#------------------------------------------------------------------------------
#$Date: 2016-03-23 02:49:54 +0200 (Wed, 23 Mar 2016) $
#$Revision: 179209 $
#$URL: svn://www.crystallography.net/cod/cif/4/31/40/4314051.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_4314051
loop_
_publ_author_name
'Timothy J. Boyle'
'Nicholas L. Andrews'
'Mark A. Rodriguez'
'Charles Campana'
'Timothy Yiu'
_publ_section_title
;
 Structural Variations of Potassium Aryloxides
;
_journal_name_full               'Inorganic Chemistry'
_journal_page_first              5357
_journal_page_last               5366
_journal_paper_doi               10.1021/ic034222k
_journal_volume                  42
_journal_year                    2003
_chemical_formula_sum            'C26 H28 K2 N2 O2'
_chemical_formula_weight         478.70
_chemical_name_common            K2(DMP)2(Py)2
_chemical_name_systematic
; 
 ? 
;
_space_group_IT_number           2
_symmetry_cell_setting           triclinic
_symmetry_space_group_name_Hall  '-P 1'
_symmetry_space_group_name_H-M   'P -1'
_atom_sites_solution_hydrogens   geom
_atom_sites_solution_primary     direct
_atom_sites_solution_secondary   difmap
_audit_creation_method           SHELXL-97
_cell_angle_alpha                117.927(3)
_cell_angle_beta                 108.854(3)
_cell_angle_gamma                98.180(3)
_cell_formula_units_Z            2
_cell_length_a                   11.485(2)
_cell_length_b                   11.844(2)
_cell_length_c                   12.012(2)
_cell_measurement_temperature    168(2)
_cell_volume                     1279.2(4)
_computing_cell_refinement       'Bruker SMART'
_computing_data_collection       'Bruker SMART'
_computing_data_reduction        'Bruker SHELXTL'
_computing_molecular_graphics    'Bruker SHELXTL'
_computing_publication_material  'Bruker SHELXTL'
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 1997)'
_computing_structure_solution    'SHELXS-97 (Sheldrick, 1990)'
_diffrn_ambient_temperature      168(2)
_diffrn_measured_fraction_theta_full 0.899
_diffrn_measured_fraction_theta_max 0.899
_diffrn_measurement_device_type  'CCD area detector'
_diffrn_measurement_method       'phi and omega scans'
_diffrn_radiation_monochromator  graphite
_diffrn_radiation_source         'fine-focus sealed tube'
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_reflns_av_R_equivalents  0.0165
_diffrn_reflns_av_sigmaI/netI    0.0240
_diffrn_reflns_limit_h_max       15
_diffrn_reflns_limit_h_min       -15
_diffrn_reflns_limit_k_max       15
_diffrn_reflns_limit_k_min       -15
_diffrn_reflns_limit_l_max       15
_diffrn_reflns_limit_l_min       -15
_diffrn_reflns_number            11005
_diffrn_reflns_theta_full        28.38
_diffrn_reflns_theta_max         28.38
_diffrn_reflns_theta_min         2.00
_exptl_absorpt_coefficient_mu    0.394
_exptl_absorpt_correction_type   'SADABS (V2.03)'
_exptl_crystal_colour            colorless
_exptl_crystal_density_diffrn    1.243
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       sphere
_exptl_crystal_F_000             504
_exptl_crystal_size_max          0.35
_exptl_crystal_size_min          0.30
_refine_diff_density_max         0.456
_refine_diff_density_min         -0.220
_refine_diff_density_rms         0.038
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.020
_refine_ls_hydrogen_treatment    mixed
_refine_ls_matrix_type           full
_refine_ls_number_parameters     337
_refine_ls_number_reflns         5763
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      1.020
_refine_ls_R_factor_all          0.0404
_refine_ls_R_factor_gt           0.0317
_refine_ls_shift/su_max          0.003
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'calc w=1/[σ²(Fo²)+(0.0407P)²+0.3572P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0812
_refine_ls_wR_factor_ref         0.0868
_reflns_number_gt                4805
_reflns_number_total             5763
_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            ic034222ksi20030227_032620_08.cif
_cod_data_source_block           mar073p
_cod_depositor_comments
;
The following automatic conversions were performed:

'_symmetry_cell_setting' value 'Triclinic' changed to 'triclinic'
according to the built-in table from CIF Core dictionary named
'cif_core.dic' version 2.4.1 from 2010-06-29.

Automatic conversion script
Id: cif_fix_values 1646 2011-03-28 12:23:43Z adriana 
;
_cod_database_code               4314051
loop_
_symmetry_equiv_pos_as_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_symmetry_multiplicity
_atom_site_calc_flag
_atom_site_refinement_flags
_atom_site_disorder_assembly
_atom_site_disorder_group
K1 K 0.69379(3) 0.61851(3) 0.45455(3) 0.03213(8) Uani 1 1 d . . .
K2 K 0.45227(3) 0.61656(3) 0.19293(3) 0.03694(9) Uani 1 1 d . . .
N1 N 0.92172(15) 0.84932(15) 0.70560(16) 0.0576(4) Uani 1 1 d . . .
N2 N 0.67899(13) 0.85513(13) 0.41348(14) 0.0439(3) Uani 1 1 d . . .
O1 O 0.64602(10) 0.52936(11) 0.18964(10) 0.0394(2) Uani 1 1 d . . .
O2 O 0.45309(10) 0.61442(11) 0.40360(10) 0.0399(2) Uani 1 1 d . . .
C1 C 0.66280(14) 0.42553(14) 0.09868(14) 0.0333(3) Uani 1 1 d . . .
C2 C 0.56296(15) 0.29322(16) 0.00818(15) 0.0387(3) Uani 1 1 d . . .
H2A H 0.3864(19) 0.182(2) -0.033(2) 0.056(5) Uiso 1 1 d . . .
H2B H 0.3817(19) 0.320(2) -0.022(2) 0.060(5) Uiso 1 1 d . . .
H2C H 0.4475(18) 0.3230(19) 0.118(2) 0.055(5) Uiso 1 1 d . . .
C3 C 0.58178(17) 0.18420(16) -0.09041(17) 0.0451(4) Uani 1 1 d . . .
H3 H 0.5149 0.0966 -0.1482 0.054 Uiso 1 1 calc R . .
C4 C 0.69595(18) 0.20046(17) -0.10629(17) 0.0484(4) Uani 1 1 d . . .
H4 H 0.7072 0.1252 -0.1748 0.058 Uiso 1 1 calc R . .
C5 C 0.79351(16) 0.32832(17) -0.02059(17) 0.0449(4) Uani 1 1 d . . .
H5 H 0.8718 0.3399 -0.0316 0.054 Uiso 1 1 calc R . .
C6 C 0.78002(14) 0.44029(15) 0.08117(15) 0.0373(3) Uani 1 1 d . . .
H6A H 0.963(2) 0.580(2) 0.161(2) 0.072(6) Uiso 1 1 d . . .
H6B H 0.853(2) 0.647(2) 0.151(2) 0.067(6) Uiso 1 1 d . . .
H6C H 0.911(2) 0.612(2) 0.268(2) 0.072(6) Uiso 1 1 d . . .
C7 C 0.43499(19) 0.2775(2) 0.0179(2) 0.0522(4) Uani 1 1 d . . .
C8 C 0.88438(17) 0.57939(19) 0.1709(2) 0.0496(4) Uani 1 1 d . . .
C9 C 0.37175(13) 0.61389(13) 0.45727(14) 0.0302(3) Uani 1 1 d . . .
C10 C 0.41527(14) 0.69377(14) 0.60581(15) 0.0343(3) Uani 1 1 d . . .
C11 C 0.32636(17) 0.69279(16) 0.66077(17) 0.0432(3) Uani 1 1 d . . .
H11 H 0.3567 0.7467 0.7599 0.052 Uiso 1 1 calc R . .
C12 C 0.19388(17) 0.61486(17) 0.5743(2) 0.0481(4) Uani 1 1 d . . .
H12 H 0.1343 0.6141 0.6137 0.058 Uiso 1 1 calc R . .
C13 C 0.14990(15) 0.53837(15) 0.43009(18) 0.0413(3) Uani 1 1 d . . .
H13 H 0.0590 0.4864 0.3706 0.050 Uiso 1 1 calc R . .
C14 C 0.23540(13) 0.53565(13) 0.37019(15) 0.0330(3) Uani 1 1 d . . .
H14A H 0.098(2) 0.392(2) 0.165(2) 0.072(6) Uiso 1 1 d . . .
H14B H 0.2427(19) 0.397(2) 0.183(2) 0.057(5) Uiso 1 1 d . . .
H14C H 0.1839(18) 0.5129(19) 0.175(2) 0.055(5) Uiso 1 1 d . . .
C15 C 0.55847(18) 0.7790(2) 0.69843(18) 0.0505(4) Uani 1 1 d . . .
H15A H 0.5788(18) 0.8458(19) 0.803(2) 0.057(5) Uiso 1 1 d . . .
H15B H 0.617(2) 0.722(2) 0.698(2) 0.060(6) Uiso 1 1 d . . .
H15C H 0.5876(19) 0.833(2) 0.667(2) 0.065(6) Uiso 1 1 d . . .
C16 C 0.18718(17) 0.45400(18) 0.21325(17) 0.0464(4) Uani 1 1 d . . .
C17 C 1.0282(2) 0.83869(18) 0.7821(2) 0.0605(5) Uani 1 1 d . . .
H17 H 1.0339 0.7504 0.7490 0.073 Uiso 1 1 calc R . .
C18 C 1.12988(18) 0.9471(2) 0.9057(2) 0.0575(5) Uani 1 1 d . . .
H18 H 1.2038 0.9337 0.9554 0.069 Uiso 1 1 calc R . .
C19 C 1.12278(17) 1.07353(18) 0.95532(19) 0.0521(4) Uani 1 1 d . . .
H19 H 1.1910 1.1505 1.0412 0.063 Uiso 1 1 calc R . .
C20 C 1.01508(19) 1.08775(18) 0.8788(2) 0.0568(4) Uani 1 1 d . . .
H20 H 1.0077 1.1752 0.9102 0.068 Uiso 1 1 calc R . .
C21 C 0.91790(18) 0.9738(2) 0.75630(19) 0.0582(5) Uani 1 1 d . . .
H21 H 0.8434 0.9853 0.7048 0.070 Uiso 1 1 calc R . .
C22 C 0.76983(18) 0.87929(17) 0.37450(18) 0.0485(4) Uani 1 1 d . . .
H22 H 0.7946 0.8059 0.3225 0.058 Uiso 1 1 calc R . .
C23 C 0.8304(2) 1.0079(2) 0.4067(2) 0.0706(6) Uani 1 1 d . . .
H23 H 0.8958 1.0233 0.3781 0.085 Uiso 1 1 calc R . .
C24 C 0.7916(2) 1.11406(19) 0.4829(2) 0.0751(7) Uani 1 1 d . . .
H24 H 0.8307 1.2039 0.5077 0.090 Uiso 1 1 calc R . .
C25 C 0.6978(3) 1.0865(2) 0.5205(2) 0.0717(6) Uani 1 1 d . . .
H25 H 0.6689 1.1564 0.5710 0.086 Uiso 1 1 calc R . .
C26 C 0.6462(2) 0.9592(2) 0.4856(2) 0.0571(5) Uani 1 1 d . . .
H26 H 0.5816 0.9424 0.5146 0.069 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'
O O 0.0106 0.0060 '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'
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
O2 K1 O1 91.89(3) . . ?
O2 K1 N1 121.98(4) . . ?
O1 K1 N1 125.43(4) . . ?
O2 K1 N2 75.25(4) . . ?
O1 K1 N2 71.78(4) . . ?
N1 K1 N2 77.14(5) . . ?
O2 K1 C12 128.87(4) . 2_666 ?
O1 K1 C12 88.17(4) . 2_666 ?
N1 K1 C12 98.23(5) . 2_666 ?
N2 K1 C12 150.02(4) . 2_666 ?
O2 K1 C11 104.85(4) . 2_666 ?
O1 K1 C11 80.31(4) . 2_666 ?
N1 K1 C11 122.27(5) . 2_666 ?
N2 K1 C11 152.06(4) . 2_666 ?
C12 K1 C11 25.22(5) 2_666 2_666 ?
O2 K1 C13 129.40(4) . 2_666 ?
O1 K1 C13 112.64(4) . 2_666 ?
N1 K1 C13 79.46(5) . 2_666 ?
N2 K1 C13 153.08(4) . 2_666 ?
C12 K1 C13 25.10(4) 2_666 2_666 ?
C11 K1 C13 43.58(4) 2_666 2_666 ?
O2 K1 C14 107.11(3) . 2_666 ?
O1 K1 C14 129.50(4) . 2_666 ?
N1 K1 C14 83.24(5) . 2_666 ?
N2 K1 C14 157.64(4) . 2_666 ?
C12 K1 C14 43.48(4) 2_666 2_666 ?
C11 K1 C14 49.95(4) 2_666 2_666 ?
C13 K1 C14 24.20(4) 2_666 2_666 ?
O2 K1 C10 85.78(4) . 2_666 ?
O1 K1 C10 95.53(3) . 2_666 ?
N1 K1 C10 125.50(5) . 2_666 ?
N2 K1 C10 156.50(4) . 2_666 ?
C12 K1 C10 43.48(4) 2_666 2_666 ?
C11 K1 C10 24.14(4) 2_666 2_666 ?
C13 K1 C10 49.90(4) 2_666 2_666 ?
C14 K1 C10 42.41(3) 2_666 2_666 ?
O2 K1 K2 47.16(2) . . ?
O1 K1 K2 48.07(2) . . ?
N1 K1 K2 128.69(4) . . ?
N2 K1 K2 51.77(3) . . ?
C12 K1 K2 127.59(4) 2_666 . ?
C11 K1 K2 107.32(3) 2_666 . ?
C13 K1 K2 150.87(3) 2_666 . ?
C14 K1 K2 145.02(3) 2_666 . ?
C10 K1 K2 104.98(3) 2_666 . ?
O2 K1 C9 86.76(3) . 2_666 ?
O1 K1 C9 119.60(3) . 2_666 ?
N1 K1 C9 105.00(5) . 2_666 ?
N2 K1 C9 159.40(4) . 2_666 ?
C12 K1 C9 50.57(4) 2_666 2_666 ?
C11 K1 C9 42.71(4) 2_666 2_666 ?
C13 K1 C9 42.68(3) 2_666 2_666 ?
C14 K1 C9 24.05(3) 2_666 2_666 ?
C10 K1 C9 24.11(3) 2_666 2_666 ?
K2 K1 C9 121.00(3) . 2_666 ?
O2 K2 O1 95.58(3) . . ?
O2 K2 N2 80.45(4) . . ?
O1 K2 N2 76.58(4) . . ?
O2 K2 C2 161.07(4) . 2_665 ?
O1 K2 C2 98.61(4) . 2_665 ?
N2 K2 C2 90.72(4) . 2_665 ?
O2 K2 C1 157.79(4) . 2_665 ?
O1 K2 C1 101.06(4) . 2_665 ?
N2 K2 C1 117.59(4) . 2_665 ?
C2 K2 C1 27.03(4) 2_665 2_665 ?
O2 K2 C3 135.19(4) . 2_665 ?
O1 K2 C3 117.30(4) . 2_665 ?
N2 K2 C3 78.87(4) . 2_665 ?
C2 K2 C3 25.88(4) 2_665 2_665 ?
C1 K2 C3 46.31(4) 2_665 2_665 ?
O2 K2 C6 131.86(4) . 2_665 ?
O1 K2 C6 123.61(4) . 2_665 ?
N2 K2 C6 131.10(4) . 2_665 ?
C2 K2 C6 46.06(4) 2_665 2_665 ?
C1 K2 C6 26.29(4) 2_665 2_665 ?
C3 K2 C6 52.25(4) 2_665 2_665 ?
O2 K2 C5 117.05(4) . 2_665 ?
O1 K2 C5 146.23(4) . 2_665 ?
N2 K2 C5 115.32(4) . 2_665 ?
C2 K2 C5 52.12(4) 2_665 2_665 ?
C1 K2 C5 45.17(4) 2_665 2_665 ?
C3 K2 C5 43.58(5) 2_665 2_665 ?
C6 K2 C5 24.87(4) 2_665 2_665 ?
O2 K2 C4 118.00(4) . 2_665 ?
O1 K2 C4 141.91(4) . 2_665 ?
N2 K2 C4 91.00(5) . 2_665 ?
C2 K2 C4 44.93(4) 2_665 2_665 ?
C1 K2 C4 53.05(4) 2_665 2_665 ?
C3 K2 C4 24.82(4) 2_665 2_665 ?
C6 K2 C4 44.16(4) 2_665 2_665 ?
C5 K2 C4 24.46(4) 2_665 2_665 ?
O2 K2 K1 49.13(3) . . ?
O1 K2 K1 50.03(2) . . ?
N2 K2 K1 57.63(3) . . ?
C2 K2 K1 137.31(3) 2_665 . ?
C1 K2 K1 150.72(3) 2_665 . ?
C3 K2 K1 135.95(3) 2_665 . ?
C6 K2 K1 170.06(3) 2_665 . ?
C5 K2 K1 163.35(3) 2_665 . ?
C4 K2 K1 145.78(3) 2_665 . ?
O2 K2 C7 92.03(4) . . ?
O1 K2 C7 52.88(4) . . ?
N2 K2 C7 128.01(4) . . ?
C2 K2 C7 106.51(5) 2_665 . ?
C1 K2 C7 86.47(4) 2_665 . ?
C3 K2 C7 131.65(5) 2_665 . ?
C6 K2 C7 91.37(4) 2_665 . ?
C5 K2 C7 113.79(5) 2_665 . ?
C4 K2 C7 135.45(5) 2_665 . ?
K1 K2 C7 78.71(4) . . ?
O2 K2 C16 52.63(4) . . ?
O1 K2 C16 121.70(4) . . ?
N2 K2 C16 128.94(4) . . ?
C2 K2 C16 126.74(4) 2_665 . ?
C1 K2 C16 105.57(4) 2_665 . ?
C3 K2 C16 118.70(5) 2_665 . ?
C6 K2 C16 81.39(4) 2_665 . ?
C5 K2 C16 76.96(5) 2_665 . ?
C4 K2 C16 94.24(5) 2_665 . ?
K1 K2 C16 95.94(3) . . ?
C7 K2 C16 78.03(4) . . ?
C21 N1 C17 115.68(15) . . ?
C21 N1 K1 119.23(12) . . ?
C17 N1 K1 124.85(12) . . ?
C22 N2 C26 117.50(15) . . ?
C22 N2 K2 113.73(11) . . ?
C26 N2 K2 111.80(12) . . ?
C22 N2 K1 108.14(10) . . ?
C26 N2 K1 126.12(11) . . ?
K2 N2 K1 70.60(3) . . ?
C1 O1 K2 135.48(9) . . ?
C1 O1 K1 130.18(8) . . ?
K2 O1 K1 81.90(3) . . ?
C9 O2 K2 136.73(9) . . ?
C9 O2 K1 139.56(8) . . ?
K2 O2 K1 83.71(3) . . ?
O1 C1 C6 121.24(13) . . ?
O1 C1 C2 121.55(13) . . ?
C6 C1 C2 117.16(13) . . ?
O1 C1 K2 111.24(8) . 2_665 ?
C6 C1 K2 81.21(8) . 2_665 ?
C2 C1 K2 74.92(7) . 2_665 ?
C3 C2 C1 120.65(14) . . ?
C3 C2 C7 121.23(15) . . ?
C1 C2 C7 118.04(14) . . ?
C3 C2 K2 81.65(9) . 2_665 ?
C1 C2 K2 78.04(8) . 2_665 ?
C7 C2 K2 108.04(10) . 2_665 ?
C4 C3 C2 121.41(15) . . ?
C4 C3 K2 82.53(9) . 2_665 ?
C2 C3 K2 72.47(8) . 2_665 ?
C3 C4 C5 118.88(15) . . ?
C3 C4 K2 72.65(9) . 2_665 ?
C5 C4 K2 77.76(9) . 2_665 ?
C4 C5 C6 121.83(15) . . ?
C4 C5 K2 77.78(9) . 2_665 ?
C6 C5 K2 74.16(8) . 2_665 ?
C5 C6 C1 120.06(14) . . ?
C5 C6 C8 121.59(14) . . ?
C1 C6 C8 118.31(13) . . ?
C5 C6 K2 80.97(9) . 2_665 ?
C1 C6 K2 72.50(8) . 2_665 ?
C8 C6 K2 115.14(11) . 2_665 ?
C2 C7 K2 101.06(11) . . ?
O2 C9 C14 121.25(12) . . ?
O2 C9 C10 121.19(12) . . ?
C14 C9 C10 117.55(12) . . ?
O2 C9 K1 121.64(9) . 2_666 ?
C14 C9 K1 74.64(7) . 2_666 ?
C10 C9 K1 74.69(7) . 2_666 ?
C11 C10 C9 120.20(14) . . ?
C11 C10 C15 121.84(14) . . ?
C9 C10 C15 117.96(13) . . ?
C11 C10 K1 71.62(8) . 2_666 ?
C9 C10 K1 81.20(8) . 2_666 ?
C15 C10 K1 118.93(10) . 2_666 ?
C10 C11 C12 121.49(15) . . ?
C10 C11 K1 84.24(9) . 2_666 ?
C12 C11 K1 74.21(9) . 2_666 ?
C13 C12 C11 118.99(14) . . ?
C13 C12 K1 80.75(9) . 2_666 ?
C11 C12 K1 80.57(9) . 2_666 ?
C12 C13 C14 121.58(14) . . ?
C12 C13 K1 74.15(9) . 2_666 ?
C14 C13 K1 84.01(8) . 2_666 ?
C13 C14 C9 120.18(14) . . ?
C13 C14 C16 121.53(14) . . ?
C9 C14 C16 118.28(13) . . ?
C13 C14 K1 71.79(8) . 2_666 ?
C9 C14 K1 81.31(8) . 2_666 ?
C16 C14 K1 119.22(10) . 2_666 ?
C14 C16 K2 99.65(9) . . ?
N1 C17 C18 124.21(17) . . ?
C19 C18 C17 118.71(17) . . ?
C18 C19 C20 118.43(16) . . ?
C19 C20 C21 119.03(17) . . ?
N1 C21 C20 123.94(17) . . ?
N2 C22 C23 122.40(17) . . ?
C22 C23 C24 117.65(19) . . ?
C25 C24 C23 118.81(18) . . ?
C26 C25 C24 119.04(19) . . ?
N2 C26 C25 124.6(2) . . ?
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 O2 2.6191(12) . ?
K1 O1 2.6648(12) . ?
K1 N1 2.9257(15) . ?
K1 N2 3.0826(15) . ?
K1 C12 3.1353(17) 2_666 ?
K1 C11 3.2143(17) 2_666 ?
K1 C13 3.2168(16) 2_666 ?
K1 C14 3.3680(14) 2_666 ?
K1 C10 3.3698(15) 2_666 ?
K1 K2 3.4426(7) . ?
K1 C9 3.4526(14) 2_666 ?
K2 O2 2.5396(11) . ?
K2 O1 2.5871(11) . ?
K2 N2 2.8668(15) . ?
K2 C2 3.0341(14) 2_665 ?
K2 C1 3.0740(14) 2_665 ?
K2 C3 3.1482(16) 2_665 ?
K2 C6 3.1854(15) 2_665 ?
K2 C5 3.2700(16) 2_665 ?
K2 C4 3.2703(17) 2_665 ?
K2 C7 3.490(2) . ?
K2 C16 3.506(2) . ?
N1 C21 1.320(2) . ?
N1 C17 1.335(3) . ?
N2 C22 1.321(2) . ?
N2 C26 1.324(2) . ?
O1 C1 1.2993(17) . ?
O2 C9 1.2962(16) . ?
C1 C6 1.427(2) . ?
C1 C2 1.428(2) . ?
C1 K2 3.0740(14) 2_665 ?
C2 C3 1.389(2) . ?
C2 C7 1.504(2) . ?
C2 K2 3.0341(14) 2_665 ?
C3 C4 1.385(2) . ?
C3 K2 3.1482(16) 2_665 ?
C4 C5 1.386(2) . ?
C4 K2 3.2703(17) 2_665 ?
C5 C6 1.393(2) . ?
C5 K2 3.2700(16) 2_665 ?
C6 C8 1.501(2) . ?
C6 K2 3.1854(15) 2_665 ?
C9 C14 1.4232(19) . ?
C9 C10 1.4270(19) . ?
C9 K1 3.4526(14) 2_666 ?
C10 C11 1.385(2) . ?
C10 C15 1.502(2) . ?
C10 K1 3.3698(15) 2_666 ?
C11 C12 1.388(2) . ?
C11 K1 3.2143(17) 2_666 ?
C12 C13 1.383(2) . ?
C12 K1 3.1353(17) 2_666 ?
C13 C14 1.388(2) . ?
C13 K1 3.2168(16) 2_666 ?
C14 C16 1.504(2) . ?
C14 K1 3.3680(14) 2_666 ?
C17 C18 1.372(3) . ?
C18 C19 1.354(3) . ?
C19 C20 1.368(3) . ?
C20 C21 1.372(3) . ?
C22 C23 1.387(3) . ?
C23 C24 1.400(3) . ?
C24 C25 1.350(3) . ?
C25 C26 1.339(3) . ?
