#------------------------------------------------------------------------------
#$Date: 2016-02-16 22:30:59 +0200 (Tue, 16 Feb 2016) $
#$Revision: 176467 $
#$URL: svn://www.crystallography.net/cod/cif/4/08/38/4083807.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_4083807
loop_
_publ_author_name
'Zhang, Fenbao'
'Prokopchuk, Ernest M.'
'Broczkowski, Michael E.'
'Jennings, Michael C.'
'Puddephatt, Richard J.'
_publ_section_title
;
 Hydridodimethylplatinum(IV) Complexes with Bis(pyridine) Ligands: 
 Effect of Chelate Ring Size on Reactivity
;
_journal_issue                   7
_journal_name_full               Organometallics
_journal_page_first              1583
_journal_paper_doi               10.1021/om050982m
_journal_volume                  25
_journal_year                    2006
_chemical_formula_sum            'C26 H22 F6 N4 O10.5 Pt2 S2'
_chemical_formula_weight         1126.78
_chemical_name_systematic
; 
 ? 
;
_space_group_IT_number           62
_symmetry_cell_setting           orthorhombic
_symmetry_space_group_name_Hall  '-P 2ac 2n'
_symmetry_space_group_name_H-M   'P n m a'
_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                 90.00
_cell_angle_gamma                90.00
_cell_formula_units_Z            8
_cell_length_a                   22.1033(4)
_cell_length_b                   21.9063(3)
_cell_length_c                   12.9826(2)
_cell_measurement_temperature    150(2)
_cell_volume                     6286.19(17)
_computing_cell_refinement       'Nonius DENZO'
_computing_data_collection       'Nonius COLLECT'
_computing_data_reduction        'Nonius DENZO'
_computing_molecular_graphics    'Bruker SHELXTL'
_computing_publication_material  'Bruker SHELXTL'
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 1997)'
_computing_structure_solution    'SHELXS-97 (Sheldrick, 1990)'
_diffrn_ambient_temperature      150(2)
_diffrn_measured_fraction_theta_full 0.999
_diffrn_measured_fraction_theta_max 0.999
_diffrn_measurement_device_type  'Nonius Kappa-CCD'
_diffrn_measurement_method       'phi/omega 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  0.154
_diffrn_reflns_av_sigmaI/netI    0.0636
_diffrn_reflns_limit_h_max       26
_diffrn_reflns_limit_h_min       -26
_diffrn_reflns_limit_k_max       26
_diffrn_reflns_limit_k_min       -26
_diffrn_reflns_limit_l_max       15
_diffrn_reflns_limit_l_min       -15
_diffrn_reflns_number            63983
_diffrn_reflns_theta_full        25.00
_diffrn_reflns_theta_max         25.03
_diffrn_reflns_theta_min         2.59
_exptl_absorpt_coefficient_mu    9.125
_exptl_absorpt_correction_T_max  0.2626
_exptl_absorpt_correction_T_min  0.0363
_exptl_absorpt_correction_type   integration
_exptl_crystal_colour            red-orange
_exptl_crystal_density_diffrn    2.381
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       petal
_exptl_crystal_F_000             4256
_exptl_crystal_size_max          1.08
_exptl_crystal_size_mid          0.28
_exptl_crystal_size_min          0.20
_refine_diff_density_max         2.769
_refine_diff_density_min         -4.374
_refine_diff_density_rms         0.334
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.000
_refine_ls_hydrogen_treatment    mixed
_refine_ls_matrix_type           full
_refine_ls_number_parameters     481
_refine_ls_number_reflns         5715
_refine_ls_number_restraints     4
_refine_ls_restrained_S_all      0.999
_refine_ls_R_factor_all          0.0776
_refine_ls_R_factor_gt           0.0485
_refine_ls_shift/su_max          0.002
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'calc w=1/[σ²(Fo²)+(0.0786P)²+0.0000P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1147
_refine_ls_wR_factor_ref         0.1265
_reflns_number_gt                4034
_reflns_number_total             5715
_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            om050982msi20051115_114331.cif
_cod_data_source_block           complex_11
_cod_depositor_comments
;
The following automatic conversions were performed:

'_symmetry_cell_setting' value 'Orthorhombic' changed to
'orthorhombic' according to
/usr/data/users/saulius/automatic-downloads/retrospective/ACS/lib/dictionaries/cif_core.dic
dictionary named 'cif_core.dic' version 2.4.2 from 2011-04-26.

Automatic conversion script
Id: cif_fix_values 2281 2013-09-26 08:29:07Z andrius 
;
_cod_original_sg_symbol_H-M      Pnma
_cod_original_formula_sum        'C26 H22 F6 N4 O10.50 Pt2 S2'
_cod_database_code               4083807
loop_
_symmetry_equiv_pos_as_xyz
'x, y, z'
'-x+1/2, -y, z+1/2'
'-x, y+1/2, -z'
'x+1/2, -y+1/2, -z+1/2'
'-x, -y, -z'
'x-1/2, y, -z-1/2'
'x, -y-1/2, z'
'-x-1/2, 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
Pt1 Pt 0.21731(2) 0.2500 0.36041(4) 0.01861(17) Uani 1 2 d S
Pt2 Pt 0.18825(3) 0.2500 0.13050(4) 0.01924(17) Uani 1 2 d S
Pt3 Pt 0.05660(3) 0.2500 0.40938(4) 0.01807(16) Uani 1 2 d S
Pt4 Pt 0.02535(3) 0.2500 0.17772(4) 0.01927(17) Uani 1 2 d S
O12 O 0.1861(3) 0.1914(3) 0.2520(5) 0.0281(18) Uani 1 1 d D
H12 H 0.204(3) 0.157(2) 0.252(8) 0.042 Uiso 1 1 d D
O34 O 0.0398(3) 0.1902(3) 0.2938(5) 0.0268(18) Uani 1 1 d D
H34 H 0.069(2) 0.1644(18) 0.286(8) 0.040 Uiso 1 1 d D
N11 N 0.2448(4) 0.1852(4) 0.4555(6) 0.0220(19) Uani 1 1 d .
C12 C 0.2162(5) 0.1317(4) 0.4599(8) 0.030(3) Uani 1 1 d .
H12A H 0.1805 0.1275 0.4198 0.036 Uiso 1 1 calc R
C13 C 0.2337(5) 0.0825(5) 0.5167(8) 0.032(3) Uani 1 1 d .
H13A H 0.2111 0.0457 0.5165 0.039 Uiso 1 1 calc R
C14 C 0.2846(6) 0.0883(5) 0.5736(9) 0.041(3) Uani 1 1 d .
H14A H 0.2980 0.0551 0.6148 0.049 Uiso 1 1 calc R
C15 C 0.3176(5) 0.1425(5) 0.5723(9) 0.041(3) Uani 1 1 d .
H15A H 0.3542 0.1467 0.6100 0.049 Uiso 1 1 calc R
C16 C 0.2946(5) 0.1900(5) 0.5134(9) 0.030(3) Uani 1 1 d .
C17 C 0.3276(8) 0.2500 0.5166(13) 0.039(4) Uani 1 2 d S
O18 O 0.3834(6) 0.2500 0.5369(12) 0.063(4) Uani 1 2 d S
N21 N 0.1893(4) 0.1840(3) 0.0232(7) 0.023(2) Uani 1 1 d .
C22 C 0.1661(4) 0.1295(4) 0.0468(8) 0.024(2) Uani 1 1 d .
H22A H 0.1465 0.1248 0.1115 0.029 Uiso 1 1 calc R
C23 C 0.1690(5) 0.0804(4) -0.0172(9) 0.029(3) Uani 1 1 d .
H23A H 0.1506 0.0427 0.0010 0.034 Uiso 1 1 calc R
C24 C 0.1993(5) 0.0869(5) -0.1084(9) 0.035(3) Uani 1 1 d .
H24A H 0.2021 0.0534 -0.1547 0.042 Uiso 1 1 calc R
C25 C 0.2253(5) 0.1410(4) -0.1329(8) 0.027(3) Uani 1 1 d .
H25A H 0.2475 0.1449 -0.1952 0.033 Uiso 1 1 calc R
C26 C 0.2197(4) 0.1903(5) -0.0681(8) 0.023(2) Uani 1 1 d .
C27 C 0.2441(6) 0.2500 -0.1037(12) 0.023(3) Uani 1 2 d S
O28 O 0.2809(5) 0.2500 -0.1697(9) 0.039(3) Uani 1 2 d S
N31 N 0.0689(4) 0.1843(3) 0.5142(6) 0.0217(19) Uani 1 1 d .
C32 C 0.0403(5) 0.1295(4) 0.4988(9) 0.025(2) Uani 1 1 d .
H32A H 0.0147 0.1248 0.4406 0.030 Uiso 1 1 calc R
C33 C 0.0476(5) 0.0819(5) 0.5642(9) 0.033(3) Uani 1 1 d .
H33A H 0.0274 0.0444 0.5508 0.039 Uiso 1 1 calc R
C34 C 0.0836(6) 0.0870(4) 0.6487(9) 0.032(3) Uani 1 1 d .
H34A H 0.0890 0.0538 0.6947 0.039 Uiso 1 1 calc R
C35 C 0.1118(5) 0.1421(5) 0.6649(8) 0.031(3) Uani 1 1 d .
H35A H 0.1377 0.1475 0.7226 0.037 Uiso 1 1 calc R
C36 C 0.1022(5) 0.1894(4) 0.5971(8) 0.022(2) Uani 1 1 d .
C37 C 0.1329(6) 0.2500 0.6191(11) 0.023(4) Uani 1 2 d S
O38 O 0.1814(5) 0.2500 0.6683(8) 0.034(3) Uani 1 2 d S
N41 N 0.0079(4) 0.1858(3) 0.0747(6) 0.022(2) Uani 1 1 d .
C42 C -0.0194(5) 0.1345(4) 0.1018(9) 0.032(3) Uani 1 1 d .
H42A H -0.0338 0.1305 0.1704 0.039 Uiso 1 1 calc R
C43 C -0.0276(6) 0.0867(5) 0.0348(10) 0.040(3) Uani 1 1 d .
H43A H -0.0483 0.0511 0.0569 0.048 Uiso 1 1 calc R
C44 C -0.0059(5) 0.0906(5) -0.0642(10) 0.043(3) Uani 1 1 d .
H44A H -0.0102 0.0576 -0.1112 0.051 Uiso 1 1 calc R
C45 C 0.0225(5) 0.1443(5) -0.0930(9) 0.034(3) Uani 1 1 d .
H45A H 0.0371 0.1487 -0.1615 0.041 Uiso 1 1 calc R
C46 C 0.0298(5) 0.1906(4) -0.0251(8) 0.022(2) Uani 1 1 d .
C47 C 0.0563(8) 0.2500 -0.0613(12) 0.029(4) Uani 1 2 d S
O48 O 0.0917(6) 0.2500 -0.1274(9) 0.045(3) Uani 1 2 d S
O201 O 0.0972(4) 0.0092(4) 0.1523(6) 0.050(2) Uani 1 1 d .
O202 O 0.0201(4) 0.0146(4) 0.2855(7) 0.058(3) Uani 1 1 d .
O203 O 0.1043(3) 0.0859(3) 0.2859(6) 0.039(2) Uani 1 1 d D
S204 S 0.08124(14) 0.02703(12) 0.2552(2) 0.0328(7) Uani 1 1 d .
C205 C 0.1263(6) -0.0250(5) 0.3307(11) 0.045(3) Uani 1 1 d .
F206 F 0.1141(5) -0.0162(4) 0.4319(7) 0.090(3) Uani 1 1 d .
F207 F 0.1838(4) -0.0162(4) 0.3196(7) 0.073(2) Uani 1 1 d .
F208 F 0.1145(4) -0.0814(3) 0.3112(8) 0.089(3) Uani 1 1 d .
O301 O -0.0142(6) 0.2500 0.7117(10) 0.057(4) Uani 1 2 d S
C302 C -0.0518(6) 0.2005(6) 0.6906(11) 0.055(4) Uani 1 1 d .
H30A H -0.0799 0.1935 0.7488 0.067 Uiso 1 1 calc R
H30B H -0.0273 0.1631 0.6806 0.067 Uiso 1 1 calc R
C303 C -0.0867(6) 0.2146(5) 0.5946(11) 0.057(4) Uani 1 1 d .
H30C H -0.1283 0.1981 0.5982 0.068 Uiso 1 1 calc R
H30D H -0.0663 0.1981 0.5327 0.068 Uiso 1 1 calc R
O101 O 0.3518(6) 0.0696(10) 0.3184(9) 0.172(9) Uani 1 1 d .
O102 O 0.3159(6) 0.0137(4) 0.1784(10) 0.104(5) Uani 1 1 d .
O103 O 0.2584(4) 0.0963(4) 0.2377(9) 0.080(4) Uani 1 1 d D
S104 S 0.31639(14) 0.07065(14) 0.2307(3) 0.0387(8) Uani 1 1 d .
C105 C 0.3572(7) 0.1210(8) 0.1490(13) 0.067(5) Uani 1 1 d .
F106 F 0.3604(7) 0.1750(5) 0.1852(14) 0.192(8) Uani 1 1 d .
F107 F 0.4096(4) 0.1050(6) 0.1278(9) 0.125(5) Uani 1 1 d .
F108 F 0.3290(4) 0.1244(5) 0.0582(8) 0.107(4) Uani 1 1 d .
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'
F F 0.0171 0.0103 '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'
Pt Pt -1.7033 8.3905 '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
N11 Pt1 N11 91.8(5) 7_565 .
N11 Pt1 O12 173.4(3) 7_565 .
N11 Pt1 O12 94.8(3) . .
N11 Pt1 O12 94.8(3) 7_565 7_565
N11 Pt1 O12 173.4(3) . 7_565
O12 Pt1 O12 78.6(4) . 7_565
N11 Pt1 Pt2 132.4(2) 7_565 .
N11 Pt1 Pt2 132.4(2) . .
O12 Pt1 Pt2 41.32(19) . .
O12 Pt1 Pt2 41.32(19) 7_565 .
N21 Pt2 N21 92.1(5) 7_565 .
N21 Pt2 O12 94.8(3) 7_565 7_565
N21 Pt2 O12 173.0(3) . 7_565
N21 Pt2 O12 173.0(3) 7_565 .
N21 Pt2 O12 94.8(3) . .
O12 Pt2 O12 78.2(4) 7_565 .
N21 Pt2 Pt1 132.5(2) 7_565 .
N21 Pt2 Pt1 132.5(2) . .
O12 Pt2 Pt1 41.12(19) 7_565 .
O12 Pt2 Pt1 41.12(19) . .
N31 Pt3 N31 92.1(5) 7_565 .
N31 Pt3 O34 93.7(3) 7_565 7_565
N31 Pt3 O34 173.9(3) . 7_565
N31 Pt3 O34 173.9(3) 7_565 .
N31 Pt3 O34 93.7(3) . .
O34 Pt3 O34 80.5(4) 7_565 .
N31 Pt3 Pt4 134.0(2) 7_565 .
N31 Pt3 Pt4 133.9(2) . .
O34 Pt3 Pt4 40.3(2) 7_565 .
O34 Pt3 Pt4 40.3(2) . .
N41 Pt4 N41 90.6(5) 7_565 .
N41 Pt4 O34 94.3(3) 7_565 7_565
N41 Pt4 O34 174.2(3) . 7_565
N41 Pt4 O34 174.2(3) 7_565 .
N41 Pt4 O34 94.3(3) . .
O34 Pt4 O34 80.7(4) 7_565 .
N41 Pt4 Pt3 134.6(2) 7_565 .
N41 Pt4 Pt3 134.6(2) . .
O34 Pt4 Pt3 40.37(18) 7_565 .
O34 Pt4 Pt3 40.37(18) . .
Pt1 O12 Pt2 97.6(3) . .
Pt4 O34 Pt3 99.4(3) . .
C12 N11 C16 115.9(9) . .
C12 N11 Pt1 120.8(7) . .
C16 N11 Pt1 123.2(7) . .
N11 C12 C13 125.7(11) . .
C14 C13 C12 117.3(11) . .
C13 C14 C15 120.5(11) . .
C16 C15 C14 117.0(11) . .
N11 C16 C15 123.5(10) . .
N11 C16 C17 118.9(10) . .
C15 C16 C17 117.6(11) . .
O18 C17 C16 118.7(7) . 7_565
O18 C17 C16 118.7(7) . .
C16 C17 C16 121.9(14) 7_565 .
C22 N21 C26 118.5(9) . .
C22 N21 Pt2 118.7(7) . .
C26 N21 Pt2 122.3(7) . .
N21 C22 C23 123.3(10) . .
C22 C23 C24 118.1(10) . .
C25 C24 C23 120.1(10) . .
C24 C25 C26 120.4(10) . .
N21 C26 C25 119.6(9) . .
N21 C26 C27 122.3(10) . .
C25 C26 C27 117.9(10) . .
O28 C27 C26 118.3(6) . 7_565
O28 C27 C26 118.3(6) . .
C26 C27 C26 123.1(13) 7_565 .
C36 N31 C32 117.0(9) . .
C36 N31 Pt3 125.1(7) . .
C32 N31 Pt3 117.9(7) . .
C33 C32 N31 121.9(10) . .
C32 C33 C34 120.7(11) . .
C33 C34 C35 117.5(10) . .
C34 C35 C36 119.6(11) . .
N31 C36 C35 123.2(10) . .
N31 C36 C37 118.7(9) . .
C35 C36 C37 118.0(10) . .
O38 C37 C36 118.7(6) . 7_565
O38 C37 C36 118.7(6) . .
C36 C37 C36 122.0(12) 7_565 .
C42 N41 C46 118.2(9) . .
C42 N41 Pt4 120.8(7) . .
C46 N41 Pt4 120.6(6) . .
N41 C42 C43 122.6(11) . .
C42 C43 C44 120.0(11) . .
C43 C44 C45 117.5(11) . .
C46 C45 C44 121.0(11) . .
C45 C46 N41 120.6(10) . .
C45 C46 C47 119.4(11) . .
N41 C46 C47 119.6(9) . .
O48 C47 C46 119.6(7) . 7_565
O48 C47 C46 119.6(7) . .
C46 C47 C46 120.1(14) 7_565 .
O202 S204 O201 115.8(6) . .
O202 S204 O203 115.2(5) . .
O201 S204 O203 114.4(5) . .
O202 S204 C205 104.6(6) . .
O201 S204 C205 101.4(6) . .
O203 S204 C205 102.7(6) . .
F208 C205 F207 108.6(11) . .
F208 C205 F206 106.6(11) . .
F207 C205 F206 106.5(12) . .
F208 C205 S204 112.7(10) . .
F207 C205 S204 112.9(9) . .
F206 C205 S204 109.1(9) . .
C302 O301 C302 102.3(14) 7_565 .
O301 C302 C303 108.0(12) . .
C302 C303 C303 101.9(7) . 7_565
O101 S104 O103 118.1(9) . .
O101 S104 O102 112.5(11) . .
O103 S104 O102 112.0(8) . .
O101 S104 C105 102.4(8) . .
O103 S104 C105 104.7(7) . .
O102 S104 C105 105.3(8) . .
F107 C105 F106 107.0(16) . .
F107 C105 F108 104.8(14) . .
F106 C105 F108 107.5(15) . .
F107 C105 S104 115.5(11) . .
F106 C105 S104 112.6(14) . .
F108 C105 S104 108.9(11) . .
loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_site_symmetry_2
Pt1 N11 1.978(8) 7_565
Pt1 N11 1.978(8) .
Pt1 O12 2.025(7) .
Pt1 O12 2.025(7) 7_565
Pt1 Pt2 3.0531(8) .
Pt2 N21 2.007(8) 7_565
Pt2 N21 2.007(8) .
Pt2 O12 2.033(7) 7_565
Pt2 O12 2.033(7) .
Pt3 N31 1.999(8) 7_565
Pt3 N31 1.999(8) .
Pt3 O34 2.026(6) 7_565
Pt3 O34 2.026(6) .
Pt3 Pt4 3.0858(8) .
Pt4 N41 1.979(8) 7_565
Pt4 N41 1.979(8) .
Pt4 O34 2.022(7) 7_565
Pt4 O34 2.022(7) .
N11 C12 1.332(12) .
N11 C16 1.336(13) .
C12 C13 1.362(14) .
C13 C14 1.352(16) .
C14 C15 1.393(16) .
C15 C16 1.388(15) .
C16 C17 1.504(13) .
C17 O18 1.263(19) .
C17 C16 1.504(13) 7_565
N21 C22 1.336(12) .
N21 C26 1.369(13) .
C22 C23 1.360(13) .
C23 C24 1.368(16) .
C24 C25 1.355(15) .
C25 C26 1.375(13) .
C26 C27 1.487(12) .
C27 O28 1.183(17) .
C27 C26 1.487(12) 7_565
N31 C36 1.309(13) .
N31 C32 1.371(12) .
C32 C33 1.355(14) .
C33 C34 1.359(16) .
C34 C35 1.375(16) .
C35 C36 1.376(14) .
C36 C37 1.517(12) .
C37 O38 1.246(16) .
C37 C36 1.517(12) 7_565
N41 C42 1.324(13) .
N41 C46 1.386(13) .
C42 C43 1.372(14) .
C43 C44 1.375(16) .
C44 C45 1.386(16) .
C45 C46 1.354(13) .
C46 C47 1.501(13) .
C47 O48 1.162(19) .
C47 C46 1.501(13) 7_565
O201 S204 1.436(8) .
O202 S204 1.433(9) .
O203 S204 1.443(7) .
S204 C205 1.803(13) .
C205 F208 1.289(14) .
C205 F207 1.293(14) .
C205 F206 1.355(15) .
O301 C302 1.394(14) 7_565
O301 C302 1.394(14) .
C302 C303 1.498(18) .
C303 C303 1.55(2) 7_565
O101 S104 1.382(11) .
O102 S104 1.420(10) .
O103 S104 1.402(9) .
S104 C105 1.777(14) .
C105 F107 1.242(18) .
C105 F106 1.27(2) .
C105 F108 1.335(18) .
loop_
_geom_hbond_atom_site_label_D
_geom_hbond_atom_site_label_H
_geom_hbond_atom_site_label_A
_geom_hbond_distance_DH
_geom_hbond_distance_HA
_geom_hbond_distance_DA
_geom_hbond_angle_DHA
O12 H12 O103 0.848(18) 1.808(18) 2.633(10) 164(8)
O34 H34 O203 0.866(19) 1.887(19) 2.695(10) 155(6)
