#------------------------------------------------------------------------------
#$Date: 2016-03-22 11:54:59 +0200 (Tue, 22 Mar 2016) $
#$Revision: 178923 $
#$URL: svn://www.crystallography.net/cod/cif/4/11/52/4115200.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_4115200
loop_
_publ_author_name
'Ken Sakai'
'Eri Ishigami'
'Yosuke Konno'
'Takashi Kajiwara'
'Tasuku Ito'
_publ_contact_author
;
    Dr Ken Sakai
    Department of Applied Chemistry
    Faculty of Science
    Science University of Tokyo
    Kagurazaka 1-3, Shinjuku-ku
    Tokyo 162-8601, Japan
;
_publ_contact_author_email       ksakai@ch.kagu.tus.ac.jp
_publ_contact_author_fax         '81 3 3260 4670'
_publ_contact_author_phone       '81 3 3260 4670'
_publ_section_title
;
 New Partially Oxidized 1-D Platinum Chain Complexes Consisting of
 Carboxylate-Bridged cis-Diammineplatinum Dimer Cations
;
_journal_name_full               'Journal of the American Chemical Society'
_journal_page_first              12088
_journal_page_last               12089
_journal_paper_doi               10.1021/ja0275461
_journal_volume                  124
_journal_year                    2002
_chemical_formula_moiety
'C6 H22 N4 O4 Pt2, 0.35(Cl O4), 1.81(N O3), 1.84(H2 O)'
_chemical_formula_sum            'C6 H25.68 Cl0.35 N5.81 O12.67 Pt2'
_chemical_formula_weight         784.65
_space_group_IT_number           2
_symmetry_cell_setting           triclinic
_symmetry_Int_Tables_number      2
_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
_atom_sites_solution_secondary   difmap
_audit_creation_date             02/05/08
_audit_creation_method           'SHELXL97-2 (Sheldrick, 1997)'
_audit_update_record
;
2001-06-27     text and data added by Ken Sakai
;
_cell_angle_alpha                101.489(2)
_cell_angle_beta                 103.882(2)
_cell_angle_gamma                99.534(2)
_cell_formula_units_Z            2
_cell_length_a                   9.4102(8)
_cell_length_b                   10.0776(8)
_cell_length_c                   11.4257(9)
_cell_measurement_reflns_used    2653
_cell_measurement_temperature    293(2)
_cell_measurement_theta_max      23.26
_cell_measurement_theta_min      2.29
_cell_volume                     1004.53(14)
_computing_cell_refinement       'SMART & SAINT (Bruker, 1998)'
_computing_data_collection       'SMART (Bruker, 1998)'
_computing_data_reduction        'SAINT (Bruker, 1998)'
_computing_molecular_graphics
;
SHELXTL (Bruker, 1998), TEXSAN (Molecular Structure Corporation, Rigaku 
Corporation, 1998) & KENX (Sakai, 2001)
;
_computing_publication_material  'SHELXL97-2 (Sheldrick, 1997)'
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 1997)'
_computing_structure_solution    'SHELXS97 (Sheldrick, 1997a)'
_diffrn_ambient_temperature      293(2)
_diffrn_detector_area_resol_mean 8.366
_diffrn_measured_fraction_theta_full 0.993
_diffrn_measured_fraction_theta_max 0.993
_diffrn_measurement_device_type  'CCD area detector'
_diffrn_measurement_method       'phi and omega scans'
_diffrn_radiation_monochromator  graphite
_diffrn_radiation_source         'sealed tube'
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_reflns_av_R_equivalents  0.0330
_diffrn_reflns_av_sigmaI/netI    0.0453
_diffrn_reflns_limit_h_max       10
_diffrn_reflns_limit_h_min       -10
_diffrn_reflns_limit_k_max       8
_diffrn_reflns_limit_k_min       -11
_diffrn_reflns_limit_l_max       12
_diffrn_reflns_limit_l_min       -12
_diffrn_reflns_number            5014
_diffrn_reflns_theta_full        23.28
_diffrn_reflns_theta_max         23.28
_diffrn_reflns_theta_min         1.90
_diffrn_standards_decay_%
;
103 reflections were remeasured after the data collection which showed no
decay in the period.
;
_exptl_absorpt_coefficient_mu    14.026
_exptl_absorpt_correction_T_max  0.239339
_exptl_absorpt_correction_T_min  0.11533
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   '(SADABS; Sheldrick, 1996)'
_exptl_crystal_colour            'dark brown'
_exptl_crystal_density_diffrn    2.594
_exptl_crystal_description       'plate needle'
_exptl_crystal_F_000             731
_exptl_crystal_size_max          0.17
_exptl_crystal_size_mid          0.15
_exptl_crystal_size_min          0.02
_refine_diff_density_max         3.142
_refine_diff_density_min         -2.720
_refine_diff_density_rms         0.366
_refine_ls_extinction_coef       0.0002(3)
_refine_ls_extinction_method     SHELXL
_refine_ls_goodness_of_fit_ref   1.049
_refine_ls_hydrogen_treatment    mixed
_refine_ls_matrix_type           full
_refine_ls_number_parameters     411
_refine_ls_number_reflns         2878
_refine_ls_number_restraints     258
_refine_ls_restrained_S_all      1.145
_refine_ls_R_factor_all          0.0610
_refine_ls_R_factor_gt           0.0519
_refine_ls_shift/su_max          0.000
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'calc w=1/[σ²(Fo²)+(0.1075P)²+0.0000P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1390
_refine_ls_wR_factor_ref         0.1455
_reflns_number_gt                2293
_reflns_number_total             2878
_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            ja0275461_s3_2.cif
_cod_data_source_block           complex4
_cod_original_sg_symbol_H-M      'P -1 '
_cod_database_code               4115200
loop_
_symmetry_equiv_pos_as_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_symmetry_multiplicity
_atom_site_calc_flag
_atom_site_refinement_flags
_atom_site_disorder_assembly
_atom_site_disorder_group
Pt1 Pt 0.04230(6) -0.00459(6) 0.13378(5) 0.0226(3) Uani 1 1 d U . .
Pt2 Pt 0.03845(6) -0.00027(6) 0.38021(4) 0.0210(3) Uani 1 1 d U . .
Cl1 Cl -0.4675(13) 0.1571(12) 0.0449(10) 0.028(3) Uiso 0.347(9) 1 d PD A 1
O1A O -0.099(2) -0.183(2) 0.1049(18) 0.022(5) Uani 0.50 1 d PU . 1
O1B O -0.172(2) -0.128(2) 0.0899(18) 0.023(5) Uani 0.50 1 d PU . 2
O2A O -0.096(3) -0.182(2) 0.3013(19) 0.027(5) Uani 0.50 1 d PU . 1
O2B O -0.181(2) -0.113(2) 0.2910(17) 0.019(4) Uani 0.50 1 d PU . 2
O3A O -0.131(2) 0.104(2) 0.1393(18) 0.020(4) Uani 0.50 1 d PU . 1
O3B O -0.022(3) 0.169(2) 0.1728(19) 0.027(5) Uani 0.50 1 d PU . 2
O4A O -0.135(2) 0.104(2) 0.3371(18) 0.021(5) Uani 0.50 1 d PU . 1
O4B O -0.011(2) 0.1756(19) 0.3747(17) 0.017(4) Uani 0.50 1 d PU . 2
O8 O -0.569(3) 0.193(2) 0.367(2) 0.029(3) Uiso 0.447(13) 1 d P A 1
O9 O -0.334(3) 0.175(2) 0.404(2) 0.029(3) Uiso 0.447(13) 1 d P A 1
O10 O -0.521(3) -0.017(3) 0.348(3) 0.029(3) Uiso 0.447(13) 1 d P A 1
O11 O -0.115(4) -0.628(3) 0.048(3) 0.036(7) Uiso 0.286(14) 1 d PD B 2
O12 O -0.114(4) -0.450(3) -0.023(3) 0.036(7) Uiso 0.286(14) 1 d PD B 2
O13 O -0.061(5) -0.430(3) 0.172(2) 0.036(7) Uiso 0.286(14) 1 d PD B 2
O14 O -0.659(3) -0.215(3) 0.291(2) 0.029(3) Uiso 0.360(10) 1 d PD A 2
O15 O -0.542(4) -0.001(3) 0.327(3) 0.029(3) Uiso 0.360(10) 1 d PD A 2
O16 O -0.416(3) -0.160(3) 0.348(2) 0.029(3) Uiso 0.360(10) 1 d PD A 2
O17 O 0.542(11) 0.746(6) 0.304(8) 0.100 Uiso 0.207(15) 1 d PD C 1
O18 O 0.452(11) 0.612(8) 0.404(7) 0.100 Uiso 0.207(15) 1 d PD C 1
O19 O 0.519(12) 0.526(7) 0.244(7) 0.100 Uiso 0.207(15) 1 d PD C 1
O20 O 0.367(4) 0.532(5) 0.410(4) 0.100 Uiso 0.360(10) 1 d PD A 2
O21 O 0.563(5) 0.490(5) 0.360(4) 0.100 Uiso 0.360(10) 1 d PD A 2
O22 O 0.585(5) 0.628(5) 0.535(4) 0.100 Uiso 0.360(10) 1 d PD . 2
O23 O -0.386(6) 0.163(7) -0.025(5) 0.028(3) Uiso 0.152(12) 1 d PD A 2
O24 O -0.606(5) 0.116(6) -0.001(5) 0.028(3) Uiso 0.152(12) 1 d PD A 2
O25 O -0.415(6) 0.097(7) 0.136(5) 0.028(3) Uiso 0.152(12) 1 d PD A 2
O26 O -0.329(2) 0.110(2) 0.046(2) 0.028(3) Uiso 0.347(9) 1 d PD . 1
O27 O -0.447(3) 0.284(2) 0.123(2) 0.028(3) Uiso 0.347(9) 1 d PD A 1
O28 O -0.568(3) 0.045(2) 0.069(2) 0.028(3) Uiso 0.347(9) 1 d PD . 1
O29 O -0.535(3) 0.158(3) -0.0863(18) 0.028(3) Uiso 0.347(9) 1 d PD A 1
O30 O -0.794(3) -0.338(3) 0.248(2) 0.060(7) Uani 0.50 1 d PU . .
O31 O 0.297(4) 0.353(3) 0.335(3) 0.069(8) Uani 0.50 1 d PU . .
O32 O -0.526(6) -0.008(5) 0.423(5) 0.029(3) Uiso 0.21(3) 1 d P . .
O33 O 0.099(3) 0.398(2) 0.311(2) 0.046(6) Uani 0.50 1 d PU . .
O38 O -0.529(10) -0.010(8) 0.180(8) 0.028(3) Uiso 0.13(2) 1 d P . .
N1A N 0.185(3) 0.192(3) 0.155(2) 0.024(6) Uani 0.50 1 d PU . 1
N1B N 0.255(3) 0.095(3) 0.161(3) 0.039(7) Uani 0.50 1 d PU . 2
N2A N 0.210(3) -0.099(2) 0.121(2) 0.022(6) Uani 0.50 1 d PU . 1
N2B N 0.105(3) -0.195(3) 0.076(3) 0.039(7) Uani 0.50 1 d PU . 2
N3A N 0.172(3) 0.204(3) 0.470(2) 0.023(6) Uani 0.50 1 d PU D 1
N3B N 0.251(3) 0.099(3) 0.475(2) 0.029(6) Uani 0.50 1 d PU E 2
N4A N 0.214(3) -0.088(2) 0.433(2) 0.021(5) Uani 0.50 1 d PU F 1
N4B N 0.084(3) -0.200(3) 0.387(2) 0.027(6) Uani 0.50 1 d PU G 2
N5 N -0.473(4) 0.113(3) 0.375(3) 0.029(3) Uiso 0.447(13) 1 d P A 1
N6 N -0.097(3) -0.503(3) 0.066(3) 0.036(7) Uiso 0.286(14) 1 d PD B 2
N7 N -0.539(3) -0.127(3) 0.323(2) 0.029(3) Uiso 0.360(10) 1 d PD A 2
N8 N 0.505(7) 0.627(6) 0.318(5) 0.100 Uiso 0.207(15) 1 d PD C 1
N9 N 0.502(4) 0.551(4) 0.434(3) 0.100 Uiso 0.360(10) 1 d PD A 2
N10 N -0.471(5) 0.127(5) 0.037(4) 0.028(3) Uiso 0.152(12) 1 d PD A 2
C1A C -0.140(4) -0.239(3) 0.183(3) 0.029(7) Uani 0.50 1 d PU H 1
C1B C -0.242(4) -0.151(3) 0.175(3) 0.026(7) Uani 0.50 1 d PU I 2
C2A C -0.256(4) -0.371(4) 0.144(3) 0.042(9) Uani 0.50 1 d PU H 1
C2B C -0.401(5) -0.239(4) 0.126(4) 0.057(11) Uani 0.50 1 d PU I 2
C3A C -0.272(4) -0.453(4) 0.009(3) 0.045(9) Uani 0.50 1 d PU H 1
C3B C -0.430(8) -0.357(7) 0.195(6) 0.038(15) Uani 0.25 1 d PU I 2
C3C C -0.460(9) -0.338(8) 0.024(7) 0.043(16) Uani 0.25 1 d PU I 2
C4A C -0.179(4) 0.140(4) 0.235(3) 0.037(8) Uani 0.50 1 d PU A 1
C4B C -0.028(3) 0.230(3) 0.282(2) 0.019(6) Uani 0.50 1 d PU J 2
C5A C -0.315(4) 0.199(3) 0.217(3) 0.032(8) Uani 0.50 1 d PU A 1
C5B C -0.066(4) 0.368(4) 0.290(3) 0.039(8) Uani 0.50 1 d PU J 2
C6A C -0.316(5) 0.312(4) 0.321(3) 0.051(10) Uani 0.50 1 d PU A 1
C6B C -0.018(4) 0.462(4) 0.417(3) 0.040(8) Uani 0.50 1 d PU . 2
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'
Cl Cl 0.1484 0.1585 '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_3
Pt2 Pt1 Pt1 163.52(4) 2
Pt1 Pt2 Pt2 167.29(4) 2_556
O1A Pt1 N2A 91.6(9) .
O3B Pt1 N1B 92.4(10) .
O3B Pt1 O1B 94.0(9) .
N1B Pt1 O1B 172.8(9) .
O1A Pt1 O3A 91.0(8) .
N2A Pt1 O3A 176.3(7) .
O3B Pt1 N2B 175.4(9) .
N1B Pt1 N2B 88.5(12) .
O1B Pt1 N2B 84.9(10) .
O1A Pt1 N1A 176.0(8) .
N2A Pt1 N1A 90.9(10) .
O3A Pt1 N1A 86.3(8) .
O3B Pt1 Pt2 81.6(6) .
O1A Pt1 Pt2 80.2(6) .
N2A Pt1 Pt2 100.7(7) .
N1B Pt1 Pt2 100.9(8) .
O1B Pt1 Pt2 83.4(5) .
O3A Pt1 Pt2 82.3(5) .
N2B Pt1 Pt2 102.6(7) .
N1A Pt1 Pt2 102.3(6) .
O4B Pt2 N3B 89.4(9) .
O2A Pt2 N4A 91.4(9) .
O4B Pt2 O2B 94.0(8) .
N3B Pt2 O2B 175.6(8) .
O2A Pt2 O4A 92.7(8) .
N4A Pt2 O4A 175.5(8) .
O4B Pt2 N4B 177.3(9) .
N3B Pt2 N4B 92.7(10) .
O2B Pt2 N4B 83.8(9) .
O2A Pt2 N3A 175.9(9) .
N4A Pt2 N3A 92.1(10) .
O4A Pt2 N3A 83.7(9) .
O4B Pt2 Pt1 82.0(5) .
O2A Pt2 Pt1 82.7(6) .
N3B Pt2 Pt1 101.1(7) .
N4A Pt2 Pt1 99.8(6) .
O2B Pt2 Pt1 82.1(5) .
O4A Pt2 Pt1 82.7(5) .
N4B Pt2 Pt1 99.1(7) .
N3A Pt2 Pt1 98.8(6) .
C1A O1A Pt1 129(2) .
C1B O1B Pt1 123.4(19) .
C1A O2A Pt2 125.2(19) .
C1B O2B Pt2 126.3(19) .
C4A O3A Pt1 125.8(19) .
C4B O3B Pt1 125.0(18) .
C4A O4A Pt2 126(2) .
C4B O4B Pt2 127.0(18) .
O1A C1A O2A 123(3) .
O1A C1A C2A 122(3) .
O2A C1A C2A 115(3) .
O2B C1B O1B 124(3) .
O2B C1B C2B 119(3) .
O1B C1B C2B 116(3) .
C1A C2A C3A 112(3) .
C3C C2B C1B 128(5) .
C1B C2B C3B 113(4) .
O3A C4A O4A 123(3) .
O3A C4A C5A 118(3) .
O4A C4A C5A 117(3) .
O4B C4B O3B 124(2) .
O4B C4B C5B 122(3) .
O3B C4B C5B 115(2) .
C4A C5A C6A 116(3) .
C4B C5B C6B 115(3) .
C5A C6A O9 85(2) .
O27 Cl1 O26 114.0(14) .
O27 Cl1 O28 114.3(13) .
O26 Cl1 O28 105.6(12) .
O27 Cl1 O29 111.1(13) .
O26 Cl1 O29 105.7(12) .
O28 Cl1 O29 105.4(12) .
O10 N5 O9 125(3) .
O10 N5 O8 119(3) .
O9 N5 O8 115(3) .
O13 N6 O11 120(2) .
O13 N6 O12 121(2) .
O11 N6 O12 119(2) .
O14 N7 O16 121(2) .
O14 N7 O15 119(2) .
O16 N7 O15 119(2) .
O19 N8 O18 121(3) .
O19 N8 O17 120(3) .
O18 N8 O17 119(3) .
O20 N9 O22 121(3) .
O20 N9 O21 121(3) .
O22 N9 O21 118(2) .
O24 N10 O23 121(3) .
O24 N10 O25 120(3) .
O23 N10 O25 118(3) .
loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_site_symmetry_2
Pt1 Pt2 2.8163(7) .
Pt1 Pt1 2.9929(10) 2
Pt2 Pt2 2.9938(10) 2_556
O1A N1A 2.87(3) 2
O1B N1B 2.89(3) 2
O2A N3A 2.91(3) 2_556
O2B N3B 2.89(3) 2_556
O3A N2A 2.88(3) 2
O3B N2B 2.84(3) 2
O4A N4A 2.92(3) 2_556
O4B N4B 2.93(3) 2_556
Pt1 O1A 1.97(2) .
Pt1 O1B 2.08(2) .
Pt1 O3A 2.110(19) .
Pt1 O3B 1.95(2) .
Pt1 N1A 2.13(2) .
Pt1 N1B 2.00(3) .
Pt1 N2A 1.99(2) .
Pt1 N2B 2.13(3) .
Pt2 O2A 1.95(2) .
Pt2 O2B 2.08(2) .
Pt2 O4A 2.09(2) .
Pt2 O4B 1.915(18) .
Pt2 N3A 2.14(3) .
Pt2 N3B 2.01(3) .
Pt2 N4A 2.02(2) .
Pt2 N4B 2.14(2) .
O1A C1A 1.24(3) .
O1B C1B 1.33(3) .
O2A C1A 1.30(4) .
O2B C1B 1.26(3) .
O3A C4A 1.29(4) .
O3B C4B 1.30(3) .
O4A C4A 1.29(4) .
O4B C4B 1.28(3) .
C1A C2A 1.48(5) .
C1B C2B 1.52(5) .
C2A C3A 1.56(5) .
C2B C3C 1.30(8) .
C2B C3B 1.57(7) .
C3B C3C 1.95(10) .
C4A C5A 1.48(5) .
C4B C5B 1.48(4) .
C5A C6A 1.48(5) .
C5B C6B 1.48(5) .
Cl1 O27 1.36(2) .
Cl1 O26 1.46(2) .
Cl1 O28 1.46(2) .
Cl1 O29 1.48(2) .
O8 N5 1.31(4) .
O9 N5 1.28(4) .
O10 N5 1.26(4) .
O11 N6 1.22(3) .
O12 N6 1.23(3) .
O13 N6 1.22(3) .
O14 N7 1.24(3) .
O15 N7 1.26(3) .
O16 N7 1.25(3) .
O17 N8 1.24(3) .
O18 N8 1.23(3) .
O19 N8 1.23(3) .
O20 N9 1.21(3) .
O21 N9 1.25(3) .
O22 N9 1.25(3) .
O23 N10 1.24(3) .
O24 N10 1.22(3) .
O25 N10 1.25(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
O3B Pt1 Pt2 O4B -3.7(9)
N1B Pt1 Pt2 O4B 87.2(10)
O1B Pt1 Pt2 O4B -98.7(8)
N2B Pt1 Pt2 O4B 178.1(10)
O1A Pt1 Pt2 O2A 2.1(8)
N2A Pt1 Pt2 O2A -87.8(10)
O3A Pt1 Pt2 O2A 94.4(8)
N1A Pt1 Pt2 O2A 178.9(9)
O3B Pt1 Pt2 N3B -91.5(10)
N1B Pt1 Pt2 N3B -0.7(10)
O1B Pt1 Pt2 N3B 173.5(9)
N2B Pt1 Pt2 N3B 90.2(12)
O1A Pt1 Pt2 N4A 92.3(9)
N2A Pt1 Pt2 N4A 2.4(10)
O3A Pt1 Pt2 N4A -175.4(9)
N1A Pt1 Pt2 N4A -90.9(10)
O3B Pt1 Pt2 O2B 91.5(9)
N1B Pt1 Pt2 O2B -177.6(9)
O1B Pt1 Pt2 O2B -3.5(7)
N2B Pt1 Pt2 O2B -86.7(10)
O1A Pt1 Pt2 O4A -91.6(8)
N2A Pt1 Pt2 O4A 178.6(9)
O3A Pt1 Pt2 O4A 0.7(7)
N1A Pt1 Pt2 O4A 85.2(9)
O3B Pt1 Pt2 N4B 173.8(10)
N1B Pt1 Pt2 N4B -95.3(11)
O1B Pt1 Pt2 N4B 78.8(9)
N2B Pt1 Pt2 N4B -4.4(11)
O1A Pt1 Pt2 N3A -174.1(9)
N2A Pt1 Pt2 N3A 96.1(10)
O3A Pt1 Pt2 N3A -81.7(9)
N1A Pt1 Pt2 N3A 2.8(9)
