#------------------------------------------------------------------------------
#$Date: 2016-03-26 13:35:34 +0200 (Sat, 26 Mar 2016) $
#$Revision: 180228 $
#$URL: svn://www.crystallography.net/cod/cif/7/11/14/7111414.cif $
#------------------------------------------------------------------------------
#
# This file is available in the Crystallography Open Database (COD),
# http://www.crystallography.net/. The original data for this entry
# were provided the Crystal Eye server at
# http://wwmm.ch.cam.ac.uk/crystaleye/, created by Nick Day at the
# Peter Murray-Rust laboratory.
#
# The file may be used within the scientific community so long as
# proper attribution is given to the journal article from which the
# data were obtained.
#
data_7111414
loop_
_publ_author_name
'Boer�, Ren� T.'
'Cole, Marcus L.'
'Junk, Peter C.'
'Masuda, Jason D.'
'Wolmersh�user, Gotthelf'
_publ_section_title
;
 An N,P-disubstituted-2-aminophosphaalkene and lithium and potassium
 complexes of the deprotonated ?phosphaamidinate? anion
;
_journal_issue                   22
_journal_name_full               'Chemical Communications'
_journal_page_first              2564
_journal_page_last               2565
_journal_paper_doi               10.1039/b408994d
_journal_year                    2004
_chemical_formula_moiety         'C40 H57 K N O2 P'
_chemical_formula_sum            'C40 H57 K N O2 P'
_chemical_formula_weight         653.94
_chemical_melting_point          340
_chemical_name_common            ((K(N,P-Dipamidine)(THF))n).nTHF
_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                 131.306(2)
_cell_angle_gamma                90.00
_cell_formula_units_Z            8
_cell_length_a                   35.6979(5)
_cell_length_b                   12.2579(4)
_cell_length_c                   24.1180(5)
_cell_measurement_temperature    223(2)
_cell_volume                     7927.8(4)
_computing_cell_refinement       DENZO-SMN
_computing_data_collection       'Nonius Collect'
_computing_data_reduction        X-Seed
_computing_molecular_graphics    'X-Seed / POV-Ray'
_computing_publication_material  'Microsoft Office 2000'
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 1997)'
_computing_structure_solution    'SHELXS-97 (Sheldrick, 1990)'
_diffrn_ambient_temperature      223(2)
_diffrn_measured_fraction_theta_full 0.988
_diffrn_measured_fraction_theta_max 0.988
_diffrn_measurement_device_type  'Nonius Kappa CCD'
_diffrn_measurement_method       'psi and omega scans'
_diffrn_radiation_monochromator  graphite
_diffrn_radiation_probe          x-ray
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_reflns_av_R_equivalents  0.2154
_diffrn_reflns_av_sigmaI/netI    0.2164
_diffrn_reflns_limit_h_max       41
_diffrn_reflns_limit_h_min       -46
_diffrn_reflns_limit_k_max       15
_diffrn_reflns_limit_k_min       -16
_diffrn_reflns_limit_l_max       31
_diffrn_reflns_limit_l_min       -29
_diffrn_reflns_number            43531
_diffrn_reflns_theta_full        27.85
_diffrn_reflns_theta_max         27.85
_diffrn_reflns_theta_min         2.82
_diffrn_source                   'fine-focus sealed tube'
_exptl_absorpt_coefficient_mu    0.206
_exptl_absorpt_correction_T_max  0.9898
_exptl_absorpt_correction_T_min  0.9600
_exptl_absorpt_correction_type   empirical
_exptl_absorpt_process_details   'performed as part of the DENZO-SMN package'
_exptl_crystal_colour            yellow
_exptl_crystal_density_diffrn    1.096
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       'fine needle'
_exptl_crystal_F_000             2832
_exptl_crystal_size_max          0.20
_exptl_crystal_size_mid          0.10
_exptl_crystal_size_min          0.05
_refine_diff_density_max         0.273
_refine_diff_density_min         -0.298
_refine_diff_density_rms         0.045
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   0.975
_refine_ls_hydrogen_treatment    mixed
_refine_ls_matrix_type           full
_refine_ls_number_parameters     418
_refine_ls_number_reflns         9321
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      0.975
_refine_ls_R_factor_all          0.2776
_refine_ls_R_factor_gt           0.0892
_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)+(0.0833P)²+0.0000P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1638
_refine_ls_wR_factor_ref         0.2221
_reflns_number_gt                3166
_reflns_number_total             9321
_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            b408994dsup1.cif
_cod_data_source_block           Cmpd_Cmpd#4
_cod_original_cell_volume        7927.8(3)
_cod_original_sg_symbol_H-M      C2/c
_cod_database_code               7111414
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
K1 K 0.0000 0.80058(11) 0.2500 0.0685(5) Uani 1 2 d S
K2 K 0.0000 0.5000 0.0000 0.0774(5) Uani 1 2 d S
P1 P 0.07764(4) 0.63970(10) 0.14708(6) 0.0540(3) Uani 1 1 d .
O1 O 0.0476(2) 0.9838(4) 0.2548(5) 0.167(2) Uani 1 1 d .
O2 O 0.2661(6) 1.1099(14) 0.3756(9) 0.359(7) Uani 1 1 d .
N1 N 0.01448(11) 0.6552(2) 0.17366(17) 0.0446(8) Uani 1 1 d .
C1 C 0.06080(14) 0.6636(3) 0.2004(2) 0.0420(9) Uani 1 1 d .
C2 C 0.09678(14) 0.6956(3) 0.2804(2) 0.0450(10) Uani 1 1 d .
C3 C 0.09356(14) 0.6464(3) 0.3294(2) 0.0522(10) Uani 1 1 d .
H3 H 0.0691 0.5929 0.3118 0.063 Uiso 1 1 calc R
C4 C 0.12575(16) 0.6749(4) 0.4035(3) 0.0675(13) Uani 1 1 d .
H4 H 0.1231 0.6396 0.4353 0.081 Uiso 1 1 calc R
C5 C 0.16161(16) 0.7541(4) 0.4311(3) 0.0699(13) Uani 1 1 d .
C6 C 0.19683(18) 0.7870(5) 0.5121(3) 0.109(2) Uani 1 1 d .
H6A H 0.1889 0.7456 0.5375 0.163 Uiso 1 1 calc R
H6B H 0.1931 0.8643 0.5160 0.163 Uiso 1 1 calc R
H6C H 0.2310 0.7722 0.5345 0.163 Uiso 1 1 calc R
C7 C 0.16531(16) 0.8027(4) 0.3833(3) 0.0708(13) Uani 1 1 d .
H7 H 0.1897 0.8565 0.4011 0.085 Uiso 1 1 calc R
C8 C 0.13357(16) 0.7733(3) 0.3090(3) 0.0600(12) Uani 1 1 d .
H8 H 0.1372 0.8069 0.2777 0.072 Uiso 1 1 calc R
C9 C -0.02385(13) 0.6198(3) 0.0995(2) 0.0445(10) Uani 1 1 d .
C10 C -0.04762(16) 0.6954(4) 0.0403(3) 0.0590(12) Uani 1 1 d .
C11 C -0.03146(18) 0.8125(4) 0.0537(3) 0.0804(15) Uani 1 1 d .
H11 H 0.0006 0.8188 0.1051 0.097 Uiso 1 1 calc R
C12 C -0.0233(2) 0.8522(5) 0.0022(3) 0.119(2) Uani 1 1 d .
H12A H 0.0033 0.8102 0.0111 0.178 Uiso 1 1 calc R
H12B H -0.0142 0.9288 0.0115 0.178 Uiso 1 1 calc R
H12C H -0.0537 0.8427 -0.0487 0.178 Uiso 1 1 calc R
C13 C -0.0698(2) 0.8858(4) 0.0460(3) 0.108(2) Uani 1 1 d .
H13A H -0.1007 0.8865 -0.0051 0.163 Uiso 1 1 calc R
H13B H -0.0568 0.9594 0.0614 0.163 Uiso 1 1 calc R
H13C H -0.0760 0.8574 0.0768 0.163 Uiso 1 1 calc R
C14 C -0.08826(17) 0.6594(5) -0.0308(3) 0.0742(14) Uani 1 1 d .
H14 H -0.1043 0.7088 -0.0703 0.089 Uiso 1 1 calc R
C15 C -0.10536(16) 0.5538(5) -0.0445(2) 0.0734(14) Uani 1 1 d .
H15 H -0.1325 0.5311 -0.0929 0.088 Uiso 1 1 calc R
C16 C -0.08223(15) 0.4820(4) 0.0134(2) 0.0607(12) Uani 1 1 d .
H16 H -0.0940 0.4099 0.0043 0.073 Uiso 1 1 calc R
C17 C -0.04180(14) 0.5135(3) 0.0854(2) 0.0465(10) Uani 1 1 d .
C18 C -0.01749(16) 0.4311(3) 0.1473(2) 0.0592(12) Uani 1 1 d .
H18 H 0.0013 0.4724 0.1941 0.071 Uiso 1 1 calc R
C19 C 0.0199(2) 0.3607(5) 0.1524(3) 0.1052(19) Uani 1 1 d .
H19A H 0.0023 0.3143 0.1091 0.158 Uiso 1 1 calc R
H19B H 0.0382 0.3156 0.1963 0.158 Uiso 1 1 calc R
H19C H 0.0430 0.4072 0.1550 0.158 Uiso 1 1 calc R
C20 C -0.05454(18) 0.3584(4) 0.1415(3) 0.0780(14) Uani 1 1 d .
H20A H -0.0793 0.4034 0.1356 0.117 Uiso 1 1 calc R
H20B H -0.0370 0.3149 0.1859 0.117 Uiso 1 1 calc R
H20C H -0.0709 0.3106 0.0991 0.117 Uiso 1 1 calc R
C21 C 0.14575(14) 0.6553(3) 0.2083(2) 0.0501(10) Uani 1 1 d .
C22 C 0.17975(16) 0.5773(4) 0.2615(2) 0.0550(11) Uani 1 1 d .
C23 C 0.16265(17) 0.4796(4) 0.2776(2) 0.0654(12) Uani 1 1 d .
H23 H 0.1269 0.4907 0.2514 0.079 Uiso 1 1 calc R
C24 C 0.1665(2) 0.3755(4) 0.2480(3) 0.1016(18) Uani 1 1 d .
H24A H 0.1463 0.3818 0.1950 0.152 Uiso 1 1 calc R
H24B H 0.1548 0.3146 0.2586 0.152 Uiso 1 1 calc R
H24C H 0.2010 0.3633 0.2713 0.152 Uiso 1 1 calc R
C25 C 0.1901(2) 0.4667(5) 0.3598(3) 0.0993(18) Uani 1 1 d .
H25A H 0.2253 0.4545 0.3872 0.149 Uiso 1 1 calc R
H25B H 0.1765 0.4050 0.3665 0.149 Uiso 1 1 calc R
H25C H 0.1860 0.5325 0.3776 0.149 Uiso 1 1 calc R
C26 C 0.23055(17) 0.5894(4) 0.3007(2) 0.0733(14) Uani 1 1 d .
H26 H 0.2530 0.5364 0.3357 0.088 Uiso 1 1 calc R
C27 C 0.24846(19) 0.6772(5) 0.2893(3) 0.0871(17) Uani 1 1 d .
H27 H 0.2828 0.6837 0.3160 0.104 Uiso 1 1 calc R
C28 C 0.21615(19) 0.7554(4) 0.2387(3) 0.0770(14) Uani 1 1 d .
H28 H 0.2288 0.8158 0.2315 0.092 Uiso 1 1 calc R
C29 C 0.16506(16) 0.7471(4) 0.1979(3) 0.0632(12) Uani 1 1 d .
C30 C 0.13167(18) 0.8388(4) 0.1447(3) 0.0799(15) Uani 1 1 d .
H30 H 0.1008 0.8361 0.1371 0.096 Uiso 1 1 calc R
C31 C 0.1165(3) 0.8207(5) 0.0707(3) 0.132(2) Uani 1 1 d .
H31A H 0.1457 0.8245 0.0756 0.198 Uiso 1 1 calc R
H31B H 0.0928 0.8766 0.0366 0.198 Uiso 1 1 calc R
H31C H 0.1011 0.7495 0.0521 0.198 Uiso 1 1 calc R
C32 C 0.1533(2) 0.9514(5) 0.1732(4) 0.117(2) Uani 1 1 d .
H32A H 0.1636 0.9612 0.2215 0.176 Uiso 1 1 calc R
H32B H 0.1284 1.0056 0.1394 0.176 Uiso 1 1 calc R
H32C H 0.1820 0.9599 0.1771 0.176 Uiso 1 1 calc R
C33 C 0.0573(3) 1.0194(6) 0.2088(5) 0.158(3) Uani 1 1 d .
H33A H 0.0297 1.0641 0.1678 0.190 Uiso 1 1 calc R
H33B H 0.0620 0.9569 0.1886 0.190 Uiso 1 1 calc R
C34 C 0.1037(3) 1.0847(6) 0.2585(5) 0.154(3) Uani 1 1 d .
H34A H 0.1329 1.0402 0.2775 0.184 Uiso 1 1 calc R
H34B H 0.1025 1.1476 0.2323 0.184 Uiso 1 1 calc R
C35 C 0.1061(3) 1.1201(6) 0.3182(6) 0.162(3) Uani 1 1 d .
H35A H 0.0947 1.1957 0.3104 0.194 Uiso 1 1 calc R
H35B H 0.1405 1.1158 0.3655 0.194 Uiso 1 1 calc R
C36 C 0.0739(5) 1.0476(8) 0.3186(8) 0.249(7) Uani 1 1 d .
H36A H 0.0938 1.0011 0.3626 0.299 Uiso 1 1 calc R
H36B H 0.0507 1.0902 0.3187 0.299 Uiso 1 1 calc R
C37 C 0.2819(6) 1.1809(11) 0.4442(14) 0.351(13) Uani 1 1 d .
H37A H 0.3160 1.2095 0.4766 0.422 Uiso 1 1 calc R
H37B H 0.2577 1.2366 0.4318 0.422 Uiso 1 1 calc R
C38 C 0.2759(8) 1.068(2) 0.4680(7) 0.368(12) Uani 1 1 d .
H38A H 0.2913 1.0062 0.4637 0.441 Uiso 1 1 calc R
H38B H 0.2836 1.0682 0.5152 0.441 Uiso 1 1 calc R
C39 C 0.2343(6) 1.084(3) 0.4163(16) 0.409(16) Uani 1 1 d .
H39A H 0.2257 1.1586 0.3968 0.491 Uiso 1 1 calc R
H39B H 0.2094 1.0502 0.4164 0.491 Uiso 1 1 calc R
C40 C 0.2571(6) 1.0096(9) 0.3928(7) 0.242(6) Uani 1 1 d .
H40A H 0.2872 0.9697 0.4333 0.291 Uiso 1 1 calc R
H40B H 0.2332 0.9624 0.3503 0.291 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'
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'
K K 0.2009 0.2494 '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
O1 K1 O1 71.7(2) . 2
O1 K1 N1 99.59(15) . .
O1 K1 N1 148.07(19) 2 .
O1 K1 N1 148.07(19) . 2
O1 K1 N1 99.59(15) 2 2
N1 K1 N1 102.42(12) . 2
O1 K1 C3 152.24(17) . 2
O1 K1 C3 94.94(12) 2 2
N1 K1 C3 78.68(10) . 2
N1 K1 C3 56.33(10) 2 2
O1 K1 C3 94.94(12) . .
O1 K1 C3 152.24(17) 2 .
N1 K1 C3 56.33(10) . .
N1 K1 C3 78.68(10) 2 .
C3 K1 C3 106.38(15) 2 .
O1 K1 C2 77.47(11) . .
O1 K1 C2 148.45(12) 2 .
N1 K1 C2 44.36(9) . .
N1 K1 C2 102.93(9) 2 .
C3 K1 C2 115.91(11) 2 .
C3 K1 C2 24.96(9) . .
O1 K1 C2 148.45(12) . 2
O1 K1 C2 77.47(11) 2 2
N1 K1 C2 102.93(9) . 2
N1 K1 C2 44.36(9) 2 2
C3 K1 C2 24.96(9) 2 2
C3 K1 C2 115.91(11) . 2
C2 K1 C2 133.84(14) . 2
O1 K1 C1 84.41(13) . .
O1 K1 C1 150.53(16) 2 .
N1 K1 C1 20.74(8) . .
N1 K1 C1 109.73(9) 2 .
C3 K1 C1 98.70(10) 2 .
C3 K1 C1 43.70(9) . .
C2 K1 C1 25.19(9) . .
C2 K1 C1 122.07(9) 2 .
O1 K1 C1 150.53(16) . 2
O1 K1 C1 84.41(13) 2 2
N1 K1 C1 109.73(9) . 2
N1 K1 C1 20.74(8) 2 2
C3 K1 C1 43.70(9) 2 2
C3 K1 C1 98.70(10) . 2
C2 K1 C1 122.07(9) . 2
C2 K1 C1 25.19(9) 2 2
C1 K1 C1 123.02(12) . 2
C16 K2 C16 180.00(12) 5_565 .
C16 K2 P1 96.14(8) 5_565 5_565
C16 K2 P1 83.86(8) . 5_565
C16 K2 P1 83.86(8) 5_565 .
C16 K2 P1 96.14(8) . .
P1 K2 P1 180.00(4) 5_565 .
C16 K2 C15 24.80(10) 5_565 5_565
C16 K2 C15 155.20(10) . 5_565
P1 K2 C15 103.08(10) 5_565 5_565
P1 K2 C15 76.92(10) . 5_565
C16 K2 C15 155.20(10) 5_565 .
C16 K2 C15 24.80(10) . .
P1 K2 C15 76.92(10) 5_565 .
P1 K2 C15 103.07(10) . .
C15 K2 C15 180.00(15) 5_565 .
C16 K2 C17 25.01(9) 5_565 5_565
C16 K2 C17 154.99(9) . 5_565
P1 K2 C17 72.17(7) 5_565 5_565
P1 K2 C17 107.83(7) . 5_565
C15 K2 C17 43.77(10) 5_565 5_565
C15 K2 C17 136.23(10) . 5_565
C16 K2 C17 154.99(9) 5_565 .
C16 K2 C17 25.01(9) . .
P1 K2 C17 107.83(7) 5_565 .
P1 K2 C17 72.17(7) . .
C15 K2 C17 136.23(10) 5_565 .
C15 K2 C17 43.77(10) . .
C17 K2 C17 180.00(17) 5_565 .
C16 K2 C14 42.53(11) 5_565 5_565
C16 K2 C14 137.47(11) . 5_565
P1 K2 C14 86.16(10) 5_565 5_565
P1 K2 C14 93.84(10) . 5_565
C15 K2 C14 24.06(11) 5_565 5_565
C15 K2 C14 155.94(11) . 5_565
C17 K2 C14 49.60(10) 5_565 5_565
C17 K2 C14 130.40(10) . 5_565
C16 K2 C14 137.47(11) 5_565 .
C16 K2 C14 42.53(11) . .
P1 K2 C14 93.84(10) 5_565 .
P1 K2 C14 86.16(10) . .
C15 K2 C14 155.94(11) 5_565 .
C15 K2 C14 24.06(11) . .
C17 K2 C14 130.40(10) 5_565 .
C17 K2 C14 49.60(10) . .
C14 K2 C14 180.00(14) 5_565 .
C16 K2 C9 43.10(10) 5_565 5_565
C16 K2 C9 136.90(10) . 5_565
P1 K2 C9 54.36(7) 5_565 5_565
P1 K2 C9 125.64(7) . 5_565
C15 K2 C9 50.22(11) 5_565 5_565
C15 K2 C9 129.78(11) . 5_565
C17 K2 C9 24.20(9) 5_565 5_565
C17 K2 C9 155.80(9) . 5_565
C14 K2 C9 42.25(10) 5_565 5_565
C14 K2 C9 137.75(10) . 5_565
C16 K2 C9 136.90(10) 5_565 .
C16 K2 C9 43.10(10) . .
P1 K2 C9 125.64(7) 5_565 .
P1 K2 C9 54.36(7) . .
C15 K2 C9 129.78(11) 5_565 .
C15 K2 C9 50.22(11) . .
C17 K2 C9 155.80(9) 5_565 .
C17 K2 C9 24.20(9) . .
C14 K2 C9 137.75(10) 5_565 .
C14 K2 C9 42.25(10) . .
C9 K2 C9 180.00(15) 5_565 .
C1 P1 C21 107.59(17) . .
C1 P1 K2 115.75(13) . .
C21 P1 K2 131.66(12) . .
C36 O1 C33 110.7(6) . .
C36 O1 K1 116.5(6) . .
C33 O1 K1 132.0(5) . .
C40 O2 C37 99.5(11) . .
C1 N1 C9 119.5(3) . .
C1 N1 K1 109.8(2) . .
C9 N1 K1 124.7(2) . .
N1 C1 C2 112.4(3) . .
N1 C1 P1 123.2(3) . .
C2 C1 P1 124.4(3) . .
N1 C1 K1 49.51(19) . .
C2 C1 K1 68.61(18) . .
P1 C1 K1 155.35(17) . .
C8 C2 C3 117.2(4) . .
C8 C2 C1 123.0(3) . .
C3 C2 C1 119.7(3) . .
C8 C2 K1 110.8(2) . .
C3 C2 K1 72.3(2) . .
C1 C2 K1 86.2(2) . .
C4 C3 C2 121.3(4) . .
C4 C3 K1 106.0(3) . .
C2 C3 K1 82.7(2) . .
C5 C4 C3 121.0(4) . .
C4 C5 C7 118.1(4) . .
C4 C5 C6 121.5(5) . .
C7 C5 C6 120.3(5) . .
C5 C7 C8 121.2(4) . .
C2 C8 C7 121.1(4) . .
C17 C9 C10 119.4(4) . .
C17 C9 N1 119.9(3) . .
C10 C9 N1 120.3(4) . .
C17 C9 K2 73.1(2) . .
C10 C9 K2 80.3(2) . .
N1 C9 K2 122.8(2) . .
C14 C10 C9 118.4(4) . .
C14 C10 C11 120.4(4) . .
C9 C10 C11 121.2(4) . .
C14 C10 K2 74.9(3) . .
C9 C10 K2 75.6(2) . .
C11 C10 K2 122.5(3) . .
C10 C11 C12 112.5(5) . .
C10 C11 C13 110.3(4) . .
C12 C11 C13 110.3(4) . .
C15 C14 C10 121.9(4) . .
C15 C14 K2 73.0(3) . .
C10 C14 K2 81.4(3) . .
C16 C15 C14 119.0(4) . .
C16 C15 K2 75.2(2) . .
C14 C15 K2 83.0(3) . .
C15 C16 C17 121.5(4) . .
C15 C16 K2 80.0(2) . .
C17 C16 K2 80.8(2) . .
C16 C17 C9 119.8(4) . .
C16 C17 C18 119.5(4) . .
C9 C17 C18 120.8(4) . .
C16 C17 K2 74.2(2) . .
C9 C17 K2 82.7(2) . .
C18 C17 K2 112.8(2) . .
C17 C18 C20 113.7(4) . .
C17 C18 C19 111.0(3) . .
C20 C18 C19 109.7(4) . .
C22 C21 C29 118.1(4) . .
C22 C21 P1 123.3(3) . .
C29 C21 P1 118.5(3) . .
C26 C22 C21 120.0(4) . .
C26 C22 C23 118.5(4) . .
C21 C22 C23 121.5(4) . .
C22 C23 C24 111.6(4) . .
C22 C23 C25 113.1(4) . .
C24 C23 C25 110.1(4) . .
C27 C26 C22 121.2(5) . .
C26 C27 C28 119.9(4) . .
C27 C28 C29 121.2(5) . .
C28 C29 C21 119.6(4) . .
C28 C29 C30 118.3(4) . .
C21 C29 C30 122.1(4) . .
C31 C30 C32 110.6(4) . .
C31 C30 C29 111.1(4) . .
C32 C30 C29 114.3(5) . .
O1 C33 C34 104.5(7) . .
C35 C34 C33 105.4(6) . .
C34 C35 C36 107.1(8) . .
O1 C36 C35 107.0(8) . .
C38 C37 O2 81.8(9) . .
C39 C38 C37 81(2) . .
C38 C39 C40 71.7(16) . .
O2 C40 C39 82.5(13) . .
loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_site_symmetry_2
K1 O1 2.772(5) .
K1 O1 2.772(5) 2
K1 N1 2.844(3) .
K1 N1 2.844(3) 2
K1 C3 3.154(4) 2
K1 C3 3.154(4) .
K1 C2 3.284(3) .
K1 C2 3.284(3) 2
K1 C1 3.519(4) .
K1 C1 3.519(4) 2
K2 C16 3.166(4) 5_565
K2 C16 3.166(4) .
K2 P1 3.1965(12) 5_565
K2 P1 3.1965(12) .
K2 C15 3.225(4) 5_565
K2 C15 3.225(4) .
K2 C17 3.248(3) 5_565
K2 C17 3.248(3) .
K2 C14 3.348(5) 5_565
K2 C14 3.348(5) .
K2 C9 3.368(4) 5_565
K2 C9 3.368(4) .
P1 C1 1.767(4) .
P1 C21 1.841(4) .
O1 C36 1.397(11) .
O1 C33 1.432(8) .
O2 C40 1.399(13) .
O2 C37 1.606(19) .
N1 C1 1.324(4) .
N1 C9 1.424(5) .
C1 C2 1.501(5) .
C2 C8 1.383(5) .
C2 C3 1.397(5) .
C3 C4 1.387(6) .
C4 C5 1.379(6) .
C5 C7 1.379(6) .
C5 C6 1.523(6) .
C7 C8 1.394(6) .
C9 C17 1.392(5) .
C9 C10 1.420(5) .
C10 C14 1.398(6) .
C10 C11 1.501(6) .
C11 C12 1.531(6) .
C11 C13 1.542(7) .
C14 C15 1.375(6) .
C15 C16 1.374(6) .
C16 C17 1.391(5) .
C17 C18 1.514(5) .
C18 C20 1.522(5) .
C18 C19 1.525(6) .
C21 C22 1.406(5) .
C21 C29 1.427(5) .
C22 C26 1.393(6) .
C22 C23 1.508(6) .
C23 C24 1.514(6) .
C23 C25 1.531(6) .
C26 C27 1.369(6) .
C27 C28 1.372(6) .
C28 C29 1.391(6) .
C29 C30 1.520(6) .
C30 C31 1.501(7) .
C30 C32 1.508(7) .
C33 C34 1.484(9) .
C34 C35 1.452(9) .
C35 C36 1.461(10) .
C37 C38 1.56(2) .
C38 C39 1.16(2) .
C39 C40 1.56(2) .
