#------------------------------------------------------------------------------
#$Date: 2016-01-23 04:16:02 +0200 (Sat, 23 Jan 2016) $
#$Revision: 174796 $
#$URL: svn://www.crystallography.net/cod/cif/2/24/15/2241518.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_2241518
loop_
_publ_author_name
'Frenzel, Peter'
'Korb, Marcus'
'Lang, Heinrich'
_publ_section_title
;
 Crystal structure of
 (μ-1,4-dicarboxybutane-1,4-dicarboxylato)bis[bis(triphenylphosphane)silver(I)]
 dichloromethane trisolvate
;
_journal_issue                   2
_journal_name_full               'Acta Crystallographica Section E'
_journal_page_first              215
_journal_page_last               219
_journal_paper_doi               10.1107/S2056989016000797
_journal_volume                  72
_journal_year                    2016
_chemical_formula_iupac          '[Ag2 (C8 H8 O8) (C18 H15 P)4], 3C H2 Cl2'
_chemical_formula_moiety         'C80 H68 Ag2 O8 P4, 3(C H2 Cl2)'
_chemical_formula_sum            'C83 H74 Ag2 Cl6 O8 P4'
_chemical_formula_weight         1751.74
_chemical_name_systematic
;
(μ-1,4-Dicarboxybutane-1,4-dicarboxylato)bis[bis(triphenylphosphane)silver(I)]
dichloromethane trisolvate
;
_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   geom
_atom_sites_solution_primary     direct
_atom_sites_solution_secondary   difmap
_audit_creation_method           SHELXL-2014/7
_cell_angle_alpha                112.306(3)
_cell_angle_beta                 96.080(3)
_cell_angle_gamma                103.601(3)
_cell_formula_units_Z            1
_cell_length_a                   10.0279(3)
_cell_length_b                   12.9540(4)
_cell_length_c                   16.8190(5)
_cell_measurement_reflns_used    12088
_cell_measurement_temperature    110(2)
_cell_measurement_theta_max      28.8140
_cell_measurement_theta_min      3.4170
_cell_volume                     1917.80(12)
_computing_cell_refinement
;
CrysAlis RED (Oxford Diffraction, 2006)
;
_computing_data_collection
;
CrysAlis CCD (Oxford Diffraction, 2006)
;
_computing_data_reduction
;
CrysAlis RED (Oxford Diffraction, 2006)
;
_computing_molecular_graphics
;
ORTEP-3 for Windows (Farrugia, 2012) and SHELXTL (Sheldrick,
2008)
;
_computing_publication_material
;
WinGX (Farrugia, 2012) and publCIF (Westrip, 2010)
;
_computing_structure_refinement
;
SHELXL2014 (Sheldrick, 2015)
;
_computing_structure_solution    'SHELXS2013 (Sheldrick, 200)'
_diffrn_ambient_temperature      110(2)
_diffrn_measured_fraction_theta_full 0.998
_diffrn_measured_fraction_theta_max 0.860
_diffrn_measurement_device_type  'Oxford Gemini S'
_diffrn_measurement_method       'ω scans'
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_reflns_av_R_equivalents  0.0242
_diffrn_reflns_limit_h_max       12
_diffrn_reflns_limit_h_min       -13
_diffrn_reflns_limit_k_max       17
_diffrn_reflns_limit_k_min       -17
_diffrn_reflns_limit_l_max       20
_diffrn_reflns_limit_l_min       -22
_diffrn_reflns_number            21441
_diffrn_reflns_theta_full        25.242
_diffrn_reflns_theta_max         28.903
_diffrn_reflns_theta_min         2.931
_diffrn_standards_decay_%        0
_diffrn_standards_interval_count 50
_diffrn_standards_interval_time  10
_diffrn_standards_number         2
_exptl_absorpt_coefficient_mu    0.860
_exptl_absorpt_correction_T_max  1.00000
_exptl_absorpt_correction_T_min  0.88867
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details
;
(CrysAlis
RED; Oxford Diffraction,
2006)
;
_exptl_crystal_colour            colorless
_exptl_crystal_density_diffrn    1.517
_exptl_crystal_description       block
_exptl_crystal_F_000             892
_exptl_crystal_size_max          0.3
_exptl_crystal_size_mid          0.3
_exptl_crystal_size_min          0.2
_refine_diff_density_max         2.280
_refine_diff_density_min         -0.614
_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     507
_refine_ls_number_reflns         8700
_refine_ls_number_restraints     27
_refine_ls_restrained_S_all      1.059
_refine_ls_R_factor_all          0.0381
_refine_ls_R_factor_gt           0.0338
_refine_ls_shift/su_max          0.001
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'w=1/[σ²(Fo²)+(0.0320P)²+2.6912P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0803
_refine_ls_wR_factor_ref         0.0827
_reflns_number_gt                7959
_reflns_number_total             8700
_reflns_threshold_expression     'I > 2σ(I)'
_cod_data_source_file            zl2653sup1.cif
_cod_data_source_block           I
_cod_original_cell_volume        1917.80(11)
_cod_database_code               2241518
_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.
;
loop_
_space_group_symop_operation_xyz
'x, y, z'
'-x, -y, -z'
loop_
_atom_site_type_symbol
_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_occupancy
_atom_site_disorder_assembly
_atom_site_disorder_group
C C1 0.1098(3) 0.4419(2) 0.82508(15) 0.0190(5) Uani d 1 . .
C C2 0.0325(2) 0.5106(2) 0.88968(15) 0.0174(4) Uani d 1 . .
H H2 -0.0699 0.4812 0.8615 0.021 Uiso calc 1 . .
C C3 0.0822(3) 0.6429(2) 0.91901(16) 0.0247(5) Uani d 1 . .
C C4 0.0521(3) 0.4833(2) 0.97147(15) 0.0189(5) Uani d 1 . .
H H4A 0.0402 0.3987 0.9518 0.023 Uiso calc 1 . .
H H4B 0.1489 0.5265 1.0070 0.023 Uiso calc 1 . .
C C5 0.2398(2) -0.00432(19) 0.61984(14) 0.0158(4) Uani d 1 . .
C C6 0.1010(3) -0.0530(2) 0.57113(16) 0.0204(5) Uani d 1 . .
H H6 0.0276 -0.0297 0.5975 0.024 Uiso calc 1 . .
C C7 0.0703(3) -0.1351(2) 0.48448(16) 0.0232(5) Uani d 1 . .
H H7 -0.0241 -0.1678 0.4518 0.028 Uiso calc 1 . .
C C8 0.1774(3) -0.1698(2) 0.44511(16) 0.0243(5) Uani d 1 . .
H H8 0.1562 -0.2258 0.3857 0.029 Uiso calc 1 . .
C C9 0.3145(3) -0.1225(2) 0.49301(16) 0.0231(5) Uani d 1 . .
H H9 0.3875 -0.1461 0.4663 0.028 Uiso calc 1 . .
C C10 0.3465(3) -0.0403(2) 0.58043(16) 0.0193(5) Uani d 1 . .
H H10 0.4409 -0.0088 0.6131 0.023 Uiso calc 1 . .
C C11 0.4578(2) 0.1469(2) 0.77394(15) 0.0173(4) Uani d 1 . .
C C12 0.5538(3) 0.2188(2) 0.74783(17) 0.0230(5) Uani d 1 . .
H H12 0.5203 0.2509 0.7103 0.028 Uiso calc 1 . .
C C13 0.6972(3) 0.2435(2) 0.77632(17) 0.0256(5) Uani d 1 . .
H H13 0.7616 0.2911 0.7575 0.031 Uiso calc 1 . .
C C14 0.7467(3) 0.1989(2) 0.83205(18) 0.0280(6) Uani d 1 . .
H H14 0.8450 0.2153 0.8512 0.034 Uiso calc 1 . .
C C15 0.6527(3) 0.1299(3) 0.86010(19) 0.0314(6) Uani d 1 . .
H H15 0.6869 0.1010 0.8997 0.038 Uiso calc 1 . .
C C16 0.5089(3) 0.1029(2) 0.83059(17) 0.0251(5) Uani d 1 . .
H H16 0.4451 0.0544 0.8491 0.030 Uiso calc 1 . .
C C17 0.1720(2) 0.0459(2) 0.78922(15) 0.0172(4) Uani d 1 . .
C C18 0.1697(3) -0.0662(2) 0.78067(16) 0.0222(5) Uani d 1 . .
H H18 0.2230 -0.1071 0.7440 0.027 Uiso calc 1 . .
C C19 0.0898(3) -0.1177(2) 0.82571(17) 0.0269(5) Uani d 1 . .
H H19 0.0880 -0.1940 0.8196 0.032 Uiso calc 1 . .
C C20 0.0124(3) -0.0581(2) 0.87957(17) 0.0266(5) Uani d 1 . .
H H20 -0.0423 -0.0938 0.9103 0.032 Uiso calc 1 . .
C C21 0.0144(3) 0.0534(2) 0.88891(17) 0.0256(5) Uani d 1 . .
H H21 -0.0382 0.0942 0.9263 0.031 Uiso calc 1 . .
C C22 0.0939(3) 0.1055(2) 0.84336(16) 0.0215(5) Uani d 1 . .
H H22 0.0948 0.1816 0.8493 0.026 Uiso calc 1 . .
C C23 0.2912(2) 0.2770(2) 0.50087(15) 0.0162(4) Uani d 1 . .
C C24 0.2945(3) 0.1622(2) 0.47850(16) 0.0207(5) Uani d 1 . .
H H24 0.3061 0.1354 0.5234 0.025 Uiso calc 1 . .
C C25 0.2812(3) 0.0869(2) 0.39126(17) 0.0239(5) Uani d 1 . .
H H25 0.2846 0.0094 0.3768 0.029 Uiso calc 1 . .
C C26 0.2629(3) 0.1250(2) 0.32544(17) 0.0259(5) Uani d 1 . .
H H26 0.2542 0.0739 0.2658 0.031 Uiso calc 1 . .
C C27 0.2574(3) 0.2385(2) 0.34706(17) 0.0276(6) Uani d 1 . .
H H27 0.2436 0.2644 0.3019 0.033 Uiso calc 1 . .
C C28 0.2719(3) 0.3141(2) 0.43393(16) 0.0220(5) Uani d 1 . .
H H28 0.2686 0.3917 0.4480 0.026 Uiso calc 1 . .
C C29 0.5028(2) 0.4324(2) 0.65811(15) 0.0175(4) Uani d 1 . .
C C30 0.5974(3) 0.4021(2) 0.60549(16) 0.0212(5) Uani d 1 . .
H H30 0.5636 0.3484 0.5454 0.025 Uiso calc 1 . .
C C31 0.7417(3) 0.4499(2) 0.64032(18) 0.0245(5) Uani d 1 . .
H H31 0.8060 0.4283 0.6041 0.029 Uiso calc 1 . .
C C32 0.7910(3) 0.5285(2) 0.72730(18) 0.0269(5) Uani d 1 . .
H H32 0.8893 0.5623 0.7507 0.032 Uiso calc 1 . .
C C33 0.6974(3) 0.5585(2) 0.78088(17) 0.0285(6) Uani d 1 . .
H H33 0.7319 0.6123 0.8409 0.034 Uiso calc 1 . .
C C34 0.5535(3) 0.5101(2) 0.74688(16) 0.0240(5) Uani d 1 . .
H H34 0.4896 0.5297 0.7838 0.029 Uiso calc 1 . .
C C35 0.2611(2) 0.4971(2) 0.61527(14) 0.0171(4) Uani d 1 . .
C C36 0.1241(3) 0.4982(2) 0.61812(18) 0.0252(5) Uani d 1 . .
H H36 0.0602 0.4370 0.6253 0.030 Uiso calc 1 . .
C C37 0.0796(3) 0.5889(2) 0.6105(2) 0.0303(6) Uani d 1 . .
H H37 -0.0151 0.5885 0.6114 0.036 Uiso calc 1 . .
C C38 0.1724(3) 0.6791(2) 0.60168(16) 0.0253(5) Uani d 1 . .
H H38 0.1413 0.7401 0.5955 0.030 Uiso calc 1 . .
C C39 0.3101(3) 0.6805(2) 0.60184(17) 0.0248(5) Uani d 1 . .
H H39 0.3749 0.7438 0.5977 0.030 Uiso calc 1 . .
C C40 0.3546(3) 0.5896(2) 0.60809(17) 0.0223(5) Uani d 1 . .
H H40 0.4495 0.5906 0.6075 0.027 Uiso calc 1 . .
P P1 0.27220(6) 0.11490(5) 0.72910(4) 0.01518(12) Uani d 1 . .
P P2 0.31285(6) 0.37213(5) 0.61693(4) 0.01519(12) Uani d 1 . .
Ag Ag1 0.22109(2) 0.27730(2) 0.70903(2) 0.01622(6) Uani d 1 . .
O O1 0.04100(19) 0.34138(15) 0.76927(11) 0.0239(4) Uani d 1 . .
O O2 0.23936(19) 0.48772(17) 0.83418(12) 0.0301(4) Uani d 1 . .
O O3 0.2146(2) 0.68777(18) 0.91847(15) 0.0409(5) Uani d 1 . .
H H3 0.2542 0.6350 0.9052 0.061 Uiso calc 1 . .
O O4 0.0070(2) 0.70357(16) 0.94320(13) 0.0333(4) Uani d 1 . .
C C1S 0.4951(4) 0.1726(4) 0.0721(3) 0.0525(11) Uani d 0.928(2) A 1
H H1S1 0.5689 0.1417 0.0457 0.063 Uiso calc 0.928(2) A 1
H H1S2 0.4983 0.2447 0.0638 0.063 Uiso calc 0.928(2) A 1
Cl Cl1 0.33022(9) 0.06889(12) 0.01685(7) 0.0647(4) Uani d 0.928(2) A 1
Cl Cl2 0.53101(12) 0.20717(8) 0.18454(6) 0.0474(3) Uani d 0.928(2) A 1
C C1SB 0.525(5) 0.125(3) 0.069(3) 0.069(7) Uani d 0.072(2) A -2
H H1S3 0.6161 0.1301 0.1016 0.083 Uiso calc 0.072(2) A -2
H H1S4 0.5460 0.1770 0.0381 0.083 Uiso calc 0.072(2) A -2
Cl Cl1B 0.451(2) -0.0184(18) -0.0110(13) 0.088(6) Uani d 0.072(2) A -2
Cl Cl2B 0.429(3) 0.183(2) 0.1455(16) 0.112(7) Uani d 0.072(2) A -2
C C2S 0.5061(9) 0.4570(8) -0.0394(6) 0.060(2) Uani d 0.5 B -1
H H2S1 0.4788 0.4427 -0.1019 0.072 Uiso calc 0.5 B -1
H H2S2 0.5940 0.4361 -0.0319 0.072 Uiso calc 0.5 B -1
Cl Cl3 0.3762(2) 0.3690(2) -0.01470(16) 0.0548(5) Uani d 0.5 B -1
Cl Cl4 0.5373(5) 0.6054(2) 0.0271(3) 0.1237(17) Uani d 0.5 B -1
loop_
_atom_type_symbol
_atom_type_description
_atom_type_scat_dispersion_real
_atom_type_scat_dispersion_imag
_atom_type_scat_source
C C 0.0033 0.0016 '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'
Ag Ag -0.8971 1.1015 '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'
H H 0.0000 0.0000 '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
O1 C1 O2 . 124.4(2)
O1 C1 C2 . 117.4(2)
O2 C1 C2 . 118.1(2)
C3 C2 C1 . 115.15(19)
C3 C2 C4 . 109.22(19)
C1 C2 C4 . 106.96(18)
C3 C2 H2 . 108.4
C1 C2 H2 . 108.4
C4 C2 H2 . 108.4
O4 C3 O3 . 121.6(2)
O4 C3 C2 . 122.5(2)
O3 C3 C2 . 115.8(2)
C4 C4 C2 2_567 112.2(2)
C4 C4 H4A 2_567 109.2
C2 C4 H4A . 109.2
C4 C4 H4B 2_567 109.2
C2 C4 H4B . 109.2
H4A C4 H4B . 107.9
C10 C5 C6 . 119.2(2)
C10 C5 P1 . 123.58(18)
C6 C5 P1 . 116.88(17)
C7 C6 C5 . 120.2(2)
C7 C6 H6 . 119.9
C5 C6 H6 . 119.9
C6 C7 C8 . 120.3(2)
C6 C7 H7 . 119.8
C8 C7 H7 . 119.8
C9 C8 C7 . 119.7(2)
C9 C8 H8 . 120.2
C7 C8 H8 . 120.2
C8 C9 C10 . 120.5(2)
C8 C9 H9 . 119.8
C10 C9 H9 . 119.8
C9 C10 C5 . 120.0(2)
C9 C10 H10 . 120.0
C5 C10 H10 . 120.0
C16 C11 C12 . 118.9(2)
C16 C11 P1 . 124.05(18)
C12 C11 P1 . 117.01(18)
C13 C12 C11 . 120.5(2)
C13 C12 H12 . 119.8
C11 C12 H12 . 119.8
C14 C13 C12 . 120.1(2)
C14 C13 H13 . 119.9
C12 C13 H13 . 119.9
C13 C14 C15 . 119.9(2)
C13 C14 H14 . 120.0
C15 C14 H14 . 120.0
C14 C15 C16 . 120.4(2)
C14 C15 H15 . 119.8
C16 C15 H15 . 119.8
C15 C16 C11 . 120.2(2)
C15 C16 H16 . 119.9
C11 C16 H16 . 119.9
C22 C17 C18 . 119.6(2)
C22 C17 P1 . 119.02(17)
C18 C17 P1 . 121.32(18)
C19 C18 C17 . 120.1(2)
C19 C18 H18 . 120.0
C17 C18 H18 . 120.0
C20 C19 C18 . 120.1(2)
C20 C19 H19 . 120.0
C18 C19 H19 . 120.0
C19 C20 C21 . 120.3(2)
C19 C20 H20 . 119.8
C21 C20 H20 . 119.8
C20 C21 C22 . 119.9(2)
C20 C21 H21 . 120.0
C22 C21 H21 . 120.0
C17 C22 C21 . 119.9(2)
C17 C22 H22 . 120.0
C21 C22 H22 . 120.0
C28 C23 C24 . 118.8(2)
C28 C23 P2 . 122.78(18)
C24 C23 P2 . 118.41(17)
C25 C24 C23 . 120.7(2)
C25 C24 H24 . 119.7
C23 C24 H24 . 119.7
C26 C25 C24 . 120.0(2)
C26 C25 H25 . 120.0
C24 C25 H25 . 120.0
C25 C26 C27 . 119.7(2)
C25 C26 H26 . 120.2
C27 C26 H26 . 120.2
C28 C27 C26 . 120.5(2)
C28 C27 H27 . 119.7
C26 C27 H27 . 119.7
C27 C28 C23 . 120.3(2)
C27 C28 H28 . 119.8
C23 C28 H28 . 119.8
C30 C29 C34 . 119.4(2)
C30 C29 P2 . 122.57(19)
C34 C29 P2 . 118.00(18)
C29 C30 C31 . 120.4(2)
C29 C30 H30 . 119.8
C31 C30 H30 . 119.8
C32 C31 C30 . 119.9(2)
C32 C31 H31 . 120.0
C30 C31 H31 . 120.0
C31 C32 C33 . 120.2(2)
C31 C32 H32 . 119.9
C33 C32 H32 . 119.9
C32 C33 C34 . 120.1(2)
C32 C33 H33 . 119.9
C34 C33 H33 . 119.9
C33 C34 C29 . 119.9(2)
C33 C34 H34 . 120.0
C29 C34 H34 . 120.0
C36 C35 C40 . 119.1(2)
C36 C35 P2 . 119.20(18)
C40 C35 P2 . 121.65(18)
C35 C36 C37 . 120.1(2)
C35 C36 H36 . 119.9
C37 C36 H36 . 119.9
C38 C37 C36 . 120.3(2)
C38 C37 H37 . 119.8
C36 C37 H37 . 119.8
C39 C38 C37 . 119.8(2)
C39 C38 H38 . 120.1
C37 C38 H38 . 120.1
C38 C39 C40 . 120.2(2)
C38 C39 H39 . 119.9
C40 C39 H39 . 119.9
C39 C40 C35 . 120.4(2)
C39 C40 H40 . 119.8
C35 C40 H40 . 119.8
C11 P1 C17 . 107.82(11)
C11 P1 C5 . 103.98(11)
C17 P1 C5 . 103.48(10)
C11 P1 Ag1 . 112.08(8)
C17 P1 Ag1 . 120.40(8)
C5 P1 Ag1 . 107.53(7)
C35 P2 C29 . 102.98(11)
C35 P2 C23 . 104.23(10)
C29 P2 C23 . 104.33(11)
C35 P2 Ag1 . 120.17(7)
C29 P2 Ag1 . 106.98(7)
C23 P2 Ag1 . 116.33(7)
O1 Ag1 P1 . 117.69(5)
O1 Ag1 P2 . 113.27(5)
P1 Ag1 P2 . 128.56(2)
C1 O1 Ag1 . 100.12(14)
C3 O3 H3 . 109.5
Cl2 C1S Cl1 . 112.6(2)
Cl2 C1S H1S1 . 109.1
Cl1 C1S H1S1 . 109.1
Cl2 C1S H1S2 . 109.1
Cl1 C1S H1S2 . 109.1
H1S1 C1S H1S2 . 107.8
Cl2B C1SB Cl1B . 118(2)
Cl2B C1SB H1S3 . 107.8
Cl1B C1SB H1S3 . 107.8
Cl2B C1SB H1S4 . 107.8
Cl1B C1SB H1S4 . 107.8
H1S3 C1SB H1S4 . 107.1
Cl3 C2S Cl4 . 112.3(5)
Cl3 C2S H2S1 . 109.1
Cl4 C2S H2S1 . 109.1
Cl3 C2S H2S2 . 109.1
Cl4 C2S H2S2 . 109.1
H2S1 C2S H2S2 . 107.9
loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_site_symmetry_2
_geom_bond_distance
C1 O1 . 1.251(3)
C1 O2 . 1.261(3)
C1 C2 . 1.531(3)
C2 C3 . 1.527(3)
C2 C4 . 1.550(3)
C2 H2 . 1.0000
C3 O4 . 1.205(3)
C3 O3 . 1.321(3)
C4 C4 2_567 1.520(4)
C4 H4A . 0.9900
C4 H4B . 0.9900
C5 C10 . 1.397(3)
C5 C6 . 1.400(3)
C5 P1 . 1.831(2)
C6 C7 . 1.387(3)
C6 H6 . 0.9500
C7 C8 . 1.395(4)
C7 H7 . 0.9500
C8 C9 . 1.382(4)
C8 H8 . 0.9500
C9 C10 . 1.396(3)
C9 H9 . 0.9500
C10 H10 . 0.9500
C11 C16 . 1.393(3)
C11 C12 . 1.402(3)
C11 P1 . 1.819(2)
C12 C13 . 1.386(4)
C12 H12 . 0.9500
C13 C14 . 1.381(4)
C13 H13 . 0.9500
C14 C15 . 1.389(4)
C14 H14 . 0.9500
C15 C16 . 1.389(4)
C15 H15 . 0.9500
C16 H16 . 0.9500
C17 C22 . 1.393(3)
C17 C18 . 1.398(3)
C17 P1 . 1.819(2)
C18 C19 . 1.387(3)
C18 H18 . 0.9500
C19 C20 . 1.385(4)
C19 H19 . 0.9500
C20 C21 . 1.387(4)
C20 H20 . 0.9500
C21 C22 . 1.395(3)
C21 H21 . 0.9500
C22 H22 . 0.9500
C23 C28 . 1.395(3)
C23 C24 . 1.398(3)
C23 P2 . 1.826(2)
C24 C25 . 1.390(3)
C24 H24 . 0.9500
C25 C26 . 1.385(4)
C25 H25 . 0.9500
C26 C27 . 1.390(4)
C26 H26 . 0.9500
C27 C28 . 1.385(4)
C27 H27 . 0.9500
C28 H28 . 0.9500
C29 C30 . 1.388(3)
C29 C34 . 1.399(3)
C29 P2 . 1.825(2)
C30 C31 . 1.395(3)
C30 H30 . 0.9500
C31 C32 . 1.379(4)
C31 H31 . 0.9500
C32 C33 . 1.389(4)
C32 H32 . 0.9500
C33 C34 . 1.389(4)
C33 H33 . 0.9500
C34 H34 . 0.9500
C35 C36 . 1.384(3)
C35 C40 . 1.391(3)
C35 P2 . 1.821(2)
C36 C37 . 1.394(4)
C36 H36 . 0.9500
C37 C38 . 1.380(4)
C37 H37 . 0.9500
C38 C39 . 1.376(4)
C38 H38 . 0.9500
C39 C40 . 1.389(3)
C39 H39 . 0.9500
C40 H40 . 0.9500
P1 Ag1 . 2.4109(6)
P2 Ag1 . 2.4433(6)
Ag1 O1 . 2.3305(17)
O3 H3 . 0.8400
C1S Cl2 . 1.744(4)
C1S Cl1 . 1.756(4)
C1S H1S1 . 0.9900
C1S H1S2 . 0.9900
C1SB Cl2B . 1.73(2)
C1SB Cl1B . 1.75(2)
C1SB H1S3 . 0.9900
C1SB H1S4 . 0.9900
C2S Cl3 . 1.716(8)
C2S Cl4 . 1.748(10)
C2S H2S1 . 0.9900
C2S H2S2 . 0.9900
loop_
_geom_hbond_atom_site_label_D
_geom_hbond_atom_site_label_H
_geom_hbond_atom_site_label_A
_geom_hbond_site_symmetry_A
_geom_hbond_distance_DH
_geom_hbond_distance_HA
_geom_hbond_distance_DA
_geom_hbond_angle_DHA
O3 H3 O2 . 0.84 1.79 2.525(3) 145.8
C1S H1S1 O3 2_666 0.99 2.53 2.997(4) 108.4
C1SB H1S4 O3 2_666 0.99 2.46 3.04(4) 117.0
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_4
_geom_torsion
O1 C1 C2 C3 . -147.4(2)
O2 C1 C2 C3 . 35.8(3)
O1 C1 C2 C4 . 91.0(2)
O2 C1 C2 C4 . -85.7(3)
C1 C2 C3 O4 . 153.9(2)
C4 C2 C3 O4 . -85.8(3)
C1 C2 C3 O3 . -27.7(3)
C4 C2 C3 O3 . 92.6(2)
C3 C2 C4 C4 2_567 71.3(3)
C1 C2 C4 C4 2_567 -163.5(2)
C10 C5 C6 C7 . -0.6(3)
P1 C5 C6 C7 . 173.30(18)
C5 C6 C7 C8 . 0.0(4)
C6 C7 C8 C9 . 0.3(4)
C7 C8 C9 C10 . 0.0(4)
C8 C9 C10 C5 . -0.7(3)
C6 C5 C10 C9 . 1.0(3)
P1 C5 C10 C9 . -172.51(18)
C16 C11 C12 C13 . 1.5(4)
P1 C11 C12 C13 . -177.4(2)
C11 C12 C13 C14 . -1.1(4)
C12 C13 C14 C15 . -0.5(4)
C13 C14 C15 C16 . 1.7(4)
C14 C15 C16 C11 . -1.3(4)
C12 C11 C16 C15 . -0.3(4)
P1 C11 C16 C15 . 178.5(2)
C22 C17 C18 C19 . 0.2(4)
P1 C17 C18 C19 . -178.5(2)
C17 C18 C19 C20 . -0.3(4)
C18 C19 C20 C21 . -0.1(4)
C19 C20 C21 C22 . 0.5(4)
C18 C17 C22 C21 . 0.2(4)
P1 C17 C22 C21 . 178.93(19)
C20 C21 C22 C17 . -0.5(4)
C28 C23 C24 C25 . 1.0(4)
P2 C23 C24 C25 . -178.78(19)
C23 C24 C25 C26 . -0.6(4)
C24 C25 C26 C27 . -0.3(4)
C25 C26 C27 C28 . 0.9(4)
C26 C27 C28 C23 . -0.5(4)
C24 C23 C28 C27 . -0.5(4)
P2 C23 C28 C27 . 179.3(2)
C34 C29 C30 C31 . -1.0(3)
P2 C29 C30 C31 . -179.43(18)
C29 C30 C31 C32 . -0.5(4)
C30 C31 C32 C33 . 1.3(4)
C31 C32 C33 C34 . -0.5(4)
C32 C33 C34 C29 . -1.1(4)
C30 C29 C34 C33 . 1.8(4)
P2 C29 C34 C33 . -179.70(19)
C40 C35 C36 C37 . 2.4(4)
P2 C35 C36 C37 . -175.4(2)
C35 C36 C37 C38 . -1.2(4)
C36 C37 C38 C39 . -1.1(4)
C37 C38 C39 C40 . 2.0(4)
C38 C39 C40 C35 . -0.8(4)
C36 C35 C40 C39 . -1.5(4)
P2 C35 C40 C39 . 176.25(19)
C16 C11 P1 C17 . 12.2(2)
C12 C11 P1 C17 . -168.95(18)
C16 C11 P1 C5 . -97.2(2)
C12 C11 P1 C5 . 81.6(2)
C16 C11 P1 Ag1 . 146.97(19)
C12 C11 P1 Ag1 . -34.2(2)
C22 C17 P1 C11 . 112.8(2)
C18 C17 P1 C11 . -68.5(2)
C22 C17 P1 C5 . -137.45(19)
C18 C17 P1 C5 . 41.2(2)
C22 C17 P1 Ag1 . -17.5(2)
C18 C17 P1 Ag1 . 161.23(17)
C10 C5 P1 C11 . -10.3(2)
C6 C5 P1 C11 . 176.06(17)
C10 C5 P1 C17 . -122.87(19)
C6 C5 P1 C17 . 63.48(19)
C10 C5 P1 Ag1 . 108.71(18)
C6 C5 P1 Ag1 . -64.94(18)
C36 C35 P2 C29 . -157.1(2)
C40 C35 P2 C29 . 25.2(2)
C36 C35 P2 C23 . 94.2(2)
C40 C35 P2 C23 . -83.5(2)
C36 C35 P2 Ag1 . -38.4(2)
C40 C35 P2 Ag1 . 143.93(17)
C30 C29 P2 C35 . -110.1(2)
C34 C29 P2 C35 . 71.4(2)
C30 C29 P2 C23 . -1.5(2)
C34 C29 P2 C23 . -179.95(18)
C30 C29 P2 Ag1 . 122.33(18)
C34 C29 P2 Ag1 . -56.13(19)
C28 C23 P2 C35 . 13.2(2)
C24 C23 P2 C35 . -167.02(19)
C28 C23 P2 C29 . -94.5(2)
C24 C23 P2 C29 . 85.3(2)
C28 C23 P2 Ag1 . 147.93(18)
C24 C23 P2 Ag1 . -32.3(2)
O2 C1 O1 Ag1 . 4.6(3)
C2 C1 O1 Ag1 . -171.92(16)

_cod_database_fobs_code 2241518
