#------------------------------------------------------------------------------
#$Date: 2016-02-20 22:30:07 +0200 (Sat, 20 Feb 2016) $
#$Revision: 176789 $
#$URL: svn://www.crystallography.net/cod/cif/2/22/08/2220838.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_2220838
loop_
_publ_author_name
'Steyl, Gideon'
'Hill, Tania N.'
_publ_section_title
;Bis(triphenylphosphine-κP)(tropolonato-κ²O,O')silver(I)
 dichloromethane solvate
;
_journal_coeditor_code           HY2179
_journal_issue                   2
_journal_name_full               'Acta Crystallographica Section E'
_journal_page_first              m233
_journal_paper_doi               10.1107/S1600536809002785
_journal_volume                  65
_journal_year                    2009
_chemical_formula_iupac          '[Ag (C7 H5 O2) (C18 H15 P)2], C H2 Cl2'
_chemical_formula_moiety         'C43 H35 Ag O2 P2, C H2 Cl2'
_chemical_formula_sum            'C44 H37 Ag Cl2 O2 P2'
_chemical_formula_weight         838.45
_chemical_name_systematic
;Bis(triphenylphosphine-κP)(tropolonato-κ²O,O')silver(I)
dichloromethane
 solvate
;
_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                100.487(2)
_cell_angle_beta                 93.760(2)
_cell_angle_gamma                116.8090(10)
_cell_formula_units_Z            2
_cell_length_a                   12.0175(3)
_cell_length_b                   12.9925(4)
_cell_length_c                   13.8394(7)
_cell_measurement_reflns_used    9106
_cell_measurement_temperature    100(2)
_cell_measurement_theta_max      28.29
_cell_measurement_theta_min      2.34
_cell_volume                     1869.34(12)
_computing_cell_refinement       'SAINT-Plus (Bruker, 2007)'
_computing_data_collection       'APEX2 (Bruker, 2007)'
_computing_data_reduction        'SAINT-Plus (Bruker, 2007)'
_computing_molecular_graphics    'DIAMOND (Brandenburg & Putz, 1999)'
_computing_publication_material  'SHELXL97 (Sheldrick, 2008)'
_computing_structure_refinement  'SHELXL97 (Sheldrick, 2008)'
_computing_structure_solution    'SHELXS97 (Sheldrick, 2008)'
_diffrn_ambient_temperature      100(2)
_diffrn_measured_fraction_theta_full 0.999
_diffrn_measured_fraction_theta_max 0.999
_diffrn_measurement_device_type  'Bruker APEXII CCD'
_diffrn_measurement_method       'φ and ω'
_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  0.0460
_diffrn_reflns_av_sigmaI/netI    0.0448
_diffrn_reflns_limit_h_max       15
_diffrn_reflns_limit_h_min       -13
_diffrn_reflns_limit_k_max       16
_diffrn_reflns_limit_k_min       -16
_diffrn_reflns_limit_l_max       17
_diffrn_reflns_limit_l_min       -17
_diffrn_reflns_number            33544
_diffrn_reflns_theta_full        27.00
_diffrn_reflns_theta_max         27.00
_diffrn_reflns_theta_min         1.81
_exptl_absorpt_coefficient_mu    0.806
_exptl_absorpt_correction_T_max  0.9384
_exptl_absorpt_correction_T_min  0.8620
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   '(SADABS; Bruker, 2001)'
_exptl_crystal_colour            yellow
_exptl_crystal_density_diffrn    1.490
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       cuboid
_exptl_crystal_F_000             856
_exptl_crystal_size_max          0.19
_exptl_crystal_size_mid          0.11
_exptl_crystal_size_min          0.08
_refine_diff_density_max         0.509
_refine_diff_density_min         -0.411
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.052
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     460
_refine_ls_number_reflns         8178
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      1.052
_refine_ls_R_factor_all          0.0399
_refine_ls_R_factor_gt           0.0300
_refine_ls_shift/su_max          0.002
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'calc w=1/[σ²(Fo²)+(0.0283P)²+0.6452P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0652
_refine_ls_wR_factor_ref         0.0701
_reflns_number_gt                6931
_reflns_number_total             8178
_reflns_threshold_expression     I>2σ(I)
_cod_data_source_file            hy2179.cif
_cod_data_source_block           I
_cod_original_cell_volume        1869.33(12)
_cod_database_code               2220838
_cod_database_fobs_code          2220838
loop_
_symmetry_equiv_pos_as_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_refinement_flags
_atom_site_occupancy
_atom_site_disorder_assembly
_atom_site_disorder_group
Ag Ag 0.743570(16) 0.720243(14) 0.744274(12) 0.01303(5) Uani d . 1 . .
P P2 0.86325(5) 0.62927(5) 0.65456(4) 0.01241(12) Uani d . 1 . .
P P1 0.71316(5) 0.87540(5) 0.69503(4) 0.01207(12) Uani d . 1 . .
O O1 0.79674(15) 0.70564(14) 0.90673(11) 0.0184(4) Uani d . 1 . .
C C236 0.6628(2) 0.49295(19) 0.49875(17) 0.0156(5) Uani d . 1 . .
H H236 0.6130 0.4770 0.5501 0.019 Uiso calc R 1 . .
O O2 0.57859(15) 0.56103(15) 0.78664(12) 0.0223(4) Uani d . 1 . .
C C115 1.0246(2) 1.1352(2) 0.61838(19) 0.0231(6) Uani d . 1 . .
H H115 1.0505 1.1622 0.5603 0.028 Uiso calc R 1 . .
C C211 0.8758(2) 0.50995(19) 0.69797(16) 0.0132(5) Uani d . 1 . .
C C131 0.6271(2) 0.93724(19) 0.76747(16) 0.0134(5) Uani d . 1 . .
C C116 0.9035(2) 1.0442(2) 0.61294(17) 0.0174(5) Uani d . 1 . .
H H116 0.8465 1.0099 0.5514 0.021 Uiso calc R 1 . .
C C111 0.8651(2) 1.00316(19) 0.69726(16) 0.0131(5) Uani d . 1 . .
C C132 0.6443(2) 1.0510(2) 0.77170(16) 0.0160(5) Uani d . 1 . .
H H132 0.7057 1.1010 0.7383 0.019 Uiso calc R 1 . .
C C231 0.7939(2) 0.56327(18) 0.52340(16) 0.0119(4) Uani d . 1 . .
C C233 0.8062(2) 0.5380(2) 0.34768(17) 0.0164(5) Uani d . 1 . .
H H233 0.8555 0.5529 0.2960 0.020 Uiso calc R 1 . .
C C232 0.8649(2) 0.58525(19) 0.44675(16) 0.0145(5) Uani d . 1 . .
H H232 0.9542 0.6329 0.4624 0.017 Uiso calc R 1 . .
C C122 0.6516(2) 0.7563(2) 0.49517(16) 0.0165(5) Uani d . 1 . .
H H122 0.7103 0.7299 0.5131 0.020 Uiso calc R 1 . .
C C2 0.6043(2) 0.5279(2) 0.86135(16) 0.0163(5) Uani d . 1 . .
C C121 0.6314(2) 0.83422(19) 0.56701(16) 0.0130(4) Uani d . 1 . .
C C216 0.8462(2) 0.40129(19) 0.63496(17) 0.0149(5) Uani d . 1 . .
H H216 0.8168 0.3862 0.5659 0.018 Uiso calc R 1 . .
C C221 1.0266(2) 0.73307(19) 0.65092(15) 0.0124(4) Uani d . 1 . .
C C133 0.5721(2) 1.0925(2) 0.82465(17) 0.0211(5) Uani d . 1 . .
H H133 0.5848 1.1708 0.8280 0.025 Uiso calc R 1 . .
C C235 0.6052(2) 0.4466(2) 0.40016(18) 0.0187(5) Uani d . 1 . .
H H235 0.5160 0.3985 0.3842 0.022 Uiso calc R 1 . .
C C123 0.5874(2) 0.7175(2) 0.39882(17) 0.0188(5) Uani d . 1 . .
H H123 0.6026 0.6652 0.3507 0.023 Uiso calc R 1 . .
C C226 1.0571(2) 0.8503(2) 0.65170(16) 0.0155(5) Uani d . 1 . .
H H226 0.9939 0.8749 0.6565 0.019 Uiso calc R 1 . .
C C124 0.5006(2) 0.7547(2) 0.37165(17) 0.0200(5) Uani d . 1 . .
H H124 0.4555 0.7270 0.3054 0.024 Uiso calc R 1 . .
C C136 0.5374(2) 0.8647(2) 0.81740(16) 0.0170(5) Uani d . 1 . .
H H136 0.5262 0.7873 0.8164 0.020 Uiso calc R 1 . .
C C222 1.1212(2) 0.6993(2) 0.64488(17) 0.0182(5) Uani d . 1 . .
H H222 1.1019 0.6200 0.6452 0.022 Uiso calc R 1 . .
C C215 0.8596(2) 0.3150(2) 0.67277(18) 0.0191(5) Uani d . 1 . .
H H215 0.8393 0.2410 0.6294 0.023 Uiso calc R 1 . .
C C126 0.5451(2) 0.8718(2) 0.53879(17) 0.0169(5) Uani d . 1 . .
H H126 0.5305 0.9250 0.5864 0.020 Uiso calc R 1 . .
C C114 1.1078(2) 1.1868(2) 0.7076(2) 0.0233(6) Uani d . 1 . .
H H114 1.1902 1.2499 0.7111 0.028 Uiso calc R 1 . .
C C224 1.2722(2) 0.8965(2) 0.63878(18) 0.0203(5) Uani d . 1 . .
H H224 1.3557 0.9522 0.6344 0.024 Uiso calc R 1 . .
C C112 0.9504(2) 1.0542(2) 0.78683(17) 0.0183(5) Uani d . 1 . .
H H112 0.9258 1.0258 0.8446 0.022 Uiso calc R 1 . .
C C113 1.0710(2) 1.1464(2) 0.79192(19) 0.0227(5) Uani d . 1 . .
H H113 1.1282 1.1818 0.8533 0.027 Uiso calc R 1 . .
C C223 1.2432(2) 0.7803(2) 0.63844(18) 0.0203(5) Uani d . 1 . .
H H223 1.3068 0.7561 0.6338 0.024 Uiso calc R 1 . .
C C1 0.7289(2) 0.6063(2) 0.92667(16) 0.0152(5) Uani d . 1 . .
C C134 0.4822(2) 1.0193(2) 0.87219(17) 0.0227(6) Uani d . 1 . .
H H134 0.4322 1.0470 0.9077 0.027 Uiso calc R 1 . .
C C125 0.4804(2) 0.8322(2) 0.44196(18) 0.0198(5) Uani d . 1 . .
H H125 0.4218 0.8585 0.4236 0.024 Uiso calc R 1 . .
C C234 0.6762(2) 0.4693(2) 0.32393(17) 0.0178(5) Uani d . 1 . .
H H234 0.6358 0.4381 0.2562 0.021 Uiso calc R 1 . .
C C3 0.5113(2) 0.4195(2) 0.87918(17) 0.0200(5) Uani d . 1 . .
H H3 0.4331 0.3847 0.8350 0.024 Uiso calc R 1 . .
C C7 0.7775(2) 0.5754(2) 1.00616(17) 0.0207(5) Uani d . 1 . .
H H7 0.8607 0.6334 1.0379 0.025 Uiso calc R 1 . .
C C213 0.9307(2) 0.4435(2) 0.83629(18) 0.0224(5) Uani d . 1 . .
H H213 0.9596 0.4579 0.9054 0.027 Uiso calc R 1 . .
C C225 1.1789(2) 0.9311(2) 0.64553(17) 0.0191(5) Uani d . 1 . .
H H225 1.1987 1.0107 0.6459 0.023 Uiso calc R 1 . .
C C135 0.4643(2) 0.9060(2) 0.86865(18) 0.0239(6) Uani d . 1 . .
H H135 0.4018 0.8560 0.9014 0.029 Uiso calc R 1 . .
C C214 0.9023(2) 0.3358(2) 0.77313(18) 0.0208(5) Uani d . 1 . .
H H214 0.9122 0.2767 0.7987 0.025 Uiso calc R 1 . .
C C212 0.9173(2) 0.5296(2) 0.79969(17) 0.0192(5) Uani d . 1 . .
H H212 0.9363 0.6028 0.8437 0.023 Uiso calc R 1 . .
C C6 0.7276(3) 0.4775(2) 1.04662(18) 0.0258(6) Uani d . 1 . .
H H6 0.7831 0.4780 1.0991 0.031 Uiso calc R 1 . .
C C4 0.5130(3) 0.3559(2) 0.94783(18) 0.0244(6) Uani d . 1 . .
H H4 0.4364 0.2854 0.9435 0.029 Uiso calc R 1 . .
C C5 0.6098(3) 0.3790(2) 1.02256(19) 0.0281(6) Uani d . 1 . .
H H5 0.5933 0.3215 1.0608 0.034 Uiso calc R 1 . .
Cl Cl1 0.82465(6) 0.96237(6) 0.01672(5) 0.03396(16) Uani d . 1 . .
C C01 0.9005(3) 1.1161(3) 0.0739(2) 0.0347(7) Uani d . 1 . .
H H01A 0.8877 1.1276 0.1442 0.042 Uiso calc R 1 . .
H H01B 0.9926 1.1495 0.0736 0.042 Uiso calc R 1 . .
Cl Cl2 0.84113(7) 1.19298(7) 0.01169(5) 0.03632(17) Uani d . 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'
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'
Ag Ag -0.8971 1.1015 '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_site_symmetry_1
_geom_angle_site_symmetry_3
_geom_angle
_geom_angle_publ_flag
O2 Ag O1 . . 68.67(6) y
O2 Ag P1 . . 121.43(4) y
O1 Ag P1 . . 128.35(4) y
O2 Ag P2 . . 103.97(4) y
O1 Ag P2 . . 98.81(4) y
P1 Ag P2 . . 122.391(19) y
C231 P2 C221 . . 103.35(10) ?
C231 P2 C211 . . 103.57(10) ?
C221 P2 C211 . . 103.62(10) ?
C231 P2 Ag . . 111.93(7) ?
C221 P2 Ag . . 114.95(7) ?
C211 P2 Ag . . 117.80(7) ?
C131 P1 C111 . . 104.60(10) ?
C131 P1 C121 . . 103.57(10) ?
C111 P1 C121 . . 104.03(10) ?
C131 P1 Ag . . 118.60(7) ?
C111 P1 Ag . . 110.63(7) ?
C121 P1 Ag . . 114.02(7) ?
C1 O1 Ag . . 115.51(14) ?
C235 C236 C231 . . 120.3(2) ?
C235 C236 H236 . . 119.8 ?
C231 C236 H236 . . 119.8 ?
C2 O2 Ag . . 117.18(14) ?
C114 C115 C116 . . 120.4(2) ?
C114 C115 H115 . . 119.8 ?
C116 C115 H115 . . 119.8 ?
C216 C211 C212 . . 119.0(2) ?
C216 C211 P2 . . 123.18(17) ?
C212 C211 P2 . . 117.83(17) ?
C132 C131 C136 . . 119.41(19) ?
C132 C131 P1 . . 122.58(16) ?
C136 C131 P1 . . 117.97(16) ?
C115 C116 C111 . . 120.2(2) ?
C115 C116 H116 . . 119.9 ?
C111 C116 H116 . . 119.9 ?
C116 C111 C112 . . 119.1(2) ?
C116 C111 P1 . . 123.35(18) ?
C112 C111 P1 . . 117.30(17) ?
C131 C132 C133 . . 120.4(2) ?
C131 C132 H132 . . 119.8 ?
C133 C132 H132 . . 119.8 ?
C232 C231 C236 . . 118.8(2) ?
C232 C231 P2 . . 122.87(17) ?
C236 C231 P2 . . 118.21(16) ?
C234 C233 C232 . . 120.3(2) ?
C234 C233 H233 . . 119.8 ?
C232 C233 H233 . . 119.8 ?
C233 C232 C231 . . 120.5(2) ?
C233 C232 H232 . . 119.8 ?
C231 C232 H232 . . 119.8 ?
C123 C122 C121 . . 120.7(2) ?
C123 C122 H122 . . 119.6 ?
C121 C122 H122 . . 119.6 ?
O2 C2 C3 . . 118.2(2) ?
O2 C2 C1 . . 117.6(2) ?
C3 C2 C1 . . 124.2(2) ?
C126 C121 C122 . . 118.5(2) ?
C126 C121 P1 . . 123.10(16) ?
C122 C121 P1 . . 118.31(17) ?
C215 C216 C211 . . 120.2(2) ?
C215 C216 H216 . . 119.9 ?
C211 C216 H216 . . 119.9 ?
C222 C221 C226 . . 118.8(2) ?
C222 C221 P2 . . 122.69(17) ?
C226 C221 P2 . . 118.54(16) ?
C134 C133 C132 . . 119.6(2) ?
C134 C133 H133 . . 120.2 ?
C132 C133 H133 . . 120.2 ?
C236 C235 C234 . . 120.8(2) ?
C236 C235 H235 . . 119.6 ?
C234 C235 H235 . . 119.6 ?
C122 C123 C124 . . 120.3(2) ?
C122 C123 H123 . . 119.8 ?
C124 C123 H123 . . 119.8 ?
C225 C226 C221 . . 120.5(2) ?
C225 C226 H226 . . 119.7 ?
C221 C226 H226 . . 119.7 ?
C125 C124 C123 . . 119.4(2) ?
C125 C124 H124 . . 120.3 ?
C123 C124 H124 . . 120.3 ?
C135 C136 C131 . . 119.8(2) ?
C135 C136 H136 . . 120.1 ?
C131 C136 H136 . . 120.1 ?
C223 C222 C221 . . 120.7(2) ?
C223 C222 H222 . . 119.6 ?
C221 C222 H222 . . 119.6 ?
C214 C215 C216 . . 120.5(2) ?
C214 C215 H215 . . 119.8 ?
C216 C215 H215 . . 119.8 ?
C125 C126 C121 . . 120.6(2) ?
C125 C126 H126 . . 119.7 ?
C121 C126 H126 . . 119.7 ?
C115 C114 C113 . . 119.9(2) ?
C115 C114 H114 . . 120.1 ?
C113 C114 H114 . . 120.1 ?
C225 C224 C223 . . 119.7(2) ?
C225 C224 H224 . . 120.1 ?
C223 C224 H224 . . 120.1 ?
C113 C112 C111 . . 120.3(2) ?
C113 C112 H112 . . 119.8 ?
C111 C112 H112 . . 119.8 ?
C114 C113 C112 . . 120.0(2) ?
C114 C113 H113 . . 120.0 ?
C112 C113 H113 . . 120.0 ?
C222 C223 C224 . . 119.9(2) ?
C222 C223 H223 . . 120.0 ?
C224 C223 H223 . . 120.0 ?
O1 C1 C7 . . 118.7(2) ?
O1 C1 C2 . . 117.0(2) ?
C7 C1 C2 . . 124.2(2) ?
C133 C134 C135 . . 120.5(2) ?
C133 C134 H134 . . 119.7 ?
C135 C134 H134 . . 119.7 ?
C124 C125 C126 . . 120.4(2) ?
C124 C125 H125 . . 119.8 ?
C126 C125 H125 . . 119.8 ?
C233 C234 C235 . . 119.3(2) ?
C233 C234 H234 . . 120.3 ?
C235 C234 H234 . . 120.3 ?
C4 C3 C2 . . 132.4(2) ?
C4 C3 H3 . . 113.8 ?
C2 C3 H3 . . 113.8 ?
C6 C7 C1 . . 132.6(2) ?
C6 C7 H7 . . 113.7 ?
C1 C7 H7 . . 113.7 ?
C212 C213 C214 . . 120.5(2) ?
C212 C213 H213 . . 119.7 ?
C214 C213 H213 . . 119.7 ?
C226 C225 C224 . . 120.4(2) ?
C226 C225 H225 . . 119.8 ?
C224 C225 H225 . . 119.8 ?
C134 C135 C136 . . 120.2(2) ?
C134 C135 H135 . . 119.9 ?
C136 C135 H135 . . 119.9 ?
C215 C214 C213 . . 119.5(2) ?
C215 C214 H214 . . 120.2 ?
C213 C214 H214 . . 120.2 ?
C213 C212 C211 . . 120.3(2) ?
C213 C212 H212 . . 119.8 ?
C211 C212 H212 . . 119.8 ?
C5 C6 C7 . . 130.0(3) ?
C5 C6 H6 . . 115.0 ?
C7 C6 H6 . . 115.0 ?
C3 C4 C5 . . 129.8(2) ?
C3 C4 H4 . . 115.1 ?
C5 C4 H4 . . 115.1 ?
C6 C5 C4 . . 126.3(2) ?
C6 C5 H5 . . 116.9 ?
C4 C5 H5 . . 116.9 ?
Cl2 C01 Cl1 . . 111.60(15) ?
Cl2 C01 H01A . . 109.3 ?
Cl1 C01 H01A . . 109.3 ?
Cl2 C01 H01B . . 109.3 ?
Cl1 C01 H01B . . 109.3 ?
H01A C01 H01B . . 108.0 ?
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
Ag O1 . 2.3612(16) y
Ag O2 . 2.3342(16) y
Ag P1 . 2.4070(6) y
Ag P2 . 2.4981(5) y
P2 C231 . 1.821(2) ?
P2 C221 . 1.823(2) ?
P2 C211 . 1.824(2) ?
P1 C131 . 1.820(2) ?
P1 C111 . 1.825(2) ?
P1 C121 . 1.829(2) ?
O1 C1 . 1.271(3) ?
C236 C235 . 1.380(3) ?
C236 C231 . 1.397(3) ?
C236 H236 . 0.9500 ?
O2 C2 . 1.261(3) ?
C115 C114 . 1.381(4) ?
C115 C116 . 1.386(3) ?
C115 H115 . 0.9500 ?
C211 C216 . 1.392(3) ?
C211 C212 . 1.399(3) ?
C131 C132 . 1.386(3) ?
C131 C136 . 1.395(3) ?
C116 C111 . 1.391(3) ?
C116 H116 . 0.9500 ?
C111 C112 . 1.395(3) ?
C132 C133 . 1.393(3) ?
C132 H132 . 0.9500 ?
C231 C232 . 1.395(3) ?
C233 C234 . 1.383(3) ?
C233 C232 . 1.390(3) ?
C233 H233 . 0.9500 ?
C232 H232 . 0.9500 ?
C122 C123 . 1.377(3) ?
C122 C121 . 1.400(3) ?
C122 H122 . 0.9500 ?
C2 C3 . 1.427(3) ?
C2 C1 . 1.486(3) ?
C121 C126 . 1.391(3) ?
C216 C215 . 1.387(3) ?
C216 H216 . 0.9500 ?
C221 C222 . 1.393(3) ?
C221 C226 . 1.394(3) ?
C133 C134 . 1.378(3) ?
C133 H133 . 0.9500 ?
C235 C234 . 1.390(3) ?
C235 H235 . 0.9500 ?
C123 C124 . 1.390(3) ?
C123 H123 . 0.9500 ?
C226 C225 . 1.384(3) ?
C226 H226 . 0.9500 ?
C124 C125 . 1.384(3) ?
C124 H124 . 0.9500 ?
C136 C135 . 1.389(3) ?
C136 H136 . 0.9500 ?
C222 C223 . 1.387(3) ?
C222 H222 . 0.9500 ?
C215 C214 . 1.382(3) ?
C215 H215 . 0.9500 ?
C126 C125 . 1.385(3) ?
C126 H126 . 0.9500 ?
C114 C113 . 1.383(3) ?
C114 H114 . 0.9500 ?
C224 C225 . 1.385(3) ?
C224 C223 . 1.388(3) ?
C224 H224 . 0.9500 ?
C112 C113 . 1.390(3) ?
C112 H112 . 0.9500 ?
C113 H113 . 0.9500 ?
C223 H223 . 0.9500 ?
C1 C7 . 1.414(3) ?
C134 C135 . 1.379(3) ?
C134 H134 . 0.9500 ?
C125 H125 . 0.9500 ?
C234 H234 . 0.9500 ?
C3 C4 . 1.373(3) ?
C3 H3 . 0.9500 ?
C7 C6 . 1.382(3) ?
C7 H7 . 0.9500 ?
C213 C212 . 1.376(3) ?
C213 C214 . 1.387(3) ?
C213 H213 . 0.9500 ?
C225 H225 . 0.9500 ?
C135 H135 . 0.9500 ?
C214 H214 . 0.9500 ?
C212 H212 . 0.9500 ?
C6 C5 . 1.379(4) ?
C6 H6 . 0.9500 ?
C4 C5 . 1.388(4) ?
C4 H4 . 0.9500 ?
C5 H5 . 0.9500 ?
Cl1 C01 . 1.770(3) ?
C01 Cl2 . 1.768(3) ?
C01 H01A . 0.9900 ?
C01 H01B . 0.9900 ?
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_2
_geom_torsion_site_symmetry_3
_geom_torsion_site_symmetry_4
_geom_torsion
_geom_torsion_publ_flag
O2 Ag P2 C231 . . . . 83.92(9) ?
O1 Ag P2 C231 . . . . 153.99(8) ?
P1 Ag P2 C231 . . . . -58.66(8) ?
O2 Ag P2 C221 . . . . -158.57(9) ?
O1 Ag P2 C221 . . . . -88.49(9) ?
P1 Ag P2 C221 . . . . 58.85(8) ?
O2 Ag P2 C211 . . . . -35.96(10) ?
O1 Ag P2 C211 . . . . 34.11(10) ?
P1 Ag P2 C211 . . . . -178.54(9) ?
O2 Ag P1 C131 . . . . 44.96(10) ?
O1 Ag P1 C131 . . . . -41.59(10) ?
P2 Ag P1 C131 . . . . -178.76(8) ?
O2 Ag P1 C111 . . . . 165.75(9) ?
O1 Ag P1 C111 . . . . 79.20(9) ?
P2 Ag P1 C111 . . . . -57.97(8) ?
O2 Ag P1 C121 . . . . -77.42(9) ?
O1 Ag P1 C121 . . . . -163.97(8) ?
P2 Ag P1 C121 . . . . 58.86(8) ?
O2 Ag O1 C1 . . . . 17.65(14) ?
P1 Ag O1 C1 . . . . 131.53(13) ?
P2 Ag O1 C1 . . . . -83.99(14) ?
O1 Ag O2 C2 . . . . -15.03(15) ?
P1 Ag O2 C2 . . . . -137.85(14) ?
P2 Ag O2 C2 . . . . 79.12(15) ?
C231 P2 C211 C216 . . . . 5.0(2) ?
C221 P2 C211 C216 . . . . -102.68(19) ?
Ag P2 C211 C216 . . . . 129.12(16) ?
C231 P2 C211 C212 . . . . -175.02(17) ?
C221 P2 C211 C212 . . . . 77.34(18) ?
Ag P2 C211 C212 . . . . -50.86(19) ?
C111 P1 C131 C132 . . . . 30.9(2) ?
C121 P1 C131 C132 . . . . -77.8(2) ?
Ag P1 C131 C132 . . . . 154.70(17) ?
C111 P1 C131 C136 . . . . -151.45(18) ?
C121 P1 C131 C136 . . . . 99.85(19) ?
Ag P1 C131 C136 . . . . -27.6(2) ?
C114 C115 C116 C111 . . . . -0.7(3) ?
C115 C116 C111 C112 . . . . -0.4(3) ?
C115 C116 C111 P1 . . . . -174.29(17) ?
C131 P1 C111 C116 . . . . -113.66(19) ?
C121 P1 C111 C116 . . . . -5.3(2) ?
Ag P1 C111 C116 . . . . 117.54(17) ?
C131 P1 C111 C112 . . . . 72.36(18) ?
C121 P1 C111 C112 . . . . -179.28(16) ?
Ag P1 C111 C112 . . . . -56.44(17) ?
C136 C131 C132 C133 . . . . -0.5(3) ?
P1 C131 C132 C133 . . . . 177.16(18) ?
C235 C236 C231 C232 . . . . -0.2(3) ?
C235 C236 C231 P2 . . . . 176.33(17) ?
C221 P2 C231 C232 . . . . 6.6(2) ?
C211 P2 C231 C232 . . . . -101.18(19) ?
Ag P2 C231 C232 . . . . 130.91(16) ?
C221 P2 C231 C236 . . . . -169.69(17) ?
C211 P2 C231 C236 . . . . 82.48(18) ?
Ag P2 C231 C236 . . . . -45.43(19) ?
C234 C233 C232 C231 . . . . 0.6(3) ?
C236 C231 C232 C233 . . . . 0.0(3) ?
P2 C231 C232 C233 . . . . -176.29(17) ?
Ag O2 C2 C3 . . . . -169.93(14) ?
Ag O2 C2 C1 . . . . 11.5(2) ?
C123 C122 C121 C126 . . . . -0.1(3) ?
C123 C122 C121 P1 . . . . 176.62(17) ?
C131 P1 C121 C126 . . . . 13.0(2) ?
C111 P1 C121 C126 . . . . -96.14(19) ?
Ag P1 C121 C126 . . . . 143.27(17) ?
C131 P1 C121 C122 . . . . -163.60(17) ?
C111 P1 C121 C122 . . . . 87.28(18) ?
Ag P1 C121 C122 . . . . -33.31(19) ?
C212 C211 C216 C215 . . . . -0.9(3) ?
P2 C211 C216 C215 . . . . 179.11(16) ?
C231 P2 C221 C222 . . . . -86.0(2) ?
C211 P2 C221 C222 . . . . 21.8(2) ?
Ag P2 C221 C222 . . . . 151.70(16) ?
C231 P2 C221 C226 . . . . 92.32(18) ?
C211 P2 C221 C226 . . . . -159.88(17) ?
Ag P2 C221 C226 . . . . -29.94(19) ?
C131 C132 C133 C134 . . . . -0.7(4) ?
C231 C236 C235 C234 . . . . -0.3(3) ?
C121 C122 C123 C124 . . . . -0.5(3) ?
C222 C221 C226 C225 . . . . 0.7(3) ?
P2 C221 C226 C225 . . . . -177.75(17) ?
C122 C123 C124 C125 . . . . 0.9(3) ?
C132 C131 C136 C135 . . . . 1.5(3) ?
P1 C131 C136 C135 . . . . -176.21(19) ?
C226 C221 C222 C223 . . . . -0.8(3) ?
P2 C221 C222 C223 . . . . 177.51(18) ?
C211 C216 C215 C214 . . . . 0.0(3) ?
C122 C121 C126 C125 . . . . 0.4(3) ?
P1 C121 C126 C125 . . . . -176.20(18) ?
C116 C115 C114 C113 . . . . 1.0(4) ?
C116 C111 C112 C113 . . . . 1.3(3) ?
P1 C111 C112 C113 . . . . 175.55(17) ?
C115 C114 C113 C112 . . . . -0.1(3) ?
C111 C112 C113 C114 . . . . -1.1(3) ?
C221 C222 C223 C224 . . . . 0.5(4) ?
C225 C224 C223 C222 . . . . 0.0(4) ?
Ag O1 C1 C7 . . . . 158.97(15) ?
Ag O1 C1 C2 . . . . -18.7(2) ?
O2 C2 C1 O1 . . . . 5.2(3) ?
C3 C2 C1 O1 . . . . -173.26(19) ?
O2 C2 C1 C7 . . . . -172.4(2) ?
C3 C2 C1 C7 . . . . 9.2(3) ?
C132 C133 C134 C135 . . . . 0.8(4) ?
C123 C124 C125 C126 . . . . -0.6(4) ?
C121 C126 C125 C124 . . . . 0.0(4) ?
C232 C233 C234 C235 . . . . -1.0(3) ?
C236 C235 C234 C233 . . . . 0.9(3) ?
O2 C2 C3 C4 . . . . 174.6(2) ?
C1 C2 C3 C4 . . . . -7.0(4) ?
O1 C1 C7 C6 . . . . 178.7(2) ?
C2 C1 C7 C6 . . . . -3.8(4) ?
C221 C226 C225 C224 . . . . -0.2(3) ?
C223 C224 C225 C226 . . . . -0.1(4) ?
C133 C134 C135 C136 . . . . 0.3(4) ?
C131 C136 C135 C134 . . . . -1.5(4) ?
C216 C215 C214 C213 . . . . 0.6(3) ?
C212 C213 C214 C215 . . . . -0.4(3) ?
C214 C213 C212 C211 . . . . -0.5(3) ?
C216 C211 C212 C213 . . . . 1.2(3) ?
P2 C211 C212 C213 . . . . -178.86(17) ?
C1 C7 C6 C5 . . . . -2.5(4) ?
C2 C3 C4 C5 . . . . -0.4(4) ?
C7 C6 C5 C4 . . . . 1.3(4) ?
C3 C4 C5 C6 . . . . 2.8(4) ?
