#------------------------------------------------------------------------------
#$Date: 2016-03-24 03:05:36 +0200 (Thu, 24 Mar 2016) $
#$Revision: 179612 $
#$URL: svn://www.crystallography.net/cod/cif/4/50/76/4507665.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_4507665
loop_
_publ_author_name
'Jin, Feng'
'Zhang, Ying'
'Wang, Hui-Zhen'
'Zhu, Hui-Zhi'
'Yan, Yan'
'Zhang, Jun'
'Wu, Jie-Ying'
'Tian, Yu-Peng'
'Zhou, Hong-Ping'
_publ_section_title
;
 Diverse Structural Ag(I) Supramolecular Complexes Constructed from
 Multidentate Dicyanoisophorone-Based Ligands: Structures and Enhanced
 Luminescence
;
_journal_issue                   5
_journal_name_full               'Crystal Growth & Design'
_journal_page_first              1978
_journal_paper_doi               10.1021/cg400025j
_journal_volume                  13
_journal_year                    2013
_chemical_formula_sum            'C36 H34 Ag Cl N6 O4'
_chemical_formula_weight         758.01
_chemical_name_systematic
;
 ?
;
_space_group_IT_number           2
_symmetry_cell_setting           triclinic
_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_method           SHELXL-97
_cell_angle_alpha                73.986(2)
_cell_angle_beta                 81.817(2)
_cell_angle_gamma                67.748(2)
_cell_formula_units_Z            1
_cell_length_a                   7.5848(11)
_cell_length_b                   8.8251(13)
_cell_length_c                   14.844(2)
_cell_measurement_reflns_used    2718
_cell_measurement_temperature    293(2)
_cell_measurement_theta_max      24.77
_cell_measurement_theta_min      2.57
_cell_volume                     883.1(2)
_computing_cell_refinement       'Bruker SMART'
_computing_data_collection       'Bruker SMART'
_computing_data_reduction        'Bruker SAINT'
_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      293(2)
_diffrn_measured_fraction_theta_full 0.970
_diffrn_measured_fraction_theta_max 0.970
_diffrn_measurement_device_type  'CCD area detector'
_diffrn_measurement_method       'phi and 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  0.0221
_diffrn_reflns_av_sigmaI/netI    0.0325
_diffrn_reflns_limit_h_max       9
_diffrn_reflns_limit_h_min       -9
_diffrn_reflns_limit_k_max       10
_diffrn_reflns_limit_k_min       -10
_diffrn_reflns_limit_l_max       17
_diffrn_reflns_limit_l_min       -18
_diffrn_reflns_number            6708
_diffrn_reflns_theta_full        26.00
_diffrn_reflns_theta_max         26.00
_diffrn_reflns_theta_min         2.57
_exptl_absorpt_coefficient_mu    0.693
_exptl_absorpt_correction_T_max  0.8854
_exptl_absorpt_correction_T_min  0.8796
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   sadabs
_exptl_crystal_colour            yellow
_exptl_crystal_density_diffrn    1.425
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       flake
_exptl_crystal_F_000             388
_exptl_crystal_size_max          0.19
_exptl_crystal_size_mid          0.19
_exptl_crystal_size_min          0.18
_refine_diff_density_max         0.423
_refine_diff_density_min         -0.480
_refine_diff_density_rms         0.055
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.058
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     240
_refine_ls_number_reflns         3371
_refine_ls_number_restraints     85
_refine_ls_restrained_S_all      1.180
_refine_ls_R_factor_all          0.0467
_refine_ls_R_factor_gt           0.0378
_refine_ls_shift/su_max          0.051
_refine_ls_shift/su_mean         0.004
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'calc w=1/[σ²(Fo²)+(0.0619P)²+0.1046P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1024
_refine_ls_wR_factor_ref         0.1079
_reflns_number_gt                2834
_reflns_number_total             3371
_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            cg400025j_si_007.cif
_cod_data_source_block           a
_cod_depositor_comments
;
The following automatic conversions were performed:

'_symmetry_cell_setting' value 'Triclinic' changed to 'triclinic'
according to /home/saulius/struct/CIF-dictionaries/cif_core.dic
dictionary named 'cif_core.dic' version 2.4.2 from 2011-04-26.

Automatic conversion script
Id: cif_fix_values 1891 2012-01-12 08:04:46Z andrius 
;
_cod_original_sg_symbol_H-M      'P-1     '
_cod_database_code               4507665
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
Ag16 Ag 0.0000 1.0000 0.5000 0.06683(18) Uani 1 2 d S
C1 C -0.0053(5) 0.8644(5) 0.3313(2) 0.0665(9) Uani 1 1 d .
H1 H -0.0722 0.9783 0.3066 0.080 Uiso 1 1 calc R
C2 C 0.0180(6) 0.7543(6) 0.2781(2) 0.0733(11) Uani 1 1 d .
H2 H -0.0305 0.7924 0.2186 0.088 Uiso 1 1 calc R
C3 C 0.1148(6) 0.5853(6) 0.3143(3) 0.0714(10) Uani 1 1 d .
H3 H 0.1315 0.5069 0.2800 0.086 Uiso 1 1 calc R
C4 C 0.1869(5) 0.5341(5) 0.4028(2) 0.0604(8) Uani 1 1 d .
H4 H 0.2539 0.4206 0.4282 0.072 Uiso 1 1 calc R
C5 C 0.1591(4) 0.6520(4) 0.4532(2) 0.0487(7) Uani 1 1 d .
C6 C 0.2261(4) 0.6089(4) 0.5476(2) 0.0505(7) Uani 1 1 d .
H6 H 0.2015 0.6984 0.5748 0.061 Uiso 1 1 calc R
C7 C 0.3184(4) 0.4555(4) 0.5989(2) 0.0488(7) Uani 1 1 d .
H7 H 0.3478 0.3646 0.5722 0.059 Uiso 1 1 calc R
C8 C 0.3765(4) 0.4205(4) 0.6940(2) 0.0477(6) Uani 1 1 d .
C9 C 0.4830(4) 0.2609(4) 0.7370(2) 0.0504(7) Uani 1 1 d .
H9 H 0.5123 0.1755 0.7060 0.060 Uiso 1 1 calc R
C10 C 0.5519(4) 0.2198(4) 0.8291(2) 0.0525(7) Uani 1 1 d .
C11 C 0.5107(5) 0.3599(4) 0.8756(2) 0.0643(9) Uani 1 1 d .
H11A H 0.6118 0.4058 0.8582 0.077 Uiso 1 1 calc R
H11B H 0.5105 0.3149 0.9431 0.077 Uiso 1 1 calc R
C12 C 0.3194(5) 0.5025(4) 0.8498(2) 0.0612(8) Uani 1 1 d .
C13 C 0.3172(5) 0.5608(4) 0.7426(2) 0.0576(8) Uani 1 1 d .
H13A H 0.1894 0.6365 0.7249 0.069 Uiso 1 1 calc R
H13B H 0.4016 0.6242 0.7209 0.069 Uiso 1 1 calc R
C14 C 0.1562(5) 0.4389(5) 0.8890(2) 0.0703(9) Uani 1 1 d .
H14A H 0.1604 0.4023 0.9561 0.105 Uiso 1 1 calc R
H14B H 0.1686 0.3461 0.8638 0.105 Uiso 1 1 calc R
H14C H 0.0368 0.5284 0.8719 0.105 Uiso 1 1 calc R
C15 C 0.3002(7) 0.6505(5) 0.8898(3) 0.0969(15) Uani 1 1 d .
H15A H 0.1822 0.7411 0.8715 0.145 Uiso 1 1 calc R
H15B H 0.4046 0.6886 0.8660 0.145 Uiso 1 1 calc R
H15C H 0.3017 0.6147 0.9570 0.145 Uiso 1 1 calc R
C16 C 0.6583(4) 0.0579(4) 0.8724(2) 0.0602(8) Uani 1 1 d .
C17 C 0.7055(6) -0.0797(5) 0.8296(3) 0.0820(11) Uani 1 1 d .
C18 C 0.7264(5) 0.0171(5) 0.9651(3) 0.0697(10) Uani 1 1 d .
Cl1 Cl 0.5000 1.0000 0.5000 0.0905(5) Uani 1 2 d SDU
N1 N 0.0628(4) 0.8181(3) 0.41759(17) 0.0542(6) Uani 1 1 d .
N6 N 0.7801(6) -0.0167(5) 1.0376(3) 0.0944(11) Uani 1 1 d .
N7 N 0.7487(8) -0.1930(5) 0.7974(4) 0.137(2) Uani 1 1 d .
O1 O 0.5712(12) 1.1128(12) 0.4405(10) 0.183(5) Uani 0.50 1 d PDU
O2 O 0.6684(11) 0.8801(11) 0.5497(8) 0.173(4) Uani 0.50 1 d PDU
O3 O 0.4402(18) 0.9133(13) 0.4627(10) 0.188(5) Uani 0.50 1 d PDU
O4 O 0.3819(16) 1.0699(17) 0.5647(8) 0.213(5) Uani 0.50 1 d PDU
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'
Ag Ag -0.8971 1.1015 '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'
H H 0.0000 0.0000 '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'
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
N1 Ag16 N1 180.000(1) 2_576 .
N1 C1 C2 123.8(3) . .
N1 C1 H1 118.1 . .
C2 C1 H1 118.1 . .
C1 C2 C3 118.6(3) . .
C1 C2 H2 120.7 . .
C3 C2 H2 120.7 . .
C2 C3 C4 118.8(3) . .
C2 C3 H3 120.6 . .
C4 C3 H3 120.6 . .
C5 C4 C3 119.8(3) . .
C5 C4 H4 120.1 . .
C3 C4 H4 120.1 . .
N1 C5 C4 121.2(3) . .
N1 C5 C6 115.3(3) . .
C4 C5 C6 123.5(3) . .
C7 C6 C5 127.0(3) . .
C7 C6 H6 116.5 . .
C5 C6 H6 116.5 . .
C6 C7 C8 124.3(3) . .
C6 C7 H7 117.8 . .
C8 C7 H7 117.8 . .
C9 C8 C7 119.2(3) . .
C9 C8 C13 121.2(3) . .
C7 C8 C13 119.6(3) . .
C8 C9 C10 121.8(3) . .
C8 C9 H9 119.1 . .
C10 C9 H9 119.1 . .
C16 C10 C9 121.5(3) . .
C16 C10 C11 120.3(3) . .
C9 C10 C11 118.1(3) . .
C10 C11 C12 113.2(3) . .
C10 C11 H11A 108.9 . .
C12 C11 H11A 108.9 . .
C10 C11 H11B 108.9 . .
C12 C11 H11B 108.9 . .
H11A C11 H11B 107.8 . .
C14 C12 C15 109.7(3) . .
C14 C12 C13 110.7(3) . .
C15 C12 C13 109.1(3) . .
C14 C12 C11 109.9(3) . .
C15 C12 C11 109.8(3) . .
C13 C12 C11 107.7(3) . .
C8 C13 C12 114.3(2) . .
C8 C13 H13A 108.7 . .
C12 C13 H13A 108.7 . .
C8 C13 H13B 108.7 . .
C12 C13 H13B 108.7 . .
H13A C13 H13B 107.6 . .
C12 C14 H14A 109.5 . .
C12 C14 H14B 109.5 . .
H14A C14 H14B 109.5 . .
C12 C14 H14C 109.5 . .
H14A C14 H14C 109.5 . .
H14B C14 H14C 109.5 . .
C12 C15 H15A 109.5 . .
C12 C15 H15B 109.5 . .
H15A C15 H15B 109.5 . .
C12 C15 H15C 109.5 . .
H15A C15 H15C 109.5 . .
H15B C15 H15C 109.5 . .
C10 C16 C17 122.3(3) . .
C10 C16 C18 121.3(3) . .
C17 C16 C18 116.3(3) . .
N7 C17 C16 177.5(5) . .
N6 C18 C16 179.2(5) . .
O3 Cl1 O3 180.000(3) 2_676 .
O3 Cl1 O4 64.8(5) 2_676 .
O3 Cl1 O4 115.2(5) . .
O3 Cl1 O4 115.2(5) 2_676 2_676
O3 Cl1 O4 64.8(5) . 2_676
O4 Cl1 O4 180.000(4) . 2_676
O3 Cl1 O1 116.9(5) 2_676 2_676
O3 Cl1 O1 63.1(5) . 2_676
O4 Cl1 O1 69.6(5) . 2_676
O4 Cl1 O1 110.4(5) 2_676 2_676
O3 Cl1 O1 63.1(5) 2_676 .
O3 Cl1 O1 116.9(5) . .
O4 Cl1 O1 110.4(5) . .
O4 Cl1 O1 69.6(5) 2_676 .
O1 Cl1 O1 180.0(11) 2_676 .
O3 Cl1 O2 74.3(5) 2_676 .
O3 Cl1 O2 105.7(5) . .
O4 Cl1 O2 105.2(5) . .
O4 Cl1 O2 74.8(5) 2_676 .
O1 Cl1 O2 78.5(4) 2_676 .
O1 Cl1 O2 101.5(4) . .
O3 Cl1 O2 105.7(5) 2_676 2_676
O3 Cl1 O2 74.3(5) . 2_676
O4 Cl1 O2 74.8(5) . 2_676
O4 Cl1 O2 105.2(5) 2_676 2_676
O1 Cl1 O2 101.5(4) 2_676 2_676
O1 Cl1 O2 78.5(4) . 2_676
O2 Cl1 O2 180.000(2) . 2_676
C1 N1 C5 117.7(3) . .
C1 N1 Ag16 120.8(2) . .
C5 N1 Ag16 121.32(19) . .
Cl1 O1 O3 56.0(4) . 2_676
Cl1 O1 O4 54.3(3) . 2_676
O3 O1 O4 98.3(6) 2_676 2_676
Cl1 O1 O2 53.1(3) . 2_676
O3 O1 O2 86.5(5) 2_676 2_676
O4 O1 O2 83.3(5) 2_676 2_676
Cl1 O2 O3 48.4(3) . 2_676
Cl1 O2 O4 49.3(3) . 2_676
O3 O2 O4 82.6(5) 2_676 2_676
Cl1 O2 O1 48.4(3) . 2_676
O3 O2 O1 82.0(4) 2_676 2_676
O4 O2 O1 78.9(5) 2_676 2_676
Cl1 O3 O1 60.9(4) . 2_676
Cl1 O3 O4 59.0(4) . 2_676
O1 O3 O4 104.7(7) 2_676 2_676
Cl1 O3 O2 57.3(3) . 2_676
O1 O3 O2 90.8(6) 2_676 2_676
O4 O3 O2 92.0(6) 2_676 2_676
Cl1 O4 O3 56.2(3) . 2_676
Cl1 O4 O1 56.1(3) . 2_676
O3 O4 O1 100.4(6) 2_676 2_676
Cl1 O4 O2 55.9(3) . 2_676
O3 O4 O2 89.4(6) 2_676 2_676
O1 O4 O2 84.7(5) 2_676 2_676
loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_site_symmetry_2
Ag16 N1 2.154(3) 2_576
Ag16 N1 2.154(3) .
C1 N1 1.347(4) .
C1 C2 1.361(5) .
C1 H1 0.9300 .
C2 C3 1.375(6) .
C2 H2 0.9300 .
C3 C4 1.385(5) .
C3 H3 0.9300 .
C4 C5 1.379(4) .
C4 H4 0.9300 .
C5 N1 1.354(4) .
C5 C6 1.459(4) .
C6 C7 1.330(4) .
C6 H6 0.9300 .
C7 C8 1.455(4) .
C7 H7 0.9300 .
C8 C9 1.354(4) .
C8 C13 1.495(4) .
C9 C10 1.435(4) .
C9 H9 0.9300 .
C10 C16 1.369(4) .
C10 C11 1.491(5) .
C11 C12 1.532(5) .
C11 H11A 0.9700 .
C11 H11B 0.9700 .
C12 C14 1.525(5) .
C12 C15 1.530(5) .
C12 C13 1.531(4) .
C13 H13A 0.9700 .
C13 H13B 0.9700 .
C14 H14A 0.9600 .
C14 H14B 0.9600 .
C14 H14C 0.9600 .
C15 H15A 0.9600 .
C15 H15B 0.9600 .
C15 H15C 0.9600 .
C16 C17 1.428(5) .
C16 C18 1.441(5) .
C17 N7 1.142(6) .
C18 N6 1.127(6) .
Cl1 O3 1.290(6) 2_676
Cl1 O3 1.290(6) .
Cl1 O4 1.330(6) .
Cl1 O4 1.330(6) 2_676
Cl1 O1 1.360(6) 2_676
Cl1 O1 1.360(6) .
Cl1 O2 1.452(6) .
Cl1 O2 1.452(6) 2_676
O1 O3 1.387(12) 2_676
O1 O4 1.535(11) 2_676
O1 O2 1.781(11) 2_676
O2 O3 1.660(11) 2_676
O2 O4 1.693(13) 2_676
O2 O1 1.781(11) 2_676
O3 O1 1.387(12) 2_676
O3 O4 1.404(12) 2_676
O3 O2 1.660(11) 2_676
O4 O3 1.404(12) 2_676
O4 O1 1.535(11) 2_676
O4 O2 1.693(13) 2_676
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
_geom_torsion_site_symmetry_1
_geom_torsion_site_symmetry_4
N1 C1 C2 C3 0.7(6) . .
C1 C2 C3 C4 -0.8(5) . .
C2 C3 C4 C5 0.7(5) . .
C3 C4 C5 N1 -0.3(5) . .
C3 C4 C5 C6 178.5(3) . .
N1 C5 C6 C7 177.9(3) . .
C4 C5 C6 C7 -1.0(5) . .
C5 C6 C7 C8 -178.1(3) . .
C6 C7 C8 C9 -174.9(3) . .
C6 C7 C8 C13 5.4(5) . .
C7 C8 C9 C10 177.2(3) . .
C13 C8 C9 C10 -3.1(5) . .
C8 C9 C10 C16 179.5(3) . .
C8 C9 C10 C11 -2.7(5) . .
C16 C10 C11 C12 -149.4(3) . .
C9 C10 C11 C12 32.8(4) . .
C10 C11 C12 C14 66.7(4) . .
C10 C11 C12 C15 -172.6(3) . .
C10 C11 C12 C13 -53.9(4) . .
C9 C8 C13 C12 -21.6(4) . .
C7 C8 C13 C12 158.2(3) . .
C14 C12 C13 C8 -71.7(4) . .
C15 C12 C13 C8 167.5(3) . .
C11 C12 C13 C8 48.4(4) . .
C9 C10 C16 C17 -0.7(5) . .
C11 C10 C16 C17 -178.4(3) . .
C9 C10 C16 C18 -179.7(3) . .
C11 C10 C16 C18 2.6(5) . .
C10 C16 C17 N7 159(13) . .
C18 C16 C17 N7 -22(13) . .
C10 C16 C18 N6 164(35) . .
C17 C16 C18 N6 -15(36) . .
C2 C1 N1 C5 -0.4(5) . .
C2 C1 N1 Ag16 -175.4(3) . .
C4 C5 N1 C1 0.1(4) . .
C6 C5 N1 C1 -178.8(3) . .
C4 C5 N1 Ag16 175.1(2) . .
C6 C5 N1 Ag16 -3.8(3) . .
N1 Ag16 N1 C1 -35(100) 2_576 .
N1 Ag16 N1 C5 151(100) 2_576 .
O3 Cl1 O1 O3 180.000(5) . 2_676
O4 Cl1 O1 O3 45.6(7) . 2_676
O4 Cl1 O1 O3 -134.4(7) 2_676 2_676
O1 Cl1 O1 O3 -175(100) 2_676 2_676
O2 Cl1 O1 O3 -65.5(6) . 2_676
O2 Cl1 O1 O3 114.5(6) 2_676 2_676
O3 Cl1 O1 O4 134.4(7) 2_676 2_676
O3 Cl1 O1 O4 -45.6(7) . 2_676
O4 Cl1 O1 O4 180.000(5) . 2_676
O1 Cl1 O1 O4 -41(100) 2_676 2_676
O2 Cl1 O1 O4 68.8(6) . 2_676
O2 Cl1 O1 O4 -111.1(6) 2_676 2_676
O3 Cl1 O1 O2 -114.5(6) 2_676 2_676
O3 Cl1 O1 O2 65.5(6) . 2_676
O4 Cl1 O1 O2 -68.8(6) . 2_676
O4 Cl1 O1 O2 111.1(6) 2_676 2_676
O1 Cl1 O1 O2 71(100) 2_676 2_676
O2 Cl1 O1 O2 180.000(2) . 2_676
O3 Cl1 O2 O3 180.000(5) . 2_676
O4 Cl1 O2 O3 -57.6(6) . 2_676
O4 Cl1 O2 O3 122.4(6) 2_676 2_676
O1 Cl1 O2 O3 -122.5(6) 2_676 2_676
O1 Cl1 O2 O3 57.5(6) . 2_676
O2 Cl1 O2 O3 149(100) 2_676 2_676
O3 Cl1 O2 O4 -122.4(6) 2_676 2_676
O3 Cl1 O2 O4 57.6(6) . 2_676
O4 Cl1 O2 O4 180.000(4) . 2_676
O1 Cl1 O2 O4 115.1(5) 2_676 2_676
O1 Cl1 O2 O4 -64.9(5) . 2_676
O2 Cl1 O2 O4 27(100) 2_676 2_676
O3 Cl1 O2 O1 122.5(6) 2_676 2_676
O3 Cl1 O2 O1 -57.5(6) . 2_676
O4 Cl1 O2 O1 64.9(5) . 2_676
O4 Cl1 O2 O1 -115.1(5) 2_676 2_676
O1 Cl1 O2 O1 180.000(1) . 2_676
O2 Cl1 O2 O1 -88(100) 2_676 2_676
O3 Cl1 O3 O1 125(100) 2_676 2_676
O4 Cl1 O3 O1 -47.8(8) . 2_676
O4 Cl1 O3 O1 132.2(8) 2_676 2_676
O1 Cl1 O3 O1 180.000(5) . 2_676
O2 Cl1 O3 O1 67.9(6) . 2_676
O2 Cl1 O3 O1 -112.1(6) 2_676 2_676
O3 Cl1 O3 O4 -8(100) 2_676 2_676
O4 Cl1 O3 O4 180.000(2) . 2_676
O1 Cl1 O3 O4 -132.2(8) 2_676 2_676
O1 Cl1 O3 O4 47.8(8) . 2_676
O2 Cl1 O3 O4 -64.3(7) . 2_676
O2 Cl1 O3 O4 115.7(7) 2_676 2_676
O3 Cl1 O3 O2 -123(100) 2_676 2_676
O4 Cl1 O3 O2 64.3(7) . 2_676
O4 Cl1 O3 O2 -115.7(7) 2_676 2_676
O1 Cl1 O3 O2 112.1(6) 2_676 2_676
O1 Cl1 O3 O2 -67.9(6) . 2_676
O2 Cl1 O3 O2 180.000(3) . 2_676
O3 Cl1 O4 O3 180.000(1) . 2_676
O4 Cl1 O4 O3 -158(100) 2_676 2_676
O1 Cl1 O4 O3 135.2(8) 2_676 2_676
O1 Cl1 O4 O3 -44.8(8) . 2_676
O2 Cl1 O4 O3 64.0(6) . 2_676
O2 Cl1 O4 O3 -116.0(6) 2_676 2_676
O3 Cl1 O4 O1 -135.2(8) 2_676 2_676
O3 Cl1 O4 O1 44.8(8) . 2_676
O4 Cl1 O4 O1 67(100) 2_676 2_676
O1 Cl1 O4 O1 180.000(6) . 2_676
O2 Cl1 O4 O1 -71.3(5) . 2_676
O2 Cl1 O4 O1 108.7(5) 2_676 2_676
O3 Cl1 O4 O2 116.0(6) 2_676 2_676
O3 Cl1 O4 O2 -64.0(6) . 2_676
O4 Cl1 O4 O2 -42(100) 2_676 2_676
O1 Cl1 O4 O2 -108.7(5) 2_676 2_676
O1 Cl1 O4 O2 71.3(5) . 2_676
O2 Cl1 O4 O2 180.000(4) . 2_676
