##############################################################################
###                                                                        ###
###        Electronic paper (Acta Crystallographica Section E)             ###
###                                                                        ###
##############################################################################
#                                                                            #
# This CIF contains the data in a paper accepted for publication in Acta     #
# Crystallographica Section E. It conforms to the requirements of Notes      #
# for Authors for Section E, and has been peer reviewed under the auspices   #
# of the IUCr Commission on Journals.                                        #
#                                                                            #
# Full details of the Crystallographic Information File format               #
# are given in the paper "The Crystallographic Information File (CIF):       #
# a New Standard Archive File for Crystallography" by S. R. Hall, F. H.      #
# Allen and I. D. Brown [Acta Cryst. (1991), A47, 655-685].                  #
#                                                                            #
# The current version of the core CIF dictionary is obtainable from          #
# ftp://ftp.iucr.org/pub/cif_core.dic. The current version number is 2.1.    #
#                                                                            #
# Software is freely available for graphical display of the structure(s) in  #
# this CIF.  For information consult the CIF home page http://www.iucr.org/  #
# cif/home.html                                                              #
#                                                                            #
#            Copyright International Union of Crystallography                #
#                                                                            #
##############################################################################
                                             
data_global
_audit_creation_method     'form.cif (version 2.0)'
_journal_data_validation_number     ?
_journal_date_recd_electronic     2006-01-27
_journal_date_accepted     2006-03-14
_journal_name_full     'Acta Crystallographica, Section E'
_journal_year     2006
_journal_volume     62
_journal_issue      4
_journal_page_first     m816
_journal_page_last     m818
_journal_paper_category     EM
_journal_coeditor_code     OM6291
_publ_contact_author_name     'Robert A. burrow'
_publ_contact_author_address
; Departamento de Química
  Universidade Federal de Santa Maria
  Santa Maria, Rio Grande do Sul, 97105-900, Brazil
;
_publ_contact_author_email     rburrow@ewald.base.ufsm.br
_publ_contact_author_fax      6E307(6)
_publ_contact_author_phone      6E307(6)
_publ_section_title
;
Bis(diphenylphosphinato-κO)bis(diphenylphosphinic
acid-κO)bis(pyridine-κN)mercury(II)
;
loop_
    _publ_author_name
    _publ_author_address
    'Márcia R. Siqueira'
; Departamento de Química
  Universidade Federal de Santa Maria
  Rio Grande do Sul, 97119-900, Brazil
;
    'Javier Ellena'
; Instituto de Física
  Universidade de São Paulo
  São Carlos, São Paulo, Brazil
;
    'Robert A. Burrow'
; Departamento de Química
  Universidade Federal de Santa Maria
  Rio Grande do Sul, 97119-900, Brazil
;
data_I
_audit_creation_method     'WinGX routine CIF_UPDATE'
_audit_conform_dict_name     cif_core.dic
_audit_conform_dict_version     2.2
_chemical_name_systematic
;
Bis(diphenylphosphinato-\kO)bis(diphenylphosphinic
acid-\kO)bis(pyridine-\kN)mercury(II)
;
_chemical_formula_moiety     'C58 H52 Hg N2 O8 P4'
_chemical_formula_sum     'C58 H52 Hg N2 O8 P4'
_chemical_formula_iupac     '[Hg (C12 H10 O2 P)2 (C5 H5 N)2 (C12 H11 O2 P)2]'
_chemical_formula_weight     1229.49
_symmetry_cell_setting     triclinic
_symmetry_space_group_name_H-M     'P -1'
_symmetry_space_group_name_Hall     '-P 1'
loop_
    _symmetry_equiv_pos_as_xyz
    'x, y, z'
    '-x, -y, -z'
_cell_length_a     9.4511(3)
_cell_length_b     12.3528(5)
_cell_length_c     12.6391(4)
_cell_angle_alpha     101.853(2)
_cell_angle_beta     109.278(2)
_cell_angle_gamma     95.797(2)
_cell_volume     1340.19(8)
_cell_formula_units_Z     1
_cell_measurement_reflns_used     27102
_cell_measurement_theta_min     2.91
_cell_measurement_theta_max     27.485
_cell_measurement_temperature     200(2)
_exptl_crystal_description     prism
_exptl_crystal_colour     colorless
_exptl_crystal_size_max     0.30
_exptl_crystal_size_mid     0.12
_exptl_crystal_size_min     0.08
_exptl_crystal_density_diffrn     1.523
_exptl_crystal_density_method     'not measured'
_exptl_crystal_F_000     618
_exptl_absorpt_coefficient_mu     3.047
_exptl_absorpt_correction_type     multi-scan
_exptl_absorpt_process_details
;
SADABS (Bruker, 2004)
;
_exptl_absorpt_correction_T_min     0.630
_exptl_absorpt_correction_T_max     0.784
_exptl_special_details
;
 ?
;
_diffrn_ambient_temperature     200(2)
_diffrn_radiation_type     MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_radiation_monochromator     graphite
_diffrn_measurement_device_type     'Nonius KappaCCD'
_diffrn_measurement_device     '95mm CCD camera on κ-goniostat'
_diffrn_measurement_method     'CCD rotation images, thick slices'
_diffrn_reflns_number     25466
_diffrn_reflns_av_R_equivalents     0.0784
_diffrn_reflns_theta_min     3.13
_diffrn_reflns_theta_max     27.65
_diffrn_reflns_theta_full     27.65
_diffrn_measured_fraction_theta_max     0.983
_diffrn_measured_fraction_theta_full     0.983
_diffrn_reflns_limit_h_min     -12
_diffrn_reflns_limit_h_max     11
_diffrn_reflns_limit_k_min     -16
_diffrn_reflns_limit_k_max     15
_diffrn_reflns_limit_l_min     -16
_diffrn_reflns_limit_l_max     16
_refine_special_details
;
 Refinement of F² against ALL reflections.  The weighted R-factor wR
and
 goodness of fit S are based on F², conventional R-factors R are based
 on F, with F set to zero for negative F². The threshold expression of
 F² > 2sigma(F²) is used only for calculating R-factors(gt) etc. and
is
 not relevant to the choice of reflections for refinement.  R-factors
based
 on F² are statistically about twice as large as those based on F, and
R-
 factors based on ALL data will be even larger.
;
_reflns_number_total     6145
_reflns_number_gt     5482
_reflns_threshold_expression     I>2σ(I)
_refine_ls_structure_factor_coef     Fsqd
_refine_ls_matrix_type     full
_refine_ls_R_factor_all     0.0571
_refine_ls_R_factor_gt     0.0466
_refine_ls_wR_factor_gt     0.1100
_refine_ls_wR_factor_ref     0.1152
_refine_ls_goodness_of_fit_ref     1.022
_refine_ls_number_reflns     6145
_refine_ls_number_parameters     332
_refine_ls_number_restraints     0
_refine_ls_hydrogen_treatment     constr
_refine_ls_weighting_scheme     calc
_refine_ls_weighting_details
         'calc w=1/[σ²(Fo²)+(0.0663P)²+1.7278P] where P=(Fo²+2Fc²)/3'
_atom_sites_solution_hydrogens     geom
_atom_sites_solution_primary     direct
_atom_sites_solution_secondary     difmap
_refine_ls_shift/su_max     0.001
_refine_ls_shift/su_mean     0.000
_refine_diff_density_max     3.141
_refine_diff_density_min     -1.506
_refine_ls_extinction_method     SHELXL97
_refine_ls_extinction_coef     0.0051(10)
_refine_ls_extinction_expression
                                    Fc^*^=kFc[1+0.001xFc²λ³/sin(2θ)]^-1/4^
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'
    Hg Hg -2.3894 9.2266 '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'
_computing_data_collection     'Collect (Nonius, 2000)'
_computing_cell_refinement     'Scalepack (Otwinowski & Minor, 1997)'
_computing_data_reduction     'Denzo (Otwinowski & Minor, 1997) and Scalepack'
_computing_structure_solution     'SHELXS97 (Sheldrick, 1997)'
_computing_structure_refinement     'SHELXL97 (Sheldrick, 1997)'
_computing_molecular_graphics     'DIAMOND (Crystal Impact, 2005)'
_computing_publication_material     'WinGX (Farrugia, 1999)'
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
    Hg Hg 0 0 0.5 0.02908(12) Uani d S 1 . .
    P P1 -0.04995(14) 0.22697(10) 0.72322(11) 0.0289(3) Uani d . 1 . .
    P P2 0.05597(14) 0.10971(10) 0.25214(10) 0.0273(3) Uani d . 1 . .
    O O11 -0.1006(4) 0.1574(3) 0.6019(3) 0.0402(9) Uani d . 1 . .
    O O12 -0.0763(4) 0.1714(3) 0.8148(3) 0.0345(8) Uani d . 1 . .
    O O21 0.0820(4) 0.1152(3) 0.3764(3) 0.0331(8) Uani d . 1 . .
    O O22 -0.0290(4) -0.0009(3) 0.1629(3) 0.0316(7) Uani d . 1 . .
    H H22 0.0172 -0.0532 0.1798 0.047 Uiso calc R 1 . .
    N N1 0.2394(4) 0.0420(3) 0.6090(3) 0.0269(8) Uani d . 1 . .
    C C1 0.3420(6) 0.0624(4) 0.5598(4) 0.0321(10) Uani d . 1 . .
    H H1 0.3076 0.056 0.4788 0.039 Uiso calc R 1 . .
    C C2 0.4965(6) 0.0926(4) 0.6242(4) 0.0335(11) Uani d . 1 . .
    H H2 0.567 0.107 0.5876 0.04 Uiso calc R 1 . .
    C C3 0.5474(6) 0.1016(5) 0.7415(5) 0.0360(11) Uani d . 1 . .
    H H3 0.653 0.1228 0.7872 0.043 Uiso calc R 1 . .
    C C4 0.4412(6) 0.0792(5) 0.7916(4) 0.0349(11) Uani d . 1 . .
    H H4 0.4731 0.0838 0.8723 0.042 Uiso calc R 1 . .
    C C5 0.2888(5) 0.0502(4) 0.7232(4) 0.0292(10) Uani d . 1 . .
    H H5 0.2163 0.0355 0.758 0.035 Uiso calc R 1 . .
    C C111 0.1518(5) 0.2851(4) 0.7752(4) 0.0291(10) Uani d . 1 . .
    C C112 0.2174(6) 0.3126(5) 0.6981(5) 0.0400(12) Uani d . 1 . .
    H H112 0.1577 0.2988 0.6181 0.048 Uiso calc R 1 . .
    C C113 0.3722(7) 0.3607(5) 0.7397(6) 0.0481(15) Uani d . 1 . .
    H H113 0.4179 0.3808 0.6882 0.058 Uiso calc R 1 . .
    C C114 0.4579(6) 0.3789(5) 0.8553(6) 0.0483(15) Uani d . 1 . .
    H H114 0.563 0.4114 0.8831 0.058 Uiso calc R 1 . .
    C C115 0.3939(6) 0.3506(5) 0.9318(6) 0.0444(14) Uani d . 1 . .
    H H115 0.4544 0.3638 1.0116 0.053 Uiso calc R 1 . .
    C C116 0.2400(6) 0.3025(4) 0.8914(5) 0.0341(11) Uani d . 1 . .
    H H116 0.1956 0.2816 0.9433 0.041 Uiso calc R 1 . .
    C C121 -0.1424(6) 0.3468(4) 0.7285(5) 0.0356(11) Uani d . 1 . .
    C C122 -0.2221(8) 0.3733(6) 0.6265(7) 0.0619(18) Uani d . 1 . .
    H H122 -0.2306 0.3272 0.5538 0.074 Uiso calc R 1 . .
    C C123 -0.2895(10) 0.4682(8) 0.6319(10) 0.085(3) Uani d . 1 . .
    H H123 -0.3488 0.484 0.5618 0.103 Uiso calc R 1 . .
    C C124 -0.2731(9) 0.5389(6) 0.7346(11) 0.078(3) Uani d . 1 . .
    H H124 -0.3165 0.605 0.7363 0.093 Uiso calc R 1 . .
    C C125 -0.1938(8) 0.5137(5) 0.8344(8) 0.064(2) Uani d . 1 . .
    H H125 -0.1832 0.5621 0.9066 0.077 Uiso calc R 1 . .
    C C126 -0.1282(7) 0.4187(5) 0.8330(6) 0.0452(14) Uani d . 1 . .
    H H126 -0.0729 0.4024 0.9039 0.054 Uiso calc R 1 . .
    C C211 -0.0512(5) 0.2157(4) 0.2075(4) 0.0292(10) Uani d . 1 . .
    C C212 -0.0541(6) 0.3063(5) 0.2925(5) 0.0396(12) Uani d . 1 . .
    H H212 -0.005 0.3095 0.3722 0.048 Uiso calc R 1 . .
    C C213 -0.1295(7) 0.3920(5) 0.2600(6) 0.0465(14) Uani d . 1 . .
    H H213 -0.1303 0.4544 0.3178 0.056 Uiso calc R 1 . .
    C C214 -0.2026(6) 0.3872(5) 0.1451(6) 0.0450(14) Uani d . 1 . .
    H H214 -0.254 0.446 0.1236 0.054 Uiso calc R 1 . .
    C C215 -0.2014(6) 0.2967(5) 0.0609(5) 0.0422(13) Uani d . 1 . .
    H H215 -0.253 0.2932 -0.0185 0.051 Uiso calc R 1 . .
    C C216 -0.1262(6) 0.2114(5) 0.0909(5) 0.0358(11) Uani d . 1 . .
    H H216 -0.1254 0.1497 0.0322 0.043 Uiso calc R 1 . .
    C C221 0.2352(5) 0.1409(4) 0.2327(4) 0.0304(10) Uani d . 1 . .
    C C222 0.2407(6) 0.1150(5) 0.1221(5) 0.0383(12) Uani d . 1 . .
    H H222 0.1504 0.0793 0.0577 0.046 Uiso calc R 1 . .
    C C223 0.3757(7) 0.1403(6) 0.1045(6) 0.0495(15) Uani d . 1 . .
    H H223 0.377 0.123 0.0281 0.059 Uiso calc R 1 . .
    C C224 0.5086(7) 0.1904(6) 0.1971(6) 0.0530(16) Uani d . 1 . .
    H H224 0.6015 0.2066 0.1848 0.064 Uiso calc R 1 . .
    C C225 0.5052(7) 0.2164(5) 0.3065(6) 0.0508(15) Uani d . 1 . .
    H H225 0.5967 0.2509 0.3703 0.061 Uiso calc R 1 . .
    C C226 0.3694(6) 0.1931(5) 0.3264(5) 0.0379(12) Uani d . 1 . .
    H H226 0.3684 0.2125 0.4029 0.045 Uiso calc R 1 . .
_geom_special_details
;
 All esds (except the esd in the dihedral angle between two l.s. planes)
 are estimated using the full covariance matrix.  The cell esds are
taken
 into account individually in the estimation of esds in distances,
angles
 and torsion angles; correlations between esds in cell parameters are
only
 used when they are defined by crystal symmetry.  An approximate
(isotropic)
 treatment of cell esds is used for estimating esds involving l.s.
planes.
;
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
    Hg N1 . 2.168(4) y
    Hg O11 . 2.549(4) y
    Hg O21 . 2.561(3) y
    P1 O11 . 1.487(4) y
    P1 O12 . 1.534(4) y
    P1 C121 . 1.794(5) n
    P1 C111 . 1.812(5) n
    P2 O21 . 1.493(4) y
    P2 O22 . 1.527(4) y
    P2 C211 . 1.804(5) n
    P2 C221 . 1.806(5) n
    O22 H22 . 0.84 y
    N1 C5 . 1.340(6) n
    N1 C1 . 1.343(6) n
    C1 C2 . 1.384(7) n
    C1 H1 . 0.95 n
    C2 C3 . 1.376(7) n
    C2 H2 . 0.95 n
    C3 C4 . 1.386(7) n
    C3 H3 . 0.95 n
    C4 C5 . 1.377(7) n
    C4 H4 . 0.95 n
    C5 H5 . 0.95 n
    C111 C116 . 1.387(7) n
    C111 C112 . 1.395(8) n
    C112 C113 . 1.399(8) n
    C112 H112 . 0.95 n
    C113 C114 . 1.374(10) n
    C113 H113 . 0.95 n
    C114 C115 . 1.380(9) n
    C114 H114 . 0.95 n
    C115 C116 . 1.392(8) n
    C115 H115 . 0.95 n
    C116 H116 . 0.95 n
    C121 C122 . 1.385(9) n
    C121 C126 . 1.388(8) n
    C122 C123 . 1.389(11) n
    C122 H122 . 0.95 n
    C123 C124 . 1.359(14) n
    C123 H123 . 0.95 n
    C124 C125 . 1.355(13) n
    C124 H124 . 0.95 n
    C125 C126 . 1.381(9) n
    C125 H125 . 0.95 n
    C126 H126 . 0.95 n
    C211 C212 . 1.392(7) n
    C211 C216 . 1.396(7) n
    C212 C213 . 1.391(8) n
    C212 H212 . 0.95 n
    C213 C214 . 1.372(9) n
    C213 H213 . 0.95 n
    C214 C215 . 1.380(9) n
    C214 H214 . 0.95 n
    C215 C216 . 1.377(8) n
    C215 H215 . 0.95 n
    C216 H216 . 0.95 n
    C221 C222 . 1.388(7) n
    C221 C226 . 1.399(7) n
    C222 C223 . 1.382(8) n
    C222 H222 . 0.95 n
    C223 C224 . 1.381(10) n
    C223 H223 . 0.95 n
    C224 C225 . 1.365(10) n
    C224 H224 . 0.95 n
    C225 C226 . 1.401(8) n
    C225 H225 . 0.95 n
    C226 H226 . 0.95 n
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
    N1 Hg O11 . 2_556 79.77(13) y
    N1 Hg O11 . . 100.23(13) ?
    N1 Hg O21 . 2_556 95.71(13) y
    O11 Hg O21 2_556 2_556 95.02(12) y
    O11 Hg O21 . 2_556 84.98(12) y
    N1 Hg O21 . . 84.29(13) ?
    N1 Hg O21 2_556 . 95.71(13) ?
    O11 Hg O21 2_556 . 84.98(12) ?
    O11 Hg O21 . . 95.02(12) y
    O11 P1 O12 . . 118.1(2) y
    O11 P1 C121 . . 110.0(2) ?
    O12 P1 C121 . . 105.8(2) ?
    O11 P1 C111 . . 110.1(2) ?
    O12 P1 C111 . . 106.9(2) ?
    C121 P1 C111 . . 105.0(2) ?
    O21 P2 O22 . . 117.7(2) y
    O21 P2 C211 . . 109.9(2) ?
    O22 P2 C211 . . 105.9(2) ?
    O21 P2 C221 . . 110.5(2) ?
    O22 P2 C221 . . 106.0(2) ?
    C211 P2 C221 . . 106.3(2) ?
    P1 O11 Hg . . 133.7(2) y
    P2 O21 Hg . . 139.8(2) y
    P2 O22 H22 . . 109.5 y
    C5 N1 C1 . . 118.9(4) ?
    C5 N1 Hg . . 122.9(3) ?
    C1 N1 Hg . . 118.2(3) ?
    N1 C1 C2 . . 121.7(5) ?
    N1 C1 H1 . . 119.2 ?
    C2 C1 H1 . . 119.2 ?
    C3 C2 C1 . . 119.5(5) ?
    C3 C2 H2 . . 120.2 ?
    C1 C2 H2 . . 120.2 ?
    C2 C3 C4 . . 118.6(5) ?
    C2 C3 H3 . . 120.7 ?
    C4 C3 H3 . . 120.7 ?
    C5 C4 C3 . . 119.2(5) ?
    C5 C4 H4 . . 120.4 ?
    C3 C4 H4 . . 120.4 ?
    N1 C5 C4 . . 122.1(4) ?
    N1 C5 H5 . . 118.9 ?
    C4 C5 H5 . . 118.9 ?
    C116 C111 C112 . . 120.3(5) ?
    C116 C111 P1 . . 120.0(4) ?
    C112 C111 P1 . . 119.7(4) ?
    C111 C112 C113 . . 119.3(6) ?
    C111 C112 H112 . . 120.4 ?
    C113 C112 H112 . . 120.4 ?
    C114 C113 C112 . . 119.9(6) ?
    C114 C113 H113 . . 120.1 ?
    C112 C113 H113 . . 120.1 ?
    C113 C114 C115 . . 121.1(5) ?
    C113 C114 H114 . . 119.4 ?
    C115 C114 H114 . . 119.4 ?
    C114 C115 C116 . . 119.6(6) ?
    C114 C115 H115 . . 120.2 ?
    C116 C115 H115 . . 120.2 ?
    C111 C116 C115 . . 119.9(5) ?
    C111 C116 H116 . . 120.0 ?
    C115 C116 H116 . . 120.0 ?
    C122 C121 C126 . . 118.5(6) ?
    C122 C121 P1 . . 119.7(5) ?
    C126 C121 P1 . . 121.6(4) ?
    C121 C122 C123 . . 119.2(8) ?
    C121 C122 H122 . . 120.4 ?
    C123 C122 H122 . . 120.4 ?
    C124 C123 C122 . . 121.8(8) ?
    C124 C123 H123 . . 119.1 ?
    C122 C123 H123 . . 119.1 ?
    C125 C124 C123 . . 119.0(7) ?
    C125 C124 H124 . . 120.5 ?
    C123 C124 H124 . . 120.5 ?
    C124 C125 C126 . . 121.0(8) ?
    C124 C125 H125 . . 119.5 ?
    C126 C125 H125 . . 119.5 ?
    C125 C126 C121 . . 120.4(7) ?
    C125 C126 H126 . . 119.8 ?
    C121 C126 H126 . . 119.8 ?
    C212 C211 C216 . . 119.5(5) ?
    C212 C211 P2 . . 118.5(4) ?
    C216 C211 P2 . . 121.9(4) ?
    C213 C212 C211 . . 119.6(5) ?
    C213 C212 H212 . . 120.2 ?
    C211 C212 H212 . . 120.2 ?
    C214 C213 C212 . . 120.6(6) ?
    C214 C213 H213 . . 119.7 ?
    C212 C213 H213 . . 119.7 ?
    C213 C214 C215 . . 119.8(5) ?
    C213 C214 H214 . . 120.1 ?
    C215 C214 H214 . . 120.1 ?
    C216 C215 C214 . . 120.7(5) ?
    C216 C215 H215 . . 119.6 ?
    C214 C215 H215 . . 119.6 ?
    C215 C216 C211 . . 119.8(5) ?
    C215 C216 H216 . . 120.1 ?
    C211 C216 H216 . . 120.1 ?
    C222 C221 C226 . . 118.7(5) ?
    C222 C221 P2 . . 119.7(4) ?
    C226 C221 P2 . . 121.7(4) ?
    C223 C222 C221 . . 120.8(5) ?
    C223 C222 H222 . . 119.6 ?
    C221 C222 H222 . . 119.6 ?
    C224 C223 C222 . . 120.5(6) ?
    C224 C223 H223 . . 119.7 ?
    C222 C223 H223 . . 119.7 ?
    C225 C224 C223 . . 119.4(6) ?
    C225 C224 H224 . . 120.3 ?
    C223 C224 H224 . . 120.3 ?
    C224 C225 C226 . . 121.2(6) ?
    C224 C225 H225 . . 119.4 ?
    C226 C225 H225 . . 119.4 ?
    C221 C226 C225 . . 119.4(5) ?
    C221 C226 H226 . . 120.3 ?
    C225 C226 H226 . . 120.3 ?
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
    O12 P1 O11 Hg . . . . -73.5(4) y
    C121 P1 O11 Hg . . . . 165.0(3) n
    C111 P1 O11 Hg . . . . 49.7(4) n
    N1 Hg O11 P1 . . . . -26.9(3) y
    N1 Hg O11 P1 2_556 . . . 153.1(3) y
    O21 Hg O11 P1 2_556 . . . 68.0(3) y
    O21 Hg O11 P1 . . . . -112.0(3) y
    O22 P2 O21 Hg . . . . -10.1(4) y
    C211 P2 O21 Hg . . . . 111.1(3) ?
    C221 P2 O21 Hg . . . . -131.9(3) ?
    N1 Hg O21 P2 . . . . 136.2(3) y
    N1 Hg O21 P2 2_556 . . . -43.8(3) y
    O11 Hg O21 P2 2_556 . . . 56.1(3) y
    O11 Hg O21 P2 . . . . -123.9(3) y
    O11 Hg N1 C5 2_556 . . . -122.3(4) ?
    O11 Hg N1 C5 . . . . 57.7(4) ?
    O21 Hg N1 C5 2_556 . . . -28.3(4) ?
    O21 Hg N1 C5 . . . . 151.7(4) ?
    O11 Hg N1 C1 2_556 . . . 58.8(4) ?
    O11 Hg N1 C1 . . . . -121.2(4) ?
    O21 Hg N1 C1 2_556 . . . 152.9(4) ?
    O21 Hg N1 C1 . . . . -27.1(4) ?
    C5 N1 C1 C2 . . . . -0.6(7) ?
    Hg N1 C1 C2 . . . . 178.3(4) ?
    N1 C1 C2 C3 . . . . 0.3(8) ?
    C1 C2 C3 C4 . . . . 0.5(8) ?
    C2 C3 C4 C5 . . . . -0.8(8) ?
    C1 N1 C5 C4 . . . . 0.2(7) ?
    Hg N1 C5 C4 . . . . -178.6(4) ?
    C3 C4 C5 N1 . . . . 0.5(8) ?
    O11 P1 C111 C116 . . . . -147.7(4) ?
    O12 P1 C111 C116 . . . . -18.2(4) ?
    C121 P1 C111 C116 . . . . 93.9(4) ?
    O11 P1 C111 C112 . . . . 32.6(5) ?
    O12 P1 C111 C112 . . . . 162.1(4) ?
    C121 P1 C111 C112 . . . . -85.8(4) ?
    C116 C111 C112 C113 . . . . -1.7(8) ?
    P1 C111 C112 C113 . . . . 178.0(4) ?
    C111 C112 C113 C114 . . . . 0.9(8) ?
    C112 C113 C114 C115 . . . . -0.1(9) ?
    C113 C114 C115 C116 . . . . 0.2(9) ?
    C112 C111 C116 C115 . . . . 1.8(7) ?
    P1 C111 C116 C115 . . . . -177.9(4) ?
    C114 C115 C116 C111 . . . . -1.1(8) ?
    O11 P1 C121 C122 . . . . -11.5(6) ?
    O12 P1 C121 C122 . . . . -140.2(5) ?
    C111 P1 C121 C122 . . . . 107.0(5) ?
    O11 P1 C121 C126 . . . . 172.7(4) ?
    O12 P1 C121 C126 . . . . 44.1(5) ?
    C111 P1 C121 C126 . . . . -68.8(5) ?
    C126 C121 C122 C123 . . . . -2.3(10) ?
    P1 C121 C122 C123 . . . . -178.1(6) ?
    C121 C122 C123 C124 . . . . 3.4(13) ?
    C122 C123 C124 C125 . . . . -2.7(13) ?
    C123 C124 C125 C126 . . . . 1.0(11) ?
    C124 C125 C126 C121 . . . . 0.0(10) ?
    C122 C121 C126 C125 . . . . 0.7(9) ?
    P1 C121 C126 C125 . . . . 176.5(5) ?
    O21 P2 C211 C212 . . . . 19.6(5) ?
    O22 P2 C211 C212 . . . . 147.7(4) ?
    C221 P2 C211 C212 . . . . -99.9(4) ?
    O21 P2 C211 C216 . . . . -162.6(4) ?
    O22 P2 C211 C216 . . . . -34.6(5) ?
    C221 P2 C211 C216 . . . . 77.9(5) ?
    C216 C211 C212 C213 . . . . -1.1(8) ?
    P2 C211 C212 C213 . . . . 176.7(4) ?
    C211 C212 C213 C214 . . . . 0.9(9) ?
    C212 C213 C214 C215 . . . . -0.1(9) ?
    C213 C214 C215 C216 . . . . -0.6(9) ?
    C214 C215 C216 C211 . . . . 0.5(8) ?
    C212 C211 C216 C215 . . . . 0.4(8) ?
    P2 C211 C216 C215 . . . . -177.4(4) ?
    O21 P2 C221 C222 . . . . 164.8(4) ?
    O22 P2 C221 C222 . . . . 36.4(5) ?
    C211 P2 C221 C222 . . . . -76.0(5) ?
    O21 P2 C221 C226 . . . . -16.5(5) ?
    O22 P2 C221 C226 . . . . -145.0(4) ?
    C211 P2 C221 C226 . . . . 102.6(5) ?
    C226 C221 C222 C223 . . . . -0.2(8) ?
    P2 C221 C222 C223 . . . . 178.5(4) ?
    C221 C222 C223 C224 . . . . 1.1(9) ?
    C222 C223 C224 C225 . . . . -1.0(10) ?
    C223 C224 C225 C226 . . . . 0.0(10) ?
    C222 C221 C226 C225 . . . . -0.8(8) ?
    P2 C221 C226 C225 . . . . -179.4(4) ?
    C224 C225 C226 C221 . . . . 0.8(9) ?
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
    O22 H22 O12 2_556 0.84 1.62 2.447(5) 167
