#------------------------------------------------------------------------------
#$Date: 2016-02-14 16:26:36 +0200 (Sun, 14 Feb 2016) $
#$Revision: 176435 $
#$URL: svn://www.crystallography.net/cod/cif/2/00/15/2001518.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_2001518
loop_
_publ_author_name
'Suzuki, Y.'
'Miyamoto, T. K.'
'Ichida, H.'
_publ_contact_author
;
    Dr. Miyamoto, T. Ken
    Department of Chemistry
    Faculty of Science
    The University of Tokyo
    Tokyo  113
    Japan
;
_publ_section_title
;
 (Oxalato-O,O')bis(trimethylphosphine)platinum(II)
;
_journal_issue                   7
_journal_name_full               'Acta Crystallographica Section C'
_journal_page_first              1317
_journal_page_last               1318
_journal_paper_doi               10.1107/S0108270192013490
_journal_volume                  49
_journal_year                    1993
_chemical_formula_structural     '(Pt (C2 O4) (P (C H3)3)2)'
_chemical_formula_sum            'C8 H18 O4 P2 Pt'
_chemical_formula_weight         435.27
_space_group_IT_number           61
_symmetry_cell_setting           orthorhombic
_symmetry_space_group_name_Hall  '-P 2ac 2ab'
_symmetry_space_group_name_H-M   'P b c a'
_atom_type_scat_source
;
    International Tables for X-ray Crystallography (1974, Vol. IV)
;
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_formula_units_Z            8
_cell_length_a                   16.662(2)
_cell_length_b                   12.990(2)
_cell_length_c                   12.226(2)
_cell_measurement_reflns_used    25
_cell_measurement_temperature    297
_cell_measurement_theta_max      20.0
_cell_measurement_theta_min      19.8
_cell_volume                     2646.2(7)
_diffrn_measurement_device       'Rigaku AFC-5R diffractometer'
_diffrn_measurement_method       ω/2θ
_diffrn_radiation_monochromator  graphite
_diffrn_radiation_source         '12kW rotating anode generator'
_diffrn_radiation_type           'Mo K\a'
_diffrn_radiation_wavelength     .71069
_diffrn_reflns_limit_h_max       23
_diffrn_reflns_limit_h_min       0
_diffrn_reflns_limit_k_max       18
_diffrn_reflns_limit_k_min       0
_diffrn_reflns_limit_l_max       0
_diffrn_reflns_limit_l_min       -17
_diffrn_reflns_number            4335
_diffrn_reflns_theta_max         30.1
_diffrn_standards_decay_%        0
_diffrn_standards_interval_count 150
_diffrn_standards_number         3
_exptl_absorpt_coefficient_mu    10.945
_exptl_absorpt_correction_T_max  1.00
_exptl_absorpt_correction_T_min  .45
_exptl_absorpt_correction_type   empirical
_exptl_crystal_colour            colorless
_exptl_crystal_density_diffrn    2.185
_exptl_crystal_density_meas      2.18
_exptl_crystal_description       block
_exptl_crystal_F_000             1648
_exptl_crystal_size_max          .38
_exptl_crystal_size_mid          .35
_exptl_crystal_size_min          .35
_refine_diff_density_max         2.23
_refine_diff_density_min         -3.42
_refine_ls_goodness_of_fit_obs   1.68
_refine_ls_hydrogen_treatment    noref
_refine_ls_matrix_type           full
_refine_ls_number_parameters     136
_refine_ls_number_reflns         2389
_refine_ls_R_factor_obs          .040
_refine_ls_shift/esd_max         .05
_refine_ls_structure_factor_coef F
_refine_ls_weighting_details     'w = 1.0/σ²(Fₒ)'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_obs         .044
_reflns_number_observed          2389
_reflns_number_total             4335
_reflns_observed_criterion       F>3.0\s(F)
_cod_data_source_file            as1038.cif
_cod_data_source_block           default
_cod_depositor_comments
;
The following automatic conversions were performed:

'_refine_ls_weighting_scheme' value 'w = 1.0/\s^2^(F~o~)' was changed
to 'calc'. New tag '_refine_ls_weighting_details' was created. The
value of the new tag was set to 'w = 1.0/\s^2^(F~o~)'.

Automatic conversion script
Id: cif_fix_values 3143 2015-03-26 13:38:13Z robertas 
;
_cod_original_cell_volume        2646.0(10)
_cod_original_formula_sum        'C8 H18 O4 P2 Pt1'
_cod_database_code               2001518
loop_
_symmetry_equiv_pos_as_xyz
+X,+Y,+Z
1/2+X,1/2-Y,-Z
-X,1/2+Y,1/2-Z
1/2-X,-Y,1/2+Z
-X,-Y,-Z
1/2-X,1/2+Y,+Z
+X,1/2-Y,1/2+Z
1/2+X,+Y,1/2-Z
loop_
_atom_site_label
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_U_iso_or_equiv
Pt(1) 0.04136(2) 0.09912(3) 0.12733(3) 0.02550(10)
P(1) 0.06330(10) -0.0050(2) 0.2673(2) 0.0290(10)
P(2) 0.16890(10) 0.1315(2) 0.0877(2) 0.0280(10)
O(1) -0.0814(4) 0.0858(5) 0.1439(5) 0.038(4)
O(2) 0.0071(4) 0.2064(5) 0.0116(6) 0.042(4)
O(3) -0.1000(4) 0.2991(6) -0.0290(6) 0.057(5)
O(4) -0.1930(4) 0.1523(7) 0.0770(7) 0.065(5)
C(1) -0.1207(6) 0.1506(8) 0.0824(9) 0.039(5)
C(2) -0.0695(6) 0.2264(8) 0.0169(8) 0.038(5)
C(11) -0.0302(6) -0.0440(10) 0.3270(10) 0.073(9)
C(12) 0.1148(8) -0.1246(8) 0.2430(10) 0.060(8)
C(13) 0.1138(8) 0.0540(10) 0.3812(9) 0.058(8)
C(21) 0.1975(6) 0.2564(9) 0.1360(10) 0.056(8)
C(22) 0.2508(6) 0.0510(10) 0.1290(10) 0.058(6)
C(23) 0.1810(7) 0.1400(10) -0.0577(8) 0.051(6)
H(1) -0.0597 0.0164 0.3512 0.086
H(2) -0.0635 -0.0765 0.2717 0.086
H(3) -0.0231 -0.0886 0.3852 0.086
H(4) 0.1200 -0.1623 0.3090 0.071
H(5) 0.0823 -0.1666 0.1930 0.071
H(6) 0.1648 -0.1136 0.2104 0.071
H(7) 0.1185 0.0082 0.4409 0.070
H(8) 0.1647 0.0797 0.3611 0.070
H(9) 0.0820 0.1134 0.4071 0.070
H(10) 0.2506 0.2726 0.1156 0.067
H(11) 0.1621 0.3083 0.1052 0.067
H(12) 0.1924 0.2605 0.2138 0.067
H(13) 0.2492 0.0391 0.2071 0.072
H(14) 0.2458 -0.0168 0.0951 0.072
H(15) 0.3005 0.0788 0.1100 0.072
H(16) 0.2315 0.1689 -0.0769 0.062
H(17) 0.1770 0.0730 -0.0913 0.062
H(18) 0.1395 0.1823 -0.0897 0.062
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_2
_geom_angle_site_symmetry_3
_geom_angle
_geom_angle_publ_flag
P(1) Pt(1) P(2) . . . 97.27(9) yes
P(1) Pt(1) O(1) . . . 92.1(2) yes
P(1) Pt(1) O(2) . . . 171.1(2) yes
P(2) Pt(1) O(1) . . . 170.6(2) yes
P(2) Pt(1) O(2) . . . 89.3(2) yes
O(1) Pt(1) O(2) . . . 81.4(3) yes
Pt(1) P(1) C(11) . . . 110.0(4) yes
Pt(1) P(1) C(12) . . . 118.8(4) yes
Pt(1) P(1) C(13) . . . 114.4(4) yes
C(11) P(1) C(12) . . . 103.8(7) yes
C(11) P(1) C(13) . . . 102.3(7) yes
C(12) P(1) C(13) . . . 105.9(6) yes
Pt(1) P(2) C(21) . . . 110.8(4) yes
Pt(1) P(2) C(22) . . . 123.8(4) yes
Pt(1) P(2) C(23) . . . 109.6(4) yes
C(21) P(2) C(22) . . . 103.4(6) yes
C(21) P(2) C(23) . . . 104.1(6) yes
C(22) P(2) C(23) . . . 103.2(6) yes
Pt(1) O(1) C(1) . . . 112.7(6) yes
Pt(1) O(2) C(2) . . . 111.7(6) yes
O(1) C(1) O(4) . . . 123.0(10) yes
O(1) C(1) C(2) . . . 116.0(8) yes
O(4) C(1) C(2) . . . 121.0(10) yes
O(2) C(2) O(3) . . . 123.0(10) yes
O(2) C(2) C(1) . . . 116.3(8) yes
O(3) C(2) C(1) . . . 120.8(9) yes
P(1) C(11) H(1) . . . 109.58 no
P(2) C(21) H(10) . . . 111.38 no
P(1) C(11) H(2) . . . 109.62 no
P(2) C(21) H(11) . . . 109.83 no
P(1) C(11) H(3) . . . 112.26 no
P(2) C(21) H(12) . . . 110.77 no
H(1) C(11) H(2) . . . 105.90 no
H(10) C(21) H(11) . . . 108.19 no
H(1) C(11) H(3) . . . 109.64 no
H(10) C(21) H(12) . . . 109.51 no
H(2) C(11) H(3) . . . 109.65 no
H(11) C(21) H(12) . . . 107.03 no
P(1) C(12) H(4) . . . 110.43 no
P(2) C(22) H(13) . . . 110.51 no
P(1) C(12) H(5) . . . 108.63 no
P(2) C(22) H(14) . . . 109.98 no
P(1) C(12) H(6) . . . 111.32 no
P(2) C(22) H(15) . . . 112.33 no
H(4) C(12) H(5) . . . 107.05 no
H(13) C(22) H(14) . . . 105.80 no
H(4) C(12) H(6) . . . 111.14 no
H(13) C(22) H(15) . . . 109.39 no
H(5) C(12) H(6) . . . 108.12 no
H(14) C(22) H(15) . . . 108.61 no
P(1) C(13) H(7) . . . 111.63 no
P(2) C(23) H(16) . . . 111.64 no
P(1) C(13) H(8) . . . 111.68 no
P(2) C(23) H(17) . . . 111.04 no
P(1) C(13) H(9) . . . 109.27 no
P(2) C(23) H(18) . . . 110.87 no
H(7) C(13) H(8) . . . 110.44 no
H(16) C(23) H(17) . . . 108.19 no
H(7) C(13) H(9) . . . 106.77 no
H(16) C(23) H(18) . . . 107.99 no
H(8) C(13) H(9) . . . 106.80 no
H(17) C(23) H(18) . . . 106.93 no
loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_site_symmetry_1
_geom_bond_site_symmetry_2
_geom_bond_distance
_geom_bond_publ_flag
Pt(1) P(1) . . 2.212(2) yes
Pt(1) P(2) . . 2.219(2) yes
Pt(1) O(1) . . 2.064(6) yes
Pt(1) O(2) . . 2.066(6) yes
P(1) C(11) . . 1.790(10) yes
P(1) C(12) . . 1.800(10) yes
P(1) C(13) . . 1.800(10) yes
P(2) C(21) . . 1.790(10) yes
P(2) C(22) . . 1.790(10) yes
P(2) C(23) . . 1.790(10) yes
O(1) C(1) . . 1.300(10) yes
O(2) C(2) . . 1.300(10) yes
O(3) C(2) . . 1.210(10) yes
O(4) C(1) . . 1.210(10) yes
C(1) C(2) . . 1.530(10) yes
C(11) H(1) . . 0.971 no
C(21) H(10) . . 0.944 no
C(11) H(2) . . 0.971 no
C(21) H(11) . . 0.973 no
C(11) H(3) . . 0.930 no
C(21) H(12) . . 0.955 no
C(12) H(4) . . 0.944 no
C(22) H(13) . . 0.966 no
C(12) H(5) . . 0.984 no
C(22) H(14) . . 0.978 no
C(12) H(6) . . 0.936 no
C(22) H(15) . . 0.934 no
C(13) H(7) . . 0.949 no
C(23) H(16) . . 0.952 no
C(13) H(8) . . 0.943 no
C(23) H(17) . . 0.962 no
C(13) H(9) . . 0.983 no
C(23) H(18) . . 0.968 no
loop_
_geom_contact_atom_site_label_1
_geom_contact_atom_site_label_2
_geom_contact_distance
_geom_contact_site_symmetry_1
_geom_contact_site_symmetry_2
_geom_contact_publ_flag
O(1) C(23) 3.530(10) . 5 no
O(4) C(22) 3.78(2) . 5 no
O(1) C(22) 3.960(10) . 8_455 no
O(4) C(23) 3.81(2) . 5 no
O(2) C(11) 3.820(10) . 3 no
O(4) C(12) 3.860(10) . 3 no
O(2) C(12) 3.87(2) . 5 no
O(4) C(22) 3.94(2) . 8_455 no
O(2) C(13) 3.92(2) . 7_554 no
C(1) C(12) 3.620(10) . 3 no
O(3) C(22) 3.390(10) . 2_455 no
C(1) C(23) 3.92(2) . 5 no
O(3) C(12) 3.47(2) . 5 no
C(1) C(12) 4.00(2) . 5 no
O(3) C(12) 3.640(10) . 3 no
C(2) C(12) 3.53(2) . 5 no
O(3) C(21) 3.690(10) . 2_455 no
C(2) C(12) 3.59(2) . 3 no
O(3) C(13) 3.78(2) . 3 no
C(2) C(11) 3.91(2) . 3 no
O(3) C(11) 3.82(2) . 7_554 no
C(11) C(13) 3.84(2) . 5_556 no
O(3) C(11) 3.870(10) . 3 no
C(11) C(21) 3.84(2) . 3_545 no
O(3) C(23) 3.880(10) . 2_455 no
C(11) C(22) 3.89(2) . 8_455 no
O(4) C(21) 3.390(10) . 2_455 no
C(12) C(21) 3.73(2) . 6_545 no
O(4) C(23) 3.430(10) . 2_455 no
C(21) C(22) 3.92(2) . 6 no
O(4) C(13) 3.500(10) . 8_455 no
C(21) C(23) 3.99(2) . 7 no
O(1) H(17) 2.684 . 5 no
O(4) H(8) 2.662 . 8_455 no
O(1) H(4) 3.385 . 3 no
O(4) H(10) 2.716 . 2_455 no
O(1) H(13) 3.413 . 8_455 no
O(4) H(14) 2.881 . 5 no
O(1) H(15) 3.596 . 8_455 no
O(4) H(17) 2.945 . 5 no
O(1) H(18) 3.674 . 5 no
O(4) H(4) 3.036 . 3 no
O(1) H(5) 3.785 . 3 no
O(4) H(13) 3.171 . 8_455 no
O(2) H(9) 2.945 . 7_554 no
O(4) H(11) 3.324 . 7_455 no
O(2) H(5) 2.958 . 5 no
O(4) H(12) 3.487 . 8_455 no
O(2) H(3) 2.958 . 3 no
O(4) H(18) 3.526 . 2_455 no
O(2) H(4) 3.494 . 3 no
O(4) H(6) 3.581 . 5 no
O(2) H(2) 3.965 . 5 no
O(4) H(7) 3.663 . 8_455 no
O(2) H(2) 3.982 . 3 no
O(4) H(5) 3.786 . 5 no
O(3) H(15) 2.499 . 2_455 no
O(4) H(9) 3.789 . 8_455 no
O(3) H(5) 2.659 . 5 no
O(4) H(15) 3.946 . 8_455 no
O(3) H(4) 2.757 . 3 no
C(1) H(4) 2.769 . 3 no
O(3) H(10) 2.861 . 2_455 no
C(1) H(17) 3.055 . 5 no
O(3) H(1) 2.889 . 7_554 no
C(1) H(10) 3.385 . 2_455 no
O(3) H(7) 2.939 . 3 no
C(1) H(16) 3.402 . 2_455 no
O(3) H(3) 3.070 . 3 no
C(1) H(5) 3.434 . 5 no
O(3) H(16) 3.120 . 2_455 no
C(1) H(14) 3.475 . 5 no
O(3) H(9) 3.332 . 7_554 no
C(1) H(13) 3.663 . 8_455 no
O(3) H(6) 3.448 . 5 no
C(1) H(5) 3.686 . 3 no
O(3) H(4) 3.871 . 5 no
C(1) H(6) 3.687 . 5 no
O(3) H(14) 3.906 . 2_455 no
C(1) H(8) 3.757 . 8_455 no
O(3) H(13) 3.933 . 2_455 no
C(2) H(5) 2.690 . 5 no
O(4) H(16) 2.642 . 2_455 no
C(2) H(4) 2.707 . 3 no
C(2) H(3) 3.096 . 3 no
C(13) H(15) 3.586 . 4 no
C(2) H(10) 3.407 . 2_455 no
C(13) H(17) 3.875 . 4 no
C(2) H(6) 3.520 . 5 no
C(13) H(16) 3.915 . 4 no
C(2) H(9) 3.537 . 7_554 no
C(21) H(6) 2.991 . 6 no
C(2) H(16) 3.658 . 2_455 no
C(21) H(14) 3.134 . 6 no
C(2) H(15) 3.674 . 2_455 no
C(21) H(2) 3.312 . 3 no
C(2) H(7) 3.786 . 3 no
C(21) H(3) 3.545 . 3 no
C(2) H(5) 3.815 . 3 no
C(21) H(18) 3.579 . 7 no
C(2) H(1) 3.911 . 7_554 no
C(21) H(16) 3.684 . 7 no
C(11) H(11) 3.035 . 3_545 no
C(21) H(9) 3.796 . 7_554 no
C(11) H(7) 3.232 . 5_556 no
C(21) H(4) 3.850 . 6 no
C(11) H(15) 3.330 . 8_455 no
C(21) H(5) 3.866 . 6 no
C(11) H(9) 3.486 . 5_556 no
C(21) H(13) 3.877 . 6 no
C(11) H(12) 3.744 . 3_545 no
C(22) H(1) 3.199 . 8 no
C(11) H(17) 3.796 . 5 no
C(22) H(7) 3.260 . 4_554 no
C(11) H(13) 3.853 . 8_455 no
C(22) H(11) 3.483 . 6_545 no
C(11) H(18) 3.867 . 5 no
C(22) H(10) 3.620 . 6_545 no
C(11) H(14) 3.869 . 8_455 no
C(22) H(2) 3.713 . 8 no
C(12) H(10) 3.042 . 6_545 no
C(22) H(8) 3.950 . 4_554 no
C(12) H(16) 3.424 . 4 no
C(22) H(17) 3.966 . 4 no
C(12) H(12) 3.561 . 6_545 no
C(23) H(12) 3.085 . 7_554 no
C(13) H(3) 3.261 . 5_556 no
C(23) H(2) 3.369 . 5 no
C(13) H(11) 3.365 . 7 no
C(23) H(9) 3.632 . 7_554 no
C(13) H(18) 3.464 . 7 no
C(23) H(4) 3.706 . 4_554 no
C(13) H(1) 3.517 . 5_556 no
C(23) H(8) 3.786 . 7_554 no
C(13) H(14) 3.544 . 4 no
C(23) H(6) 3.841 . 4_554 no
C(23) H(7) 3.855 . 4_554 no
H(3) H(15) 3.656 . 8_455 no
C(23) H(13) 3.876 . 4_554 no
H(3) H(3) 3.710 . 5_556 no
C(23) H(8) 3.965 . 4_554 no
H(3) H(8) 3.898 . 5_556 no
H(1) H(15) 2.511 . 8_455 no
H(3) H(14) 3.970 . 8_455 no
H(1) H(7) 2.743 . 5_556 no
H(4) H(16) 2.841 . 4 no
H(1) H(11) 3.241 . 3_545 no
H(4) H(10) 3.308 . 6_545 no
H(1) H(13) 3.276 . 8_455 no
H(4) H(12) 3.482 . 6_545 no
H(1) H(14) 3.335 . 8_455 no
H(4) H(17) 3.778 . 4 no
H(1) H(9) 3.423 . 5_556 no
H(5) H(10) 3.044 . 6_545 no
H(1) H(3) 3.629 . 5_556 no
H(5) H(12) 3.879 . 6_545 no
H(1) H(17) 3.906 . 5 no
H(5) H(18) 3.911 . 5 no
H(2) H(11) 2.684 . 3_545 no
H(5) H(15) 3.973 . 6_545 no
H(2) H(17) 2.905 . 5 no
H(6) H(10) 2.349 . 6_545 no
H(2) H(18) 2.905 . 5 no
H(6) H(12) 2.888 . 6_545 no
H(2) H(12) 3.021 . 3_545 no
H(6) H(16) 3.204 . 4 no
H(2) H(15) 3.361 . 8_455 no
H(6) H(11) 3.318 . 6_545 no
H(2) H(13) 3.473 . 8_455 no
H(6) H(17) 3.621 . 4 no
H(2) H(14) 3.654 . 8_455 no
H(7) H(15) 2.714 . 4 no
H(2) H(7) 3.738 . 5_556 no
H(7) H(14) 2.946 . 4 no
H(2) H(16) 3.865 . 5 no
H(7) H(11) 3.199 . 7 no
H(2) H(10) 3.932 . 3_545 no
H(7) H(16) 3.404 . 4 no
H(2) H(9) 3.969 . 5_556 no
H(7) H(17) 3.589 . 4 no
H(3) H(11) 2.678 . 3_545 no
H(7) H(13) 3.978 . 4 no
H(3) H(9) 2.741 . 5_556 no
H(8) H(18) 3.177 . 7 no
H(3) H(7) 2.852 . 5_556 no
H(8) H(11) 3.319 . 7 no
H(3) H(12) 3.643 . 3_545 no
H(8) H(14) 3.328 . 4 no
H(8) H(16) 3.532 . 7 no
H(8) H(15) 3.719 . 4 no
H(8) H(16) 3.741 . 4 no
H(8) H(10) 3.925 . 7 no
H(9) H(18) 2.822 . 7 no
H(9) H(11) 2.946 . 7 no
H(9) H(16) 3.774 . 7 no
H(9) H(14) 3.885 . 4 no
H(10) H(14) 2.747 . 6 no
H(10) H(13) 3.638 . 6 no
H(10) H(16) 3.849 . 7 no
H(11) H(14) 2.744 . 6 no
H(11) H(13) 3.568 . 6 no
H(11) H(15) 3.568 . 6 no
H(11) H(18) 3.752 . 7 no
H(12) H(18) 2.665 . 7 no
H(12) H(16) 2.795 . 7 no
H(12) H(17) 3.228 . 7 no
H(12) H(14) 3.396 . 6 no
H(12) H(13) 3.749 . 6 no
H(13) H(17) 3.116 . 4 no
H(13) H(16) 3.792 . 4 no
