#------------------------------------------------------------------------------
#$Date: 2016-04-05 20:18:43 +0300 (Tue, 05 Apr 2016) $
#$Revision: 181713 $
#$URL: svn://www.crystallography.net/cod/cif/7/03/55/7035589.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_7035589
loop_
_publ_author_name
'Bispinghoff, Mark'
'Tondreau, Aaron M.'
'Grützmacher, Hansjörg'
'Faradji, Charly A.'
'Pringle, Paul G.'
_publ_section_title
;
 Carbene insertion into a P-H bond: parent phosphinidene-carbene adducts
 from PH3 and bis(phosphinidene)mercury complexes.
;
_journal_issue                   14
_journal_name_full
'Dalton transactions (Cambridge, England : 2003)'
_journal_page_first              5999
_journal_page_last               6003
_journal_paper_doi               10.1039/c5dt01741f
_journal_volume                  45
_journal_year                    2016
_chemical_formula_moiety         'C54 H76 Hg N4 P2'
_chemical_formula_sum            'C54 H76 Hg N4 P2'
_chemical_formula_weight         1043.71
_chemical_name_systematic
bis((1,3-bis(2,6-diisopropylphenyl)imidazolidin-2-ylidene)phosphanyl)mercury
_chemical_properties_physical
'Air-sensitive, Moisture-sensitive, Oxygen-sensitive'
_space_group_crystal_system      triclinic
_space_group_IT_number           2
_space_group_name_Hall           '-P 1'
_space_group_name_H-M_alt        'P -1'
_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
_audit_creation_date             2015-03-24
_audit_creation_method
;
Olex2 1.2
(compiled 2015.01.26 svn.r3150 for OlexSys, GUI svn.r4998)
;
_audit_update_record
;
2015-03-25 deposited with the CCDC.
2015-06-30 downloaded from the CCDC.
;
_cell_angle_alpha                103.816(6)
_cell_angle_beta                 110.797(5)
_cell_angle_gamma                96.922(6)
_cell_formula_units_Z            1
_cell_length_a                   10.7696(5)
_cell_length_b                   11.0160(10)
_cell_length_c                   12.2625(6)
_cell_measurement_reflns_used    3543
_cell_measurement_temperature    106.22(15)
_cell_measurement_theta_max      28.7590
_cell_measurement_theta_min      3.0760
_cell_volume                     1286.44(17)
_computing_cell_refinement
;
CrysAlisPro, Agilent Technologies,
Version 1.171.37.35 (release 13-08-2014 CrysAlis171 .NET)
(compiled Aug 13 2014,18:06:01)
;
_computing_data_collection
;
CrysAlisPro, Agilent Technologies,
Version 1.171.37.35 (release 13-08-2014 CrysAlis171 .NET)
(compiled Aug 13 2014,18:06:01)
;
_computing_data_reduction
;
CrysAlisPro, Agilent Technologies,
Version 1.171.37.35 (release 13-08-2014 CrysAlis171 .NET)
(compiled Aug 13 2014,18:06:01)
;
_computing_molecular_graphics    'Olex2 (Dolomanov et al., 2009)'
_computing_publication_material  'Olex2 (Dolomanov et al., 2009)'
_computing_structure_refinement  'ShelXL (Sheldrick, 2008)'
_computing_structure_solution    'ShelXT (Sheldrick, 2015)'
_diffrn_ambient_environment      N~2~
_diffrn_ambient_temperature      106.22(15)
_diffrn_detector                 'CCD plate'
_diffrn_detector_area_resol_mean 16.0839
_diffrn_detector_type            Sapphire3
_diffrn_measured_fraction_theta_full 0.999
_diffrn_measured_fraction_theta_max 0.999
_diffrn_measurement_details
;
  1 omega    6.00   92.00   1.0000   15.0000
omega____ theta____ kappa____ phi______ frames
    -       27.1678   57.0000   90.0000 86

  2 omega  -11.00   69.00   1.0000   15.0000
omega____ theta____ kappa____ phi______ frames
    -       27.1678  -99.0000 -180.0000 80

  3 omega   19.00   69.00   1.0000   15.0000
omega____ theta____ kappa____ phi______ frames
    -       27.1678  -99.0000  -30.0000 50

  4 omega  -42.00   45.00   1.0000   15.0000
omega____ theta____ kappa____ phi______ frames
    -       27.1678  -57.0000 -150.0000 87

  5 omega   39.00   67.00   1.0000   15.0000
omega____ theta____ kappa____ phi______ frames
    -       27.1678  -99.0000   90.0000 28

  6 omega  -17.00   95.00   1.0000   15.0000
omega____ theta____ kappa____ phi______ frames
    -       27.1678   19.0000   30.0000 112

  7 omega -103.00  -54.00   1.0000   15.0000
omega____ theta____ kappa____ phi______ frames
    -      -26.5428 -179.0000  -60.0000 49
;
_diffrn_measurement_device       'four-circle diffractometer'
_diffrn_measurement_device_type  'Xcalibur, Sapphire3'
_diffrn_measurement_method       'ω scans'
_diffrn_orient_matrix_UB_11      0.0257500000
_diffrn_orient_matrix_UB_12      0.0670539000
_diffrn_orient_matrix_UB_13      0.0163706000
_diffrn_orient_matrix_UB_21      0.0608117000
_diffrn_orient_matrix_UB_22      -0.0049282000
_diffrn_orient_matrix_UB_23      0.0450613000
_diffrn_orient_matrix_UB_31      0.0294940000
_diffrn_orient_matrix_UB_32      -0.0106301000
_diffrn_orient_matrix_UB_33      -0.0437969000
_diffrn_radiation_monochromator  graphite
_diffrn_radiation_probe          x-ray
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_reflns_av_R_equivalents  0.0548
_diffrn_reflns_av_unetI/netI     0.0815
_diffrn_reflns_Laue_measured_fraction_full 0.999
_diffrn_reflns_Laue_measured_fraction_max 0.999
_diffrn_reflns_limit_h_max       13
_diffrn_reflns_limit_h_min       -13
_diffrn_reflns_limit_k_max       12
_diffrn_reflns_limit_k_min       -13
_diffrn_reflns_limit_l_max       15
_diffrn_reflns_limit_l_min       -15
_diffrn_reflns_number            10844
_diffrn_reflns_point_group_measured_fraction_full 0.999
_diffrn_reflns_point_group_measured_fraction_max 0.999
_diffrn_reflns_theta_full        25.242
_diffrn_reflns_theta_max         26.370
_diffrn_reflns_theta_min         2.855
_diffrn_source                   'Enhance (Mo) X-ray Source'
_exptl_absorpt_coefficient_mu    3.091
_exptl_absorpt_correction_T_max  1.00000
_exptl_absorpt_correction_T_min  0.74571
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details
;
CrysAlisPro, Agilent Technologies,
Version 1.171.37.35 (release 13-08-2014 CrysAlis171 .NET)
(compiled Aug 13 2014,18:06:01)
Empirical absorption correction using spherical harmonics,
 implemented in SCALE3 ABSPACK scaling algorithm.
Empirical absorption correction using spherical harmonics,
 implemented in SCALE3 ABSPACK scaling algorithm.
;
_exptl_crystal_colour            'clear pale yellow'
_exptl_crystal_density_diffrn    1.347
_exptl_crystal_description       trapezoid
_exptl_crystal_F_000             538
_exptl_crystal_recrystallization_method
'Re-crystallisation from solvent: toluene'
_exptl_crystal_size_max          0.16
_exptl_crystal_size_mid          0.12
_exptl_crystal_size_min          0.08
_refine_diff_density_max         4.591
_refine_diff_density_min         -3.192
_refine_diff_density_rms         0.167
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.044
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     285
_refine_ls_number_reflns         5259
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      1.044
_refine_ls_R_factor_all          0.0524
_refine_ls_R_factor_gt           0.0513
_refine_ls_shift/su_max          0.000
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'w=1/[σ²(Fo²)+(0.0613P)²] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1132
_refine_ls_wR_factor_ref         0.1139
_reflns_Friedel_coverage         0.000
_reflns_number_gt                5170
_reflns_number_total             5259
_reflns_threshold_expression     'I > 2σ(I)'
_cod_data_source_file            c5dt01741f2.cif
_cod_data_source_block           Hg(DippNHCstar=P)2
_cod_depositor_comments
'Adding full bibliography for 7035586--7035589.cif.'
_cod_original_cell_volume        1286.44(16)
_cod_database_code               7035589
_chemical_oxdiff_formula         ' C27H38Hg0.5N2P'
_shelx_space_group_comment
;
The symmetry employed for this shelxl refinement is uniquely defined
by the following loop, which should always be used as a source of
symmetry information in preference to the above space-group names.
They are only intended as comments.
;
_reflns_odcompleteness_completeness 99.87
_reflns_odcompleteness_iscentric 1
_reflns_odcompleteness_theta     26.32
_olex2_refinement_description
;
1. Fixed Uiso
 At 1.2 times of:
  All C(H) groups, All C(H,H) groups
 At 1.5 times of:
  All C(H,H,H) groups
2.a Ternary CH refined with riding coordinates:
 C13(H13), C10(H10), C22(H22), C25(H25)
2.b Secondary CH2 refined with riding coordinates:
 C2(H2A,H2B), C3(H3A,H3B)
2.c Aromatic/amide H refined with riding coordinates:
 C6(H6), C8(H8), C7(H7), C18(H18), C19(H19), C20(H20)
2.d Idealised Me refined as rotating group:
 C24(H24A,H24B,H24C), C14(H14A,H14B,H14C), C15(H15A,H15B,H15C), C26(H26A,H26B,
 H26C), C23(H23A,H23B,H23C), C11(H11A,H11B,H11C), C27(H27A,H27B,H27C), C12(H12A,
 H12B,H12C)
;
_shelx_shelxl_version_number     2014/7
_olex2_submission_special_instructions 'No special instructions were received'
loop_
_space_group_symop_operation_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_site_symmetry_order
_atom_site_calc_flag
_atom_site_refinement_flags_posn
_atom_site_refinement_flags_adp
_atom_site_refinement_flags_occupancy
Hg1 Hg 1.0000 0.5000 0.5000 0.01953(11) Uani 1 2 d S T P
P1 P 0.80472(14) 0.43914(14) 0.30834(12) 0.0220(3) Uani 1 1 d . . .
N1 N 0.8040(4) 0.1849(4) 0.3296(4) 0.0204(9) Uani 1 1 d . . .
N2 N 0.6466(4) 0.2014(4) 0.1622(4) 0.0206(10) Uani 1 1 d . . .
C4 C 0.8817(5) 0.2172(5) 0.4584(5) 0.0214(11) Uani 1 1 d . . .
C9 C 0.8197(5) 0.2547(5) 0.5409(5) 0.0221(11) Uani 1 1 d . . .
C1 C 0.7542(5) 0.2719(6) 0.2709(5) 0.0210(11) Uani 1 1 d . . .
C2 C 0.7136(5) 0.0557(6) 0.2672(5) 0.0239(12) Uani 1 1 d . . .
H2A H 0.6518 0.0389 0.3060 0.029 Uiso 1 1 calc R . .
H2B H 0.7654 -0.0104 0.2653 0.029 Uiso 1 1 calc R . .
C6 C 1.0882(6) 0.2218(6) 0.6231(5) 0.0292(13) Uani 1 1 d . . .
H6 H 1.1771 0.2108 0.6517 0.035 Uiso 1 1 calc R . .
C13 C 0.6722(6) 0.2666(6) 0.4996(5) 0.0257(12) Uani 1 1 d . . .
H13 H 0.6371 0.2546 0.4113 0.031 Uiso 1 1 calc R . .
C5 C 1.0150(5) 0.1973(6) 0.4984(5) 0.0237(12) Uani 1 1 d . . .
C3 C 0.6374(6) 0.0644(6) 0.1397(5) 0.0260(12) Uani 1 1 d . . .
H3A H 0.6809 0.0323 0.0852 0.031 Uiso 1 1 calc R . .
H3B H 0.5433 0.0171 0.1050 0.031 Uiso 1 1 calc R . .
C8 C 0.8977(6) 0.2788(6) 0.6645(5) 0.0298(13) Uani 1 1 d . . .
H8 H 0.8603 0.3064 0.7212 0.036 Uiso 1 1 calc R . .
C16 C 0.5879(5) 0.2512(5) 0.0616(5) 0.0208(11) Uani 1 1 d . . .
C24 C 0.9029(6) 0.3686(7) 0.0335(6) 0.0374(15) Uani 1 1 d . . .
H24A H 0.8758 0.3940 -0.0396 0.056 Uiso 1 1 calc GR . .
H24B H 0.9923 0.3514 0.0524 0.056 Uiso 1 1 calc GR . .
H24C H 0.9045 0.4364 0.1001 0.056 Uiso 1 1 calc GR . .
C7 C 1.0294(6) 0.2625(6) 0.7048(5) 0.0316(14) Uani 1 1 d . . .
H7 H 1.0796 0.2792 0.7881 0.038 Uiso 1 1 calc R . .
C10 C 1.0744(6) 0.1474(7) 0.4030(6) 0.0321(14) Uani 1 1 d . . .
H10 H 1.0002 0.0859 0.3309 0.039 Uiso 1 1 calc R . .
C22 C 0.8018(6) 0.2480(6) 0.0138(6) 0.0302(13) Uani 1 1 d . . .
H22 H 0.8324 0.2240 0.0895 0.036 Uiso 1 1 calc R . .
C17 C 0.4557(5) 0.2729(6) 0.0353(5) 0.0235(12) Uani 1 1 d . . .
C25 C 0.3792(6) 0.2465(6) 0.1131(5) 0.0268(12) Uani 1 1 d . . .
H25 H 0.4109 0.1775 0.1454 0.032 Uiso 1 1 calc R . .
C14 C 0.5858(6) 0.1613(7) 0.5203(6) 0.0360(15) Uani 1 1 d . . .
H14A H 0.5957 0.0791 0.4803 0.054 Uiso 1 1 calc GR . .
H14B H 0.4918 0.1657 0.4871 0.054 Uiso 1 1 calc GR . .
H14C H 0.6154 0.1729 0.6065 0.054 Uiso 1 1 calc GR . .
C15 C 0.6577(7) 0.3996(6) 0.5623(6) 0.0365(15) Uani 1 1 d . . .
H15A H 0.6972 0.4165 0.6495 0.055 Uiso 1 1 calc GR . .
H15B H 0.5628 0.4014 0.5361 0.055 Uiso 1 1 calc GR . .
H15C H 0.7039 0.4639 0.5405 0.055 Uiso 1 1 calc GR . .
C21 C 0.6596(6) 0.2727(6) -0.0107(5) 0.0246(12) Uani 1 1 d . . .
C18 C 0.4000(6) 0.3210(6) -0.0610(5) 0.0325(14) Uani 1 1 d . . .
H18 H 0.3140 0.3385 -0.0778 0.039 Uiso 1 1 calc R . .
C26 C 0.4106(6) 0.3642(7) 0.2214(6) 0.0372(15) Uani 1 1 d . . .
H26A H 0.5072 0.3899 0.2689 0.056 Uiso 1 1 calc GR . .
H26B H 0.3650 0.3440 0.2715 0.056 Uiso 1 1 calc GR . .
H26C H 0.3793 0.4329 0.1921 0.056 Uiso 1 1 calc GR . .
C19 C 0.4682(6) 0.3440(6) -0.1332(5) 0.0332(14) Uani 1 1 d . . .
H19 H 0.4284 0.3762 -0.1978 0.040 Uiso 1 1 calc R . .
C20 C 0.5972(6) 0.3183(6) -0.1080(5) 0.0317(14) Uani 1 1 d . . .
H20 H 0.6425 0.3321 -0.1573 0.038 Uiso 1 1 calc R . .
C23 C 0.8000(7) 0.1357(7) -0.0894(6) 0.0401(16) Uani 1 1 d . . .
H23A H 0.7711 0.1570 -0.1648 0.060 Uiso 1 1 calc GR . .
H23B H 0.7380 0.0603 -0.0983 0.060 Uiso 1 1 calc GR . .
H23C H 0.8900 0.1199 -0.0698 0.060 Uiso 1 1 calc GR . .
C11 C 1.1282(8) 0.2523(8) 0.3621(7) 0.0493(19) Uani 1 1 d . . .
H11A H 1.0555 0.2910 0.3248 0.074 Uiso 1 1 calc GR . .
H11B H 1.1647 0.2172 0.3037 0.074 Uiso 1 1 calc GR . .
H11C H 1.1987 0.3161 0.4315 0.074 Uiso 1 1 calc GR . .
C27 C 0.2246(6) 0.2028(7) 0.0407(6) 0.0360(15) Uani 1 1 d . . .
H27A H 0.1897 0.2722 0.0155 0.054 Uiso 1 1 calc GR . .
H27B H 0.1827 0.1774 0.0914 0.054 Uiso 1 1 calc GR . .
H27C H 0.2047 0.1313 -0.0302 0.054 Uiso 1 1 calc GR . .
C12 C 1.1865(7) 0.0771(7) 0.4494(7) 0.0442(17) Uani 1 1 d . . .
H12A H 1.2631 0.1364 0.5172 0.066 Uiso 1 1 calc GR . .
H12B H 1.2143 0.0412 0.3848 0.066 Uiso 1 1 calc GR . .
H12C H 1.1525 0.0096 0.4755 0.066 Uiso 1 1 calc GR . .
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'
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'
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
_geom_angle_site_symmetry_1
P1 Hg1 P1 180.0 2_766
C1 P1 Hg1 104.31(19) .
C4 N1 C2 117.4(4) .
C1 N1 C4 124.1(4) .
C1 N1 C2 111.1(4) .
C1 N2 C3 111.7(5) .
C1 N2 C16 123.7(5) .
C16 N2 C3 120.1(4) .
C9 C4 N1 119.9(5) .
C5 C4 N1 118.2(4) .
C5 C4 C9 121.5(5) .
C4 C9 C13 122.8(5) .
C8 C9 C4 117.6(5) .
C8 C9 C13 119.6(5) .
N1 C1 P1 132.6(4) .
N1 C1 N2 106.5(5) .
N2 C1 P1 120.9(4) .
N1 C2 H2A 111.4 .
N1 C2 H2B 111.4 .
N1 C2 C3 101.7(4) .
H2A C2 H2B 109.3 .
C3 C2 H2A 111.4 .
C3 C2 H2B 111.4 .
C5 C6 H6 119.9 .
C7 C6 H6 119.9 .
C7 C6 C5 120.3(5) .
C9 C13 H13 107.6 .
C9 C13 C14 110.7(5) .
C9 C13 C15 112.4(5) .
C14 C13 H13 107.6 .
C14 C13 C15 110.6(5) .
C15 C13 H13 107.6 .
C4 C5 C10 119.3(5) .
C6 C5 C4 118.4(5) .
C6 C5 C10 122.3(5) .
N2 C3 C2 102.4(4) .
N2 C3 H3A 111.3 .
N2 C3 H3B 111.3 .
C2 C3 H3A 111.3 .
C2 C3 H3B 111.3 .
H3A C3 H3B 109.2 .
C9 C8 H8 119.4 .
C7 C8 C9 121.2(5) .
C7 C8 H8 119.4 .
C17 C16 N2 118.2(5) .
C21 C16 N2 120.4(5) .
C21 C16 C17 121.3(5) .
H24A C24 H24B 109.5 .
H24A C24 H24C 109.5 .
H24B C24 H24C 109.5 .
C22 C24 H24A 109.5 .
C22 C24 H24B 109.5 .
C22 C24 H24C 109.5 .
C6 C7 H7 119.5 .
C8 C7 C6 120.9(5) .
C8 C7 H7 119.5 .
C5 C10 H10 107.5 .
C11 C10 C5 112.4(5) .
C11 C10 H10 107.5 .
C11 C10 C12 109.1(5) .
C12 C10 C5 112.5(5) .
C12 C10 H10 107.5 .
C24 C22 H22 107.7 .
C24 C22 C21 111.3(5) .
C24 C22 C23 111.0(5) .
C21 C22 H22 107.7 .
C21 C22 C23 111.3(5) .
C23 C22 H22 107.7 .
C16 C17 C25 120.4(5) .
C18 C17 C16 118.0(5) .
C18 C17 C25 121.7(5) .
C17 C25 H25 107.8 .
C17 C25 C26 110.9(5) .
C17 C25 C27 113.0(5) .
C26 C25 H25 107.8 .
C26 C25 C27 109.2(5) .
C27 C25 H25 107.8 .
C13 C14 H14A 109.5 .
C13 C14 H14B 109.5 .
C13 C14 H14C 109.5 .
H14A C14 H14B 109.5 .
H14A C14 H14C 109.5 .
H14B C14 H14C 109.5 .
C13 C15 H15A 109.5 .
C13 C15 H15B 109.5 .
C13 C15 H15C 109.5 .
H15A C15 H15B 109.5 .
H15A C15 H15C 109.5 .
H15B C15 H15C 109.5 .
C16 C21 C22 122.7(5) .
C20 C21 C16 118.0(5) .
C20 C21 C22 119.2(5) .
C17 C18 H18 118.9 .
C17 C18 C19 122.1(5) .
C19 C18 H18 118.9 .
C25 C26 H26A 109.5 .
C25 C26 H26B 109.5 .
C25 C26 H26C 109.5 .
H26A C26 H26B 109.5 .
H26A C26 H26C 109.5 .
H26B C26 H26C 109.5 .
C18 C19 H19 120.5 .
C18 C19 C20 119.0(6) .
C20 C19 H19 120.5 .
C21 C20 C19 121.5(5) .
C21 C20 H20 119.3 .
C19 C20 H20 119.3 .
C22 C23 H23A 109.5 .
C22 C23 H23B 109.5 .
C22 C23 H23C 109.5 .
H23A C23 H23B 109.5 .
H23A C23 H23C 109.5 .
H23B C23 H23C 109.5 .
C10 C11 H11A 109.5 .
C10 C11 H11B 109.5 .
C10 C11 H11C 109.5 .
H11A C11 H11B 109.5 .
H11A C11 H11C 109.5 .
H11B C11 H11C 109.5 .
C25 C27 H27A 109.5 .
C25 C27 H27B 109.5 .
C25 C27 H27C 109.5 .
H27A C27 H27B 109.5 .
H27A C27 H27C 109.5 .
H27B C27 H27C 109.5 .
C10 C12 H12A 109.5 .
C10 C12 H12B 109.5 .
C10 C12 H12C 109.5 .
H12A C12 H12B 109.5 .
H12A C12 H12C 109.5 .
H12B C12 H12C 109.5 .
loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_site_symmetry_2
Hg1 P1 2.4070(14) 2_766
Hg1 P1 2.4070(14) .
P1 C1 1.754(6) .
N1 C4 1.429(7) .
N1 C1 1.380(7) .
N1 C2 1.476(7) .
N2 C1 1.384(7) .
N2 C3 1.452(8) .
N2 C16 1.441(7) .
C4 C9 1.410(7) .
C4 C5 1.406(7) .
C9 C13 1.520(7) .
C9 C8 1.387(8) .
C2 H2A 0.9700 .
C2 H2B 0.9700 .
C2 C3 1.518(8) .
C6 H6 0.9300 .
C6 C5 1.388(8) .
C6 C7 1.382(8) .
C13 H13 0.9800 .
C13 C14 1.524(8) .
C13 C15 1.538(8) .
C5 C10 1.547(8) .
C3 H3A 0.9700 .
C3 H3B 0.9700 .
C8 H8 0.9300 .
C8 C7 1.376(9) .
C16 C17 1.408(7) .
C16 C21 1.406(7) .
C24 H24A 0.9600 .
C24 H24B 0.9600 .
C24 H24C 0.9600 .
C24 C22 1.523(9) .
C7 H7 0.9300 .
C10 H10 0.9800 .
C10 C11 1.498(10) .
C10 C12 1.525(9) .
C22 H22 0.9800 .
C22 C21 1.524(8) .
C22 C23 1.537(9) .
C17 C25 1.518(7) .
C17 C18 1.381(8) .
C25 H25 0.9800 .
C25 C26 1.520(9) .
C25 C27 1.532(8) .
C14 H14A 0.9600 .
C14 H14B 0.9600 .
C14 H14C 0.9600 .
C15 H15A 0.9600 .
C15 H15B 0.9600 .
C15 H15C 0.9600 .
C21 C20 1.388(8) .
C18 H18 0.9300 .
C18 C19 1.382(8) .
C26 H26A 0.9600 .
C26 H26B 0.9600 .
C26 H26C 0.9600 .
C19 H19 0.9300 .
C19 C20 1.392(9) .
C20 H20 0.9300 .
C23 H23A 0.9600 .
C23 H23B 0.9600 .
C23 H23C 0.9600 .
C11 H11A 0.9600 .
C11 H11B 0.9600 .
C11 H11C 0.9600 .
C27 H27A 0.9600 .
C27 H27B 0.9600 .
C27 H27C 0.9600 .
C12 H12A 0.9600 .
C12 H12B 0.9600 .
C12 H12C 0.9600 .
