cell_length_a                   12.4944(5)
_cell_length_b                   12.9078(6)
_cell_length_c                   13.8901(6)
_cell_measurement_reflns_used    4621
_cell_measurement_temperature    293(2)
_cell_measurement_theta_max      25.2450
_cell_measurement_theta_min      3.0760
_cell_volume                     1816.16(18)
_computing_cell_refinement
;
CrysAlisPro, Agilent Technologies,
Version 1.171.37.33 (release 27-03-2014 CrysAlis171 .NET)
(compiled Mar 27 2014,17:12:48)
;
_computing_data_collection
;
CrysAlisPro, Agilent Technologies,
Version 1.171.37.33 (release 27-03-2014 CrysAlis171 .NET)
(compiled Mar 27 2014,17:12:48)
;
_computing_data_reduction
;
CrysAlisPro, Agilent Technologies,
Version 1.171.37.33 (release 27-03-2014 CrysAlis171 .NET)
(compiled Mar 27 2014,17:12:48)
;
_computing_molecular_graphics    'Olex2 (Dolomanov et al., 2009)'
_computing_publication_material  'Olex2 (Dolomanov et al., 2009)'
_computing_structure_refinement  'ShelXL (Sheldrick, 2015)'
_computing_structure_solution
;
Superflip (Palatinus & Chapuis, 2007;Palatinus & van der Lee, 2008;
Palatinus et al., 2012)
;
_diffrn_ambient_temperature      293(2)
_diffrn_detector                 'CCD plate'
_diffrn_detector_area_resol_mean 16.0251
_diffrn_detector_type            Eos
_diffrn_measured_fraction_theta_full 0.999
_diffrn_measured_fraction_theta_max 0.999
_diffrn_measurement_details
;
#__ type_ start__ end____ width___ exp.time_
  1 omega  -11.00   83.00   1.0000   10.3600
omega____ theta____ kappa____ phi______ frames
    -       15.6827   77.0000  150.0000 94

#__ type_ start__ end____ width___ exp.time_
  2 omega  -52.00   42.00   1.0000   10.3600
omega____ theta____ kappa____ phi______ frames
    -       15.6827  -77.0000   30.0000 94

#__ type_ start__ end____ width___ exp.time_
  3 omega   -1.00   83.00   1.0000   10.3600
omega____ theta____ kappa____ phi______ frames
    -       15.6827   57.0000   30.0000 84

#__ type_ start__ end____ width___ exp.time_
  4 omega  -54.00   35.00   1.0000   10.3600
omega____ theta____ kappa____ phi______ frames
    -       15.6827  -37.0000 -120.0000 89

#__ type_ start__ end____ width___ exp.time_
  5 omega  -44.00   50.00   1.0000   10.3600
omega____ theta____ kappa____ phi______ frames
    -      -17.0890   77.0000 -120.0000 94

#__ type_ start__ end____ width___ exp.time_
  6 omega  -25.00   22.00   1.0000   10.3600
omega____ theta____ kappa____ phi______ frames
    -      -17.0890  -99.0000   30.0000 47

#__ type_ start__ end____ width___ exp.time_
  7 omega  -36.00   46.00   1.0000   10.3600
omega____ theta____ kappa____ phi______ frames
    -      -17.0890   37.0000  150.0000 82
;
_diffrn_measurement_device       'four-circle diffractometer'
_diffrn_measurement_device_type  'Xcalibur, Eos'
_diffrn_measurement_method       'ω scans'
_diffrn_orient_matrix_UB_11      0.0453362000
_diffrn_orient_matrix_UB_12      0.0214557000
_diffrn_orient_matrix_UB_13      0.0570210000
_diffrn_orient_matrix_UB_21      0.0384809000
_diffrn_orient_matrix_UB_22      0.0426324000
_diffrn_orient_matrix_UB_23      -0.0064559000
_diffrn_orient_matrix_UB_31      -0.0251873000
_diffrn_orient_matrix_UB_32      0.0428514000
_diffrn_orient_matrix_UB_33      0.0227622000
_diffrn_radiation_monochromator  graphite
_diffrn_radiation_probe          x-ray
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_reflns_av_R_equivalents  0.0286
_diffrn_reflns_av_unetI/netI     0.0423
_diffrn_reflns_Laue_measured_fraction_full 0.999
_diffrn_reflns_Laue_measured_fraction_max 0.999
_diffrn_reflns_limit_h_max       14
_diffrn_reflns_limit_h_min       -15
_diffrn_reflns_limit_k_max       16
_diffrn_reflns_limit_k_min       -16
_diffrn_reflns_limit_l_max       17
_diffrn_reflns_limit_l_min       -17
_diffrn_reflns_number            22239
_diffrn_reflns_point_group_measured_fraction_full 0.999
_diffrn_reflns_point_group_measured_fraction_max 0.999
_diffrn_reflns_theta_full        25.214
_diffrn_reflns_theta_max         26.343
_diffrn_reflns_theta_min         3.057
_diffrn_source                   'Enhance (Mo) X-ray Source'
_exptl_absorpt_coefficient_mu    0.385
_exptl_absorpt_correction_T_max  1.00000
_exptl_absorpt_correction_T_min  0.69828
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details
;
CrysAlisPro, Agilent Technologies,
Version 1.171.37.33 (release 27-03-2014 CrysAlis171 .NET)
(compiled Mar 27 2014,17:12:48)
Empirical absorption correction using spherical harmonics,
 implemented in SCALE3 ABSPACK scaling algorithm.
;
_exptl_crystal_colour            colourless
_exptl_crystal_density_diffrn    1.274
_exptl_crystal_description       block
_exptl_crystal_F_000             728
_exptl_crystal_size_max          0.22
_exptl_crystal_size_mid          0.1
_exptl_crystal_size_min          0.07
_refine_diff_density_max         0.324
_refine_diff_density_min         -0.239
_refine_diff_density_rms         0.043
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.039
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     415
_refine_ls_number_reflns         7433
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      1.039
_refine_ls_R_factor_all          0.0957
_refine_ls_R_factor_gt           0.0565
_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)+(0.0760P)²+0.4230P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1428
_refine_ls_wR_factor_ref         0.1642
_reflns_Friedel_coverage         0.000
_reflns_number_gt                4737
_reflns_number_total             7433
_reflns_threshold_expression     'I > 2σ(I)'
_cod_data_source_file            d1dt03601g2.cif
_cod_data_source_block           141224-1o
_cod_depositor_comments
'Adding full bibliography for 7709271--7709278.cif.'
_cod_original_cell_volume        1816.17(16)
_cod_database_code               7709272
_shelxl_version_number           2014-1
_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.
;
_shelx_estimated_absorpt_t_max   0.974
_shelx_estimated_absorpt_t_min   0.920
_reflns_odcompleteness_completeness 99.88
_reflns_odcompleteness_iscentric 1
_reflns_odcompleteness_theta     26.32
_olex2_refinement_description
;
1. Fixed Uiso
 At 1.2 times of:
  All C(H) groups, All C(H,H) groups
2.a Secondary CH2 refined with riding coordinates:
 C35(H35A,H35B), C36(H36A,H36B), C34(H34A,H34B), C33(H33A,H33B), C32(H32A,
 H32B), C29(H29A,H29B), C30(H30A,H30B), C31(H31A,H31B)
2.b Aromatic/amide H refined with riding coordinates:
 C16(H16), C17(H17), C27(H27), C12(H12), C11(H11), C4(H4), C5(H5), C10(H10),
 C25(H25), C19(H19), C26(H26), C18(H18), C3(H3), C2(H2), C28(H28), C24(H24),
 C1(H1), C13(H13), C15(H15), C14(H14)
;
_olex2_submission_special_instructions 'No special instructions were received'
loop_
_space_group_symop_operation_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_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
P2 P 0.16037(8) 0.46992(8) 0.46733(8) 0.0680(3) Uani 1 1 d . . . . .
P1 P 0.81928(8) 1.04836(8) 1.00817(8) 0.0728(3) Uani 1 1 d . . . . .
O2 O 0.2480(3) 0.3637(3) 0.1738(3) 0.1134(10) Uani 1 1 d . . . . .
C16 C 0.3538(5) 0.2918(4) 0.7347(4) 0.1036(14) Uani 1 1 d . . . . .
H16 H 0.4222 0.2843 0.7798 0.124 Uiso 1 1 calc R . . . .
C17 C 0.2423(6) 0.2299(4) 0.7181(5) 0.1106(17) Uani 1 1 d . . . . .
H17 H 0.2343 0.1800 0.7510 0.133 Uiso 1 1 calc R . . . .
C27 C 0.3381(4) 0.7551(4) 0.3210(4) 0.0940(12) Uani 1 1 d . . . . .
H27 H 0.4036 0.7925 0.3126 0.113 Uiso 1 1 calc R . . . .
C12 C 0.6800(5) 1.0582(4) 1.3479(4) 0.0915(12) Uani 1 1 d . . . . .
H12 H 0.6764 1.0752 1.4180 0.110 Uiso 1 1 calc R . . . .
C35 C 0.1807(7) 0.2929(6) -0.0223(5) 0.154(2) Uani 1 1 d . . . . .
H35A H 0.1873 0.3249 -0.0738 0.185 Uiso 1 1 calc R . . . .
H35B H 0.1673 0.2076 -0.0601 0.185 Uiso 1 1 calc R . . . .
N4 N 0.3880(2) 0.5868(2) 0.5304(2) 0.0524(6) Uani 1 1 d . . . . .
C11 C 0.7867(4) 1.1064(4) 1.3474(3) 0.0928(12) Uani 1 1 d . . . . .
H11 H 0.8556 1.1579 1.4178 0.111 Uiso 1 1 calc R . . . .
C4 C 0.9070(4) 0.9834(4) 0.6910(4) 0.0903(12) Uani 1 1 d . . . . .
H4 H 0.9874 1.0056 0.7023 0.108 Uiso 1 1 calc R . . . .
C5 C 0.8803(3) 0.9812(3) 0.7805(3) 0.0757(9) Uani 1 1 d . . . . .
H5 H 0.9429 1.0015 0.8511 0.091 Uiso 1 1 calc R . . . .
N3 N 0.3909(2) 0.5205(2) 0.5877(2) 0.0532(6) Uani 1 1 d . . . . .
C10 C 0.7949(3) 1.0801(3) 1.2435(3) 0.0779(10) Uani 1 1 d . . . . .
H10 H 0.8690 1.1134 1.2451 0.094 Uiso 1 1 calc R . . . .
C25 C 0.1342(4) 0.7068(4) 0.2851(4) 0.0947(13) Uani 1 1 d . . . . .
H25 H 0.0585 0.7103 0.2512 0.114 Uiso 1 1 calc R . . . .
C36 C 0.2917(5) 0.3608(6) 0.0923(6) 0.143(2) Uani 1 1 d . . . . .
H36A H 0.3488 0.3196 0.0932 0.171 Uiso 1 1 calc R . . . .
H36B H 0.3320 0.4421 0.1082 0.171 Uiso 1 1 calc R . . . .
C19 C 0.1555(4) 0.3141(3) 0.6031(4) 0.0844(11) Uani 1 1 d . . . . .
H19 H 0.0864 0.3202 0.5576 0.101 Uiso 1 1 calc R . . . .
C26 C 0.2280(5) 0.7614(4) 0.2714(4) 0.0923(12) Uani 1 1 d . . . . .
H26 H 0.2175 0.8024 0.2290 0.111 Uiso 1 1 calc R . . . .
C22 C 0.2744(2) 0.5708(2) 0.4647(2) 0.0519(7) Uani 1 1 d . . . . .
C34 C 0.0840(5) 0.3128(6) 0.0097(5) 0.151(2) Uani 1 1 d . . . . .
H34A H 0.0684 0.3812 0.0035 0.181 Uiso 1 1 calc R . . . .
H34B H 0.0095 0.2418 -0.0405 0.181 Uiso 1 1 calc R . . . .
N2 N 0.6065(2) 0.8866(2) 0.9272(2) 0.0614(6) Uani 1 1 d . . . . .
C18 C 0.1424(5) 0.2413(4) 0.6527(5) 0.1073(15) Uani 1 1 d . . . . .
H18 H 0.0656 0.2003 0.6416 0.129 Uiso 1 1 calc R . . . .
C3 C 0.8155(5) 0.9532(4) 0.5868(4) 0.0911(12) Uani 1 1 d . . . . .
H3 H 0.8340 0.9562 0.5280 0.109 Uiso 1 1 calc R . . . .
C23 C 0.2590(3) 0.6371(3) 0.3982(2) 0.0560(7) Uani 1 1 d . . . . .
C6 C 0.7612(3) 0.9488(2) 0.7647(3) 0.0565(7) Uani 1 1 d . . . . .
C2 C 0.6981(4) 0.9189(3) 0.5692(3) 0.0808(10) Uani 1 1 d . . . . .
H2 H 0.6359 0.8962 0.4975 0.097 Uiso 1 1 calc R . . . .
C28 C 0.3538(3) 0.6934(3) 0.3843(3) 0.0771(10) Uani 1 1 d . . . . .
H28 H 0.4299 0.6902 0.4178 0.093 Uiso 1 1 calc R . . . .
C24 C 0.1479(3) 0.6459(3) 0.3482(3) 0.0778(10) Uani 1 1 d . . . . .
H24 H 0.0821 0.6105 0.3573 0.093 Uiso 1 1 calc R . . . .
C9 C 0.6926(3) 1.0041(3) 1.1373(3) 0.0607(8) Uani 1 1 d . . . . .
N1 N 0.6243(2) 0.8718(2) 0.8322(2) 0.0598(6) Uani 1 1 d . . . . .
C8 C 0.6996(3) 0.9754(2) 1.0260(3) 0.0566(7) Uani 1 1 d . . . . .
C1 C 0.6705(3) 0.9175(3) 0.6573(3) 0.0689(9) Uani 1 1 d . . . . .
H1 H 0.5897 0.8951 0.6446 0.083 Uiso 1 1 calc R . . . .
C13 C 0.5770(4) 0.9838(3) 1.2438(4) 0.0824(11) Uani 1 1 d . . . . .
H13 H 0.5032 0.9514 1.2433 0.099 Uiso 1 1 calc R . . . .
C21 C 0.2796(3) 0.4546(3) 0.5638(2) 0.0545(7) Uani 1 1 d . . . . .
C20 C 0.2671(3) 0.3779(3) 0.6185(3) 0.0621(8) Uani 1 1 d . . . . .
C15 C 0.3677(4) 0.3659(3) 0.6859(3) 0.0815(10) Uani 1 1 d . . . . .
H15 H 0.4449 0.4077 0.6985 0.098 Uiso 1 1 calc R . . . .
C7 C 0.7313(3) 0.9500(2) 0.8599(3) 0.0555(7) Uani 1 1 d . . . . .
C33 C 0.1261(5) 0.3359(7) 0.1252(5) 0.170(3) Uani 1 1 d . . . . .
H33A H 0.1072 0.4026 0.1694 0.205 Uiso 1 1 calc R . . . .
H33B H 0.0853 0.2652 0.1274 0.205 Uiso 1 1 calc R . . . .
C14 C 0.5840(3) 0.9576(3) 1.1399(3) 0.0692(9) Uani 1 1 d . . . . .
H14 H 0.5141 0.9076 1.0701 0.083 Uiso 1 1 calc R . . . .
K1 K 0.37961(6) 0.75141(6) 0.74506(6) 0.0595(2) Uani 1 1 d . . . . .
O1 O 0.3015(3) 0.6542(3) 0.8537(3) 0.1096(10) Uani 1 1 d . . . . .
C32 C 0.1804(5) 0.6183(5) 0.8361(5) 0.1283(18) Uani 1 1 d . . . . .
H32A H 0.1313 0.5426 0.7642 0.154 Uiso 1 1 calc R . . . .
H32B H 0.1475 0.6790 0.8310 0.154 Uiso 1 1 calc R . . . .
C29 C 0.3697(5) 0.6292(5) 0.9374(5) 0.1246(17) Uani 1 1 d . . . . .
H29A H 0.4520 0.6891 0.9839 0.149 Uiso 1 1 calc R . . . .
H29B H 0.3732 0.5497 0.9013 0.149 Uiso 1 1 calc R . . . .
C30 C 0.3043(7) 0.6343(8) 1.0084(6) 0.186(3) Uani 1 1 d . . . . .
H30A H 0.3111 0.5768 1.0367 0.224 Uiso 1 1 calc R . . . .
H30B H 0.3370 0.7147 1.0746 0.224 Uiso 1 1 calc R . . . .
C31 C 0.1787(7) 0.6040(7) 0.9327(7) 0.185(3) Uani 1 1 d . . . . .
H31A H 0.1301 0.5213 0.9067 0.222 Uiso 1 1 calc R . . . .
H31B H 0.1448 0.6576 0.9730 0.222 Uiso 1 1 calc R . . . .
K2 K 0.36470(6) 0.34370(6) 0.35351(6) 0.0604(2) 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'
K K 0.2009 0.2494 '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'
O O 0.0106 0.0060 '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
C22 P2 C21 86.07(14) . . ?
C22 P2 K1 61.44(9) . . ?
C22 P2 K2 63.60(9) . . ?
C21 P2 K1 63.44(9) . . ?
C21 P2 K2 63.11(9) . . ?
K2 P2 K1 102.89(2) . . ?
C7 P1 C8 86.00(15) . . ?
C36 O2 K2 122.9(3) . . ?
C33 O2 C36 109.4(4) . . ?
C33 O2 K2 124.0(4) . . ?
C17 C16 H16 119.4 . . ?
C17 C16 C15 121.2(5) . . ?
C15 C16 H16 119.4 . . ?
C16 C17 H17 120.3 . . ?
C16 C17 C18 119.4(4) . . ?
C18 C17 H17 120.3 . . ?
C26 C27 H27 119.6 . . ?
C26 C27 C28 120.7(4) . . ?
C28 C27 H27 119.6 . . ?
C11 C12 H12 120.2 . . ?
C11 C12 C13 119.6(4) . . ?
C11 C12 K1 78.9(2) . 2_677 ?
C13 C12 H12 120.2 . . ?
C13 C12 K1 77.8(2) . 2_677 ?
K1 C12 H12 113.7 2_677 . ?
H35A C35 H35B 109.1 . . ?
C36 C35 H35A 111.2 . . ?
C36 C35 H35B 111.2 . . ?
C34 C35 H35A 111.2 . . ?
C34 C35 H35B 111.2 . . ?
C34 C35 C36 103.0(5) . . ?
N3 N4 K1 78.07(14) . . ?
N3 N4 K2 76.84(14) . . ?
N3 N4 K2 80.99(14) . 2_666 ?
C22 N4 N3 112.5(2) . . ?
C22 N4 K1 91.30(16) . . ?
C22 N4 K2 91.54(16) . . ?
C22 N4 K2 166.5(2) . 2_666 ?
K1 N4 K2 153.86(9) . . ?
K2 N4 K1 91.23(7) 2_666 . ?
K2 N4 K2 92.01(7) 2_666 . ?
C12 C11 H11 119.4 . . ?
C12 C11 C10 121.2(4) . . ?
C12 C11 K1 77.3(2) . 2_677 ?
C10 C11 H11 119.4 . . ?
C10 C11 K1 80.4(2) . 2_677 ?
K1 C11 H11 113.2 2_677 . ?
C5 C4 H4 119.8 . . ?
C3 C4 H4 119.8 . . ?
C3 C4 C5 120.4(4) . . ?
C4 C5 H5 119.9 . . ?
C6 C5 C4 120.2(4) . . ?
C6 C5 H5 119.9 . . ?
N4 N3 K1 75.33(14) . . ?
N4 N3 K2 76.95(14) . . ?
N4 N3 K2 70.77(14) . 2_666 ?
C21 N3 N4 112.3(2) . . ?
C21 N3 K1 92.81(16) . . ?
C21 N3 K2 90.96(16) . . ?
C21 N3 K2 176.9(2) . 2_666 ?
K1 N3 K2 151.33(9) . . ?
K2 N3 K1 88.13(7) 2_666 . ?
K2 N3 K2 89.61(6) 2_666 . ?
C11 C10 H10 119.8 . . ?
C11 C10 K1 75.6(2) . 2_677 ?
C9 C10 C11 120.3(4) . . ?
C9 C10 H10 119.8 . . ?
C9 C10 K1 79.27(19) . 2_677 ?
K1 C10 H10 115.9 2_677 . ?
C26 C25 H25 119.2 . . ?
C26 C25 C24 121.6(4) . . ?
C24 C25 H25 119.2 . . ?
O2 C36 C35 104.7(4) . . ?
O2 C36 H36A 110.8 . . ?
O2 C36 H36B 110.8 . . ?
C35 C36 H36A 110.8 . . ?
C35 C36 H36B 110.8 . . ?
H36A C36 H36B 108.9 . . ?
C18 C19 H19 118.9 . . ?
C20 C19 H19 118.9 . . ?
C20 C19 C18 122.3(4) . . ?
C27 C26 H26 120.7 . . ?
C25 C26 C27 118.6(4) . . ?
C25 C26 H26 120.7 . . ?
P2 C22 K1 90.66(11) . . ?
P2 C22 K2 88.47(11) . . ?
N4 C22 P2 114.6(2) . . ?
N4 C22 C23 117.7(3) . . ?
N4 C22 K1 64.64(14) . . ?
N4 C22 K2 64.88(14) . . ?
C23 C22 P2 127.7(2) . . ?
C23 C22 K1 111.91(17) . . ?
C23 C22 K2 112.54(17) . . ?
K1 C22 K2 123.62(9) . . ?
C35 C34 H34A 110.7 . . ?
C35 C34 H34B 110.7 . . ?
H34A C34 H34B 108.8 . . ?
C33 C34 C35 105.4(5) . . ?
C33 C34 H34A 110.7 . . ?
C33 C34 H34B 110.7 . . ?
N1 N2 K1 75.84(15) . . ?
C8 N2 N1 112.7(2) . . ?
C8 N2 K1 162.3(2) . . ?
C17 C18 C19 119.6(5) . . ?
C17 C18 H18 120.2 . . ?
C19 C18 H18 120.2 . . ?
C4 C3 H3 120.0 . . ?
C2 C3 C4 120.1(4) . . ?
C2 C3 H3 120.0 . . ?
C28 C23 C22 121.6(3) . . ?
C28 C23 C24 117.3(3) . . ?
C24 C23 C22 121.1(3) . . ?
C5 C6 C1 117.8(3) . . ?
C5 C6 C7 121.1(3) . . ?
C5 C6 K2 110.1(2) . 2_666 ?
C1 C6 C7 121.0(3) . . ?
C1 C6 K2 77.35(18) . 2_666 ?
C7 C6 K2 84.10(16) . 2_666 ?
C3 C2 H2 119.9 . . ?
C3 C2 C1 120.2(4) . . ?
C1 C2 H2 119.9 . . ?
C27 C28 H28 119.5 . . ?
C23 C28 C27 121.1(4) . . ?
C23 C28 H28 119.5 . . ?
C25 C24 C23 120.6(4) . . ?
C25 C24 H24 119.7 . . ?
C23 C24 H24 119.7 . . ?
C10 C9 C8 121.0(3) . . ?
C10 C9 K1 76.99(19) . 2_677 ?
C8 C9 K1 116.86(18) . 2_677 ?
C14 C9 C10 117.5(3) . . ?
C14 C9 C8 121.5(3) . . ?
C14 C9 K1 75.32(17) . 2_677 ?
N2 N1 K1 75.47(15) . . ?
N2 N1 K2 131.44(18) . 2_666 ?
C7 N1 N2 112.3(2) . . ?
C7 N1 K1 162.6(2) . . ?
C7 N1 K2 95.50(17) . 2_666 ?
K1 N1 K2 89.76(7) . 2_666 ?
N2 C8 P1 114.4(2) . . ?
N2 C8 C9 119.0(3) . . ?
C9 C8 P1 126.6(2) . . ?
C6 C1 H1 119.3 . . ?
C6 C1 K2 77.97(18) . 2_666 ?
C2 C1 C6 121.3(3) . . ?
C2 C1 H1 119.3 . . ?
C2 C1 K2 110.2(2) . 2_666 ?
K2 C1 H1 82.0 2_666 . ?
C12 C13 H13 120.2 . . ?
C12 C13 C14 119.7(4) . . ?
C12 C13 K1 78.0(2) . 2_677 ?
C14 C13 H13 120.2 . . ?
C14 C13 K1 79.63(19) . 2_677 ?
K1 C13 H13 112.7 2_677 . ?
P2 C21 K1 88.54(11) . . ?
P2 C21 K2 88.83(11) . . ?
N3 C21 P2 114.6(2) . . ?
N3 C21 C20 119.0(3) . . ?
N3 C21 K1 63.69(14) . . ?
N3 C21 K2 65.41(14) . . ?
C20 C21 P2 126.4(2) . . ?
C20 C21 K1 114.61(18) . . ?
C20 C21 K2 112.82(18) . . ?
K2 C21 K1 122.16(9) . . ?
C19 C20 C21 121.7(3) . . ?
C19 C20 C15 117.2(3) . . ?
C15 C20 C21 121.1(3) . . ?
C16 C15 H15 119.9 . . ?
C20 C15 C16 120.2(4) . . ?
C20 C15 H15 119.9 . . ?
P1 C7 K2 143.18(14) . 2_666 ?
C6 C7 P1 126.7(2) . . ?
C6 C7 K2 70.51(15) . 2_666 ?
N1 C7 P1 114.6(2) . . ?
N1 C7 C6 118.6(3) . . ?
N1 C7 K2 61.72(15) . 2_666 ?
O2 C33 C34 110.3(5) . . ?
O2 C33 H33A 109.6 . . ?
O2 C33 H33B 109.6 . . ?
O2 C33 K2 37.5(2) . . ?
C34 C33 H33A 109.6 . . ?
C34 C33 H33B 109.6 . . ?
C34 C33 K2 143.7(4) . . ?
H33A C33 H33B 108.1 . . ?
K2 C33 H33A 100.1 . . ?
K2 C33 H33B 79.1 . . ?
C9 C14 H14 119.1 . . ?
C9 C14 K1 80.86(17) . 2_677 ?
C13 C14 C9 121.7(4) . . ?
C13 C14 H14 119.1 . . ?
C13 C14 K1 76.20(19) . 2_677 ?
K1 C14 H14 114.1 2_677 . ?
C12 K1 C11 23.77(10) 2_677 2_677 ?
C12 K1 C10 42.17(10) 2_677 2_677 ?
C12 K1 C21 122.05(10) 2_677 . ?
C12 K1 C14 42.34(9) 2_677 2_677 ?
N4 K1 C12 94.21(9) . 2_677 ?
N4 K1 C11 102.36(9) . 2_677 ?
N4 K1 N3 26.60(6) . . ?
N4 K1 C10 125.16(8) . 2_677 ?
N4 K1 C22 24.05(6) . . ?
N4 K1 C13 107.47(8) . 2_677 ?
N4 K1 C21 41.22(7) . . ?
N4 K1 C14 131.60(8) . 2_677 ?
C11 K1 C10 24.04(9) 2_677 2_677 ?
C11 K1 C21 114.85(9) 2_677 . ?
C11 K1 C14 48.69(10) 2_677 2_677 ?
N3 K1 C12 120.39(9) . 2_677 ?
N3 K1 C11 124.15(9) . 2_677 ?
N3 K1 C10 142.43(8) . 2_677 ?
N3 K1 C22 41.75(7) . . ?
N3 K1 C13 133.43(8) . 2_677 ?
N3 K1 C21 23.50(6) . . ?
N3 K1 C14 156.98(8) . 2_677 ?
C22 K1 C12 81.35(9) . 2_677 ?
C22 K1 C11 82.51(9) . 2_677 ?
C22 K1 C10 103.18(8) . 2_677 ?
C22 K1 C13 101.28(9) . 2_677 ?
C22 K1 C21 42.31(7) . . ?
C22 K1 C14 123.56(8) . 2_677 ?
N2 K1 C12 102.54(11) . 2_677 ?
N2 K1 N4 112.15(7) . . ?
N2 K1 C11 118.41(10) . 2_677 ?
N2 K1 N3 107.20(7) . . ?
N2 K1 C10 109.33(8) . 2_677 ?
N2 K1 C22 134.86(7) . . ?
N2 K1 N1 28.69(7) . . ?
N2 K1 C13 78.74(10) . 2_677 ?
N2 K1 C21 124.96(8) . . ?
N2 K1 C14 70.53(9) . 2_677 ?
N1 K1 C12 90.55(11) . 2_677 ?
N1 K1 N4 87.48(7) . . ?
N1 K1 C11 112.96(11) . 2_677 ?
N1 K1 N3 91.88(7) . . ?
N1 K1 C10 116.78(9) . 2_677 ?
N1 K1 C22 107.78(7) . . ?
N1 K1 C13 71.46(10) . 2_677 ?
N1 K1 C21 114.74(7) . . ?
N1 K1 C14 75.57(8) . 2_677 ?
C13 K1 C12 24.22(10) 2_677 2_677 ?
C13 K1 C11 42.06(11) 2_677 2_677 ?
C13 K1 C10 49.00(10) 2_677 2_677 ?
C13 K1 C21 143.57(9) 2_677 . ?
C13 K1 C14 24.17(8) 2_677 2_677 ?
C21 K1 C10 125.13(8) . 2_677 ?
C14 K1 C10 41.58(9) 2_677 2_677 ?
C14 K1 C21 163.36(9) 2_677 . ?
O1 K1 C12 135.79(12) . 2_677 ?
O1 K1 N4 117.19(9) . . ?
O1 K1 C11 113.75(12) . 2_677 ?
O1 K1 N3 92.35(9) . . ?
O1 K1 C10 93.68(10) . 2_677 ?
O1 K1 C22 114.71(9) . . ?
O1 K1 N2 93.82(10) . . ?
O1 K1 N1 119.29(10) . . ?
O1 K1 C13 133.96(10) . 2_677 ?
O1 K1 C21 76.66(9) . . ?
O1 K1 C14 110.59(10) . 2_677 ?
C32 O1 K1 124.1(3) . . ?
C29 O1 K1 127.1(3) . . ?
C29 O1 C32 108.9(4) . . ?
O1 C32 H32A 110.2 . . ?
O1 C32 H32B 110.2 . . ?
O1 C32 C31 107.7(5) . . ?
H32A C32 H32B 108.5 . . ?
C31 C32 H32A 110.2 . . ?
C31 C32 H32B 110.2 . . ?
O1 C29 H29A 110.9 . . ?
O1 C29 H29B 110.9 . . ?
O1 C29 C30 104.0(5) . . ?
H29A C29 H29B 109.0 . . ?
C30 C29 H29A 110.9 . . ?
C30 C29 H29B 110.9 . . ?
C29 C30 H30A 110.6 . . ?
C29 C30 H30B 110.6 . . ?
H30A C30 H30B 108.7 . . ?
C31 C30 C29 105.7(6) . . ?
C31 C30 H30A 110.6 . . ?
C31 C30 H30B 110.6 . . ?
C32 C31 C30 105.8(5) . . ?
C32 C31 H31A 110.6 . . ?
C32 C31 H31B 110.6 . . ?
C30 C31 H31A 110.6 . . ?
C30 C31 H31B 110.6 . . ?
H31A C31 H31B 108.7 . . ?
O2 K2 N4 126.63(10) . 2_666 ?
O2 K2 N4 94.98(9) . . ?
O2 K2 N3 118.06(9) . . ?
O2 K2 N3 99.52(10) . 2_666 ?
O2 K2 C22 77.06(9) . . ?
O2 K2 C6 97.58(10) . 2_666 ?
O2 K2 N1 81.40(9) . 2_666 ?
O2 K2 C1 122.04(10) . 2_666 ?
O2 K2 C21 112.45(9) . . ?
O2 K2 C7 80.90(9) . 2_666 ?
O2 K2 C33 18.56(13) . . ?
N4 K2 N4 87.99(7) 2_666 . ?
N4 K2 N3 83.91(7) 2_666 . ?
N4 K2 N3 28.24(7) 2_666 2_666 ?
N4 K2 C22 110.94(7) 2_666 . ?
N4 K2 C22 23.58(6) . . ?
N4 K2 C6 109.11(8) 2_666 2_666 ?
N4 K2 C6 145.79(7) . 2_666 ?
N4 K2 N1 86.00(7) 2_666 2_666 ?
N4 K2 N1 169.10(7) . 2_666 ?
N4 K2 C1 89.69(8) 2_666 2_666 ?
N4 K2 C1 134.16(8) . 2_666 ?
N4 K2 C21 104.24(7) 2_666 . ?
N4 K2 C21 41.09(7) . . ?
N4 K2 C7 166.75(7) . 2_666 ?
N4 K2 C7 104.61(7) 2_666 2_666 ?
N4 K2 C33 145.09(13) 2_666 . ?
N4 K2 C33 92.72(13) . . ?
N3 K2 N4 26.21(6) . . ?
N3 K2 N4 81.81(6) 2_666 . ?
N3 K2 N3 90.39(7) 2_666 . ?
N3 K2 C22 99.77(7) 2_666 . ?
N3 K2 C22 41.06(7) . . ?
N3 K2 C6 123.84(7) . 2_666 ?
N3 K2 C6 126.77(7) 2_666 2_666 ?
N3 K2 N1 160.38(7) . 2_666 ?
N3 K2 N1 88.63(7) 2_666 2_666 ?
N3 K2 C1 113.75(8) 2_666 2_666 ?
N3 K2 C1 108.11(8) . 2_666 ?
N3 K2 C21 113.99(7) 2_666 . ?
N3 K2 C21 23.63(6) . . ?
N3 K2 C7 111.24(7) 2_666 2_666 ?
N3 K2 C7 149.22(7) . 2_666 ?
N3 K2 C33 110.65(12) . . ?
N3 K2 C33 117.49(13) 2_666 . ?
C22 K2 C7 144.42(7) . 2_666 ?
C22 K2 C33 70.91(12) . . ?
C6 K2 C22 133.19(7) 2_666 . ?
C6 K2 C21 104.89(8) 2_666 . ?
C6 K2 C7 25.38(7) 2_666 2_666 ?
C6 K2 C33 89.35(14) 2_666 . ?
N1 K2 C22 157.88(7) 2_666 . ?
N1 K2 C6 45.11(7) 2_666 2_666 ?
N1 K2 C1 54.97(8) 2_666 2_666 ?
N1 K2 C21 149.64(7) 2_666 . ?
N1 K2 C7 22.78(6) 2_666 2_666 ?
N1 K2 C33 87.04(12) 2_666 . ?
C1 K2 C22 135.61(8) 2_666 . ?
C1 K2 C6 24.68(8) 2_666 2_666 ?
C1 K2 C21 95.99(8) 2_666 . ?
C1 K2 C7 43.80(8) 2_666 2_666 ?
C1 K2 C33 113.66(15) 2_666 . ?
C21 K2 C22 42.00(7) . . ?
C21 K2 C7 129.21(7) . 2_666 ?
C21 K2 C33 98.90(11) . . ?
C7 K2 C33 79.34(13) 2_666 . ?
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
P2 C22 1.749(3) . ?
P2 C21 1.757(3) . ?
P2 K1 3.7382(12) . ?
P2 K2 3.7335(11) . ?
P1 C8 1.745(3) . ?
P1 C7 1.739(3) . ?
O2 C36 1.399(6) . ?
O2 C33 1.355(5) . ?
O2 K2 2.591(3) . ?
C16 H16 0.9300 . ?
C16 C17 1.356(6) . ?
C16 C15 1.385(5) . ?
C17 H17 0.9300 . ?
C17 C18 1.360(7) . ?
C27 H27 0.9300 . ?
C27 C26 1.359(6) . ?
C27 C28 1.392(5) . ?
C12 H12 0.9300 . ?
C12 C11 1.359(6) . ?
C12 C13 1.380(6) . ?
C12 K1 3.289(4) 2_677 ?
C35 H35A 0.9700 . ?
C35 H35B 0.9700 . ?
C35 C36 1.496(7) . ?
C35 C34 1.451(7) . ?
N4 N3 1.374(3) . ?
N4 C22 1.339(3) . ?
N4 K1 2.968(2) . ?
N4 K2 2.741(2) 2_666 ?
N4 K2 3.030(2) . ?
C11 H11 0.9300 . ?
C11 C10 1.392(5) . ?
C11 K1 3.309(4) 2_677 ?
C4 H4 0.9300 . ?
C4 C5 1.397(5) . ?
C4 C3 1.367(6) . ?
C5 H5 0.9300 . ?
C5 C6 1.381(4) . ?
N3 C21 1.335(3) . ?
N3 K1 3.002(2) . ?
N3 K2 3.029(2) . ?
N3 K2 2.867(2) 2_666 ?
C10 H10 0.9300 . ?
C10 C9 1.392(5) . ?
C10 K1 3.369(4) 2_677 ?
C25 H25 0.9300 . ?
C25 C26 1.352(6) . ?
C25 C24 1.379(5) . ?
C36 H36A 0.9700 . ?
C36 H36B 0.9700 . ?
C19 H19 0.9300 . ?
C19 C18 1.377(6) . ?
C19 C20 1.373(5) . ?
C26 H26 0.9300 . ?
C22 C23 1.479(4) . ?
C22 K1 3.284(3) . ?
C22 K2 3.345(3) . ?
C34 H34A 0.9700 . ?
C34 H34B 0.9700 . ?
C34 C33 1.401(7) . ?
N2 N1 1.356(3) . ?
N2 C8 1.332(4) . ?
N2 K1 2.733(3) . ?
C18 H18 0.9300 . ?
C3 H3 0.9300 . ?
C3 C2 1.355(5) . ?
C23 C28 1.372(4) . ?
C23 C24 1.386(4) . ?
C6 C1 1.390(4) . ?
C6 C7 1.481(4) . ?
C6 K2 3.257(3) 2_666 ?
C2 H2 0.9300 . ?
C2 C1 1.380(5) . ?
C28 H28 0.9300 . ?
C24 H24 0.9300 . ?
C9 C8 1.480(4) . ?
C9 C14 1.389(5) . ?
C9 K1 3.397(3) 2_677 ?
N1 C7 1.337(4) . ?
N1 K1 2.738(3) . ?
N1 K2 3.040(2) 2_666 ?
C1 H1 0.9300 . ?
C1 K2 3.249(3) 2_666 ?
C13 H13 0.9300 . ?
C13 C14 1.385(5) . ?
C13 K1 3.286(3) 2_677 ?
C21 C20 1.476(4) . ?
C21 K1 3.345(3) . ?
C21 K2 3.331(3) . ?
C20 C15 1.381(5) . ?
C15 H15 0.9300 . ?
C7 K2 3.436(3) 2_666 ?
C33 H33A 0.9700 . ?
C33 H33B 0.9700 . ?
C33 K2 3.532(5) . ?
C14 H14 0.9300 . ?
C14 K1 3.329(3) 2_677 ?
K1 C12 3.289(4) 2_677 ?
K1 C11 3.309(4) 2_677 ?
K1 C10 3.369(4) 2_677 ?
K1 C13 3.286(3) 2_677 ?
K1 C14 3.329(3) 2_677 ?
K1 O1 2.596(3) . ?
O1 C32 1.399(5) . ?
O1 C29 1.393(6) . ?
C32 H32A 0.9700 . ?
C32 H32B 0.9700 . ?
C32 C31 1.429(7) . ?
C29 H29A 0.9700 . ?
C29 H29B 0.9700 . ?
C29 C30 1.462(7) . ?
C30 H30A 0.9700 . ?
C30 H30B 0.9700 . ?
C30 C31 1.447(8) . ?
C31 H31A 0.9700 . ?
C31 H31B 0.9700 . ?
K2 N4 2.741(2) 2_666 ?
K2 N3 2.867(2) 2_666 ?
K2 C6 3.257(3) 2_666 ?
K2 N1 3.040(2) 2_666 ?
K2 C1 3.249(3) 2_666 ?
K2 C7 3.436(3) 2_666 ?
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
P2 C22 C23 C28 -166.0(3) . . . . ?
P2 C22 C23 C24 14.7(4) . . . . ?
P2 C21 C20 C19 -4.2(4) . . . . ?
P2 C21 C20 C15 174.8(3) . . . . ?
C16 C17 C18 C19 0.9(7) . . . . ?
C17 C16 C15 C20 -0.1(6) . . . . ?
C12 C11 C10 C9 0.6(6) . . . . ?
C12 C11 C10 K1 68.7(4) . . . 2_677 ?
C12 C13 C14 C9 0.2(5) . . . . ?
C12 C13 C14 K1 -69.7(3) . . . 2_677 ?
C35 C34 C33 O2 16.4(8) . . . . ?
C35 C34 C33 K2 -5.9(11) . . . . ?
N4 N3 C21 P2 -0.2(3) . . . . ?
N4 N3 C21 C20 179.8(2) . . . . ?
N4 N3 C21 K1 -75.30(18) . . . . ?
N4 N3 C21 K2 76.28(19) . . . . ?
N4 C22 C23 C28 13.0(4) . . . . ?
N4 C22 C23 C24 -166.3(3) . . . . ?
C11 C12 C13 C14 1.0(6) . . . . ?
C11 C12 C13 K1 -69.6(4) . . . 2_677 ?
C11 C10 C9 C8 179.8(3) . . . . ?
C11 C10 C9 C14 0.5(5) . . . . ?
C11 C10 C9 K1 66.1(3) . . . 2_677 ?
C4 C5 C6 C1 0.9(5) . . . . ?
C4 C5 C6 C7 -177.8(3) . . . . ?
C4 C5 C6 K2 86.9(3) . . . 2_666 ?
C4 C3 C2 C1 1.8(6) . . . . ?
C5 C4 C3 C2 -1.1(6) . . . . ?
C5 C6 C1 C2 -0.2(5) . . . . ?
C5 C6 C1 K2 106.3(3) . . . 2_666 ?
C5 C6 C7 P1 32.7(4) . . . . ?
C5 C6 C7 N1 -150.1(3) . . . . ?
C5 C6 C7 K2 -110.0(3) . . . 2_666 ?
N3 N4 C22 P2 -0.7(3) . . . . ?
N3 N4 C22 C23 -179.8(2) . . . . ?
N3 N4 C22 K1 77.62(18) . . . . ?
N3 N4 C22 K2 -76.39(18) . . . . ?
N3 C21 C20 C19 175.8(3) . . . . ?
N3 C21 C20 C15 -5.2(4) . . . . ?
C10 C9 C8 P1 -12.7(4) . . . . ?
C10 C9 C8 N2 168.2(3) . . . . ?
C10 C9 C14 C13 -0.9(5) . . . . ?
C10 C9 C14 K1 66.5(3) . . . 2_677 ?
C36 O2 C33 C34 0.4(8) . . . . ?
C36 O2 C33 K2 158.7(6) . . . . ?
C36 C35 C34 C33 -25.3(8) . . . . ?
C19 C20 C15 C16 0.1(5) . . . . ?
C26 C27 C28 C23 0.1(6) . . . . ?
C26 C25 C24 C23 -1.1(6) . . . . ?
C22 P2 C21 N3 -0.1(2) . . . . ?
C22 P2 C21 C20 179.9(3) . . . . ?
C22 P2 C21 K1 59.91(10) . . . . ?
C22 P2 C21 K2 -62.30(10) . . . . ?
C22 N4 N3 C21 0.6(3) . . . . ?
C22 N4 N3 K1 -86.4(2) . . . . ?
C22 N4 N3 K2 -179.6(2) . . . 2_666 ?
C22 N4 N3 K2 86.2(2) . . . . ?
C22 C23 C28 C27 179.7(3) . . . . ?
C22 C23 C24 C25 -179.2(3) . . . . ?
C34 C35 C36 O2 25.5(7) . . . . ?
N2 N1 C7 P1 0.4(3) . . . . ?
N2 N1 C7 C6 -177.1(2) . . . . ?
N2 N1 C7 K2 139.3(2) . . . 2_666 ?
C18 C19 C20 C21 179.4(3) . . . . ?
C18 C19 C20 C15 0.5(5) . . . . ?
C3 C4 C5 C6 -0.3(6) . . . . ?
C3 C2 C1 C6 -1.1(5) . . . . ?
C3 C2 C1 K2 -89.1(4) . . . 2_666 ?
C28 C27 C26 C25 0.2(7) . . . . ?
C28 C23 C24 C25 1.4(5) . . . . ?
C24 C25 C26 C27 0.3(7) . . . . ?
C24 C23 C28 C27 -0.9(5) . . . . ?
N1 N2 C8 P1 -0.3(3) . . . . ?
N1 N2 C8 C9 178.9(2) . . . . ?
C8 P1 C7 C6 176.8(3) . . . . ?
C8 P1 C7 N1 -0.5(2) . . . . ?
C8 P1 C7 K2 -75.6(2) . . . 2_666 ?
C8 N2 N1 C7 0.0(4) . . . . ?
C8 N2 N1 K1 -163.6(2) . . . . ?
C8 N2 N1 K2 120.0(2) . . . 2_666 ?
C8 C9 C14 C13 179.8(3) . . . . ?
C8 C9 C14 K1 -112.8(3) . . . 2_677 ?
C1 C6 C7 P1 -145.9(3) . . . . ?
C1 C6 C7 N1 31.3(4) . . . . ?
C1 C6 C7 K2 71.4(3) . . . 2_666 ?
C13 C12 C11 C10 -1.4(6) . . . . ?
C13 C12 C11 K1 68.9(3) . . . 2_677 ?
C21 P2 C22 N4 0.5(2) . . . . ?
C21 P2 C22 C23 179.5(3) . . . . ?
C21 P2 C22 K1 -61.78(10) . . . . ?
C21 P2 C22 K2 61.84(10) . . . . ?
C21 C20 C15 C16 -178.9(3) . . . . ?
C20 C19 C18 C17 -1.0(7) . . . . ?
C15 C16 C17 C18 -0.4(7) . . . . ?
C7 P1 C8 N2 0.5(2) . . . . ?
C7 P1 C8 C9 -178.7(3) . . . . ?
C7 C6 C1 C2 178.5(3) . . . . ?
C7 C6 C1 K2 -75.1(2) . . . 2_666 ?
C33 O2 C36 C35 -16.5(7) . . . . ?
C14 C9 C8 P1 166.6(2) . . . . ?
C14 C9 C8 N2 -12.5(4) . . . . ?
K1 P2 C22 N4 62.25(18) . . . . ?
K1 P2 C22 C23 -118.7(3) . . . . ?
K1 P2 C22 K2 123.62(9) . . . . ?
K1 P2 C21 N3 -60.06(19) . . . . ?
K1 P2 C21 C20 119.9(3) . . . . ?
K1 P2 C21 K2 -122.22(9) . . . . ?
K1 C12 C11 C10 -70.3(4) 2_677 . . . ?
K1 C12 C13 C14 70.6(3) 2_677 . . . ?
K1 N4 N3 C21 87.0(2) . . . . ?
K1 N4 N3 K2 -93.19(5) . . . 2_666 ?
K1 N4 N3 K2 172.60(6) . . . . ?
K1 N4 C22 P2 -78.30(17) . . . . ?
K1 N4 C22 C23 102.6(2) . . . . ?
K1 N4 C22 K2 -154.01(10) . . . . ?
K1 C11 C10 C9 -68.1(3) 2_677 . . . ?
K1 N3 C21 P2 75.10(17) . . . . ?
K1 N3 C21 C20 -104.9(2) . . . . ?
K1 N3 C21 K2 151.57(10) . . . . ?
K1 C10 C9 C8 113.7(3) 2_677 . . . ?
K1 C10 C9 C14 -65.6(3) 2_677 . . . ?
K1 C22 C23 C28 84.9(3) . . . . ?
K1 C22 C23 C24 -94.4(3) . . . . ?
K1 N2 N1 C7 163.5(2) . . . . ?
K1 N2 N1 K2 -76.44(19) . . . 2_666 ?
K1 N2 C8 P1 -116.2(6) . . . . ?
K1 N2 C8 C9 63.1(8) . . . . ?
K1 C9 C8 P1 77.9(3) 2_677 . . . ?
K1 C9 C8 N2 -101.2(3) 2_677 . . . ?
K1 C9 C14 C13 -67.4(3) 2_677 . . . ?
K1 N1 C7 P1 114.1(6) . . . . ?
K1 N1 C7 C6 -63.5(7) . . . . ?
K1 N1 C7 K2 -107.0(7) . . . 2_666 ?
K1 C13 C14 C9 69.9(3) 2_677 . . . ?
K1 C21 C20 C19 103.5(3) . . . . ?
K1 C21 C20 C15 -77.6(3) . . . . ?
K1 O1 C32 C31 -162.8(4) . . . . ?
K1 O1 C29 C30 152.7(4) . . . . ?
O1 C32 C31 C30 0.6(8) . . . . ?
O1 C29 C30 C31 27.0(8) . . . . ?
C32 O1 C29 C30 -27.3(6) . . . . ?
C29 O1 C32 C31 17.1(7) . . . . ?
C29 C30 C31 C32 -16.9(9) . . . . ?
K2 P2 C22 N4 -61.37(18) . . . . ?
K2 P2 C22 C23 117.7(3) . . . . ?
K2 P2 C22 K1 -123.62(9) . . . . ?
K2 P2 C21 N3 62.16(18) . . . . ?
K2 P2 C21 C20 -117.8(3) . . . . ?
K2 P2 C21 K1 122.22(9) . . . . ?
K2 O2 C36 C35 142.5(4) . . . . ?
K2 O2 C33 C34 -158.3(4) . . . . ?
K2 N4 N3 C21 -179.8(2) 2_666 . . . ?
K2 N4 N3 C21 -85.6(2) . . . . ?
K2 N4 N3 K1 93.19(5) 2_666 . . . ?
K2 N4 N3 K1 -172.60(6) . . . . ?
K2 N4 N3 K2 94.21(5) . . . 2_666 ?
K2 N4 N3 K2 -94.21(5) 2_666 . . . ?
K2 N4 C22 P2 75.71(17) . . . . ?
K2 N4 C22 P2 -179.1(7) 2_666 . . . ?
K2 N4 C22 C23 1.8(9) 2_666 . . . ?
K2 N4 C22 C23 -103.4(2) . . . . ?
K2 N4 C22 K1 154.01(10) . . . . ?
K2 N4 C22 K1 -100.8(8) 2_666 . . . ?
K2 N4 C22 K2 105.2(8) 2_666 . . . ?
K2 N3 C21 P2 -76.47(17) . . . . ?
K2 N3 C21 C20 103.5(2) . . . . ?
K2 N3 C21 K1 -151.57(10) . . . . ?
K2 C22 C23 C28 -59.5(3) . . . . ?
K2 C22 C23 C24 121.2(3) . . . . ?
K2 C6 C1 C2 -106.5(3) 2_666 . . . ?
K2 C6 C7 P1 142.7(2) 2_666 . . . ?
K2 C6 C7 N1 -40.1(2) 2_666 . . . ?
K2 N1 C7 P1 -138.89(16) 2_666 . . . ?
K2 N1 C7 C6 43.6(3) 2_666 . . . ?
K2 C21 C20 C19 -110.6(3) . . . . ?
K2 C21 C20 C15 68.3(3) . . . . ?
