#------------------------------------------------------------------------------
#$Date: 2016-02-19 16:29:56 +0200 (Fri, 19 Feb 2016) $
#$Revision: 176759 $
#$URL: svn://www.crystallography.net/cod/cif/2/00/81/2008138.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_2008138
loop_
_publ_author_name
'Pike, Robert D.'
'Starnes, William H. Jr'
'Carpenter, Gene B.'
_publ_section_title
;
 Cubane tetrameric complexes of copper(I) chloride and bromide with
 triphenyl phosphite
;
_journal_issue                   2
_journal_name_full               'Acta Crystallographica Section C'
_journal_page_first              162
_journal_page_last               165
_journal_paper_doi               10.1107/S0108270198012451
_journal_volume                  55
_journal_year                    1999
_chemical_formula_iupac          '[Cu~4~Br~4~(C~18~H~15~O~3~P)~4~]'
_chemical_formula_moiety         'C72 H60 Br4 Cu4 O12 P4'
_chemical_formula_structural     '[Cu Br (P (O C6 H5)3)]4'
_chemical_formula_sum            'C72 H60 Br4 Cu4 O12 P4'
_chemical_formula_weight         1814.96
_chemical_melting_point          524.15
_chemical_name_common
'cuprous bromide triphenylphosphite cubane tetramer'
_chemical_name_systematic
;
tetra-μ₃-bromo-tetrakis[(triphenyl phosphite-P)copper(I)]
;
_space_group_IT_number           148
_symmetry_cell_setting           trigonal
_symmetry_space_group_name_Hall  '-R 3'
_symmetry_space_group_name_H-M   'R -3 :H'
_audit_creation_method           SHELXL97
_cell_angle_alpha                90.00
_cell_angle_beta                 90.00
_cell_angle_gamma                120.00
_cell_formula_units_Z            6
_cell_length_a                   21.16450(10)
_cell_length_b                   21.16450(10)
_cell_length_c                   28.93780(10)
_cell_measurement_reflns_used    8192
_cell_measurement_temperature    298(2)
_cell_measurement_theta_max      24.89
_cell_measurement_theta_min      1.70
_cell_volume                     11225.67(8)
_computing_cell_refinement       'SAINT (Siemens, 1995)'
_computing_data_collection       'SMART (Siemens, 1995)'
_computing_data_reduction
'SAINT and SADABS (Blessing, 1995; Sheldrick, 1996)'
_computing_molecular_graphics    SHELXTL/PC
_computing_publication_material  SHELXL97
_computing_structure_refinement  'SHELXL97 (Sheldrick, 1997)'
_computing_structure_solution    'SHELXTL/PC (Sheldrick, 1990)'
_diffrn_ambient_temperature      298(2)
_diffrn_measured_fraction_theta_full 0.330
_diffrn_measured_fraction_theta_max 0.330
_diffrn_measurement_device_type  'Siemens P4 CCD'
_diffrn_measurement_method       'ω and φ scans'
_diffrn_radiation_monochromator  graphite
_diffrn_radiation_source         'fine-focus sealed tube'
_diffrn_radiation_type           'Mo K\a'
_diffrn_radiation_wavelength     0.71073
_diffrn_reflns_av_R_equivalents  0.043
_diffrn_reflns_av_sigmaI/netI    0.037
_diffrn_reflns_limit_h_max       24
_diffrn_reflns_limit_h_min       -19
_diffrn_reflns_limit_k_max       23
_diffrn_reflns_limit_k_min       -24
_diffrn_reflns_limit_l_max       34
_diffrn_reflns_limit_l_min       -22
_diffrn_reflns_number            18958
_diffrn_reflns_theta_full        24.89
_diffrn_reflns_theta_max         24.89
_diffrn_reflns_theta_min         1.79
_diffrn_standards_decay_%        0.10
_exptl_absorpt_coefficient_mu    3.400
_exptl_absorpt_correction_T_max  0.507
_exptl_absorpt_correction_T_min  0.307
_exptl_absorpt_correction_type
'empirical (SADABS; Blessing, 1995; Sheldrick, 1996)'
_exptl_crystal_colour            Colorless
_exptl_crystal_density_diffrn    1.611
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       'Irregular block'
_exptl_crystal_F_000             5424
_exptl_crystal_size_max          0.33
_exptl_crystal_size_mid          0.33
_exptl_crystal_size_min          0.20
_refine_diff_density_max         1.314
_refine_diff_density_min         -0.415
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.131
_refine_ls_hydrogen_treatment    riding
_refine_ls_matrix_type           full
_refine_ls_number_parameters     289
_refine_ls_number_reflns         4304
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      1.131
_refine_ls_R_factor_all          0.080
_refine_ls_R_factor_gt           0.048
_refine_ls_shift/su_max          0.058
_refine_ls_shift/su_mean         0.002
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'calc w = 1/[σ²(Fo²)+(0.0808P)²+3.6171P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_all         0.147
_refine_ls_wR_factor_ref         0.147
_reflns_number_gt                3021
_reflns_number_total             4304
_reflns_threshold_expression     I>2σ(I)
_cod_data_source_file            da1019.cif
_cod_data_source_block           2
_cod_depositor_comments
;
The following automatic conversions were performed:

'_chemical_melting_point' value '251 C' was changed to '524.15' - it
was converted from degrees Celsius(C) to Kelvins(K).

Automatic conversion script
Id: cif_fix_values 1646 2011-03-28 12:23:43Z adriana 

The following automatic conversions were performed:

'_chemical_melting_point' value '251 C' was changed to '524.15' - it
was converted from degrees Celsius(C) to Kelvins(K).

Automatic conversion script
Id: cif_fix_values 1715 2011-07-08 13:25:40Z adriana 
;
_cod_original_cell_volume        11225.66(8)
_cod_original_sg_symbol_H-M      R-3
_cod_database_code               2008138
loop_
_symmetry_equiv_pos_as_xyz
'x, y, z'
'-y, x-y, z'
'-x+y, -x, z'
'x+2/3, y+1/3, z+1/3'
'-y+2/3, x-y+1/3, z+1/3'
'-x+y+2/3, -x+1/3, z+1/3'
'x+1/3, y+2/3, z+2/3'
'-y+1/3, x-y+2/3, z+2/3'
'-x+y+1/3, -x+2/3, z+2/3'
'-x, -y, -z'
'y, -x+y, -z'
'x-y, x, -z'
'-x+2/3, -y+1/3, -z+1/3'
'y+2/3, -x+y+1/3, -z+1/3'
'x-y+2/3, x+1/3, -z+1/3'
'-x+1/3, -y+2/3, -z+2/3'
'y+1/3, -x+y+2/3, -z+2/3'
'x-y+1/3, x+2/3, -z+2/3'
loop_
_atom_site_label
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_U_iso_or_equiv
_atom_site_adp_type
_atom_site_calc_flag
_atom_site_refinement_flags
_atom_site_occupancy
_atom_site_disorder_assembly
_atom_site_disorder_group
_atom_site_type_symbol
Br1 0.6667 0.3333 0.03207(3) 0.0764(3) Uani d S 1 . . Br
Cu1 0.6667 0.3333 0.17819(3) 0.0690(4) Uani d S 1 . . Cu
Br2 0.74003(3) 0.45426(3) 0.140054(17) 0.0613(2) Uani d . 1 . . Br
Cu2 0.76863(4) 0.36378(4) 0.08694(3) 0.0807(3) Uani d . 1 . . Cu
P1 0.6667 0.3333 0.25232(7) 0.0581(6) Uani d S 1 . . P
O1 0.7431(2) 0.3754(2) 0.27880(11) 0.0706(10) Uani d . 1 . . O
C1 0.8014(3) 0.3657(3) 0.26658(16) 0.0608(13) Uani d . 1 . . C
C2 0.8521(4) 0.4109(3) 0.2361(2) 0.0784(16) Uani d . 1 . . C
H2A 0.8459 0.4461 0.2209 0.094 Uiso calc R 1 . . H
C3 0.9120(4) 0.4052(4) 0.2274(2) 0.0906(19) Uani d . 1 . . C
H3A 0.9476 0.4378 0.2073 0.109 Uiso calc R 1 . . H
C4 0.9202(4) 0.3520(4) 0.2482(2) 0.091(2) Uani d . 1 . . C
H4A 0.9612 0.3480 0.2421 0.109 Uiso calc R 1 . . H
C5 0.8673(4) 0.3041(4) 0.2782(2) 0.098(2) Uani d . 1 . . C
H5A 0.8719 0.2669 0.2919 0.117 Uiso calc R 1 . . H
C6 0.8073(4) 0.3116(4) 0.28780(19) 0.0800(17) Uani d . 1 . . C
H6A 0.7717 0.2802 0.3084 0.096 Uiso calc R 1 . . H
P2 0.88217(8) 0.42976(8) 0.06743(5) 0.0674(4) Uani d . 1 . . P
O2 0.9232(2) 0.4849(2) 0.10857(12) 0.0752(10) Uani d . 1 . . O
C7 0.9920(3) 0.5461(3) 0.11217(19) 0.0702(15) Uani d . 1 . . C
C8 1.0435(3) 0.5712(4) 0.0777(2) 0.0884(19) Uani d . 1 . . C
H8A 1.0333 0.5464 0.0497 0.106 Uiso calc R 1 . . H
C9 1.1096(4) 0.6324(5) 0.0844(3) 0.108(2) Uani d . 1 . . C
H9A 1.1443 0.6499 0.0610 0.130 Uiso calc R 1 . . H
C10 1.1241(5) 0.6675(5) 0.1260(4) 0.127(3) Uani d . 1 . . C
H10A 1.1697 0.7081 0.1312 0.152 Uiso calc R 1 . . H
C11 1.0714(6) 0.6434(5) 0.1607(3) 0.117(3) Uani d . 1 . . C
H11A 1.0810 0.6685 0.1885 0.140 Uiso calc R 1 . . H
C12 1.0060(4) 0.5828(4) 0.1531(2) 0.0889(19) Uani d . 1 . . C
H12A 0.9703 0.5661 0.1759 0.107 Uiso calc R 1 . . H
O3 0.9022(2) 0.4786(2) 0.02174(12) 0.0747(11) Uani d . 1 . . O
C13 0.8675(3) 0.5166(3) 0.00932(18) 0.0645(14) Uani d . 1 . . C
C14 0.8483(3) 0.5519(3) 0.0409(2) 0.0778(16) Uani d . 1 . . C
H14A 0.8572 0.5495 0.0721 0.093 Uiso calc R 1 . . H
C15 0.8158(3) 0.5913(3) 0.0268(2) 0.0844(18) Uani d . 1 . . C
H15A 0.8016 0.6141 0.0486 0.101 Uiso calc R 1 . . H
C16 0.8046(4) 0.5968(5) -0.0184(3) 0.109(2) Uani d . 1 . . C
H16A 0.7823 0.6228 -0.0282 0.130 Uiso calc R 1 . . H
C17 0.8263(5) 0.5639(6) -0.0491(3) 0.143(4) Uani d . 1 . . C
H17A 0.8206 0.5693 -0.0804 0.172 Uiso calc R 1 . . H
C18 0.8569(4) 0.5223(5) -0.0356(2) 0.111(3) Uani d . 1 . . C
H18A 0.8698 0.4986 -0.0575 0.133 Uiso calc R 1 . . H
O4 0.9352(2) 0.3989(2) 0.05317(14) 0.0790(11) Uani d . 1 . . O
C19 0.9349(3) 0.3393(3) 0.07339(19) 0.0644(14) Uani d . 1 . . C
C20 0.9640(3) 0.3068(3) 0.0475(2) 0.0757(16) Uani d . 1 . . C
H20A 0.9834 0.3250 0.0185 0.091 Uiso calc R 1 . . H
C21 0.9643(4) 0.2463(4) 0.0650(3) 0.092(2) Uani d . 1 . . C
H21A 0.9845 0.2235 0.0479 0.111 Uiso calc R 1 . . H
C22 0.9343(4) 0.2194(4) 0.1082(3) 0.095(2) Uani d . 1 . . C
H22A 0.9334 0.1780 0.1197 0.114 Uiso calc R 1 . . H
C23 0.9067(3) 0.2530(4) 0.1332(2) 0.0838(18) Uani d . 1 . . C
H23A 0.8872 0.2350 0.1622 0.101 Uiso calc R 1 . . H
C24 0.9066(3) 0.3135(3) 0.1167(2) 0.0735(15) Uani d . 1 . . C
H24A 0.8877 0.3369 0.1344 0.088 Uiso calc R 1 . . H
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'
O O 0.0106 0.0060 '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'
Cu Cu 0.3201 1.2651 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Br Br -0.2901 2.4595 '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_site_symmetry_1
_geom_angle_site_symmetry_3
_geom_angle
_geom_angle_publ_flag
Cu2 Br1 Cu2 3_665 . 83.71(3) no
Cu2 Br1 Cu2 3_665 2_655 83.71(3) no
Cu2 Br1 Cu2 . 2_655 83.71(3) no
P1 Cu1 Br2 . 3_665 116.29(2) no
P1 Cu1 Br2 . . 116.30(2) no
Br2 Cu1 Br2 3_665 . 101.87(3) no
P1 Cu1 Br2 . 2_655 116.29(2) no
Br2 Cu1 Br2 3_665 2_655 101.87(3) no
Br2 Cu1 Br2 . 2_655 101.87(3) no
Cu2 Br2 Cu1 2_655 . 82.76(3) no
Cu2 Br2 Cu2 2_655 . 79.30(4) no
Cu1 Br2 Cu2 . . 76.89(3) no
P2 Cu2 Br2 . 3_665 127.96(5) no
P2 Cu2 Br1 . . 122.64(5) no
Br2 Cu2 Br1 3_665 . 102.15(3) no
P2 Cu2 Br2 . . 104.86(5) no
Br2 Cu2 Br2 3_665 . 96.07(3) no
Br1 Cu2 Br2 . . 94.16(3) no
O1 P1 O1 . 3_665 98.93(18) no
O1 P1 O1 . 2_655 98.93(18) no
O1 P1 O1 3_665 2_655 98.93(18) no
O1 P1 Cu1 . . 118.65(14) no
O1 P1 Cu1 3_665 . 118.65(14) no
O1 P1 Cu1 2_655 . 118.64(14) no
C1 O1 P1 . . 121.4(3) no
C2 C1 C6 . . 121.2(6) no
C2 C1 O1 . . 120.6(5) no
C6 C1 O1 . . 118.1(5) no
C1 C2 C3 . . 120.4(6) no
C2 C3 C4 . . 120.3(6) no
C3 C4 C5 . . 119.5(6) no
C4 C5 C6 . . 119.8(7) no
C1 C6 C5 . . 118.8(6) no
O2 P2 O3 . . 105.9(2) no
O2 P2 O4 . . 104.7(2) no
O3 P2 O4 . . 92.1(2) no
O2 P2 Cu2 . . 107.54(15) no
O3 P2 Cu2 . . 118.83(16) no
O4 P2 Cu2 . . 125.43(17) no
C7 O2 P2 . . 132.5(3) no
C12 C7 C8 . . 120.4(6) no
C12 C7 O2 . . 115.2(5) no
C8 C7 O2 . . 124.5(6) no
C9 C8 C7 . . 120.1(7) no
C8 C9 C10 . . 119.2(8) no
C9 C10 C11 . . 121.0(8) no
C12 C11 C10 . . 118.8(8) no
C11 C12 C7 . . 120.5(7) no
C13 O3 P2 . . 123.1(3) no
C18 C13 C14 . . 119.7(6) no
C18 C13 O3 . . 117.8(5) no
C14 C13 O3 . . 122.3(5) no
C13 C14 C15 . . 120.4(6) no
C16 C15 C14 . . 120.1(7) no
C17 C16 C15 . . 118.6(7) no
C16 C17 C18 . . 122.2(7) no
C13 C18 C17 . . 118.9(7) no
C19 O4 P2 . . 125.1(3) no
C20 C19 C24 . . 121.3(5) no
C20 C19 O4 . . 115.6(5) no
C24 C19 O4 . . 123.0(5) no
C19 C20 C21 . . 118.9(6) no
C20 C21 C22 . . 119.7(6) no
C23 C22 C21 . . 120.1(6) no
C22 C23 C24 . . 121.0(6) no
C23 C24 C19 . . 118.9(6) no
loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_site_symmetry_2
_geom_bond_distance
_geom_bond_publ_flag
Br1 Cu2 3_665 2.4904(9) yes
Br1 Cu2 . 2.4904(9) yes
Br1 Cu2 2_655 2.4903(9) yes
Cu1 P1 . 2.145(2) yes
Cu1 Br2 3_665 2.4910(7) yes
Cu1 Br2 . 2.4911(7) yes
Cu1 Br2 2_655 2.4911(7) yes
Br2 Cu2 2_655 2.4465(9) yes
Br2 Cu2 . 2.7490(10) yes
Cu2 P2 . 2.165(2) yes
Cu2 Br2 3_665 2.4465(9) yes
P1 O1 . 1.598(4) no
P1 O1 3_665 1.598(4) no
P1 O1 2_655 1.598(4) no
O1 C1 . 1.395(6) no
C1 C2 . 1.349(8) no
C1 C6 . 1.358(8) no
C2 C3 . 1.355(9) no
C3 C4 . 1.362(9) no
C4 C5 . 1.380(10) no
C5 C6 . 1.384(9) no
P2 O2 . 1.587(4) no
P2 O3 . 1.600(4) no
P2 O4 . 1.608(4) no
O2 C7 . 1.386(7) no
C7 C12 . 1.364(8) no
C7 C8 . 1.375(8) no
C8 C9 . 1.364(9) no
C9 C10 . 1.370(10) no
C10 C11 . 1.390(10) no
C11 C12 . 1.360(10) no
O3 C13 . 1.382(6) no
C13 C18 . 1.334(8) no
C13 C14 . 1.363(8) no
C14 C15 . 1.382(8) no
C15 C16 . 1.344(9) no
C16 C17 . 1.340(10) no
C17 C18 . 1.390(10) no
O4 C19 . 1.390(6) no
C19 C20 . 1.354(7) no
C19 C24 . 1.378(8) no
C20 C21 . 1.380(8) no
C21 C22 . 1.388(9) no
C22 C23 . 1.336(9) no
C23 C24 . 1.367(8) no
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_site_symmetry_1
_geom_torsion_site_symmetry_4
_geom_torsion
_geom_torsion_publ_flag
P1 Cu1 Br2 Cu2 . 2_655 -140.28(2) no
Br2 Cu1 Br2 Cu2 3_665 2_655 92.22(3) no
Br2 Cu1 Br2 Cu2 2_655 2_655 -12.79(3) no
P1 Cu1 Br2 Cu2 . . 139.070(18) no
Br2 Cu1 Br2 Cu2 3_665 . 11.57(3) no
Br2 Cu1 Br2 Cu2 2_655 . -93.43(3) no
Cu2 Br1 Cu2 P2 3_665 . 159.10(7) no
Cu2 Br1 Cu2 P2 2_655 . -116.57(8) no
Cu2 Br1 Cu2 Br2 3_665 3_665 6.83(3) no
Cu2 Br1 Cu2 Br2 2_655 3_665 91.165(15) no
Cu2 Br1 Cu2 Br2 3_665 . -90.292(14) no
Cu2 Br1 Cu2 Br2 2_655 . -5.96(3) no
Cu2 Br2 Cu2 P2 2_655 . 131.51(5) no
Cu1 Br2 Cu2 P2 . . -143.53(5) no
Cu2 Br2 Cu2 Br2 2_655 3_665 -96.56(3) no
Cu1 Br2 Cu2 Br2 . 3_665 -11.60(3) no
Cu2 Br2 Cu2 Br1 2_655 . 6.14(3) no
Cu1 Br2 Cu2 Br1 . . 91.11(3) no
Br2 Cu1 P1 O1 3_665 . 70.32(16) no
Br2 Cu1 P1 O1 . . -49.68(16) no
Br2 Cu1 P1 O1 2_655 . -169.68(16) no
Br2 Cu1 P1 O1 3_665 3_665 -49.68(16) no
Br2 Cu1 P1 O1 . 3_665 -169.68(16) no
Br2 Cu1 P1 O1 2_655 3_665 70.32(16) no
Br2 Cu1 P1 O1 3_665 2_655 -169.68(16) no
Br2 Cu1 P1 O1 . 2_655 70.32(16) no
Br2 Cu1 P1 O1 2_655 2_655 -49.68(16) no
O1 P1 O1 C1 3_665 . 81.9(5) no
O1 P1 O1 C1 2_655 . -177.6(4) no
Cu1 P1 O1 C1 . . -47.8(4) no
P1 O1 C1 C2 . . 93.1(6) no
P1 O1 C1 C6 . . -89.7(5) no
C6 C1 C2 C3 . . -2.9(9) no
O1 C1 C2 C3 . . 174.2(5) no
C1 C2 C3 C4 . . 2.5(10) no
C2 C3 C4 C5 . . -0.2(10) no
C3 C4 C5 C6 . . -1.6(10) no
C2 C1 C6 C5 . . 1.0(9) no
O1 C1 C6 C5 . . -176.1(5) no
C4 C5 C6 C1 . . 1.2(9) no
Br2 Cu2 P2 O2 3_665 . -77.90(18) no
Br1 Cu2 P2 O2 . . 137.34(16) no
Br2 Cu2 P2 O2 . . 32.32(17) no
Br2 Cu2 P2 O3 3_665 . 161.97(17) no
Br1 Cu2 P2 O3 . . 17.2(2) no
Br2 Cu2 P2 O3 . . -87.80(18) no
Br2 Cu2 P2 O4 3_665 . 45.6(2) no
Br1 Cu2 P2 O4 . . -99.1(2) no
Br2 Cu2 P2 O4 . . 155.9(2) no
O3 P2 O2 C7 . . -40.1(5) no
O4 P2 O2 C7 . . 56.5(5) no
Cu2 P2 O2 C7 . . -168.1(4) no
P2 O2 C7 C12 . . 175.6(4) no
P2 O2 C7 C8 . . -2.8(9) no
C12 C7 C8 C9 . . 1.1(10) no
O2 C7 C8 C9 . . 179.5(6) no
C7 C8 C9 C10 . . 1.0(12) no
C8 C9 C10 C11 . . -2.6(14) no
C9 C10 C11 C12 . . 2.1(14) no
C10 C11 C12 C7 . . 0.0(12) no
C8 C7 C12 C11 . . -1.6(10) no
O2 C7 C12 C11 . . 179.8(6) no
O2 P2 O3 C13 . . -80.9(5) no
O4 P2 O3 C13 . . 173.1(4) no
Cu2 P2 O3 C13 . . 40.1(5) no
P2 O3 C13 C18 . . -144.8(5) no
P2 O3 C13 C14 . . 39.4(7) no
C18 C13 C14 C15 . . 2.2(10) no
O3 C13 C14 C15 . . 177.9(5) no
C13 C14 C15 C16 . . -1.8(10) no
C14 C15 C16 C17 . . -0.6(12) no
C15 C16 C17 C18 . . 2.7(15) no
C14 C13 C18 C17 . . -0.2(12) no
O3 C13 C18 C17 . . -176.0(7) no
C16 C17 C18 C13 . . -2.3(15) no
O2 P2 O4 C19 . . 87.0(5) no
O3 P2 O4 C19 . . -166.0(4) no
Cu2 P2 O4 C19 . . -37.7(5) no
P2 O4 C19 C20 . . 158.2(4) no
P2 O4 C19 C24 . . -21.2(8) no
C24 C19 C20 C21 . . 0.7(9) no
O4 C19 C20 C21 . . -178.7(5) no
C19 C20 C21 C22 . . 0.7(10) no
C20 C21 C22 C23 . . -1.4(11) no
C21 C22 C23 C24 . . 0.8(11) no
C22 C23 C24 C19 . . 0.6(9) no
C20 C19 C24 C23 . . -1.4(9) no
O4 C19 C24 C23 . . 178.0(5) no
