#------------------------------------------------------------------------------
#$Date: 2016-02-20 00:18:51 +0200 (Sat, 20 Feb 2016) $
#$Revision: 176760 $
#$URL: svn://www.crystallography.net/cod/cif/2/01/48/2014858.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_2014858
loop_
_publ_author_name
'Siquiera, Márcia R.'
'Facco, Janaina T.'
'Lang, Ernesto S.'
'Lorenzini, Fabiane'
'Rizzatti, Mara R.'
'Ellena, Javier'
'Burrow, Robert A.'
_publ_section_title
;Layered
 poly[μ₂-aqua-μ₃-dimethylformamide-di-μ₃-phenylphosphonato-dipotassium]
;
_journal_issue                   4
_journal_name_full               'Acta Crystallographica Section C'
_journal_page_first              m161
_journal_page_last               m164
_journal_paper_doi               10.1107/S0108270105001526
_journal_volume                  61
_journal_year                    2005
_chemical_formula_iupac          '[K2 (C3 H7 N O) (C6 H6 O3 P)2 (H2 O)]'
_chemical_formula_moiety         'C15 H21 K2 N O8 P2'
_chemical_formula_sum            'C15 H21 K2 N O8 P2'
_chemical_formula_weight         483.47
_chemical_name_common
;
poly[μ₂-aqua-m₃-dimethylformide-bis(μ₃-phenylphosphonato)dipotassium]
;
_chemical_name_systematic
;
poly[μ₂-aqua-m₃-dimethylformide-bis(μ₃-phenylphosphonato)dipotassium]
;
_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
_cell_angle_alpha                90
_cell_angle_beta                 115.545(5)
_cell_angle_gamma                90
_cell_formula_units_Z            4
_cell_length_a                   16.988(5)
_cell_length_b                   8.264(5)
_cell_length_c                   16.684(5)
_cell_measurement_reflns_used    16207
_cell_measurement_temperature    153(2)
_cell_measurement_theta_max      26.022
_cell_measurement_theta_min      0.407
_cell_volume                     2113.3(16)
_computing_cell_refinement       'HKL Scalepack (Otwinowski & Minor, 1997)'
_computing_data_collection       'Collect (Nonius, 2000)'
_computing_data_reduction
'HKL Denzo (Otwinowski & Minor, 1997) and Scalepack'
_computing_molecular_graphics    'Ortep-3 for Windows (Farrugia, 1997)'
_computing_publication_material  'WinGX (Farrugia, 1999)'
_computing_structure_refinement  'SHELXL97 (Sheldrick, 1997)'
_computing_structure_solution    'SHELXS97 (Sheldrick, 1997)'
_diffrn_ambient_temperature      153(2)
_diffrn_measured_fraction_theta_full 0.998
_diffrn_measured_fraction_theta_max 0.998
_diffrn_measurement_device       '95mm CCD camera on κ-goniostat'
_diffrn_measurement_device_type  'Nonius KappaCCD'
_diffrn_measurement_method       'φ or ω scans?'
_diffrn_radiation_monochromator  graphite
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_reflns_av_R_equivalents  0.0822
_diffrn_reflns_limit_h_max       20
_diffrn_reflns_limit_h_min       -20
_diffrn_reflns_limit_k_max       10
_diffrn_reflns_limit_k_min       -10
_diffrn_reflns_limit_l_max       18
_diffrn_reflns_limit_l_min       -20
_diffrn_reflns_number            25724
_diffrn_reflns_theta_full        26.02
_diffrn_reflns_theta_max         26.02
_diffrn_reflns_theta_min         2.45
_exptl_absorpt_coefficient_mu    0.641
_exptl_absorpt_correction_T_max  0.9505
_exptl_absorpt_correction_T_min  0.9010
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details
;
(Blessing, 1995)
;
_exptl_crystal_colour            colorless
_exptl_crystal_density_diffrn    1.52
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       plate
_exptl_crystal_F_000             1000
_exptl_crystal_size_max          0.14
_exptl_crystal_size_mid          0.12
_exptl_crystal_size_min          0.08
_refine_diff_density_max         0.33
_refine_diff_density_min         -0.451
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.062
_refine_ls_hydrogen_treatment    mixed
_refine_ls_matrix_type           full
_refine_ls_number_parameters     270
_refine_ls_number_reflns         4152
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      1.062
_refine_ls_R_factor_all          0.0767
_refine_ls_R_factor_gt           0.0441
_refine_ls_shift/su_max          0.001
_refine_ls_shift/su_mean         0
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'calc w=1/[σ²(Fo²)+(0.0612P)²] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1004
_refine_ls_wR_factor_ref         0.1158
_reflns_number_gt                2927
_reflns_number_total             4152
_reflns_threshold_expression     I>2σ(I)
_cod_data_source_file            jz1691.cif
_cod_data_source_block           II
_cod_original_sg_symbol_H-M      'P 21/c'
_cod_database_code               2014858
_cod_database_fobs_code          2014858
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_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
_atom_site_type_symbol
K1 0.48393(4) 0.76680(8) 0.44990(4) 0.02563(18) Uani d . 1 . . K
K2 0.51287(4) 0.75630(8) 0.19922(4) 0.02463(18) Uani d . 1 . . K
O1 0.56423(15) 0.5064(3) 0.41519(15) 0.0301(5) Uani d . 1 . . O
H1A 0.593(2) 0.530(4) 0.388(2) 0.045 Uiso d . 1 . . H
H1B 0.600(2) 0.488(4) 0.469(2) 0.045 Uiso d . 1 . . H
P1 0.33805(5) 0.91344(9) 0.24331(5) 0.0218(2) Uani d . 1 . . P
O11 0.36536(13) 1.0483(2) 0.20149(12) 0.0266(5) Uani d . 1 . . O
O12 0.39210(13) 0.7605(2) 0.26240(12) 0.0237(5) Uani d . 1 . . O
O13 0.33949(13) 0.9678(3) 0.33459(12) 0.0256(5) Uani d . 1 . . O
H13A 0.345(2) 1.075(4) 0.349(2) 0.038 Uiso d . 1 . . H
P2 0.32654(5) 0.41668(9) 0.34859(5) 0.02073(19) Uani d . 1 . . P
O21 0.34161(13) 0.5556(2) 0.41123(12) 0.0245(5) Uani d . 1 . . O
O22 0.37650(12) 0.2624(2) 0.38732(12) 0.0223(4) Uani d . 1 . . O
O23 0.34709(13) 0.4659(3) 0.26816(12) 0.0227(5) Uani d . 1 . . O
H23A 0.354(2) 0.581(4) 0.2584(19) 0.034 Uiso d . 1 . . H
O2 0.58219(14) 1.0514(3) 0.44093(14) 0.0330(5) Uani d . 1 . . O
C1 0.6599(2) 1.0863(4) 0.4900(2) 0.0312(7) Uani d . 1 . . C
H1 0.678(2) 1.189(4) 0.523(2) 0.037 Uiso d . 1 . . H
N 0.72794(17) 0.9940(3) 0.50084(16) 0.0296(6) Uani d . 1 . . N
C2 0.7170(2) 0.8421(4) 0.4539(2) 0.0411(9) Uani d . 1 . . C
H2A 0.7163 0.7529 0.4922 0.062 Uiso calc R 1 . . H
H2B 0.7655 0.8269 0.4376 0.062 Uiso calc R 1 . . H
H2C 0.6619 0.8437 0.3999 0.062 Uiso calc R 1 . . H
C5 0.8147(2) 1.0357(5) 0.5668(2) 0.0478(9) Uani d . 1 . . C
H5A 0.8128 1.1403 0.5936 0.072 Uiso calc R 1 . . H
H5B 0.8544 1.0429 0.5383 0.072 Uiso calc R 1 . . H
H5C 0.8355 0.9522 0.613 0.072 Uiso calc R 1 . . H
C11 0.22678(19) 0.8596(3) 0.17227(18) 0.0233(6) Uani d . 1 . . C
C12 0.1865(2) 0.9167(4) 0.08473(19) 0.0303(7) Uani d . 1 . . C
H12 0.217 0.9888 0.0637 0.036 Uiso calc R 1 . . H
C13 0.1026(2) 0.8686(4) 0.0287(2) 0.0358(8) Uani d . 1 . . C
H13 0.0756 0.9095 -0.0303 0.043 Uiso calc R 1 . . H
C14 0.0577(2) 0.7617(4) 0.0575(2) 0.0350(8) Uani d . 1 . . C
H14 0.0003 0.7285 0.0185 0.042 Uiso calc R 1 . . H
C15 0.0970(2) 0.7035(4) 0.1436(2) 0.0317(7) Uani d . 1 . . C
H15 0.0667 0.6289 0.1635 0.038 Uiso calc R 1 . . H
C16 0.1801(2) 0.7528(3) 0.2009(2) 0.0257(7) Uani d . 1 . . C
H16 0.2058 0.714 0.2603 0.031 Uiso calc R 1 . . H
C21 0.21195(19) 0.3656(3) 0.29914(18) 0.0221(6) Uani d . 1 . . C
C22 0.1563(2) 0.4214(3) 0.33420(19) 0.0270(7) Uani d . 1 . . C
H22 0.1779 0.4936 0.3833 0.032 Uiso calc R 1 . . H
C23 0.0697(2) 0.3732(4) 0.2985(2) 0.0324(7) Uani d . 1 . . C
H23 0.0322 0.4127 0.323 0.039 Uiso calc R 1 . . H
C24 0.0376(2) 0.2671(4) 0.2266(2) 0.0329(8) Uani d . 1 . . C
H24 -0.0217 0.2336 0.2022 0.04 Uiso calc R 1 . . H
C25 0.0923(2) 0.2106(4) 0.1911(2) 0.0309(7) Uani d . 1 . . C
H25 0.0706 0.1382 0.1421 0.037 Uiso calc R 1 . . H
C26 0.1786(2) 0.2594(3) 0.22680(19) 0.0252(7) Uani d . 1 . . C
H26 0.2157 0.2203 0.2018 0.03 Uiso calc R 1 . . H
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 0 '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 0.006 '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_site_symmetry_1
_geom_angle_site_symmetry_3
_geom_angle
_geom_angle_publ_flag
O22 K1 O1 3_666 . 80.99(6) ?
O22 K1 O21 3_666 . 117.53(6) ?
O1 K1 O21 . . 85.50(7) ?
O22 K1 O12 3_666 . 157.37(6) ?
O1 K1 O12 . . 80.76(6) ?
O21 K1 O12 . . 74.12(6) ?
O22 K1 O13 3_666 . 146.23(6) ?
O1 K1 O13 . . 131.73(7) ?
O21 K1 O13 . . 78.82(7) ?
O12 K1 O13 . . 51.10(6) ?
O22 K1 O2 3_666 . 81.52(6) ?
O1 K1 O2 . . 105.88(8) ?
O21 K1 O2 . . 159.58(6) ?
O12 K1 O2 . . 90.73(6) ?
O13 K1 O2 . . 81.00(7) ?
O22 K1 O2 3_666 3_676 80.15(6) ?
O1 K1 O2 . 3_676 153.18(7) ?
O21 K1 O2 . 3_676 86.50(7) ?
O12 K1 O2 . 3_676 121.30(6) ?
O13 K1 O2 . 3_676 71.18(6) ?
O2 K1 O2 . 3_676 89.98(7) ?
O11 K2 O12 2_645 . 106.63(6) ?
O11 K2 O1 2_645 2_655 159.49(7) ?
O12 K2 O1 . 2_655 92.70(7) ?
O11 K2 O2 2_645 2_645 98.34(7) ?
O12 K2 O2 . 2_645 94.21(7) ?
O1 K2 O2 2_655 2_645 86.75(8) ?
O11 K2 O23 2_645 2_655 84.90(7) ?
O12 K2 O23 . 2_655 130.21(6) ?
O1 K2 O23 2_655 2_655 77.24(7) ?
O2 K2 O23 2_645 2_655 132.76(6) ?
O11 K2 O22 2_645 2_655 79.56(6) ?
O12 K2 O22 . 2_655 173.05(6) ?
O1 K2 O22 2_655 2_655 81.57(6) ?
O2 K2 O22 2_645 2_655 81.58(6) ?
O23 K2 O22 2_655 2_655 52.46(6) ?
K2 O1 K1 2_645 . 127.52(9) ?
K2 O1 H1A 2_645 . 91(3) ?
K1 O1 H1A . . 114(3) ?
K2 O1 H1B 2_645 . 121(2) ?
K1 O1 H1B . . 96(2) ?
H1A O1 H1B . . 108(3) y
O11 P1 O12 . . 116.09(12) y
O11 P1 O13 . . 111.11(12) y
O12 P1 O13 . . 106.22(11) y
O11 P1 C11 . . 109.07(13) ?
O12 P1 C11 . . 107.56(12) ?
O13 P1 C11 . . 106.30(12) ?
P1 O11 K2 . 2_655 120.58(10) ?
P1 O12 K2 . . 115.22(10) ?
P1 O12 K1 . . 102.28(9) ?
K2 O12 K1 . . 106.52(7) ?
P1 O13 K1 . . 97.67(10) ?
P1 O13 H13A . . 119.3(19) ?
K1 O13 H13A . . 114(2) ?
O21 P2 O22 . . 116.87(11) y
O21 P2 O23 . . 111.18(11) y
O22 P2 O23 . . 106.94(11) y
O21 P2 C21 . . 108.90(12) ?
O22 P2 C21 . . 107.08(12) ?
O23 P2 C21 . . 105.18(12) ?
P2 O21 K1 . . 120.35(10) ?
P2 O22 K1 . 3_666 125.73(10) ?
P2 O22 K2 . 2_645 99.86(9) ?
K1 O22 K2 3_666 2_645 91.32(7) ?
P2 O23 K2 . 2_645 98.97(10) ?
P2 O23 H23A . . 118.4(17) ?
K2 O23 H23A 2_645 . 118.9(18) ?
C1 O2 K2 . 2_655 118.57(19) ?
C1 O2 K1 . . 128.03(19) ?
K2 O2 K1 2_655 . 113.36(8) ?
C1 O2 K1 . 3_676 93.12(19) ?
K2 O2 K1 2_655 3_676 88.35(7) ?
K1 O2 K1 . 3_676 90.02(7) ?
O2 C1 N . . 124.6(3) ?
O2 C1 H1 . . 123.5(19) ?
N C1 H1 . . 111.8(19) ?
C1 N C5 . . 120.4(3) ?
C1 N C2 . . 121.4(3) ?
C5 N C2 . . 117.9(3) ?
N C2 H2A . . 109.5 ?
N C2 H2B . . 109.5 ?
H2A C2 H2B . . 109.5 ?
N C2 H2C . . 109.5 ?
H2A C2 H2C . . 109.5 ?
H2B C2 H2C . . 109.5 ?
N C5 H5A . . 109.5 ?
N C5 H5B . . 109.5 ?
H5A C5 H5B . . 109.5 ?
N C5 H5C . . 109.5 ?
H5A C5 H5C . . 109.5 ?
H5B C5 H5C . . 109.5 ?
C16 C11 C12 . . 118.3(3) ?
C16 C11 P1 . . 121.2(2) ?
C12 C11 P1 . . 120.3(2) ?
C13 C12 C11 . . 120.4(3) ?
C13 C12 H12 . . 119.8 ?
C11 C12 H12 . . 119.8 ?
C14 C13 C12 . . 120.7(3) ?
C14 C13 H13 . . 119.7 ?
C12 C13 H13 . . 119.7 ?
C13 C14 C15 . . 119.4(3) ?
C13 C14 H14 . . 120.3 ?
C15 C14 H14 . . 120.3 ?
C16 C15 C14 . . 120.5(3) ?
C16 C15 H15 . . 119.7 ?
C14 C15 H15 . . 119.7 ?
C15 C16 C11 . . 120.6(3) ?
C15 C16 H16 . . 119.7 ?
C11 C16 H16 . . 119.7 ?
C22 C21 C26 . . 118.4(3) ?
C22 C21 P2 . . 121.7(2) ?
C26 C21 P2 . . 119.8(2) ?
C21 C22 C23 . . 120.9(3) ?
C21 C22 H22 . . 119.6 ?
C23 C22 H22 . . 119.6 ?
C22 C23 C24 . . 120.0(3) ?
C22 C23 H23 . . 120 ?
C24 C23 H23 . . 120 ?
C25 C24 C23 . . 119.7(3) ?
C25 C24 H24 . . 120.1 ?
C23 C24 H24 . . 120.1 ?
C24 C25 C26 . . 120.0(3) ?
C24 C25 H25 . . 120 ?
C26 C25 H25 . . 120 ?
C25 C26 C21 . . 121.0(3) ?
C25 C26 H26 . . 119.5 ?
C21 C26 H26 . . 119.5 ?
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
K1 O1 . 2.740(3) y
K1 O2 . 2.925(3) y
K1 O2 3_676 2.932(2) y
K1 O12 . 2.831(2) y
K1 O13 . 2.900(2) y
K1 O21 . 2.822(2) y
K1 O22 3_666 2.739(2) y
K2 O1 2_655 2.734(2) y
K2 O2 2_645 2.772(2) y
K2 O11 2_645 2.650(2) y
K2 O12 . 2.681(2) y
K2 O22 2_655 2.821(2) y
K2 O23 2_655 2.800(2) y
O1 H1A . 0.82(4) ?
O1 H1B . 0.85(3) ?
P1 O11 . 1.491(2) y
P1 O12 . 1.513(2) y
P1 O13 . 1.578(2) y
P1 C11 . 1.801(3) ?
O13 H13A . 0.92(3) y
P2 O21 . 1.499(2) y
P2 O22 . 1.513(2) y
P2 O23 . 1.579(2) y
P2 C21 . 1.806(3) ?
O23 H23A . 0.98(3) ?
O2 C1 . 1.250(4) y
C1 N . 1.331(4) y
C1 H1 . 0.99(3) ?
N C5 . 1.450(4) y
N C2 . 1.449(4) y
C2 H2A . 0.98 ?
C2 H2B . 0.98 ?
C2 H2C . 0.98 ?
C5 H5A . 0.98 ?
C5 H5B . 0.98 ?
C5 H5C . 0.98 ?
C11 C16 . 1.401(4) ?
C11 C12 . 1.401(4) ?
C12 C13 . 1.384(4) ?
C12 H12 . 0.95 ?
C13 C14 . 1.383(5) ?
C13 H13 . 0.95 ?
C14 C15 . 1.383(4) ?
C14 H14 . 0.95 ?
C15 C16 . 1.382(4) ?
C15 H15 . 0.95 ?
C16 H16 . 0.95 ?
C21 C22 . 1.387(4) ?
C21 C26 . 1.399(4) ?
C22 C23 . 1.388(4) ?
C22 H22 . 0.95 ?
C23 C24 . 1.393(4) ?
C23 H23 . 0.95 ?
C24 C25 . 1.381(4) ?
C24 H24 . 0.95 ?
C25 C26 . 1.383(4) ?
C25 H25 . 0.95 ?
C26 H26 . 0.95 ?
K1 K1 3_676 4.143(3) y
K1 K2 4_576 3.9769(15) y
K2 K2 2_645 4.558(2) y
loop_
_geom_hbond_atom_site_label_D
_geom_hbond_atom_site_label_H
_geom_hbond_atom_site_label_A
_geom_hbond_site_symmetry_A
_geom_hbond_distance_DH
_geom_hbond_distance_HA
_geom_hbond_distance_DA
_geom_hbond_angle_DHA
O1 H1A O11 2_645 0.82(4) 1.91(4) 2.711(3) 164(4)
O1 H1B O21 3_666 0.85(3) 1.85(4) 2.686(3) 169(3)
O13 H13A O22 1_565 0.92(3) 1.67(3) 2.573(3) 169(3)
O23 H23A O12 . 0.98(3) 1.61(3) 2.566(3) 164(3)
C1 H1 O21 3_676 0.99(3) 2.47(3) 3.393(4) 156(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_4
_geom_torsion
O22 K1 O1 K2 3_666 2_645 148.83(11)
O21 K1 O1 K2 . 2_645 30.01(11)
O12 K1 O1 K2 . 2_645 -44.61(10)
O13 K1 O1 K2 . 2_645 -40.67(15)
O2 K1 O1 K2 . 2_645 -132.73(10)
O2 K1 O1 K2 3_676 2_645 103.06(16)
O12 P1 O11 K2 . 2_655 -86.07(14)
O13 P1 O11 K2 . 2_655 35.43(16)
C11 P1 O11 K2 . 2_655 152.28(12)
O11 P1 O12 K2 . . -6.79(15)
O13 P1 O12 K2 . . -130.85(11)
C11 P1 O12 K2 . . 115.65(12)
O11 P1 O12 K1 . . 108.30(11)
O13 P1 O12 K1 . . -15.76(12)
C11 P1 O12 K1 . . -129.25(11)
O11 K2 O12 P1 2_645 . 155.80(10)
O1 K2 O12 P1 2_655 . -17.26(12)
O2 K2 O12 P1 2_645 . -104.19(12)
O23 K2 O12 P1 2_655 . 58.28(14)
O11 K2 O12 K1 2_645 . 43.17(8)
O1 K2 O12 K1 2_655 . -129.89(7)
O2 K2 O12 K1 2_645 . 143.18(7)
O23 K2 O12 K1 2_655 . -54.35(10)
O22 K1 O12 P1 3_666 . -136.66(14)
O1 K1 O12 P1 . . -173.27(10)
O21 K1 O12 P1 . . 98.82(10)
O13 K1 O12 P1 . . 10.51(8)
O2 K1 O12 P1 . . -67.29(10)
O2 K1 O12 P1 3_676 . 23.14(12)
O22 K1 O12 K2 3_666 . -15.37(18)
O1 K1 O12 K2 . . -51.98(7)
O21 K1 O12 K2 . . -139.89(8)
O13 K1 O12 K2 . . 131.79(9)
O2 K1 O12 K2 . . 53.99(7)
O2 K1 O12 K2 3_676 . 144.42(7)
O11 P1 O13 K1 . . -111.95(11)
O12 P1 O13 K1 . . 15.15(11)
C11 P1 O13 K1 . . 129.52(11)
O22 K1 O13 P1 3_666 . 148.03(10)
O1 K1 O13 P1 . . -14.92(14)
O21 K1 O13 P1 . . -88.45(10)
O12 K1 O13 P1 . . -9.93(8)
O2 K1 O13 P1 . . 88.38(10)
O2 K1 O13 P1 3_676 . -178.54(11)
O22 P2 O21 K1 . . 84.59(14)
O23 P2 O21 K1 . . -38.54(15)
C21 P2 O21 K1 . . -153.97(11)
O22 K1 O21 P2 3_666 . -105.53(12)
O1 K1 O21 P2 . . -28.13(12)
O12 K1 O21 P2 . . 53.52(11)
O13 K1 O21 P2 . . 105.98(12)
O2 K1 O21 P2 . . 97.0(2)
O2 K1 O21 P2 3_676 . 177.48(12)
O21 P2 O22 K1 . 3_666 -14.06(17)
O23 P2 O22 K1 . 3_666 111.23(13)
C21 P2 O22 K1 . 3_666 -136.44(13)
O21 P2 O22 K2 . 2_645 -112.90(11)
O23 P2 O22 K2 . 2_645 12.39(11)
C21 P2 O22 K2 . 2_645 124.72(10)
O21 P2 O23 K2 . 2_645 116.22(11)
O22 P2 O23 K2 . 2_645 -12.45(11)
C21 P2 O23 K2 . 2_645 -126.07(11)
O22 K1 O2 C1 3_666 . 13.9(2)
O1 K1 O2 C1 . . -64.1(3)
O21 K1 O2 C1 . . 173.8(2)
O12 K1 O2 C1 . . -144.7(2)
O13 K1 O2 C1 . . 164.9(3)
O2 K1 O2 C1 3_676 . 94.0(3)
O22 K1 O2 K2 3_666 2_655 -168.26(8)
O1 K1 O2 K2 . 2_655 113.69(8)
O21 K1 O2 K2 . 2_655 -8.3(2)
O12 K1 O2 K2 . 2_655 33.10(8)
O13 K1 O2 K2 . 2_655 -17.27(7)
O2 K1 O2 K2 3_676 2_655 -88.21(8)
O22 K1 O2 K1 3_666 3_676 -80.05(6)
O1 K1 O2 K1 . 3_676 -158.09(6)
O21 K1 O2 K1 . 3_676 79.88(17)
O12 K1 O2 K1 . 3_676 121.31(6)
O13 K1 O2 K1 . 3_676 70.94(6)
O2 K1 O2 K1 3_676 3_676 0
K2 O2 C1 N 2_655 . -118.9(3)
K1 O2 C1 N . . 58.9(4)
K1 O2 C1 N 3_676 . 151.3(3)
O2 C1 N C5 . . -173.0(3)
O2 C1 N C2 . . 1.1(5)
O11 P1 C11 C16 . . -170.6(2)
O12 P1 C11 C16 . . 62.8(3)
O13 P1 C11 C16 . . -50.7(3)
O11 P1 C11 C12 . . 13.2(3)
O12 P1 C11 C12 . . -113.4(2)
O13 P1 C11 C12 . . 133.1(2)
C16 C11 C12 C13 . . 0.3(4)
P1 C11 C12 C13 . . 176.6(3)
C11 C12 C13 C14 . . -1.1(5)
C12 C13 C14 C15 . . 0.5(5)
C13 C14 C15 C16 . . 0.8(5)
C14 C15 C16 C11 . . -1.6(5)
C12 C11 C16 C15 . . 1.0(4)
P1 C11 C16 C15 . . -175.3(2)
O21 P2 C21 C22 . . -15.3(3)
O22 P2 C21 C22 . . 112.0(2)
O23 P2 C21 C22 . . -134.5(2)
O21 P2 C21 C26 . . 168.6(2)
O22 P2 C21 C26 . . -64.2(2)
O23 P2 C21 C26 . . 49.4(3)
C26 C21 C22 C23 . . 0.0(4)
P2 C21 C22 C23 . . -176.2(2)
C21 C22 C23 C24 . . 0.2(5)
C22 C23 C24 C25 . . -0.2(5)
C23 C24 C25 C26 . . 0.0(5)
C24 C25 C26 C21 . . 0.2(4)
C22 C21 C26 C25 . . -0.2(4)
P2 C21 C26 C25 . . 176.0(2)
