#------------------------------------------------------------------------------
#$Date: 2016-02-20 22:30:07 +0200 (Sat, 20 Feb 2016) $
#$Revision: 176789 $
#$URL: svn://www.crystallography.net/cod/cif/2/22/24/2222480.cif $
#------------------------------------------------------------------------------
#
# This file is available in the Crystallography Open Database (COD),
# http://www.crystallography.net/. The original data for this entry
# were provided by IUCr Journals, http://journals.iucr.org/.
#
# 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_2222480
loop_
_publ_author_name
'Ng, Seik Weng'
_publ_section_title
;
 Tripotassium
 bis(acetato-κ²O,O')(thiocyanato-κN)plumbate(II)
 dithiocyanate
;
_journal_coeditor_code           TK2472
_journal_issue                   7
_journal_name_full               'Acta Crystallographica Section E'
_journal_page_first              m755
_journal_paper_doi               10.1107/S1600536809021370
_journal_volume                  65
_journal_year                    2009
_chemical_formula_iupac          'K3 [Pb (C2 H3 O2)2 (N C S)] (N C S)2'
_chemical_formula_moiety         'C7 H6 K3 N3 O4 Pb S3'
_chemical_formula_sum            'C7 H6 K3 N3 O4 Pb S3'
_chemical_formula_weight         616.82
_chemical_name_systematic
;
Tripotassium
bis(acetato-κ²O,O')(thiocyanato-κN)plumbate(II)
dithiocyanate
;
_space_group_IT_number           11
_symmetry_cell_setting           monoclinic
_symmetry_space_group_name_Hall  '-P 2yb'
_symmetry_space_group_name_H-M   'P 1 21/m 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
_cell_angle_beta                 106.9820(10)
_cell_angle_gamma                90
_cell_formula_units_Z            2
_cell_length_a                   6.19680(10)
_cell_length_b                   19.2499(3)
_cell_length_c                   7.63540(10)
_cell_measurement_reflns_used    4971
_cell_measurement_temperature    140(2)
_cell_measurement_theta_max      28.3
_cell_measurement_theta_min      2.9
_cell_volume                     871.10(2)
_computing_cell_refinement       'SAINT (Bruker, 2008)'
_computing_data_collection       'APEX2 (Bruker, 2008)'
_computing_data_reduction        'SAINT (Bruker, 2008)'
_computing_molecular_graphics    'X-SEED (Barbour, 2001)'
_computing_publication_material  'publCIF (Westrip, 2009)'
_computing_structure_refinement  'SHELXL97 (Sheldrick, 2008)'
_computing_structure_solution    'SHELXS97 (Sheldrick, 2008)'
_diffrn_ambient_temperature      140(2)
_diffrn_measured_fraction_theta_full 0.998
_diffrn_measured_fraction_theta_max 0.998
_diffrn_measurement_device_type  'Bruker SMART APEX'
_diffrn_measurement_method       ω
_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  0.023
_diffrn_reflns_av_sigmaI/netI    0.024
_diffrn_reflns_limit_h_max       8
_diffrn_reflns_limit_h_min       -7
_diffrn_reflns_limit_k_max       25
_diffrn_reflns_limit_k_min       -25
_diffrn_reflns_limit_l_max       9
_diffrn_reflns_limit_l_min       -9
_diffrn_reflns_number            6058
_diffrn_reflns_theta_full        27.5
_diffrn_reflns_theta_max         27.5
_diffrn_reflns_theta_min         2.1
_diffrn_standards_decay_%        0
_diffrn_standards_interval_count 0
_diffrn_standards_interval_time  0
_diffrn_standards_number         0
_exptl_absorpt_coefficient_mu    10.772
_exptl_absorpt_correction_T_max  0.480
_exptl_absorpt_correction_T_min  0.174
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   '(SADABS; Sheldrick, 1996)'
_exptl_crystal_colour            Colorless
_exptl_crystal_density_diffrn    2.352
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       Block
_exptl_crystal_F_000             576
_exptl_crystal_size_max          0.25
_exptl_crystal_size_mid          0.20
_exptl_crystal_size_min          0.08
_refine_diff_density_max         0.81
_refine_diff_density_min         -2.00
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.16
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     104
_refine_ls_number_reflns         2045
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      1.16
_refine_ls_R_factor_all          0.023
_refine_ls_R_factor_gt           0.022
_refine_ls_shift/su_max          0.001
_refine_ls_shift/su_mean         0.001
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'calc w=1/[σ²(Fo²)+(0.03P)²+1.3438P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.056
_refine_ls_wR_factor_ref         0.056
_reflns_number_gt                2015
_reflns_number_total             2045
_reflns_threshold_expression     I>2σ(I)
_cod_data_source_file            tk2472.cif
_cod_data_source_block           I
_cod_depositor_comments
;
The following automatic conversions were performed:
'_symmetry_cell_setting' value 'Monoclinic' changed to 'monoclinic'
according to '/home/saulius/struct/CIF-dictionaries/cif_core.dic'
dictionary named 'cif_core.dic' version 2.4.1 from
2010-06-29.

'_exptl_absorpt_correction_type' value 'Multi-scan' changed
to 'multi-scan' according to
'/home/saulius/struct/CIF-dictionaries/cif_core.dic' dictionary named
'cif_core.dic' version 2.4.1 from 2010-06-29.

Automatic conversion script
Id: cif_fix_enum 1527 2010-12-29 10:47:43Z saulius 

The following automatic conversions were performed:

'_symmetry_cell_setting' value 'Monoclinic' changed to 'monoclinic'
according to /home/saulius/struct/CIF-dictionaries/cif_core.dic
dictionary named 'cif_core.dic' version 2.4.1 from
2010-06-29.

'_exptl_absorpt_correction_type' value 'Multi-scan'
changed to 'multi-scan' according to
/home/saulius/struct/CIF-dictionaries/cif_core.dic dictionary named
'cif_core.dic' version 2.4.1 from 2010-06-29.

Automatic conversion script
Id: cif_fix_values 1715 2011-07-08 13:25:40Z adriana 
;
_cod_original_sg_symbol_H-M      'P 21/m'
_cod_database_code               2222480
_cod_database_fobs_code          2222480
loop_
_symmetry_equiv_pos_as_xyz
'x, y, z'
'-x, y+1/2, -z'
'-x, -y, -z'
'x, -y-1/2, z'
loop_
_atom_site_type_symbol
_atom_site_label
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_U_iso_or_equiv
_atom_site_adp_type
_atom_site_calc_flag
_atom_site_refinement_flags
_atom_site_occupancy
_atom_site_disorder_assembly
_atom_site_disorder_group
Pb Pb1 0.41686(3) 0.7500 0.47400(2) 0.01158(7) Uani d S 1 . .
K K1 0.85392(14) 0.59423(4) 0.42518(12) 0.01948(17) Uani d . 1 . .
K K2 0.74409(19) 0.7500 0.09371(15) 0.0160(2) Uani d S 1 . .
S S1 1.1475(2) 0.7500 0.8492(2) 0.0247(3) Uani d S 1 . .
S S2 0.65682(16) 0.62677(5) 0.76528(14) 0.01949(19) Uani d . 1 . .
N N1 0.8449(7) 0.7500 0.4972(6) 0.0151(9) Uani d S 1 . .
N N2 0.2738(6) 0.54336(19) 0.6214(6) 0.0289(8) Uani d . 1 . .
O O1 0.4696(4) 0.66654(13) 0.2532(4) 0.0162(5) Uani d . 1 . .
O O2 0.1161(4) 0.66405(13) 0.2588(4) 0.0171(5) Uani d . 1 . .
C C1 0.2743(6) 0.63941(18) 0.2063(5) 0.0146(7) Uani d . 1 . .
C C2 0.2360(7) 0.5741(2) 0.0917(6) 0.0236(8) Uani d . 1 . .
H H2A 0.2283 0.5341 0.1689 0.035 Uiso calc R 1 . .
H H2B 0.3609 0.5678 0.0388 0.035 Uiso calc R 1 . .
H H2C 0.0940 0.5782 -0.0069 0.035 Uiso calc R 1 . .
C C3 0.9724(8) 0.7500 0.6432(7) 0.0142(10) Uani d S 1 . .
C C4 0.4309(6) 0.57822(19) 0.6821(5) 0.0180(7) Uani d . 1 . .
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'
S S 0.1246 0.1234 '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'
Pb Pb -3.3944 10.1111 '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_site_symmetry_1
_geom_angle_site_symmetry_3
_geom_angle
_geom_angle_publ_flag
O1 Pb1 O1 . 4_575 83.23(13) ?
O1 Pb1 N1 . . 72.87(9) ?
O1 Pb1 N1 4_575 . 72.87(9) ?
O1 Pb1 O2 . . 51.04(8) ?
O1 Pb1 O2 4_575 . 101.23(8) ?
N1 Pb1 O2 . . 123.76(9) ?
O1 Pb1 O2 . 4_575 101.23(8) ?
O1 Pb1 O2 4_575 4_575 51.04(8) ?
N1 Pb1 O2 . 4_575 123.76(9) ?
O2 Pb1 O2 . 4_575 76.62(11) ?
O2 K1 O1 1_655 . 94.59(8) ?
O2 K1 N2 1_655 3_666 127.44(11) ?
O1 K1 N2 . 3_666 104.45(9) ?
O2 K1 N2 1_655 1_655 80.28(10) ?
O1 K1 N2 . 1_655 170.07(10) ?
N2 K1 N2 3_666 1_655 85.36(11) ?
O2 K1 N1 1_655 . 68.92(10) ?
O1 K1 N1 . . 61.85(10) ?
N2 K1 N1 3_666 . 161.31(12) ?
N2 K1 N1 1_655 . 108.25(11) ?
O2 K1 S2 1_655 . 134.60(6) ?
O1 K1 S2 . . 78.90(6) ?
N2 K1 S2 3_666 . 97.35(9) ?
N2 K1 S2 1_655 . 98.58(9) ?
N1 K1 S2 . . 68.55(9) ?
O2 K2 O2 4_675 1_655 71.90(11) ?
O2 K2 O1 4_675 . 130.58(9) ?
O2 K2 O1 1_655 . 89.45(8) ?
O2 K2 O1 4_675 4_575 89.45(8) ?
O2 K2 O1 1_655 4_575 130.58(9) ?
O1 K2 O1 . 4_575 68.41(10) ?
O2 K2 N1 4_675 . 68.78(9) ?
O2 K2 N1 1_655 . 68.78(9) ?
O1 K2 N1 . . 61.80(9) ?
O1 K2 N1 4_575 . 61.80(9) ?
O2 K2 S2 4_675 1_554 132.59(7) ?
O2 K2 S2 1_655 1_554 81.51(6) ?
O1 K2 S2 . 1_554 86.29(6) ?
O1 K2 S2 4_575 1_554 136.45(7) ?
N1 K2 S2 . 1_554 135.40(2) ?
O2 K2 S2 4_675 4_574 81.51(6) ?
O2 K2 S2 1_655 4_574 132.59(7) ?
O1 K2 S2 . 4_574 136.45(6) ?
O1 K2 S2 4_575 4_574 86.29(6) ?
N1 K2 S2 . 4_574 135.40(2) ?
S2 K2 S2 1_554 4_574 89.19(4) ?
O2 K2 S1 4_675 1_554 67.87(6) ?
O2 K2 S1 1_655 1_554 67.87(6) ?
O1 K2 S1 . 1_554 145.78(5) ?
O1 K2 S1 4_575 1_554 145.78(5) ?
N1 K2 S1 . 1_554 125.72(9) ?
S2 K2 S1 1_554 1_554 65.92(3) ?
S2 K2 S1 4_574 1_554 65.92(3) ?
O2 K2 S1 4_675 1_454 143.98(5) ?
O2 K2 S1 1_655 1_454 143.98(5) ?
O1 K2 S1 . 1_454 64.83(6) ?
O1 K2 S1 4_575 1_454 64.83(6) ?
N1 K2 S1 . 1_454 114.20(9) ?
S2 K2 S1 1_554 1_454 72.51(3) ?
S2 K2 S1 4_574 1_454 72.51(3) ?
S1 K2 S1 1_554 1_454 120.08(5) ?
C3 S1 K2 . 1_556 97.79(19) ?
C3 S1 K2 . 1_656 142.1(2) ?
K2 S1 K2 1_556 1_656 120.08(5) ?
C4 S2 K1 . . 93.34(15) ?
C4 S2 K2 . 1_556 128.15(15) ?
K1 S2 K2 . 1_556 135.65(4) ?
C3 N1 Pb1 . . 117.3(4) ?
C3 N1 K2 . . 151.1(4) ?
Pb1 N1 K2 . . 91.61(13) ?
C3 N1 K1 . . 97.45(9) ?
Pb1 N1 K1 . . 93.42(8) ?
K2 N1 K1 . . 79.74(8) ?
C3 N1 K1 . 4_575 97.45(9) ?
Pb1 N1 K1 . 4_575 93.42(8) ?
K2 N1 K1 . 4_575 79.74(8) ?
K1 N1 K1 . 4_575 158.52(17) ?
C4 N2 K1 . 3_666 141.4(3) ?
C4 N2 K1 . 1_455 123.8(3) ?
K1 N2 K1 3_666 1_455 94.64(11) ?
C1 O1 Pb1 . . 99.1(2) ?
C1 O1 K1 . . 123.3(2) ?
Pb1 O1 K1 . . 106.18(9) ?
C1 O1 K2 . . 138.4(2) ?
Pb1 O1 K2 . . 98.16(8) ?
K1 O1 K2 . . 86.99(8) ?
C1 O2 Pb1 . . 87.8(2) ?
C1 O2 K1 . 1_455 126.6(2) ?
Pb1 O2 K1 . 1_455 115.30(10) ?
C1 O2 K2 . 1_455 133.8(2) ?
Pb1 O2 K2 . 1_455 104.14(8) ?
K1 O2 K2 1_455 1_455 88.66(8) ?
O2 C1 O1 . . 121.6(3) ?
O2 C1 C2 . . 119.6(3) ?
O1 C1 C2 . . 118.8(3) ?
C1 C2 H2A . . 109.5 ?
C1 C2 H2B . . 109.5 ?
H2A C2 H2B . . 109.5 ?
C1 C2 H2C . . 109.5 ?
H2A C2 H2C . . 109.5 ?
H2B C2 H2C . . 109.5 ?
N1 C3 S1 . . 179.1(5) ?
N1 C3 K1 . 4_575 62.76(9) ?
S1 C3 K1 . 4_575 117.37(8) ?
N2 C4 S2 . . 178.7(4) ?
loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_site_symmetry_2
_geom_bond_distance
_geom_bond_publ_flag
Pb1 O1 . 2.419(3) ?
Pb1 O1 4_575 2.419(3) ?
Pb1 O2 . 2.669(3) ?
Pb1 O2 4_575 2.669(3) ?
Pb1 N1 . 2.606(4) ?
Pb1 S1 1_455 3.7130(10) ?
Pb1 S2 . 3.2940(10) ?
Pb1 S2 4_575 3.2940(10) ?
K1 O2 1_655 2.696(3) ?
K1 O1 . 2.740(3) ?
K1 N2 3_666 2.757(4) ?
K1 N2 1_655 2.774(4) ?
K1 N1 . 3.0520(12) ?
K1 S2 . 3.2373(13) ?
K2 O2 4_675 2.818(3) ?
K2 O2 1_655 2.818(3) ?
K2 O1 . 2.858(3) ?
K2 O1 4_575 2.858(3) ?
K2 N1 . 2.959(5) ?
K2 S2 1_554 3.3788(13) ?
K2 S2 4_574 3.3788(13) ?
S1 C3 . 1.630(5) ?
S2 C4 . 1.649(4) ?
S2 K2 1_556 3.3788(13) ?
N1 C3 . 1.163(7) ?
N1 K1 4_575 3.0520(12) ?
N2 C4 . 1.162(5) ?
N2 K1 3_666 2.757(4) ?
N2 K1 1_455 2.774(4) ?
O1 C1 . 1.270(4) ?
O2 C1 . 1.255(5) ?
O2 K1 1_455 2.696(3) ?
O2 K2 1_455 2.818(3) ?
C1 C2 . 1.509(5) ?
C2 H2A . 0.9800 ?
C2 H2B . 0.9800 ?
C2 H2C . 0.9800 ?
C3 K1 4_575 3.404(3) ?
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_site_symmetry_1
_geom_torsion_site_symmetry_2
_geom_torsion_site_symmetry_3
_geom_torsion_site_symmetry_4
_geom_torsion
_geom_torsion_publ_flag
O2 K1 S2 C4 1_655 . . . 150.92(15) ?
O1 K1 S2 C4 . . . . 65.45(14) ?
N2 K1 S2 C4 3_666 . . . -37.91(15) ?
N2 K1 S2 C4 1_655 . . . -124.30(15) ?
N1 K1 S2 C4 . . . . 129.38(15) ?
O2 K1 S2 K2 1_655 . . 1_556 -9.98(11) ?
O1 K1 S2 K2 . . . 1_556 -95.45(7) ?
N2 K1 S2 K2 3_666 . . 1_556 161.19(9) ?
N2 K1 S2 K2 1_655 . . 1_556 74.80(9) ?
N1 K1 S2 K2 . . . 1_556 -31.52(10) ?
O1 Pb1 N1 C3 . . . . -135.98(7) ?
O1 Pb1 N1 C3 4_575 . . . 135.98(7) ?
O2 Pb1 N1 C3 . . . . -131.78(8) ?
O2 Pb1 N1 C3 4_575 . . . 131.78(8) ?
O1 Pb1 N1 K2 . . . . 44.02(7) ?
O1 Pb1 N1 K2 4_575 . . . -44.02(7) ?
O2 Pb1 N1 K2 . . . . 48.22(8) ?
O2 Pb1 N1 K2 4_575 . . . -48.22(8) ?
O1 Pb1 N1 K1 . . . . -35.79(10) ?
O1 Pb1 N1 K1 4_575 . . . -123.83(13) ?
O2 Pb1 N1 K1 . . . . -31.60(15) ?
O2 Pb1 N1 K1 4_575 . . . -128.03(8) ?
O1 Pb1 N1 K1 . . . 4_575 123.83(13) ?
O1 Pb1 N1 K1 4_575 . . 4_575 35.79(10) ?
O2 Pb1 N1 K1 . . . 4_575 128.03(8) ?
O2 Pb1 N1 K1 4_575 . . 4_575 31.60(15) ?
O2 K2 N1 C3 4_675 . . . -39.03(6) ?
O2 K2 N1 C3 1_655 . . . 39.03(6) ?
O1 K2 N1 C3 . . . . 140.36(6) ?
O1 K2 N1 C3 4_575 . . . -140.36(7) ?
S2 K2 N1 C3 1_554 . . . 90.78(10) ?
S2 K2 N1 C3 4_574 . . . -90.78(10) ?
S1 K2 N1 C3 1_554 . . . 0.000(2) ?
S1 K2 N1 C3 1_454 . . . 180.000(3) ?
O2 K2 N1 Pb1 4_675 . . . 140.97(6) ?
O2 K2 N1 Pb1 1_655 . . . -140.97(6) ?
O1 K2 N1 Pb1 . . . . -39.64(6) ?
O1 K2 N1 Pb1 4_575 . . . 39.64(6) ?
S2 K2 N1 Pb1 1_554 . . . -89.22(10) ?
S2 K2 N1 Pb1 4_574 . . . 89.22(10) ?
S1 K2 N1 Pb1 1_554 . . . 180.0 ?
S1 K2 N1 Pb1 1_454 . . . 0.0 ?
O2 K2 N1 K1 4_675 . . . -125.85(11) ?
O2 K2 N1 K1 1_655 . . . -47.79(8) ?
O1 K2 N1 K1 . . . . 53.55(7) ?
O1 K2 N1 K1 4_575 . . . 132.82(11) ?
S2 K2 N1 K1 1_554 . . . 3.96(16) ?
S2 K2 N1 K1 4_574 . . . -177.60(6) ?
S1 K2 N1 K1 1_554 . . . -86.82(7) ?
S1 K2 N1 K1 1_454 . . . 93.18(7) ?
O2 K2 N1 K1 4_675 . . 4_575 47.79(8) ?
O2 K2 N1 K1 1_655 . . 4_575 125.85(11) ?
O1 K2 N1 K1 . . . 4_575 -132.82(11) ?
O1 K2 N1 K1 4_575 . . 4_575 -53.55(7) ?
S2 K2 N1 K1 1_554 . . 4_575 177.60(6) ?
S2 K2 N1 K1 4_574 . . 4_575 -3.96(16) ?
S1 K2 N1 K1 1_554 . . 4_575 86.82(7) ?
S1 K2 N1 K1 1_454 . . 4_575 -93.18(7) ?
O2 K1 N1 C3 1_655 . . . -100.2(4) ?
O1 K1 N1 C3 . . . . 152.1(4) ?
N2 K1 N1 C3 3_666 . . . 106.4(5) ?
N2 K1 N1 C3 1_655 . . . -28.7(4) ?
S2 K1 N1 C3 . . . . 63.5(3) ?
O2 K1 N1 Pb1 1_655 . . . 141.70(14) ?
O1 K1 N1 Pb1 . . . . 34.03(9) ?
N2 K1 N1 Pb1 3_666 . . . -11.7(4) ?
N2 K1 N1 Pb1 1_655 . . . -146.82(12) ?
S2 K1 N1 Pb1 . . . . -54.57(9) ?
O2 K1 N1 K2 1_655 . . . 50.68(9) ?
O1 K1 N1 K2 . . . . -56.99(9) ?
N2 K1 N1 K2 3_666 . . . -102.7(4) ?
N2 K1 N1 K2 1_655 . . . 122.16(11) ?
S2 K1 N1 K2 . . . . -145.59(10) ?
O2 K1 N1 K1 1_655 . . 4_575 33.4(4) ?
O1 K1 N1 K1 . . . 4_575 -74.3(4) ?
N2 K1 N1 K1 3_666 . . 4_575 -120.0(5) ?
N2 K1 N1 K1 1_655 . . 4_575 104.8(4) ?
S2 K1 N1 K1 . . . 4_575 -162.9(5) ?
O1 Pb1 O1 C1 4_575 . . . -114.5(2) ?
N1 Pb1 O1 C1 . . . . 171.4(2) ?
O2 Pb1 O1 C1 . . . . -4.14(19) ?
O2 Pb1 O1 C1 4_575 . . . -66.5(2) ?
O1 Pb1 O1 K1 4_575 . . . 116.73(7) ?
N1 Pb1 O1 K1 . . . . 42.61(10) ?
O2 Pb1 O1 K1 . . . . -132.90(14) ?
O2 Pb1 O1 K1 4_575 . . . 164.73(9) ?
O1 Pb1 O1 K2 4_575 . . . 27.51(11) ?
N1 Pb1 O1 K2 . . . . -46.61(9) ?
O2 Pb1 O1 K2 . . . . 137.88(13) ?
O2 Pb1 O1 K2 4_575 . . . 75.51(9) ?
O2 K1 O1 C1 1_655 . . . 145.2(3) ?
N2 K1 O1 C1 3_666 . . . 14.7(3) ?
N1 K1 O1 C1 . . . . -151.6(3) ?
S2 K1 O1 C1 . . . . -80.2(3) ?
O2 K1 O1 Pb1 1_655 . . . -101.92(10) ?
N2 K1 O1 Pb1 3_666 . . . 127.50(12) ?
N1 K1 O1 Pb1 . . . . -38.80(11) ?
S2 K1 O1 Pb1 . . . . 32.68(7) ?
O2 K1 O1 K2 1_655 . . . -4.30(8) ?
N2 K1 O1 K2 3_666 . . . -134.88(10) ?
N1 K1 O1 K2 . . . . 58.82(11) ?
S2 K1 O1 K2 . . . . 130.30(6) ?
O2 K2 O1 C1 4_675 . . . 158.4(3) ?
O2 K2 O1 C1 1_655 . . . -136.3(3) ?
O1 K2 O1 C1 4_575 . . . 89.0(3) ?
N1 K2 O1 C1 . . . . 157.7(4) ?
S2 K2 O1 C1 1_554 . . . -54.7(3) ?
S2 K2 O1 C1 4_574 . . . 30.2(4) ?
S1 K2 O1 C1 1_554 . . . -89.4(4) ?
S1 K2 O1 C1 1_454 . . . 17.7(3) ?
O2 K2 O1 Pb1 4_675 . . . 44.69(13) ?
O2 K2 O1 Pb1 1_655 . . . 110.02(9) ?
O1 K2 O1 Pb1 4_575 . . . -24.68(10) ?
N1 K2 O1 Pb1 . . . . 43.94(8) ?
S2 K2 O1 Pb1 1_554 . . . -168.45(8) ?
S2 K2 O1 Pb1 4_574 . . . -83.54(10) ?
S1 K2 O1 Pb1 1_554 . . . 156.87(8) ?
S1 K2 O1 Pb1 1_454 . . . -96.05(8) ?
O2 K2 O1 K1 4_675 . . . -61.24(11) ?
O2 K2 O1 K1 1_655 . . . 4.10(8) ?
O1 K2 O1 K1 4_575 . . . -130.60(4) ?
N1 K2 O1 K1 . . . . -61.98(8) ?
S2 K2 O1 K1 1_554 . . . 85.63(6) ?
S2 K2 O1 K1 4_574 . . . 170.54(5) ?
S1 K2 O1 K1 1_554 . . . 50.94(14) ?
S1 K2 O1 K1 1_454 . . . 158.03(8) ?
O1 Pb1 O2 C1 . . . . 4.13(19) ?
O1 Pb1 O2 C1 4_575 . . . 75.8(2) ?
N1 Pb1 O2 C1 . . . . -1.0(2) ?
O2 Pb1 O2 C1 4_575 . . . 120.85(18) ?
O1 Pb1 O2 K1 . . . 1_455 134.06(15) ?
O1 Pb1 O2 K1 4_575 . . 1_455 -154.31(10) ?
N1 Pb1 O2 K1 . . . 1_455 128.90(11) ?
O2 Pb1 O2 K1 4_575 . . 1_455 -109.23(8) ?
O1 Pb1 O2 K2 . . . 1_455 -130.64(13) ?
O1 Pb1 O2 K2 4_575 . . 1_455 -59.01(10) ?
N1 Pb1 O2 K2 . . . 1_455 -135.80(10) ?
O2 Pb1 O2 K2 4_575 . . 1_455 -13.92(12) ?
Pb1 O2 C1 O1 . . . . -7.2(3) ?
K1 O2 C1 O1 1_455 . . . -127.5(3) ?
K2 O2 C1 O1 1_455 . . . 100.3(4) ?
Pb1 O2 C1 C2 . . . . 170.0(3) ?
K1 O2 C1 C2 1_455 . . . 49.7(4) ?
K2 O2 C1 C2 1_455 . . . -82.5(4) ?
Pb1 O1 C1 O2 . . . . 8.0(4) ?
K1 O1 C1 O2 . . . . 124.4(3) ?
K2 O1 C1 O2 . . . . -105.3(4) ?
Pb1 O1 C1 C2 . . . . -169.2(3) ?
K1 O1 C1 C2 . . . . -52.9(4) ?
K2 O1 C1 C2 . . . . 77.4(4) ?
Pb1 N1 C3 K1 . . . 4_575 -97.76(12) ?
K2 N1 C3 K1 . . . 4_575 82.24(12) ?
K1 N1 C3 K1 . . . 4_575 164.5(2) ?
K2 S1 C3 K1 1_556 . . 4_575 97.27(19) ?
K2 S1 C3 K1 1_656 . . 4_575 -82.73(19) ?
