#------------------------------------------------------------------------------
#$Date: 2016-03-23 23:52:22 +0200 (Wed, 23 Mar 2016) $
#$Revision: 179516 $
#$URL: svn://www.crystallography.net/cod/cif/4/34/13/4341321.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_4341321
loop_
_publ_author_name
'Bauer, Susanne'
'Hunger, Cornelia'
'Bodensteiner, Michael'
'Ojo, Wilfried-Solo'
'Cros-Gagneux, Arnaud'
'Chaudret, Bruno'
'Nayral, Céline'
'Delpech, Fabien'
'Scheer, Manfred'
_publ_section_title
;
 Transition-metal complexes containing parent phosphine or phosphinyl
 ligands and their use as precursors for phosphide nanoparticles.
;
_journal_issue                   21
_journal_name_full               'Inorganic chemistry'
_journal_page_first              11438
_journal_page_last               11446
_journal_paper_doi               10.1021/ic5012082
_journal_volume                  53
_journal_year                    2014
_chemical_formula_moiety         'C7 H7 O7 P3 W2'
_chemical_formula_sum            'C7 H7 O7 P3 W2'
_chemical_formula_weight         663.74
_chemical_name_systematic
;
 ?
;
_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   mixed
_audit_creation_date             2014-08-04
_audit_creation_method
;
Olex2 1.2-beta
(compiled 2014.07.22 svn.r2960 for OlexSys, GUI svn.r4862)
;
_cell_angle_alpha                111.050(13)
_cell_angle_beta                 92.726(12)
_cell_angle_gamma                114.076(13)
_cell_formula_units_Z            1
_cell_length_a                   7.0082(10)
_cell_length_b                   7.4298(10)
_cell_length_c                   8.8711(13)
_cell_measurement_reflns_used    4082
_cell_measurement_temperature    123(2)
_cell_measurement_theta_max      66.6586
_cell_measurement_theta_min      5.4898
_cell_volume                     383.24(12)
_computing_cell_refinement
;
CrysAlisPro, Oxford Diffraction Ltd.,
Version 1.171.33.34d (release 27-02-2009 CrysAlis171 .NET)
(compiled Feb 27 2009,15:38:38)
;
_computing_data_collection
;
CrysAlisPro, Oxford Diffraction Ltd.,
Version 1.171.33.34d (release 27-02-2009 CrysAlis171 .NET)
(compiled Feb 27 2009,15:38:38)
;
_computing_data_reduction
;
CrysAlisPro, Oxford Diffraction Ltd.,
Version 1.171.33.34d (release 27-02-2009 CrysAlis171 .NET)
(compiled Feb 27 2009,15:38:38)
;
_computing_molecular_graphics    'Olex2 (Dolomanov et al., 2009)'
_computing_publication_material  'Olex2 (Dolomanov et al., 2009)'
_computing_structure_refinement  'ShelXL (Sheldrick, 2008)'
_diffrn_ambient_temperature      123.15
_diffrn_detector_area_resol_mean 10.5431
_diffrn_measured_fraction_theta_full 0.943
_diffrn_measured_fraction_theta_max 0.965
_diffrn_measurement_details
;
  1 omega  -99.00  -53.00   2.0000    3.0000
omega____ theta____ kappa____ phi______ frames
    -      -11.6137  179.0000 -120.0000 23

  2 omega    7.00   41.00   2.0000    3.0000
omega____ theta____ kappa____ phi______ frames
    -       11.6137  -77.0000 -120.0000 17

  3 omega   34.00   62.00   2.0000    3.0000
omega____ theta____ kappa____ phi______ frames
    -       11.6137  179.0000  150.0000 14

  4 omega  -36.00    6.00   2.0000    3.0000
omega____ theta____ kappa____ phi______ frames
    -       11.6137  -77.0000 -120.0000 21

  5 omega  -66.00  -38.00   2.0000    3.0000
omega____ theta____ kappa____ phi______ frames
    -       11.6137  -77.0000 -120.0000 14

  6 omega   62.00  100.00   2.0000    3.0000
omega____ theta____ kappa____ phi______ frames
    -       11.6137  179.0000  150.0000 19

  7 omega   -6.00   24.00   2.0000    3.0000
omega____ theta____ kappa____ phi______ frames
    -       30.0000   84.0000 -117.0000 15

  8 omega  -35.00   27.00   2.0000    3.0000
omega____ theta____ kappa____ phi______ frames
    -       30.0000  -60.0000  129.0000 31

  9 omega   26.00   58.00   2.0000    3.0000
omega____ theta____ kappa____ phi______ frames
    -       30.0000  -60.0000  129.0000 16

 10 omega   -3.00   25.00   2.0000    3.0000
omega____ theta____ kappa____ phi______ frames
    -       32.0000   84.0000    3.0000 14

 11 omega   21.00   53.00   2.0000    3.0000
omega____ theta____ kappa____ phi______ frames
    -       42.0000   77.0000  165.0000 16

 12 omega   10.00   38.00   2.0000    3.0000
omega____ theta____ kappa____ phi______ frames
    -       44.0000   79.0000   93.0000 14

 13 omega  -73.00  -27.00   2.0000    5.0000
omega____ theta____ kappa____ phi______ frames
    -      -52.0000  -75.0000 -176.0000 23

 14 omega -129.00  -83.00   2.0000    5.0000
omega____ theta____ kappa____ phi______ frames
    -      -52.0000  -75.0000 -176.0000 23

 15 omega  -66.00  -22.00   2.0000    5.0000
omega____ theta____ kappa____ phi______ frames
    -      -56.0000  -79.0000 -133.0000 22

 16 omega  -46.00  -20.00   2.0000    5.0000
omega____ theta____ kappa____ phi______ frames
    -      -56.0000  -84.0000   85.0000 13

 17 omega   24.00   60.00   2.0000    5.0000
omega____ theta____ kappa____ phi______ frames
    -       58.0000   77.0000   14.0000 18

 18 omega  -66.00  -28.00   2.0000    5.0000
omega____ theta____ kappa____ phi______ frames
    -      -62.0000  -77.0000  -62.0000 19

 19 omega  -56.00  -28.00   2.0000    5.0000
omega____ theta____ kappa____ phi______ frames
    -      -62.0000  -79.0000    1.0000 14

 20 omega   33.00   63.00   2.0000    5.0000
omega____ theta____ kappa____ phi______ frames
    -       64.0000   77.0000   95.0000 15

 21 omega  -73.00  -43.00   2.0000    5.0000
omega____ theta____ kappa____ phi______ frames
    -      -68.0000  -75.0000 -157.0000 15

 22 omega  -68.00  -40.00   2.0000    5.0000
omega____ theta____ kappa____ phi______ frames
    -      -72.0000  -71.0000  -13.0000 14

 23 omega  -76.00  -40.00   2.0000    5.0000
omega____ theta____ kappa____ phi______ frames
    -      -72.0000  -69.0000  131.0000 18

 24 omega  -69.00  -41.00   2.0000    5.0000
omega____ theta____ kappa____ phi______ frames
    -      -74.0000  -71.0000  -41.0000 14

 25 omega  -72.00  -42.00   2.0000    5.0000
omega____ theta____ kappa____ phi______ frames
    -      -74.0000  -71.0000   88.0000 15

 26 omega  -80.00  -42.00   2.0000    5.0000
omega____ theta____ kappa____ phi______ frames
    -      -76.0000  -73.0000 -112.0000 19

 27 omega  -73.00  -45.00   2.0000    5.0000
omega____ theta____ kappa____ phi______ frames
    -      -78.0000  -77.0000   71.0000 14

 28 omega  -82.00  -48.00   2.0000    5.0000
omega____ theta____ kappa____ phi______ frames
    -      -80.0000  -68.0000 -135.0000 17

 29 omega  -80.00  -50.00   2.0000    5.0000
omega____ theta____ kappa____ phi______ frames
    -      -80.0000  -68.0000   15.0000 15

 30 omega  -84.00  -48.00   2.0000    5.0000
omega____ theta____ kappa____ phi______ frames
    -      -82.0000  -77.0000  -69.0000 18

 31 omega -111.00  -19.00   2.0000    5.0000
omega____ theta____ kappa____ phi______ frames
    -      -90.0000  125.0000  -90.0000 46

 32 omega  -87.00  -57.00   2.0000    5.0000
omega____ theta____ kappa____ phi______ frames
    -      -90.0000  -77.0000 -150.0000 15

 33 omega  -96.00  -58.00   2.0000    5.0000
omega____ theta____ kappa____ phi______ frames
    -      -90.0000  -71.0000   73.0000 19

 34 omega -164.00 -104.00   2.0000    5.0000
omega____ theta____ kappa____ phi______ frames
    -      -90.0000  -71.0000   73.0000 30

 35 omega -112.00  -70.00   2.0000    5.0000
omega____ theta____ kappa____ phi______ frames
    -      -90.0000  125.0000    0.0000 21

 36 omega  -88.00  -58.00   2.0000    5.0000
omega____ theta____ kappa____ phi______ frames
    -      -90.0000  -69.0000   -6.0000 15

 37 omega -144.00  -98.00   2.0000    5.0000
omega____ theta____ kappa____ phi______ frames
    -      -90.0000  -69.0000   -6.0000 23

 38 omega -153.00  -61.00   2.0000    5.0000
omega____ theta____ kappa____ phi______ frames
    -      -90.0000  -63.0000  107.0000 46

 39 omega -118.00  -88.00   2.0000    5.0000
omega____ theta____ kappa____ phi______ frames
    -      -90.0000  -75.0000   34.0000 15

 40 omega -156.00 -126.00   2.0000    5.0000
omega____ theta____ kappa____ phi______ frames
    -      -90.0000  -75.0000   34.0000 15

 41 omega  -92.00  -56.00   2.0000    5.0000
omega____ theta____ kappa____ phi______ frames
    -      -90.0000  -77.0000  150.0000 18

 42 omega -145.00  -59.00   2.0000    5.0000
omega____ theta____ kappa____ phi______ frames
    -      -90.0000  -65.0000  -70.0000 43

 43 omega -166.00 -122.00   2.0000    5.0000
omega____ theta____ kappa____ phi______ frames
    -      -90.0000  -77.0000  150.0000 22

 44 omega  -87.00  -57.00   2.0000    5.0000
omega____ theta____ kappa____ phi______ frames
    -      -90.0000  -77.0000  -30.0000 15

 45 omega   15.00   65.00   2.0000    5.0000
omega____ theta____ kappa____ phi______ frames
    -       93.5000  -77.0000   30.0000 25

 46 omega  125.00  151.00   2.0000    5.0000
omega____ theta____ kappa____ phi______ frames
    -       93.5000   77.0000   60.0000 13

 47 omega   60.00   96.00   2.0000    5.0000
omega____ theta____ kappa____ phi______ frames
    -       93.5000   77.0000   60.0000 18

 48 omega   61.00  133.00   2.0000    5.0000
omega____ theta____ kappa____ phi______ frames
    -       93.5000   77.0000    0.0000 36

 49 omega  108.00  172.00   2.0000    5.0000
omega____ theta____ kappa____ phi______ frames
    -       93.5000   77.0000  -90.0000 32

 50 omega   74.00  102.00   2.0000    5.0000
omega____ theta____ kappa____ phi______ frames
    -       93.5000   77.0000  -90.0000 14

 51 omega  136.00  164.00   2.0000    5.0000
omega____ theta____ kappa____ phi______ frames
    -       93.5000   77.0000 -120.0000 14

 52 omega   66.00  112.00   2.0000    5.0000
omega____ theta____ kappa____ phi______ frames
    -       93.5000   77.0000 -120.0000 23

 53 omega   98.00  156.00   2.0000    5.0000
omega____ theta____ kappa____ phi______ frames
    -       93.5000   77.0000 -180.0000 29

 54 omega   63.00  127.00   2.0000    5.0000
omega____ theta____ kappa____ phi______ frames
    -       93.5000   77.0000  120.0000 32

 55 omega   61.00   91.00   2.0000    5.0000
omega____ theta____ kappa____ phi______ frames
    -       93.5000   77.0000 -180.0000 15

 56 omega   65.00  127.00   2.0000    5.0000
omega____ theta____ kappa____ phi______ frames
    -       93.5000  -77.0000  120.0000 31

 57 omega   62.00  172.00   2.0000    5.0000
omega____ theta____ kappa____ phi______ frames
    -       93.5000   77.0000 -150.0000 55

 58 omega  134.00  164.00   2.0000    5.0000
omega____ theta____ kappa____ phi______ frames
    -       93.5000  125.0000  120.0000 15

 59 omega   77.00  129.00   2.0000    5.0000
omega____ theta____ kappa____ phi______ frames
    -       93.5000  125.0000  120.0000 26

 60 omega   78.00  120.00   2.0000    5.0000
omega____ theta____ kappa____ phi______ frames
    -       93.5000  -48.0000  152.0000 21

 61 omega   27.00   59.00   2.0000    5.0000
omega____ theta____ kappa____ phi______ frames
    -       93.5000  -48.0000  152.0000 16

 62 omega   68.00  128.00   2.0000    5.0000
omega____ theta____ kappa____ phi______ frames
    -       93.5000  -77.0000   30.0000 30
;
_diffrn_measurement_device_type
'Goniometer Xcalibur, detector: Ruby (Gemini ultra Cu)'
_diffrn_measurement_method       'ω scans'
_diffrn_orient_matrix_UB_11      -0.1903431232
_diffrn_orient_matrix_UB_12      0.0043586325
_diffrn_orient_matrix_UB_13      0.0771111676
_diffrn_orient_matrix_UB_21      -0.1201806496
_diffrn_orient_matrix_UB_22      -0.2487322653
_diffrn_orient_matrix_UB_23      -0.0826299114
_diffrn_orient_matrix_UB_31      0.1024773845
_diffrn_orient_matrix_UB_32      -0.0086478293
_diffrn_orient_matrix_UB_33      0.1532137982
_diffrn_radiation_monochromator  mirror
_diffrn_radiation_type           CuK\a
_diffrn_radiation_wavelength     1.54178
_diffrn_reflns_av_R_equivalents  0.1595
_diffrn_reflns_av_unetI/netI     0.0887
_diffrn_reflns_Laue_measured_fraction_full 0.943
_diffrn_reflns_Laue_measured_fraction_max 0.965
_diffrn_reflns_limit_h_max       8
_diffrn_reflns_limit_h_min       -8
_diffrn_reflns_limit_k_max       8
_diffrn_reflns_limit_k_min       -8
_diffrn_reflns_limit_l_max       10
_diffrn_reflns_limit_l_min       -10
_diffrn_reflns_number            5585
_diffrn_reflns_point_group_measured_fraction_full 0.943
_diffrn_reflns_point_group_measured_fraction_max 0.965
_diffrn_reflns_theta_full        67.679
_diffrn_reflns_theta_max         66.716
_diffrn_reflns_theta_min         5.487
_diffrn_source                   'Enhance Ultra (Cu) X-ray Source'
_exptl_absorpt_coefficient_mu    30.530
_exptl_absorpt_correction_T_max  0.524
_exptl_absorpt_correction_T_min  0.119
_exptl_absorpt_correction_type   analytical
_exptl_absorpt_process_details
;
;
_exptl_crystal_colour_primary    red
_exptl_crystal_density_diffrn    2.876
_exptl_crystal_description       rod
_exptl_crystal_F_000             298
_exptl_crystal_size_max          0.1173
_exptl_crystal_size_mid          0.0663
_exptl_crystal_size_min          0.0281
_refine_diff_density_max         3.077
_refine_diff_density_min         -3.033
_refine_diff_density_rms         0.431
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.081
_refine_ls_hydrogen_treatment    mixed
_refine_ls_matrix_type           full
_refine_ls_number_parameters     117
_refine_ls_number_reflns         1312
_refine_ls_number_restraints     61
_refine_ls_restrained_S_all      1.056
_refine_ls_R_factor_all          0.0637
_refine_ls_R_factor_gt           0.0609
_refine_ls_shift/su_max          0.002
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'w=1/[σ²(Fo²)+(0.1130P)²+2.0131P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1605
_refine_ls_wR_factor_ref         0.1638
_reflns_Friedel_coverage         0.000
_reflns_number_gt                1224
_reflns_number_total             1312
_reflns_threshold_expression     'I > 2σ(I)'
_cod_data_source_file            ic5012082_si_006.cif
_cod_data_source_block           1
_cod_depositor_comments
'Adding full bibliography for 4341321--4341322.cif.'
_cod_original_cell_volume        383.24(11)
_cod_database_code               4341321
#BEGIN Tags that were not found in dictionaries:
_shelxl_version_number           2014-3
_chemical_oxdiff_formula         'W2 P3 C7 O7 H7'
_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.
;
_olex2_refinement_description
;
1. Others
 Fixed Sof: C2(0.86) O2(0.86) P2(0.36) H2A(0.36) H2B(0.36) H2C(0.36) C4(0.64)
 O4(0.64) P3(0.14) H3A(0.14) H3B(0.14) H3C(0.14)
 Fixed Uiso: H2A(0.053) H2B(0.053) H2C(0.053) H1A(0.028) H1B(0.028) H3A(0.056)
 H3B(0.056) H3C(0.056)
;
_olex2_submission_original_sample_id 3b_neu
_olex2_submission_special_instructions 'No special instructions were received'
#END Tags that were not found in dictionaries
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_occupancy
_atom_site_disorder_assembly
_atom_site_disorder_group
C1 C -0.216(2) 0.058(3) 0.220(2) 0.037(2) Uani 1 1 d . . . .
C2 C 0.130(4) 0.477(2) 0.310(2) 0.037(2) Uani 0.86 1 d . P A 2
C3 C 0.389(2) 0.284(2) 0.144(2) 0.032(3) Uani 1 1 d . . . .
O1 O -0.3841(16) -0.003(2) 0.2469(15) 0.038(2) Uani 1 1 d . . . .
O2 O 0.145(2) 0.6466(16) 0.3856(14) 0.038(2) Uani 0.86 1 d . P A 2
O3 O 0.5620(16) 0.356(2) 0.1270(16) 0.047(3) Uani 1 1 d . . . .
P1 P -0.0375(6) 0.2037(6) -0.0680(5) 0.0250(8) Uani 1 1 d . . . .
P2 P 0.235(3) 0.200(3) 0.4485(11) 0.035(2) Uani 0.36 1 d D P A 1
H2A H 0.379(4) 0.130(3) 0.4315(12) 0.053 Uiso 0.36 1 calc DGR P A 1
H2B H 0.082(4) 0.084(4) 0.5014(16) 0.053 Uiso 0.36 1 calc DGR P A 1
H2C H 0.324(3) 0.402(5) 0.555(3) 0.053 Uiso 0.36 1 calc DGR P A 1
C4 C 0.209(8) 0.194(8) 0.402(3) 0.035(2) Uani 0.64 1 d . P A 2
O4 O 0.289(3) 0.204(3) 0.5238(17) 0.036(2) Uani 0.64 1 d . P A 2
W1 W 0.08540(8) 0.17030(7) 0.17985(6) 0.0232(3) Uani 1 1 d . . . .
H1A H -0.23(2) 0.22(2) -0.079(18) 0.028 Uiso 1 1 d R . . .
H1B H 0.09(2) 0.35(2) -0.128(18) 0.028 Uiso 1 1 d R . . .
P3 P 0.172(6) 0.539(6) 0.358(4) 0.037(2) Uani 0.14 1 d D P A 1
H3A H 0.313(7) 0.606(6) 0.491(5) 0.056 Uiso 0.14 1 calc DGR P A 1
H3B H -0.001(7) 0.548(6) 0.399(4) 0.056 Uiso 0.14 1 calc DGR P A 1
H3C H 0.250(6) 0.662(7) 0.280(4) 0.056 Uiso 0.14 1 calc DGR P A 1
loop_
_atom_type_symbol
_atom_type_description
_atom_type_scat_dispersion_real
_atom_type_scat_dispersion_imag
_atom_type_scat_source
C C 0.0181 0.0091 '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'
O O 0.0492 0.0322 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
P P 0.2955 0.4335 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
W W -5.4734 5.5774 '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
O1 C1 W1 178.3(15) . .
O2 C2 W1 176.5(19) . .
O3 C3 W1 177.2(13) . .
W1 P1 W1 77.13(10) . 2
W1 P1 H1A 115(6) 2 .
W1 P1 H1A 117(6) . .
W1 P1 H1B 125(6) . .
W1 P1 H1B 121(5) 2 .
H1A P1 H1B 102(8) . .
H2A P2 H2B 109.5 . .
H2A P2 H2C 109.5 . .
H2B P2 H2C 109.5 . .
W1 P2 H2A 109.5 . .
W1 P2 H2B 109.5 . .
W1 P2 H2C 109.5 . .
O4 C4 W1 176(5) . .
C1 W1 P1 91.6(5) . .
C1 W1 P1 88.6(5) . 2
C1 W1 P2 91.1(7) . .
C1 W1 C4 91.1(16) . .
C1 W1 W1 90.2(5) . 2
C1 W1 P3 91.8(10) . .
C2 W1 C1 88.8(8) . .
C2 W1 C3 91.0(8) . .
C2 W1 P1 86.5(7) . .
C2 W1 P1 170.3(6) . 2
C2 W1 C4 85.1(16) . .
C2 W1 W1 137.9(7) . 2
C3 W1 C1 179.0(5) . .
C3 W1 P1 89.3(5) . .
C3 W1 P1 91.5(4) . 2
C3 W1 P2 87.9(6) . .
C3 W1 C4 87.9(16) . .
C3 W1 W1 90.7(4) . 2
C3 W1 P3 87.8(10) . .
P1 W1 P1 102.87(11) . 2
P1 W1 W1 51.38(9) 2 2
P1 W1 W1 51.49(8) . 2
P2 W1 P1 170.9(4) . .
P2 W1 P1 85.9(4) . 2
P2 W1 W1 137.2(4) . 2
C4 W1 P1 171.1(15) . .
C4 W1 P1 85.7(15) . 2
C4 W1 W1 137.0(15) . 2
P3 W1 P1 92.5(9) . .
P3 W1 P1 164.6(9) . 2
P3 W1 P2 78.7(10) . .
P3 W1 W1 144.0(9) . 2
W1 P3 H3A 109.5 . .
W1 P3 H3B 109.5 . .
W1 P3 H3C 109.5 . .
H3A P3 H3B 109.5 . .
H3A P3 H3C 109.5 . .
H3B P3 H3C 109.5 . .
loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_site_symmetry_2
C1 O1 1.147(14) .
C1 W1 2.034(11) .
C2 O2 1.149(14) .
C2 W1 2.032(11) .
C3 O3 1.151(14) .
C3 W1 2.033(11) .
P1 W1 2.459(3) 2
P1 W1 2.455(4) .
P1 H1A 1.40(14) .
P1 H1B 1.41(15) .
P2 H2A 1.30(3) .
P2 H2B 1.30(3) .
P2 H2C 1.30(3) .
P2 W1 2.454(4) .
C4 O4 1.153(14) .
C4 W1 2.035(13) .
W1 P1 2.459(3) 2
W1 W1 3.0632(12) 2
W1 P3 2.41(4) .
P3 H3A 1.30(3) .
P3 H3B 1.30(3) .
P3 H3C 1.30(3) .
#BEGIN Loops that were not found in dictionaries:
loop_
_diffrn_oxdiff_twin_id
_diffrn_oxdiff_twin_ratio
_diffrn_oxdiff_twin_reflns_isolated
_diffrn_oxdiff_twin_reflns_overlapped
1 0.7912 4533 1291
2 0.2088 4375 1291
#END Loops that were not found in dictionaries
