#------------------------------------------------------------------------------
#$Date: 2016-03-25 15:19:47 +0200 (Fri, 25 Mar 2016) $
#$Revision: 179917 $
#$URL: svn://www.crystallography.net/cod/cif/7/02/12/7021292.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_7021292
loop_
_publ_author_name
'Vasudevan, Kalyan V.'
'Smythe, Nathan C.'
'Scott, Brian L.'
'Gordon, John C.'
_publ_section_title
;
 Metallopolymer formation using the
 (1R,2R)-N,N'-bis(pyridylmethylene)cyclohexane-1,2-diamine (BPID) ligand
 class.
;
_journal_issue                   14
_journal_name_full
'Dalton transactions (Cambridge, England : 2003)'
_journal_page_first              4768
_journal_page_last               4771
_journal_paper_doi               10.1039/c3dt50327e
_journal_volume                  42
_journal_year                    2013
_chemical_formula_sum            'C30 H42 K2 N4 O3'
_chemical_formula_weight         584.88
_chemical_name_systematic
;
?
;
_space_group_IT_number           14
_symmetry_cell_setting           monoclinic
_symmetry_space_group_name_Hall  '-P 2ybc'
_symmetry_space_group_name_H-M   'P 1 21/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                 98.3200(10)
_cell_angle_gamma                90.00
_cell_formula_units_Z            4
_cell_length_a                   7.3294(5)
_cell_length_b                   17.2843(13)
_cell_length_c                   24.3967(18)
_cell_measurement_temperature    120(1)
_cell_volume                     3058.1(4)
_computing_cell_refinement       'SAINT+, v. 7.66a (Bruker AXS, 2009)'
_computing_data_collection       'APEX II, v. 7.0 (Bruker AXS, 2009)'
_computing_data_reduction        'SAINT+, v. 7.66a (Bruker AXS, 2009)'
_computing_molecular_graphics    'SHELXTL, v. 6.14, (Bruker AXS, 2000)'
_computing_publication_material  'SHELXTL, v. 6.14, (Bruker AXS, 2000)'
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 1997)'
_computing_structure_solution    'SHELXS-97 (Sheldrick, 1990)'
_diffrn_ambient_temperature      120(1)
_diffrn_measured_fraction_theta_full 1.000
_diffrn_measured_fraction_theta_max 0.989
_diffrn_measurement_device_type  'Bruker D8 with APEXII CCD'
_diffrn_measurement_method       'ω 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  0.0628
_diffrn_reflns_av_sigmaI/netI    0.0482
_diffrn_reflns_limit_h_max       9
_diffrn_reflns_limit_h_min       -9
_diffrn_reflns_limit_k_max       22
_diffrn_reflns_limit_k_min       -22
_diffrn_reflns_limit_l_max       31
_diffrn_reflns_limit_l_min       -31
_diffrn_reflns_number            33850
_diffrn_reflns_theta_full        25.00
_diffrn_reflns_theta_max         27.73
_diffrn_reflns_theta_min         2.06
_diffrn_standards_decay_%        0
_diffrn_standards_interval_count 0
_diffrn_standards_interval_time  0
_diffrn_standards_number         0
_exptl_absorpt_coefficient_mu    0.346
_exptl_absorpt_correction_T_max  0.9795
_exptl_absorpt_correction_T_min  0.9467
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   'SADABS v. 1 (Sheldrick, 2008)'
_exptl_crystal_colour            red
_exptl_crystal_density_diffrn    1.270
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       block
_exptl_crystal_F_000             1248
_exptl_crystal_size_max          0.16
_exptl_crystal_size_mid          0.14
_exptl_crystal_size_min          0.06
_refine_diff_density_max         0.551
_refine_diff_density_min         -0.477
_refine_diff_density_rms         0.061
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.174
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     352
_refine_ls_number_reflns         7121
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      1.174
_refine_ls_R_factor_all          0.0561
_refine_ls_R_factor_gt           0.0416
_refine_ls_shift/su_max          0.001
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'calc w=1/[σ²(Fo²)+(0.0630P)²+0.0000P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1149
_refine_ls_wR_factor_ref         0.1240
_reflns_number_gt                5682
_reflns_number_total             7121
_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            c3dt50327e.txt
_cod_data_source_block           apx1454
_cod_original_sg_symbol_H-M      'P 21/c'
_cod_database_code               7021292
loop_
_symmetry_equiv_pos_as_xyz
'x, y, z'
'-x, y+1/2, -z+1/2'
'-x, -y, -z'
'x, -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 1.08510(4) 0.793533(19) 0.381646(14) 0.01712(10) Uani 1 1 d .
K2 K 0.62344(4) 0.790289(19) 0.380743(14) 0.01680(10) Uani 1 1 d .
N1 N 0.81122(17) 0.84814(8) 0.28916(5) 0.0181(3) Uani 1 1 d .
N2 N 0.82466(17) 0.69403(7) 0.32106(5) 0.0163(3) Uani 1 1 d .
N3 N 0.87776(17) 0.68456(8) 0.43055(5) 0.0172(3) Uani 1 1 d .
N4 N 0.90175(18) 0.83039(8) 0.47817(5) 0.0196(3) Uani 1 1 d .
O1 O 1.31658(15) 0.74850(7) 0.30724(5) 0.0225(3) Uani 1 1 d .
O2 O 1.38914(16) 0.73513(7) 0.45314(5) 0.0262(3) Uani 1 1 d .
O3 O 0.36299(15) 0.91405(7) 0.38335(5) 0.0282(3) Uani 1 1 d .
C1 C 0.7968(2) 0.92084(10) 0.27035(7) 0.0223(4) Uani 1 1 d .
H1 H 0.8190 0.9601 0.2965 0.027 Uiso 1 1 calc R
C2 C 0.7522(2) 0.94308(10) 0.21590(7) 0.0277(4) Uani 1 1 d .
H2 H 0.7414 0.9950 0.2059 0.033 Uiso 1 1 calc R
C3 C 0.7235(2) 0.88378(10) 0.17611(7) 0.0259(4) Uani 1 1 d .
H3 H 0.6941 0.8958 0.1387 0.031 Uiso 1 1 calc R
C4 C 0.7391(2) 0.80876(10) 0.19271(7) 0.0207(3) Uani 1 1 d .
H4 H 0.7227 0.7695 0.1664 0.025 Uiso 1 1 calc R
C5 C 0.7803(2) 0.78947(9) 0.24988(6) 0.0160(3) Uani 1 1 d .
C6 C 0.7879(2) 0.71176(9) 0.26677(6) 0.0169(3) Uani 1 1 d .
H6 H 0.7676 0.6725 0.2405 0.020 Uiso 1 1 calc R
C7 C 0.8280(2) 0.62402(9) 0.34252(6) 0.0175(3) Uani 1 1 d .
C8 C 0.7912(2) 0.55219(9) 0.30758(7) 0.0232(4) Uani 1 1 d .
H8A H 0.8944 0.5435 0.2875 0.028 Uiso 1 1 calc R
H8B H 0.6824 0.5606 0.2805 0.028 Uiso 1 1 calc R
C9 C 0.7622(3) 0.47992(10) 0.34125(8) 0.0367(5) Uani 1 1 d .
H9A H 0.6406 0.4815 0.3525 0.044 Uiso 1 1 calc R
H9B H 0.7689 0.4343 0.3185 0.044 Uiso 1 1 calc R
C10 C 0.9068(3) 0.47468(10) 0.39207(8) 0.0337(4) Uani 1 1 d .
H10A H 1.0287 0.4761 0.3810 0.040 Uiso 1 1 calc R
H10B H 0.8939 0.4260 0.4109 0.040 Uiso 1 1 calc R
C11 C 0.8865(2) 0.54126(9) 0.43132(7) 0.0233(4) Uani 1 1 d .
H11A H 0.7795 0.5320 0.4496 0.028 Uiso 1 1 calc R
H11B H 0.9941 0.5427 0.4596 0.028 Uiso 1 1 calc R
C12 C 0.8654(2) 0.61889(9) 0.40257(7) 0.0177(3) Uani 1 1 d .
C13 C 0.9063(2) 0.69104(9) 0.48637(7) 0.0186(3) Uani 1 1 d .
H13 H 0.9194 0.6469 0.5084 0.022 Uiso 1 1 calc R
C14 C 0.9160(2) 0.76438(10) 0.51089(7) 0.0183(3) Uani 1 1 d .
C15 C 0.9407(2) 0.77224(11) 0.56965(7) 0.0238(4) Uani 1 1 d .
H15 H 0.9460 0.7281 0.5916 0.029 Uiso 1 1 calc R
C16 C 0.9567(2) 0.84304(11) 0.59415(7) 0.0282(4) Uani 1 1 d .
H16 H 0.9731 0.8473 0.6325 0.034 Uiso 1 1 calc R
C17 C 0.9482(2) 0.90936(11) 0.56101(7) 0.0278(4) Uani 1 1 d .
H17 H 0.9616 0.9586 0.5765 0.033 Uiso 1 1 calc R
C18 C 0.9191(2) 0.89864(10) 0.50441(7) 0.0230(4) Uani 1 1 d .
H18 H 0.9109 0.9428 0.4825 0.028 Uiso 1 1 calc R
C19 C 1.2930(2) 0.78788(10) 0.25440(8) 0.0263(4) Uani 1 1 d .
H19A H 1.3914 0.8250 0.2529 0.032 Uiso 1 1 calc R
H19B H 1.1760 0.8150 0.2484 0.032 Uiso 1 1 calc R
C20 C 1.2982(3) 0.72525(12) 0.21087(8) 0.0329(4) Uani 1 1 d .
H20A H 1.2169 0.7378 0.1771 0.039 Uiso 1 1 calc R
H20B H 1.4223 0.7180 0.2024 0.039 Uiso 1 1 calc R
C21 C 1.2321(3) 0.65403(11) 0.23816(7) 0.0294(4) Uani 1 1 d .
H21A H 1.0985 0.6512 0.2328 0.035 Uiso 1 1 calc R
H21B H 1.2809 0.6072 0.2239 0.035 Uiso 1 1 calc R
C22 C 1.3077(2) 0.66607(10) 0.29816(7) 0.0257(4) Uani 1 1 d .
H22A H 1.2278 0.6421 0.3217 0.031 Uiso 1 1 calc R
H22B H 1.4296 0.6433 0.3065 0.031 Uiso 1 1 calc R
C23 C 0.4453(3) 0.95553(10) 0.43123(8) 0.0296(4) Uani 1 1 d .
H23A H 0.5350 0.9235 0.4540 0.035 Uiso 1 1 calc R
H23B H 0.3523 0.9720 0.4533 0.035 Uiso 1 1 calc R
C24 C 0.5368(4) 1.02393(15) 0.40944(12) 0.0802(10) Uani 1 1 d .
H24A H 0.5325 1.0683 0.4336 0.096 Uiso 1 1 calc R
H24B H 0.6646 1.0125 0.4065 0.096 Uiso 1 1 calc R
C25 C 0.4321(4) 1.03924(12) 0.35463(9) 0.0482(6) Uani 1 1 d .
H25A H 0.3440 1.0806 0.3566 0.058 Uiso 1 1 calc R
H25B H 0.5143 1.0539 0.3286 0.058 Uiso 1 1 calc R
C26 C 0.3369(3) 0.96690(13) 0.33739(9) 0.0456(6) Uani 1 1 d .
H26A H 0.2064 0.9766 0.3263 0.055 Uiso 1 1 calc R
H26B H 0.3866 0.9449 0.3061 0.055 Uiso 1 1 calc R
C27 C 1.3908(3) 0.65205(11) 0.45690(8) 0.0301(4) Uani 1 1 d .
H27A H 1.4722 0.6303 0.4329 0.036 Uiso 1 1 calc R
H27B H 1.2678 0.6315 0.4459 0.036 Uiso 1 1 calc R
C28 C 1.4589(3) 0.63215(11) 0.51676(8) 0.0341(4) Uani 1 1 d .
H28A H 1.5921 0.6273 0.5233 0.041 Uiso 1 1 calc R
H28B H 1.4041 0.5844 0.5275 0.041 Uiso 1 1 calc R
C29 C 1.3949(3) 0.70089(11) 0.54756(8) 0.0332(4) Uani 1 1 d .
H29A H 1.2686 0.6942 0.5542 0.040 Uiso 1 1 calc R
H29B H 1.4735 0.7088 0.5827 0.040 Uiso 1 1 calc R
C30 C 1.4111(2) 0.76766(11) 0.50827(8) 0.0283(4) Uani 1 1 d .
H30A H 1.3160 0.8059 0.5112 0.034 Uiso 1 1 calc R
H30B H 1.5305 0.7924 0.5169 0.034 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'
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 N3 120.87(4) . .
O1 K1 O2 78.46(4) . .
N3 K1 O2 85.66(4) . .
O1 K1 N2 85.27(4) . .
N3 K1 N2 56.26(4) . .
O2 K1 N2 121.42(4) . .
O1 K1 O3 73.53(3) . 1_655
N3 K1 O3 154.10(4) . 1_655
O2 K1 O3 75.98(3) . 1_655
N2 K1 O3 149.60(4) . 1_655
O1 K1 N4 168.11(4) . .
N3 K1 N4 57.66(4) . .
O2 K1 N4 89.66(4) . .
N2 K1 N4 101.44(4) . .
O3 K1 N4 103.49(4) 1_655 .
O1 K1 N1 90.13(4) . .
N3 K1 N1 100.98(4) . .
O2 K1 N1 168.57(4) . .
N2 K1 N1 57.36(4) . .
O3 K1 N1 100.33(4) 1_655 .
N4 K1 N1 101.75(4) . .
O1 K1 K2 134.31(3) . .
N3 K1 K2 52.11(3) . .
O2 K1 K2 134.49(3) . .
N2 K1 K2 52.14(3) . .
O3 K1 K2 135.22(3) 1_655 .
N4 K1 K2 55.72(3) . .
N1 K1 K2 55.30(3) . .
O1 K1 C12 101.07(4) . .
N3 K1 C12 20.66(4) . .
O2 K1 C12 86.55(4) . .
N2 K1 C12 42.19(4) . .
O3 K1 C12 162.39(4) 1_655 .
N4 K1 C12 78.27(4) . .
N1 K1 C12 96.39(4) . .
K2 K1 C12 60.30(3) . .
O1 K1 C13 131.53(4) . .
N3 K1 C13 21.04(4) . .
O2 K1 C13 73.35(3) . .
N2 K1 C13 77.21(4) . .
O3 K1 C13 133.19(4) 1_655 .
N4 K1 C13 42.82(4) . .
N1 K1 C13 115.68(4) . .
K2 K1 C13 61.20(3) . .
C12 K1 C13 39.64(4) . .
O1 K1 C7 86.75(4) . .
N3 K1 C7 41.91(4) . .
O2 K1 C7 102.32(4) . .
N2 K1 C7 20.15(4) . .
O3 K1 C7 160.19(4) 1_655 .
N4 K1 C7 96.20(4) . .
N1 K1 C7 77.40(4) . .
K2 K1 C7 59.42(3) . .
C12 K1 C7 23.85(4) . .
C13 K1 C7 62.54(4) . .
O1 K1 K2 44.36(2) . 1_655
N3 K1 K2 126.76(3) . 1_655
O2 K1 K2 45.21(2) . 1_655
N2 K1 K2 126.07(3) . 1_655
O3 K1 K2 46.55(2) 1_655 1_655
N4 K1 K2 125.41(3) . 1_655
N1 K1 K2 124.76(3) . 1_655
K2 K1 K2 178.108(15) . 1_655
C12 K1 K2 118.07(3) . 1_655
C13 K1 K2 118.35(3) . 1_655
C7 K1 K2 118.69(3) . 1_655
N3 K2 O1 123.14(4) . 1_455
N3 K2 N2 57.16(4) . .
O1 K2 N2 86.97(4) 1_455 .
N3 K2 O2 86.20(4) . 1_455
O1 K2 O2 78.73(4) 1_455 1_455
N2 K2 O2 123.22(4) . 1_455
N3 K2 O3 152.94(4) . .
O1 K2 O3 74.21(3) 1_455 .
N2 K2 O3 149.76(4) . .
O2 K2 O3 76.69(3) 1_455 .
N3 K2 N1 101.39(4) . .
O1 K2 N1 91.27(4) 1_455 .
N2 K2 N1 57.72(4) . .
O2 K2 N1 169.73(4) 1_455 .
O3 K2 N1 98.51(4) . .
N3 K2 N4 57.52(4) . .
O1 K2 N4 167.79(4) 1_455 .
N2 K2 N4 101.75(4) . .
O2 K2 N4 89.29(4) 1_455 .
O3 K2 N4 100.92(4) . .
N1 K2 N4 100.60(4) . .
N3 K2 K1 52.94(3) . .
O1 K2 K1 136.78(3) 1_455 .
N2 K2 K1 53.51(3) . .
O2 K2 K1 134.86(3) 1_455 .
O3 K2 K1 130.91(3) . .
N1 K2 K1 54.94(3) . .
N4 K2 K1 54.71(3) . .
N3 K2 C23 131.16(4) . .
O1 K2 C23 97.69(4) 1_455 .
N2 K2 C23 160.78(4) . .
O2 K2 C23 75.99(4) 1_455 .
O3 K2 C23 24.04(4) . .
N1 K2 C23 103.39(4) . .
N4 K2 C23 76.88(4) . .
K1 K2 C23 114.53(3) . .
N3 K2 C13 20.82(4) . .
O1 K2 C13 133.42(4) 1_455 .
N2 K2 C13 77.87(4) . .
O2 K2 C13 73.85(3) 1_455 .
O3 K2 C13 132.13(4) . .
N1 K2 C13 115.40(4) . .
N4 K2 C13 42.73(4) . .
K1 K2 C13 61.28(3) . .
C23 K2 C13 110.91(4) . .
N3 K2 K1 128.16(3) . 1_455
O1 K2 K1 44.52(2) 1_455 1_455
N2 K2 K1 128.27(3) . 1_455
O2 K2 K1 45.38(2) 1_455 1_455
O3 K2 K1 47.31(2) . 1_455
N1 K2 K1 124.96(3) . 1_455
N4 K2 K1 124.13(3) . 1_455
K1 K2 K1 178.108(15) . 1_455
C23 K2 K1 63.58(3) . 1_455
C13 K2 K1 119.14(3) . 1_455
C1 N1 C5 116.87(13) . .
C1 N1 K1 125.08(10) . .
C5 N1 K1 108.58(9) . .
C1 N1 K2 123.64(10) . .
C5 N1 K2 103.09(9) . .
K1 N1 K2 69.76(3) . .
C7 N2 C6 126.08(14) . .
C7 N2 K2 108.87(10) . .
C6 N2 K2 109.50(9) . .
C7 N2 K1 112.28(10) . .
C6 N2 K1 113.56(10) . .
K2 N2 K1 74.34(3) . .
C12 N3 C13 125.50(14) . .
C12 N3 K2 110.46(10) . .
C13 N3 K2 112.60(10) . .
C12 N3 K1 111.06(10) . .
C13 N3 K1 111.09(10) . .
K2 N3 K1 74.95(3) . .
C18 N4 C14 117.08(14) . .
C18 N4 K1 123.36(10) . .
C14 N4 K1 106.07(10) . .
C18 N4 K2 126.35(10) . .
C14 N4 K2 104.68(9) . .
K1 N4 K2 69.57(3) . .
C22 O1 C19 109.35(12) . .
C22 O1 K2 111.87(9) . 1_655
C19 O1 K2 115.90(9) . 1_655
C22 O1 K1 111.11(9) . .
C19 O1 K1 116.52(9) . .
K2 O1 K1 91.12(3) 1_655 .
C27 O2 C30 109.28(13) . .
C27 O2 K2 112.31(10) . 1_655
C30 O2 K2 117.28(10) . 1_655
C27 O2 K1 113.36(10) . .
C30 O2 K1 114.15(10) . .
K2 O2 K1 89.42(3) 1_655 .
C23 O3 C26 108.17(14) . .
C23 O3 K2 100.87(9) . .
C26 O3 K2 118.02(12) . .
C23 O3 K1 125.67(10) . 1_455
C26 O3 K1 115.47(11) . 1_455
K2 O3 K1 86.14(4) . 1_455
N1 C1 C2 126.15(16) . .
C1 C2 C3 116.97(15) . .
C4 C3 C2 119.49(16) . .
C3 C4 C5 120.83(16) . .
N1 C5 C6 119.98(14) . .
N1 C5 C4 119.64(14) . .
C6 C5 C4 120.38(15) . .
N2 C6 C5 119.99(14) . .
N2 C7 C12 116.52(13) . .
N2 C7 C8 122.68(14) . .
C12 C7 C8 120.78(14) . .
N2 C7 K1 47.57(8) . .
C12 C7 K1 76.31(8) . .
C8 C7 K1 151.50(10) . .
C7 C8 C9 113.39(14) . .
C10 C9 C8 110.75(16) . .
C9 C10 C11 110.52(15) . .
C12 C11 C10 113.14(14) . .
N3 C12 C7 117.22(13) . .
N3 C12 C11 121.89(14) . .
C7 C12 C11 120.89(14) . .
N3 C12 K1 48.27(8) . .
C7 C12 K1 79.85(8) . .
C11 C12 K1 144.73(10) . .
N3 C13 C14 119.77(14) . .
N3 C13 K2 46.58(8) . .
C14 C13 K2 81.91(9) . .
N3 C13 K1 47.87(8) . .
C14 C13 K1 81.53(9) . .
K2 C13 K1 57.52(3) . .
N4 C14 C13 120.28(15) . .
N4 C14 C15 119.22(15) . .
C13 C14 C15 120.50(15) . .
C16 C15 C14 121.22(16) . .
C15 C16 C17 119.32(16) . .
C18 C17 C16 117.15(17) . .
N4 C18 C17 125.96(16) . .
O1 C19 C20 106.00(14) . .
C21 C20 C19 103.29(15) . .
C22 C21 C20 102.67(14) . .
O1 C22 C21 106.77(14) . .
O3 C23 C24 105.33(16) . .
O3 C23 K2 55.09(8) . .
C24 C23 K2 108.44(17) . .
C25 C24 C23 105.35(18) . .
C26 C25 C24 105.83(18) . .
O3 C26 C25 108.33(17) . .
O2 C27 C28 106.68(15) . .
C27 C28 C29 102.57(15) . .
C30 C29 C28 103.02(15) . .
O2 C30 C29 106.49(15) . .
loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_site_symmetry_2
K1 O1 2.7696(11) .
K1 N3 2.7938(13) .
K1 O2 2.8111(12) .
K1 N2 2.8231(13) .
K1 O3 2.9094(12) 1_655
K1 N4 2.9450(14) .
K1 N1 2.9497(13) .
K1 K2 3.3810(5) .
K1 C12 3.4932(16) .
K1 C13 3.5146(16) .
K1 C7 3.5391(16) .
K1 K2 3.9494(5) 1_655
K2 N3 2.7632(13) .
K2 O1 2.7620(12) 1_455
K2 N2 2.7722(13) .
K2 O2 2.8027(12) 1_455
K2 O3 2.8738(13) .
K2 N1 2.9626(13) .
K2 N4 2.9812(14) .
K2 C23 3.4416(19) .
K2 C13 3.5122(16) .
K2 K1 3.9494(5) 1_455
N1 C1 1.337(2) .
N1 C5 1.391(2) .
N2 C7 1.317(2) .
N2 C6 1.348(2) .
N3 C12 1.321(2) .
N3 C13 1.352(2) .
N4 C18 1.339(2) .
N4 C14 1.388(2) .
O1 C22 1.442(2) .
O1 C19 1.446(2) .
O1 K2 2.7619(12) 1_655
O2 C27 1.439(2) .
O2 C30 1.445(2) .
O2 K2 2.8028(12) 1_655
O3 C23 1.428(2) .
O3 C26 1.437(2) .
O3 K1 2.9094(12) 1_455
C1 C2 1.376(2) .
C2 C3 1.406(3) .
C3 C4 1.358(2) .
C4 C5 1.423(2) .
C5 C6 1.404(2) .
C7 C12 1.454(2) .
C7 C8 1.508(2) .
C8 C9 1.527(2) .
C9 C10 1.513(3) .
C10 C11 1.518(2) .
C11 C12 1.512(2) .
C13 C14 1.399(2) .
C14 C15 1.425(2) .
C15 C16 1.360(3) .
C16 C17 1.399(3) .
C17 C18 1.379(2) .
C19 C20 1.521(3) .
C20 C21 1.512(3) .
C21 C22 1.503(2) .
C23 C24 1.494(3) .
C24 C25 1.466(3) .
C25 C26 1.464(3) .
C27 C28 1.513(3) .
C28 C29 1.516(3) .
C29 C30 1.516(3) .
