#------------------------------------------------------------------------------
#$Date: 2016-03-26 02:20:11 +0200 (Sat, 26 Mar 2016) $
#$Revision: 180133 $
#$URL: svn://www.crystallography.net/cod/cif/7/10/31/7103115.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_7103115
loop_
_publ_author_name
'Wan, Li'
'Pi, Chengfu'
'Zhang, Lan'
'Zheng, Wenjun'
'Weng, Linhong'
'Chen, Zhenxia'
'Zhang, Yong'
_publ_section_title
;
 Structural diversity of 1,2,4-diazaphospholide complexes with alkali
 metals.
;
_journal_issue                   19
_journal_name_full
'Chemical communications (Cambridge, England)'
_journal_page_first              2266
_journal_page_last               2268
_journal_paper_doi               10.1039/b800222c
_journal_year                    2008
_chemical_formula_moiety         'C36 H40 K2 N4 O2 P2'
_chemical_formula_sum            'C36 H40 K2 N4 O2 P2'
_chemical_formula_weight         700.86
_chemical_name_systematic
;
?
;
_space_group_IT_number           15
_symmetry_cell_setting           monoclinic
_symmetry_Int_Tables_number      15
_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     direct
_atom_sites_solution_secondary   difmap
_audit_creation_method           SHELXL-97
_cell_angle_alpha                90.00
_cell_angle_beta                 127.450(2)
_cell_angle_gamma                90.00
_cell_formula_units_Z            4
_cell_length_a                   19.354(3)
_cell_length_b                   20.082(2)
_cell_length_c                   11.8003(18)
_cell_measurement_reflns_used    6273
_cell_measurement_temperature    173(2)
_cell_measurement_theta_max      25.3
_cell_measurement_theta_min      3.3
_cell_volume                     3641.1(9)
_computing_cell_refinement       CrystalClear
_computing_data_collection       CrystalClear
_computing_data_reduction        CrystalStructure
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 1997)'
_computing_structure_solution    'SHELXS-97 (Sheldrick, 1990)'
_diffrn_ambient_temperature      173(2)
_diffrn_detector_area_resol_mean 7.31
_diffrn_measured_fraction_theta_full 0.996
_diffrn_measured_fraction_theta_max 0.996
_diffrn_measurement_device_type  'Rigaku Mercury'
_diffrn_measurement_method       ω
_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  0.0340
_diffrn_reflns_av_sigmaI/netI    0.0257
_diffrn_reflns_limit_h_max       23
_diffrn_reflns_limit_h_min       -23
_diffrn_reflns_limit_k_max       24
_diffrn_reflns_limit_k_min       -23
_diffrn_reflns_limit_l_max       14
_diffrn_reflns_limit_l_min       -14
_diffrn_reflns_number            17631
_diffrn_reflns_theta_full        25.35
_diffrn_reflns_theta_max         25.35
_diffrn_reflns_theta_min         3.32
_exptl_absorpt_coefficient_mu    0.385
_exptl_absorpt_correction_T_max  0.871
_exptl_absorpt_correction_T_min  0.670
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   'Jacobson, R. (1998) Private communication'
_exptl_crystal_colour            colorless
_exptl_crystal_density_diffrn    1.279
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       block
_exptl_crystal_F_000             1472
_exptl_crystal_size_max          0.44
_exptl_crystal_size_mid          0.40
_exptl_crystal_size_min          0.36
_refine_diff_density_max         0.217
_refine_diff_density_min         -0.252
_refine_diff_density_rms         0.040
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.131
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     211
_refine_ls_number_reflns         3326
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      1.131
_refine_ls_R_factor_all          0.0440
_refine_ls_R_factor_gt           0.0378
_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)+(0.0275P)²+3.2014P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0773
_refine_ls_wR_factor_ref         0.0815
_reflns_number_gt                3054
_reflns_number_total             3326
_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            b800222c.txt
_cod_data_source_block           shelxla
_cod_original_sg_symbol_H-M      'C 2/c'
_cod_database_code               7103115
loop_
_symmetry_equiv_pos_as_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_symmetry_multiplicity
_atom_site_calc_flag
_atom_site_refinement_flags
_atom_site_disorder_assembly
_atom_site_disorder_group
K1 K 0.32342(3) 0.26734(2) -0.07095(4) 0.03352(13) Uani 1 1 d . . .
P1 P 0.34091(3) 0.36291(2) 0.35242(5) 0.03131(14) Uani 1 1 d . . .
O1 O 0.34794(9) 0.37761(6) -0.17991(15) 0.0384(3) Uani 1 1 d . . .
N1 N 0.29482(10) 0.33650(7) 0.09823(16) 0.0302(4) Uani 1 1 d . . .
N2 N 0.35305(10) 0.28800(7) 0.18440(16) 0.0304(4) Uani 1 1 d . . .
C1 C 0.28174(11) 0.37989(8) 0.16980(18) 0.0235(4) Uani 1 1 d . . .
C2 C 0.38362(11) 0.29488(8) 0.32047(18) 0.0244(4) Uani 1 1 d . . .
C3 C 0.22101(11) 0.43579(8) 0.09067(18) 0.0232(4) Uani 1 1 d . . .
C4 C 0.18080(12) 0.44556(9) -0.05493(19) 0.0292(4) Uani 1 1 d . . .
H4 H 0.1945 0.4169 -0.1028 0.035 Uiso 1 1 calc R . .
C5 C 0.12120(12) 0.49664(10) -0.1295(2) 0.0334(4) Uani 1 1 d . . .
H5 H 0.0937 0.5022 -0.2284 0.040 Uiso 1 1 calc R . .
C6 C 0.10146(12) 0.53957(9) -0.0613(2) 0.0329(4) Uani 1 1 d . . .
H6 H 0.0609 0.5747 -0.1127 0.039 Uiso 1 1 calc R . .
C7 C 0.14120(12) 0.53095(9) 0.0827(2) 0.0299(4) Uani 1 1 d . . .
H7 H 0.1278 0.5602 0.1301 0.036 Uiso 1 1 calc R . .
C8 C 0.20058(11) 0.47972(8) 0.15778(19) 0.0260(4) Uani 1 1 d . . .
H8 H 0.2278 0.4745 0.2567 0.031 Uiso 1 1 calc R . .
C9 C 0.44875(11) 0.24639(8) 0.42659(19) 0.0250(4) Uani 1 1 d . . .
C10 C 0.49175(12) 0.25613(9) 0.5721(2) 0.0304(4) Uani 1 1 d . . .
H10 H 0.4788 0.2944 0.6034 0.036 Uiso 1 1 calc R . .
C11 C 0.55309(12) 0.21093(10) 0.6721(2) 0.0331(4) Uani 1 1 d . . .
H11 H 0.5813 0.2183 0.7708 0.040 Uiso 1 1 calc R . .
C12 C 0.57338(12) 0.15513(9) 0.6288(2) 0.0331(4) Uani 1 1 d . . .
H12 H 0.6158 0.1243 0.6973 0.040 Uiso 1 1 calc R . .
C13 C 0.53127(12) 0.14459(9) 0.4845(2) 0.0336(4) Uani 1 1 d . . .
H13 H 0.5447 0.1063 0.4540 0.040 Uiso 1 1 calc R . .
C14 C 0.46985(12) 0.18955(9) 0.3846(2) 0.0310(4) Uani 1 1 d . . .
H14 H 0.4415 0.1817 0.2861 0.037 Uiso 1 1 calc R . .
C15 C 0.32378(15) 0.37620(11) -0.3203(2) 0.0434(5) Uani 1 1 d . . .
H15A H 0.3749 0.3647 -0.3166 0.052 Uiso 1 1 calc R . .
H15B H 0.3024 0.4206 -0.3653 0.052 Uiso 1 1 calc R . .
C16 C 0.25327(16) 0.32500(11) -0.4066(2) 0.0508(6) Uani 1 1 d . . .
H16A H 0.2758 0.2809 -0.3642 0.076 Uiso 1 1 calc R . .
H16B H 0.2344 0.3250 -0.5048 0.076 Uiso 1 1 calc R . .
H16C H 0.2037 0.3358 -0.4070 0.076 Uiso 1 1 calc R . .
C17 C 0.41063(14) 0.42862(10) -0.0946(2) 0.0436(5) Uani 1 1 d . . .
H17A H 0.3868 0.4726 -0.1403 0.052 Uiso 1 1 calc R . .
H17B H 0.4641 0.4205 -0.0861 0.052 Uiso 1 1 calc R . .
C18 C 0.43181(17) 0.42822(13) 0.0507(3) 0.0613(7) Uani 1 1 d . . .
H18A H 0.3786 0.4359 0.0414 0.092 Uiso 1 1 calc R . .
H18B H 0.4739 0.4635 0.1092 0.092 Uiso 1 1 calc R . .
H18C H 0.4567 0.3850 0.0963 0.092 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'
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
N2 K1 O1 114.44(5) . . ?
N2 K1 N1 28.78(4) . . ?
O1 K1 N1 95.80(4) . . ?
N2 K1 N1 81.79(4) . 7 ?
O1 K1 N1 149.19(4) . 7 ?
N1 K1 N1 87.20(5) . 7 ?
N2 K1 N2 88.12(5) . 7 ?
O1 K1 N2 124.08(4) . 7 ?
N1 K1 N2 80.51(4) . 7 ?
N1 K1 N2 26.30(4) 7 7 ?
N2 K1 C12 125.15(5) . 2_655 ?
O1 K1 C12 98.82(5) . 2_655 ?
N1 K1 C12 153.75(5) . 2_655 ?
N1 K1 C12 91.22(4) 7 2_655 ?
N2 K1 C12 108.43(4) 7 2_655 ?
N2 K1 C1 101.09(4) . 7 ?
O1 K1 C1 141.84(4) . 7 ?
N1 K1 C1 110.39(5) . 7 ?
N1 K1 C1 23.32(4) 7 7 ?
N2 K1 C1 40.71(4) 7 7 ?
C12 K1 C1 69.41(4) 2_655 7 ?
N2 K1 C13 101.45(5) . 2_655 ?
O1 K1 C13 112.28(5) . 2_655 ?
N1 K1 C13 130.07(5) . 2_655 ?
N1 K1 C13 88.03(4) 7 2_655 ?
N2 K1 C13 111.87(4) 7 2_655 ?
C12 K1 C13 23.71(5) 2_655 2_655 ?
C1 K1 C13 71.51(4) 7 2_655 ?
N2 K1 C11 134.92(5) . 2_655 ?
O1 K1 C11 75.47(5) . 2_655 ?
N1 K1 C11 154.81(5) . 2_655 ?
N1 K1 C11 112.53(4) 7 2_655 ?
N2 K1 C11 124.09(4) 7 2_655 ?
C12 K1 C11 23.45(5) 2_655 2_655 ?
C1 K1 C11 89.54(4) 7 2_655 ?
C13 K1 C11 40.88(5) 2_655 2_655 ?
N2 K1 C2 110.57(5) . 7 ?
O1 K1 C2 109.51(4) . 7 ?
N1 K1 C2 99.21(5) . 7 ?
N1 K1 C2 40.06(4) 7 7 ?
N2 K1 C2 22.61(4) 7 7 ?
C12 K1 C2 96.29(4) 2_655 7 ?
C1 K1 C2 40.93(4) 7 7 ?
C13 K1 C2 108.24(4) 2_655 7 ?
C11 K1 C2 105.97(4) 2_655 7 ?
N2 K1 K1 46.82(3) . 7 ?
O1 K1 K1 133.01(3) . 7 ?
N1 K1 K1 45.65(3) . 7 ?
N1 K1 K1 41.55(3) 7 7 ?
N2 K1 K1 41.30(3) 7 7 ?
C12 K1 K1 127.65(4) 2_655 7 ?
C1 K1 K1 64.78(3) 7 7 ?
C13 K1 K1 113.76(4) 2_655 7 ?
C11 K1 K1 151.07(4) 2_655 7 ?
C2 K1 K1 63.79(3) 7 7 ?
C1 P1 C2 85.88(8) . . ?
C15 O1 C17 111.78(16) . . ?
C15 O1 K1 120.13(11) . . ?
C17 O1 K1 124.22(12) . . ?
C1 N1 N2 112.43(14) . . ?
C1 N1 K1 169.76(12) . . ?
N2 N1 K1 74.97(9) . . ?
C1 N1 K1 95.54(10) . 7 ?
N2 N1 K1 79.17(9) . 7 ?
K1 N1 K1 92.80(5) . 7 ?
C2 N2 N1 112.52(14) . . ?
C2 N2 K1 168.77(12) . . ?
N1 N2 K1 76.24(9) . . ?
C2 N2 K1 97.20(11) . 7 ?
N1 N2 K1 74.53(9) . 7 ?
K1 N2 K1 91.88(5) . 7 ?
N1 C1 C3 118.60(15) . . ?
N1 C1 P1 114.57(13) . . ?
C3 C1 P1 126.83(13) . . ?
N1 C1 K1 61.14(9) . 7 ?
C3 C1 K1 111.54(10) . 7 ?
P1 C1 K1 93.47(7) . 7 ?
N2 C2 C9 118.38(15) . . ?
N2 C2 P1 114.59(13) . . ?
C9 C2 P1 127.02(13) . . ?
N2 C2 K1 60.19(9) . 7 ?
C9 C2 K1 115.69(10) . 7 ?
P1 C2 K1 90.63(6) . 7 ?
C8 C3 C4 117.99(16) . . ?
C8 C3 C1 120.92(15) . . ?
C4 C3 C1 121.07(15) . . ?
C5 C4 C3 120.55(17) . . ?
C5 C4 H4 119.7 . . ?
C3 C4 H4 119.7 . . ?
C6 C5 C4 120.65(17) . . ?
C6 C5 H5 119.7 . . ?
C4 C5 H5 119.7 . . ?
C5 C6 C7 119.48(17) . . ?
C5 C6 H6 120.3 . . ?
C7 C6 H6 120.3 . . ?
C6 C7 C8 120.19(17) . . ?
C6 C7 H7 119.9 . . ?
C8 C7 H7 119.9 . . ?
C7 C8 C3 121.14(16) . . ?
C7 C8 H8 119.4 . . ?
C3 C8 H8 119.4 . . ?
C10 C9 C14 117.78(16) . . ?
C10 C9 C2 120.94(16) . . ?
C14 C9 C2 121.28(16) . . ?
C11 C10 C9 121.16(17) . . ?
C11 C10 H10 119.4 . . ?
C9 C10 H10 119.4 . . ?
C12 C11 C10 120.30(18) . . ?
C12 C11 K1 74.11(10) . 2_655 ?
C10 C11 K1 84.59(11) . 2_655 ?
C12 C11 H11 119.9 . . ?
C10 C11 H11 119.9 . . ?
K1 C11 H11 111.7 2_655 . ?
C11 C12 C13 119.37(17) . . ?
C11 C12 K1 82.44(11) . 2_655 ?
C13 C12 K1 80.23(11) . 2_655 ?
C11 C12 H12 120.3 . . ?
C13 C12 H12 120.3 . . ?
K1 C12 H12 107.4 2_655 . ?
C14 C13 C12 120.37(18) . . ?
C14 C13 K1 84.71(11) . 2_655 ?
C12 C13 K1 76.06(11) . 2_655 ?
C14 C13 H13 119.8 . . ?
C12 C13 H13 119.8 . . ?
K1 C13 H13 109.6 2_655 . ?
C13 C14 C9 121.02(18) . . ?
C13 C14 H14 119.5 . . ?
C9 C14 H14 119.5 . . ?
O1 C15 C16 108.81(17) . . ?
O1 C15 H15A 109.9 . . ?
C16 C15 H15A 109.9 . . ?
O1 C15 H15B 109.9 . . ?
C16 C15 H15B 109.9 . . ?
H15A C15 H15B 108.3 . . ?
C15 C16 H16A 109.5 . . ?
C15 C16 H16B 109.5 . . ?
H16A C16 H16B 109.5 . . ?
C15 C16 H16C 109.5 . . ?
H16A C16 H16C 109.5 . . ?
H16B C16 H16C 109.5 . . ?
O1 C17 C18 108.98(17) . . ?
O1 C17 H17A 109.9 . . ?
C18 C17 H17A 109.9 . . ?
O1 C17 H17B 109.9 . . ?
C18 C17 H17B 109.9 . . ?
H17A C17 H17B 108.3 . . ?
C17 C18 H18A 109.5 . . ?
C17 C18 H18B 109.5 . . ?
H18A C18 H18B 109.5 . . ?
C17 C18 H18C 109.5 . . ?
H18A C18 H18C 109.5 . . ?
H18B C18 H18C 109.5 . . ?
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
K1 N2 2.7348(16) . ?
K1 O1 2.7430(14) . ?
K1 N1 2.7504(15) . ?
K1 N1 2.9653(16) 7 ?
K1 N2 3.0220(17) 7 ?
K1 C12 3.3450(18) 2_655 ?
K1 C1 3.3700(17) 7 ?
K1 C13 3.3966(19) 2_655 ?
K1 C11 3.4477(19) 2_655 ?
K1 C2 3.4552(18) 7 ?
K1 K1 4.1418(9) 7 ?
P1 C1 1.7523(18) . ?
P1 C2 1.7523(17) . ?
O1 C15 1.422(2) . ?
O1 C17 1.432(2) . ?
N1 C1 1.340(2) . ?
N1 N2 1.363(2) . ?
N1 K1 2.9653(16) 7 ?
N2 C2 1.339(2) . ?
N2 K1 3.0220(17) 7 ?
C1 C3 1.476(2) . ?
C1 K1 3.3700(17) 7 ?
C2 C9 1.478(2) . ?
C2 K1 3.4552(18) 7 ?
C3 C8 1.394(2) . ?
C3 C4 1.404(2) . ?
C4 C5 1.387(3) . ?
C4 H4 0.9500 . ?
C5 C6 1.382(3) . ?
C5 H5 0.9500 . ?
C6 C7 1.385(3) . ?
C6 H6 0.9500 . ?
C7 C8 1.388(2) . ?
C7 H7 0.9500 . ?
C8 H8 0.9500 . ?
C9 C10 1.393(3) . ?
C9 C14 1.400(2) . ?
C10 C11 1.386(3) . ?
C10 H10 0.9500 . ?
C11 C12 1.384(3) . ?
C11 K1 3.4477(19) 2_655 ?
C11 H11 0.9500 . ?
C12 C13 1.386(3) . ?
C12 K1 3.3450(18) 2_655 ?
C12 H12 0.9500 . ?
C13 C14 1.383(3) . ?
C13 K1 3.3966(19) 2_655 ?
C13 H13 0.9500 . ?
C14 H14 0.9500 . ?
C15 C16 1.506(3) . ?
C15 H15A 0.9900 . ?
C15 H15B 0.9900 . ?
C16 H16A 0.9800 . ?
C16 H16B 0.9800 . ?
C16 H16C 0.9800 . ?
C17 C18 1.501(3) . ?
C17 H17A 0.9900 . ?
C17 H17B 0.9900 . ?
C18 H18A 0.9800 . ?
C18 H18B 0.9800 . ?
C18 H18C 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_2
_geom_torsion_site_symmetry_3
_geom_torsion_site_symmetry_4
_geom_torsion_publ_flag
N2 K1 O1 C15 -171.68(13) . . . . ?
N1 K1 O1 C15 -148.83(13) . . . . ?
N1 K1 O1 C15 -54.55(17) 7 . . . ?
N2 K1 O1 C15 -66.37(14) 7 . . . ?
C12 K1 O1 C15 53.04(14) 2_655 . . . ?
C1 K1 O1 C15 -14.71(16) 7 . . . ?
C13 K1 O1 C15 73.37(14) 2_655 . . . ?
C11 K1 O1 C15 55.21(13) 2_655 . . . ?
C2 K1 O1 C15 -46.89(14) 7 . . . ?
K1 K1 O1 C15 -118.83(13) 7 . . . ?
N2 K1 O1 C17 32.31(15) . . . . ?
N1 K1 O1 C17 55.16(14) . . . . ?
N1 K1 O1 C17 149.44(13) 7 . . . ?
N2 K1 O1 C17 137.62(14) 7 . . . ?
C12 K1 O1 C17 -102.96(14) 2_655 . . . ?
C1 K1 O1 C17 -170.72(13) 7 . . . ?
C13 K1 O1 C17 -82.64(15) 2_655 . . . ?
C11 K1 O1 C17 -100.80(14) 2_655 . . . ?
C2 K1 O1 C17 157.10(14) 7 . . . ?
K1 K1 O1 C17 85.17(15) 7 . . . ?
N2 K1 N1 C1 137.4(7) . . . . ?
O1 K1 N1 C1 4.7(7) . . . . ?
N1 K1 N1 C1 -144.6(7) 7 . . . ?
N2 K1 N1 C1 -119.0(7) 7 . . . ?
C12 K1 N1 C1 128.4(6) 2_655 . . . ?
C1 K1 N1 C1 -147.1(7) 7 . . . ?
C13 K1 N1 C1 130.4(7) 2_655 . . . ?
C11 K1 N1 C1 72.6(7) 2_655 . . . ?
C2 K1 N1 C1 -106.2(7) 7 . . . ?
K1 K1 N1 C1 -144.6(7) 7 . . . ?
O1 K1 N1 N2 -132.76(10) . . . . ?
N1 K1 N1 N2 78.00(9) 7 . . . ?
N2 K1 N1 N2 103.60(9) 7 . . . ?
C12 K1 N1 N2 -9.09(16) 2_655 . . . ?
C1 K1 N1 N2 75.49(10) 7 . . . ?
C13 K1 N1 N2 -7.07(12) 2_655 . . . ?
C11 K1 N1 N2 -64.88(15) 2_655 . . . ?
C2 K1 N1 N2 116.35(10) 7 . . . ?
K1 K1 N1 N2 78.00(9) 7 . . . ?
N2 K1 N1 K1 -78.00(9) . . . 7 ?
O1 K1 N1 K1 149.25(4) . . . 7 ?
N1 K1 N1 K1 0.0 7 . . 7 ?
N2 K1 N1 K1 25.60(4) 7 . . 7 ?
C12 K1 N1 K1 -87.08(11) 2_655 . . 7 ?
C1 K1 N1 K1 -2.51(5) 7 . . 7 ?
C13 K1 N1 K1 -85.06(6) 2_655 . . 7 ?
C11 K1 N1 K1 -142.87(10) 2_655 . . 7 ?
C2 K1 N1 K1 38.35(4) 7 . . 7 ?
C1 N1 N2 C2 0.1(2) . . . . ?
K1 N1 N2 C2 172.60(14) . . . . ?
K1 N1 N2 C2 -91.49(13) 7 . . . ?
C1 N1 N2 K1 -172.53(14) . . . . ?
K1 N1 N2 K1 95.90(3) 7 . . . ?
C1 N1 N2 K1 91.57(13) . . . 7 ?
K1 N1 N2 K1 -95.90(4) . . . 7 ?
O1 K1 N2 C2 -89.0(6) . . . . ?
N1 K1 N2 C2 -142.3(7) . . . . ?
N1 K1 N2 C2 118.4(6) 7 . . . ?
N2 K1 N2 C2 144.1(6) 7 . . . ?
C12 K1 N2 C2 32.8(6) 2_655 . . . ?
C1 K1 N2 C2 105.3(6) 7 . . . ?
C13 K1 N2 C2 32.1(6) 2_655 . . . ?
C11 K1 N2 C2 4.7(7) 2_655 . . . ?
C2 K1 N2 C2 146.8(6) 7 . . . ?
K1 K1 N2 C2 144.1(6) 7 . . . ?
O1 K1 N2 N1 53.36(10) . . . . ?
N1 K1 N2 N1 -99.22(9) 7 . . . ?
N2 K1 N2 N1 -73.57(9) 7 . . . ?
C12 K1 N2 N1 175.10(9) 2_655 . . . ?
C1 K1 N2 N1 -112.38(9) 7 . . . ?
C13 K1 N2 N1 174.49(9) 2_655 . . . ?
C11 K1 N2 N1 147.03(9) 2_655 . . . ?
C2 K1 N2 N1 -70.86(10) 7 . . . ?
K1 K1 N2 N1 -73.57(9) 7 . . . ?
O1 K1 N2 K1 126.93(4) . . . 7 ?
N1 K1 N2 K1 73.57(9) . . . 7 ?
N1 K1 N2 K1 -25.64(4) 7 . . 7 ?
N2 K1 N2 K1 0.0 7 . . 7 ?
C12 K1 N2 K1 -111.33(5) 2_655 . . 7 ?
C1 K1 N2 K1 -38.80(4) 7 . . 7 ?
C13 K1 N2 K1 -111.94(4) 2_655 . . 7 ?
C11 K1 N2 K1 -139.39(6) 2_655 . . 7 ?
C2 K1 N2 K1 2.71(5) 7 . . 7 ?
N2 N1 C1 C3 179.26(14) . . . . ?
K1 N1 C1 C3 44.2(7) . . . . ?
K1 N1 C1 C3 -100.20(14) 7 . . . ?
N2 N1 C1 P1 -0.69(19) . . . . ?
K1 N1 C1 P1 -135.7(6) . . . . ?
K1 N1 C1 P1 79.86(11) 7 . . . ?
N2 N1 C1 K1 -80.55(13) . . . 7 ?
K1 N1 C1 K1 144.4(7) . . . 7 ?
C2 P1 C1 N1 0.82(13) . . . . ?
C2 P1 C1 C3 -179.12(15) . . . . ?
C2 P1 C1 K1 60.55(7) . . . 7 ?
N1 N2 C2 C9 -178.84(14) . . . . ?
K1 N2 C2 C9 -38.8(7) . . . . ?
K1 N2 C2 C9 104.97(14) 7 . . . ?
N1 N2 C2 P1 0.6(2) . . . . ?
K1 N2 C2 P1 140.6(6) . . . . ?
K1 N2 C2 P1 -75.62(11) 7 . . . ?
N1 N2 C2 K1 76.19(13) . . . 7 ?
K1 N2 C2 K1 -143.8(6) . . . 7 ?
C1 P1 C2 N2 -0.77(14) . . . . ?
C1 P1 C2 C9 178.58(16) . . . . ?
C1 P1 C2 K1 -57.97(6) . . . 7 ?
N1 C1 C3 C8 175.65(16) . . . . ?
P1 C1 C3 C8 -4.4(2) . . . . ?
K1 C1 C3 C8 107.73(15) 7 . . . ?
N1 C1 C3 C4 -3.1(2) . . . . ?
P1 C1 C3 C4 176.85(13) . . . . ?
K1 C1 C3 C4 -71.02(17) 7 . . . ?
C8 C3 C4 C5 -1.4(3) . . . . ?
C1 C3 C4 C5 177.39(16) . . . . ?
C3 C4 C5 C6 1.1(3) . . . . ?
C4 C5 C6 C7 -0.5(3) . . . . ?
C5 C6 C7 C8 0.2(3) . . . . ?
C6 C7 C8 C3 -0.5(3) . . . . ?
C4 C3 C8 C7 1.1(3) . . . . ?
C1 C3 C8 C7 -177.72(16) . . . . ?
N2 C2 C9 C10 171.05(16) . . . . ?
P1 C2 C9 C10 -8.3(2) . . . . ?
K1 C2 C9 C10 -120.49(15) 7 . . . ?
N2 C2 C9 C14 -8.4(2) . . . . ?
P1 C2 C9 C14 172.24(14) . . . . ?
K1 C2 C9 C14 60.03(19) 7 . . . ?
C14 C9 C10 C11 -0.3(3) . . . . ?
C2 C9 C10 C11 -179.78(16) . . . . ?
C9 C10 C11 C12 0.5(3) . . . . ?
C9 C10 C11 K1 68.56(17) . . . 2_655 ?
C10 C11 C12 C13 -0.5(3) . . . . ?
K1 C11 C12 C13 -74.28(16) 2_655 . . . ?
C10 C11 C12 K1 73.74(17) . . . 2_655 ?
C11 C12 C13 C14 0.3(3) . . . . ?
K1 C12 C13 C14 -75.20(17) 2_655 . . . ?
C11 C12 C13 K1 75.52(16) . . . 2_655 ?
C12 C13 C14 C9 -0.1(3) . . . . ?
K1 C13 C14 C9 -70.55(16) 2_655 . . . ?
C10 C9 C14 C13 0.1(3) . . . . ?
C2 C9 C14 C13 179.57(16) . . . . ?
C17 O1 C15 C16 -175.92(17) . . . . ?
K1 O1 C15 C16 25.3(2) . . . . ?
C15 O1 C17 C18 178.87(18) . . . . ?
K1 O1 C17 C18 -23.4(2) . . . . ?
