#------------------------------------------------------------------------------
#$Date: 2016-02-20 22:30:07 +0200 (Sat, 20 Feb 2016) $
#$Revision: 176789 $
#$URL: svn://www.crystallography.net/cod/cif/2/22/57/2225755.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_2225755
loop_
_publ_author_name
'Burgoyne, Andrew R.'
'Meijboom, Reinout'
'Muller, Alfred'
'Omondi, Bernard'
_publ_section_title
;
 Bis(dicyclohexylphenylphosphine)silver(I) nitrate
;
_journal_coeditor_code           BG2336
_journal_issue                   5
_journal_name_full               'Acta Crystallographica Section E'
_journal_page_first              m503
_journal_page_last               m504
_journal_paper_doi               10.1107/S1600536810011724
_journal_volume                  66
_journal_year                    2010
_chemical_formula_iupac          '[Ag (C18 H27 P1)2] N O3'
_chemical_formula_moiety         'C36 H54 Ag P2 +, N O3 -'
_chemical_formula_sum            'C36 H54 Ag N O3 P2'
_chemical_formula_weight         718.61
_chemical_name_systematic
;
Bis(dicyclohexylphenylphosphine)silver(I) nitrate
;
_space_group_IT_number           4
_symmetry_cell_setting           monoclinic
_symmetry_space_group_name_Hall  'P 2yb'
_symmetry_space_group_name_H-M   'P 1 21 1'
_audit_creation_method           'WinGX routine CIF_UPDATE'
_cell_angle_alpha                90
_cell_angle_beta                 106.8960(10)
_cell_angle_gamma                90
_cell_formula_units_Z            2
_cell_length_a                   10.9207(4)
_cell_length_b                   13.6312(5)
_cell_length_c                   12.2121(5)
_cell_measurement_reflns_used    19966
_cell_measurement_temperature    296(2)
_cell_measurement_theta_max      27.81
_cell_measurement_theta_min      1.74
_cell_volume                     1739.45(12)
_computing_cell_refinement       'SAINT (Bruker, 2004)'
_computing_data_collection       'SMART (Bruker, 2004)'
_computing_data_reduction        'SAINT (Bruker, 2004)'
_computing_molecular_graphics
;
ORTEP-3 for Windows  (Farrugia, 1997), PLATON (Spek, 2009) and
DIAMOND
(Brandenburg & Putz, 2005)
;
_computing_publication_material  'WinGX (Farrugia, 1999)'
_computing_structure_refinement  'SHELXL97 (Sheldrick, 2008)'
_computing_structure_solution    'SHELXS97 (Sheldrick, 2008)'
_diffrn_ambient_temperature      296(2)
_diffrn_detector_area_resol_mean 0
_diffrn_measured_fraction_theta_full 0.991
_diffrn_measured_fraction_theta_max 0.991
_diffrn_measurement_device_type  'Bruker APEXII CCD'
_diffrn_measurement_method       'φ and ω scans'
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_reflns_av_R_equivalents  0.0195
_diffrn_reflns_limit_h_max       13
_diffrn_reflns_limit_h_min       -14
_diffrn_reflns_limit_k_max       14
_diffrn_reflns_limit_k_min       -17
_diffrn_reflns_limit_l_max       15
_diffrn_reflns_limit_l_min       -15
_diffrn_reflns_number            19954
_diffrn_reflns_theta_full        27.81
_diffrn_reflns_theta_max         27.81
_diffrn_reflns_theta_min         1.74
_diffrn_standards_decay_%        0
_diffrn_standards_interval_count 0
_diffrn_standards_number         0
_exptl_absorpt_coefficient_mu    0.707
_exptl_absorpt_correction_T_max  0.9076
_exptl_absorpt_correction_T_min  0.7557
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   '(SADABS; Bruker, 2004)'
_exptl_crystal_colour            Colourless
_exptl_crystal_density_diffrn    1.372
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       Plate
_exptl_crystal_F_000             756
_exptl_crystal_size_max          0.42
_exptl_crystal_size_mid          0.34
_exptl_crystal_size_min          0.14
_refine_diff_density_max         0.754
_refine_diff_density_min         -0.277
_refine_ls_abs_structure_details 'Flack (1983), 2322  Friedel pairs'
_refine_ls_abs_structure_Flack   0.041(15)
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.059
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     389
_refine_ls_number_reflns         6614
_refine_ls_number_restraints     1
_refine_ls_restrained_S_all      1.058
_refine_ls_R_factor_gt           0.0211
_refine_ls_shift/su_max          0.001
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'calc w=1/[σ²(Fo²)+(0.0323P)²+0.3975P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_ref         0.055
_reflns_number_gt                6503
_reflns_number_total             6614
_reflns_threshold_expression     I>2σ(I)
_cod_data_source_file            bg2336.cif
_cod_data_source_block           I
_cod_original_cell_volume        1739.45(11)
_cod_original_sg_symbol_H-M      'P 21'
_cod_database_code               2225755
_cod_database_fobs_code          2225755
loop_
_symmetry_equiv_pos_as_xyz
'x, y, z'
'-x, y+1/2, -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
C C11 0.62500(19) 0.63257(16) 0.56623(17) 0.0192(4) Uani d . 1 . .
C C12 0.7541(2) 0.65504(18) 0.57934(19) 0.0238(4) Uani d . 1 . .
H H12 0.8061 0.6781 0.649 0.029 Uiso calc R 1 . .
C C13 0.8040(2) 0.6424(2) 0.4866(2) 0.0304(5) Uani d . 1 . .
H H13 0.8877 0.6614 0.4936 0.036 Uiso calc R 1 . .
C C14 0.7305(2) 0.60220(18) 0.38554(19) 0.0247(5) Uani d . 1 . .
H H14 0.7665 0.5895 0.3267 0.03 Uiso calc R 1 . .
C C15 0.6018(2) 0.58046(17) 0.37122(18) 0.0216(4) Uani d . 1 . .
H H15 0.55 0.5578 0.3012 0.026 Uiso calc R 1 . .
C C16 0.5517(2) 0.59328(18) 0.46349(19) 0.0230(4) Uani d . 1 . .
H H16 0.4675 0.575 0.4557 0.028 Uiso calc R 1 . .
C C21 0.5685(2) 0.51594(16) 0.74331(19) 0.0209(4) Uani d . 1 . .
H H21 0.5338 0.5188 0.8088 0.025 Uiso calc R 1 . .
C C22 0.7053(2) 0.47939(19) 0.7908(2) 0.0297(5) Uani d . 1 . .
H H22A 0.7475 0.4834 0.7312 0.036 Uiso calc R 1 . .
H H22B 0.7508 0.5221 0.8528 0.036 Uiso calc R 1 . .
C C23 0.7135(3) 0.3754(2) 0.8343(2) 0.0347(6) Uani d . 1 . .
H H23A 0.6873 0.3738 0.9036 0.042 Uiso calc R 1 . .
H H23B 0.8018 0.3537 0.8536 0.042 Uiso calc R 1 . .
C C24 0.6306(3) 0.30502(19) 0.7477(3) 0.0379(6) Uani d . 1 . .
H H24A 0.6652 0.2982 0.6834 0.046 Uiso calc R 1 . .
H H24B 0.6323 0.241 0.7827 0.046 Uiso calc R 1 . .
C C25 0.4941(3) 0.34062(19) 0.7054(2) 0.0344(6) Uani d . 1 . .
H H25A 0.4557 0.3375 0.7676 0.041 Uiso calc R 1 . .
H H25B 0.4461 0.2973 0.6451 0.041 Uiso calc R 1 . .
C C26 0.4845(2) 0.44473(18) 0.6600(2) 0.0283(5) Uani d . 1 . .
H H26A 0.5085 0.4454 0.5895 0.034 Uiso calc R 1 . .
H H26B 0.3963 0.4664 0.6422 0.034 Uiso calc R 1 . .
C C31 0.40036(18) 0.68109(17) 0.63811(18) 0.0175(4) Uani d . 1 . .
H H31 0.3571 0.6355 0.577 0.021 Uiso calc R 1 . .
C C32 0.3332(2) 0.67641(18) 0.7323(2) 0.0236(4) Uani d . 1 . .
H H32A 0.3781 0.7179 0.7959 0.028 Uiso calc R 1 . .
H H32B 0.3354 0.6096 0.7603 0.028 Uiso calc R 1 . .
C C33 0.1933(2) 0.7106(2) 0.6862(2) 0.0346(6) Uani d . 1 . .
H H33A 0.1464 0.6653 0.6278 0.042 Uiso calc R 1 . .
H H33B 0.1539 0.7104 0.7478 0.042 Uiso calc R 1 . .
C C34 0.1855(3) 0.8127(2) 0.6359(2) 0.0354(6) Uani d . 1 . .
H H34A 0.2253 0.859 0.6961 0.042 Uiso calc R 1 . .
H H34B 0.0964 0.8312 0.6046 0.042 Uiso calc R 1 . .
C C35 0.2518(2) 0.8184(2) 0.5419(2) 0.0323(5) Uani d . 1 . .
H H35A 0.2495 0.8855 0.5148 0.039 Uiso calc R 1 . .
H H35B 0.2067 0.7775 0.478 0.039 Uiso calc R 1 . .
C C36 0.3913(2) 0.78417(17) 0.5874(2) 0.0253(5) Uani d . 1 . .
H H36A 0.4303 0.7846 0.5255 0.03 Uiso calc R 1 . .
H H36B 0.4384 0.8295 0.6457 0.03 Uiso calc R 1 . .
C C41 0.61465(18) 0.98163(16) 0.93476(17) 0.0170(4) Uani d . 1 . .
C C42 0.4998(2) 0.93063(17) 0.91929(18) 0.0210(4) Uani d . 1 . .
H H42 0.4969 0.8635 0.9052 0.025 Uiso calc R 1 . .
C C43 0.3901(2) 0.97931(19) 0.92474(19) 0.0257(5) Uani d . 1 . .
H H43 0.3146 0.9445 0.9157 0.031 Uiso calc R 1 . .
C C44 0.3926(2) 1.07889(19) 0.94354(19) 0.0267(5) Uani d . 1 . .
H H44 0.3188 1.1113 0.9466 0.032 Uiso calc R 1 . .
C C45 0.5064(2) 1.13139(18) 0.95813(19) 0.0247(5) Uani d . 1 . .
H H45 0.5079 1.1989 0.9697 0.03 Uiso calc R 1 . .
C C46 0.6173(2) 1.08229(17) 0.95532(18) 0.0199(4) Uani d . 1 . .
H H46 0.6935 1.1168 0.9672 0.024 Uiso calc R 1 . .
C C51 0.84078(19) 0.99516(16) 0.85746(18) 0.0192(4) Uani d . 1 . .
H H51 0.8576 1.0564 0.9014 0.023 Uiso calc R 1 . .
C C52 0.7564(2) 1.0186(2) 0.7380(2) 0.0359(6) Uani d . 1 . .
H H52A 0.6781 1.0494 0.7428 0.043 Uiso calc R 1 . .
H H52B 0.7336 0.9582 0.6948 0.043 Uiso calc R 1 . .
C C53 0.8250(2) 1.0873(3) 0.6755(3) 0.0463(8) Uani d . 1 . .
H H53A 0.7701 1.1001 0.5988 0.056 Uiso calc R 1 . .
H H53B 0.8431 1.1493 0.7159 0.056 Uiso calc R 1 . .
C C54 0.9503(2) 1.0404(2) 0.6691(2) 0.0347(6) Uani d . 1 . .
H H54A 0.932 0.9798 0.6259 0.042 Uiso calc R 1 . .
H H54B 0.9936 1.0844 0.6301 0.042 Uiso calc R 1 . .
C C55 1.0355(2) 1.0198(2) 0.7882(2) 0.0283(5) Uani d . 1 . .
H H55A 1.0578 1.0812 0.8294 0.034 Uiso calc R 1 . .
H H55B 1.114 0.9892 0.7835 0.034 Uiso calc R 1 . .
C C56 0.9694(2) 0.95221(19) 0.8541(2) 0.0252(5) Uani d . 1 . .
H H56A 0.9555 0.8883 0.8175 0.03 Uiso calc R 1 . .
H H56B 1.0244 0.9435 0.9316 0.03 Uiso calc R 1 . .
C C61 0.85318(19) 0.89667(16) 1.07819(17) 0.0176(4) Uani d . 1 . .
H H61 0.9256 0.8543 1.0778 0.021 Uiso calc R 1 . .
C C62 0.9082(2) 0.98983(17) 1.1412(2) 0.0248(4) Uani d . 1 . .
H H62A 0.8391 1.0351 1.1394 0.03 Uiso calc R 1 . .
H H62B 0.9641 1.0208 1.1025 0.03 Uiso calc R 1 . .
C C63 0.9839(2) 0.9693(2) 1.2660(2) 0.0297(5) Uani d . 1 . .
H H63A 1.0594 0.9311 1.2679 0.036 Uiso calc R 1 . .
H H63B 1.012 1.031 1.3048 0.036 Uiso calc R 1 . .
C C64 0.9043(2) 0.9140(2) 1.3288(2) 0.0323(5) Uani d . 1 . .
H H64A 0.957 0.8982 1.4055 0.039 Uiso calc R 1 . .
H H64B 0.8346 0.9555 1.3355 0.039 Uiso calc R 1 . .
C C65 0.8500(3) 0.8203(2) 1.2667(2) 0.0380(6) Uani d . 1 . .
H H65A 0.7951 0.7888 1.3061 0.046 Uiso calc R 1 . .
H H65B 0.9194 0.7756 1.2677 0.046 Uiso calc R 1 . .
C C66 0.7729(2) 0.8412(2) 1.1425(2) 0.0322(6) Uani d . 1 . .
H H66A 0.6981 0.8799 1.1416 0.039 Uiso calc R 1 . .
H H66B 0.7437 0.7797 1.1036 0.039 Uiso calc R 1 . .
P P1 0.56910(5) 0.64378(4) 0.69333(4) 0.01558(10) Uani d . 1 . .
P P2 0.75517(5) 0.91135(4) 0.92785(4) 0.01542(10) Uani d . 1 . .
Ag Ag 0.702066(12) 0.754956(13) 0.830004(11) 0.01948(4) Uani d . 1 . .
N N 0.9763(2) 0.69958(15) 0.93701(19) 0.0315(5) Uani d . 1 . .
O O1 0.94184(16) 0.71192(15) 0.83128(16) 0.0352(4) Uani d . 1 . .
O O2 0.8923(2) 0.67588(16) 0.98484(17) 0.0425(5) Uani d . 1 . .
O O3 1.08964(19) 0.71145(16) 0.9931(2) 0.0535(6) 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 0 '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 0.006 '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'
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
C16 C11 C12 . . 118.95(18) ?
C16 C11 P1 . . 123.54(15) ?
C12 C11 P1 . . 117.10(16) ?
C13 C12 C11 . . 119.6(2) ?
C13 C12 H12 . . 120.2 ?
C11 C12 H12 . . 120.2 ?
C14 C13 C12 . . 120.7(2) ?
C14 C13 H13 . . 119.6 ?
C12 C13 H13 . . 119.6 ?
C13 C14 C15 . . 120.02(19) ?
C13 C14 H14 . . 120 ?
C15 C14 H14 . . 120 ?
C14 C15 C16 . . 119.2(2) ?
C14 C15 H15 . . 120.4 ?
C16 C15 H15 . . 120.4 ?
C11 C16 C15 . . 121.30(19) ?
C11 C16 H16 . . 119.4 ?
C15 C16 H16 . . 119.4 ?
C26 C21 C22 . . 112.6(2) ?
C26 C21 P1 . . 116.35(16) ?
C22 C21 P1 . . 109.75(16) ?
C26 C21 H21 . . 105.8 ?
C22 C21 H21 . . 105.8 ?
P1 C21 H21 . . 105.8 ?
C23 C22 C21 . . 113.2(2) ?
C23 C22 H22A . . 108.9 ?
C21 C22 H22A . . 108.9 ?
C23 C22 H22B . . 108.9 ?
C21 C22 H22B . . 108.9 ?
H22A C22 H22B . . 107.7 ?
C22 C23 C24 . . 112.8(2) ?
C22 C23 H23A . . 109 ?
C24 C23 H23A . . 109 ?
C22 C23 H23B . . 109 ?
C24 C23 H23B . . 109 ?
H23A C23 H23B . . 107.8 ?
C25 C24 C23 . . 111.4(2) ?
C25 C24 H24A . . 109.3 ?
C23 C24 H24A . . 109.3 ?
C25 C24 H24B . . 109.3 ?
C23 C24 H24B . . 109.3 ?
H24A C24 H24B . . 108 ?
C24 C25 C26 . . 112.5(2) ?
C24 C25 H25A . . 109.1 ?
C26 C25 H25A . . 109.1 ?
C24 C25 H25B . . 109.1 ?
C26 C25 H25B . . 109.1 ?
H25A C25 H25B . . 107.8 ?
C21 C26 C25 . . 113.1(2) ?
C21 C26 H26A . . 109 ?
C25 C26 H26A . . 109 ?
C21 C26 H26B . . 109 ?
C25 C26 H26B . . 109 ?
H26A C26 H26B . . 107.8 ?
C36 C31 C32 . . 110.69(18) ?
C36 C31 P1 . . 110.06(15) ?
C32 C31 P1 . . 111.08(15) ?
C36 C31 H31 . . 108.3 ?
C32 C31 H31 . . 108.3 ?
P1 C31 H31 . . 108.3 ?
C31 C32 C33 . . 110.64(19) ?
C31 C32 H32A . . 109.5 ?
C33 C32 H32A . . 109.5 ?
C31 C32 H32B . . 109.5 ?
C33 C32 H32B . . 109.5 ?
H32A C32 H32B . . 108.1 ?
C34 C33 C32 . . 111.1(2) ?
C34 C33 H33A . . 109.4 ?
C32 C33 H33A . . 109.4 ?
C34 C33 H33B . . 109.4 ?
C32 C33 H33B . . 109.4 ?
H33A C33 H33B . . 108 ?
C33 C34 C35 . . 111.6(2) ?
C33 C34 H34A . . 109.3 ?
C35 C34 H34A . . 109.3 ?
C33 C34 H34B . . 109.3 ?
C35 C34 H34B . . 109.3 ?
H34A C34 H34B . . 108 ?
C34 C35 C36 . . 110.5(2) ?
C34 C35 H35A . . 109.6 ?
C36 C35 H35A . . 109.6 ?
C34 C35 H35B . . 109.6 ?
C36 C35 H35B . . 109.6 ?
H35A C35 H35B . . 108.1 ?
C31 C36 C35 . . 111.56(19) ?
C31 C36 H36A . . 109.3 ?
C35 C36 H36A . . 109.3 ?
C31 C36 H36B . . 109.3 ?
C35 C36 H36B . . 109.3 ?
H36A C36 H36B . . 108 ?
C46 C41 C42 . . 119.01(19) ?
C46 C41 P2 . . 123.32(16) ?
C42 C41 P2 . . 117.66(16) ?
C43 C42 C41 . . 120.6(2) ?
C43 C42 H42 . . 119.7 ?
C41 C42 H42 . . 119.7 ?
C44 C43 C42 . . 120.2(2) ?
C44 C43 H43 . . 119.9 ?
C42 C43 H43 . . 119.9 ?
C43 C44 C45 . . 120.0(2) ?
C43 C44 H44 . . 120 ?
C45 C44 H44 . . 120 ?
C46 C45 C44 . . 119.8(2) ?
C46 C45 H45 . . 120.1 ?
C44 C45 H45 . . 120.1 ?
C41 C46 C45 . . 120.3(2) ?
C41 C46 H46 . . 119.8 ?
C45 C46 H46 . . 119.8 ?
C52 C51 C56 . . 111.09(18) ?
C52 C51 P2 . . 109.34(15) ?
C56 C51 P2 . . 111.68(15) ?
C52 C51 H51 . . 108.2 ?
C56 C51 H51 . . 108.2 ?
P2 C51 H51 . . 108.2 ?
C51 C52 C53 . . 111.0(2) ?
C51 C52 H52A . . 109.4 ?
C53 C52 H52A . . 109.4 ?
C51 C52 H52B . . 109.4 ?
C53 C52 H52B . . 109.4 ?
H52A C52 H52B . . 108 ?
C54 C53 C52 . . 110.1(3) ?
C54 C53 H53A . . 109.6 ?
C52 C53 H53A . . 109.6 ?
C54 C53 H53B . . 109.6 ?
C52 C53 H53B . . 109.6 ?
H53A C53 H53B . . 108.2 ?
C55 C54 C53 . . 109.8(2) ?
C55 C54 H54A . . 109.7 ?
C53 C54 H54A . . 109.7 ?
C55 C54 H54B . . 109.7 ?
C53 C54 H54B . . 109.7 ?
H54A C54 H54B . . 108.2 ?
C54 C55 C56 . . 111.4(2) ?
C54 C55 H55A . . 109.3 ?
C56 C55 H55A . . 109.3 ?
C54 C55 H55B . . 109.3 ?
C56 C55 H55B . . 109.3 ?
H55A C55 H55B . . 108 ?
C51 C56 C55 . . 111.02(19) ?
C51 C56 H56A . . 109.4 ?
C55 C56 H56A . . 109.4 ?
C51 C56 H56B . . 109.4 ?
C55 C56 H56B . . 109.4 ?
H56A C56 H56B . . 108 ?
C62 C61 C66 . . 110.74(18) ?
C62 C61 P2 . . 116.34(15) ?
C66 C61 P2 . . 108.02(15) ?
C62 C61 H61 . . 107.1 ?
C66 C61 H61 . . 107.1 ?
P2 C61 H61 . . 107.1 ?
C61 C62 C63 . . 111.82(19) ?
C61 C62 H62A . . 109.3 ?
C63 C62 H62A . . 109.3 ?
C61 C62 H62B . . 109.3 ?
C63 C62 H62B . . 109.3 ?
H62A C62 H62B . . 107.9 ?
C64 C63 C62 . . 111.7(2) ?
C64 C63 H63A . . 109.3 ?
C62 C63 H63A . . 109.3 ?
C64 C63 H63B . . 109.3 ?
C62 C63 H63B . . 109.3 ?
H63A C63 H63B . . 107.9 ?
C65 C64 C63 . . 111.3(2) ?
C65 C64 H64A . . 109.4 ?
C63 C64 H64A . . 109.4 ?
C65 C64 H64B . . 109.4 ?
C63 C64 H64B . . 109.4 ?
H64A C64 H64B . . 108 ?
C64 C65 C66 . . 111.1(2) ?
C64 C65 H65A . . 109.4 ?
C66 C65 H65A . . 109.4 ?
C64 C65 H65B . . 109.4 ?
C66 C65 H65B . . 109.4 ?
H65A C65 H65B . . 108 ?
C65 C66 C61 . . 111.5(2) ?
C65 C66 H66A . . 109.3 ?
C61 C66 H66A . . 109.3 ?
C65 C66 H66B . . 109.3 ?
C61 C66 H66B . . 109.3 ?
H66A C66 H66B . . 108 ?
C11 P1 C31 . . 104.92(10) ?
C11 P1 C21 . . 103.60(10) ?
C31 P1 C21 . . 106.42(10) ?
C11 P1 Ag . . 110.98(7) ?
C31 P1 Ag . . 114.74(7) ?
C21 P1 Ag . . 115.12(7) ?
C41 P2 C51 . . 104.07(9) ?
C41 P2 C61 . . 105.19(9) ?
C51 P2 C61 . . 107.77(10) ?
C41 P2 Ag . . 113.46(7) ?
C51 P2 Ag . . 113.33(7) ?
C61 P2 Ag . . 112.34(7) ?
P1 Ag P2 . . 154.662(19) ?
O3 N O1 . . 120.5(2) ?
O3 N O2 . . 121.4(2) ?
O1 N O2 . . 118.1(2) ?
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
C11 C16 . 1.385(3) ?
C11 C12 . 1.406(3) ?
C11 P1 . 1.832(2) ?
C12 C13 . 1.402(3) ?
C12 H12 . 0.93 ?
C13 C14 . 1.376(3) ?
C13 H13 . 0.93 ?
C14 C15 . 1.397(3) ?
C14 H14 . 0.93 ?
C15 C16 . 1.399(3) ?
C15 H15 . 0.93 ?
C16 H16 . 0.93 ?
C21 C26 . 1.509(3) ?
C21 C22 . 1.520(3) ?
C21 P1 . 1.847(2) ?
C21 H21 . 0.98 ?
C22 C23 . 1.508(4) ?
C22 H22A . 0.97 ?
C22 H22B . 0.97 ?
C23 C24 . 1.516(4) ?
C23 H23A . 0.97 ?
C23 H23B . 0.97 ?
C24 C25 . 1.509(4) ?
C24 H24A . 0.97 ?
C24 H24B . 0.97 ?
C25 C26 . 1.516(3) ?
C25 H25A . 0.97 ?
C25 H25B . 0.97 ?
C26 H26A . 0.97 ?
C26 H26B . 0.97 ?
C31 C36 . 1.527(3) ?
C31 C32 . 1.535(3) ?
C31 P1 . 1.840(2) ?
C31 H31 . 0.98 ?
C32 C33 . 1.539(3) ?
C32 H32A . 0.97 ?
C32 H32B . 0.97 ?
C33 C34 . 1.513(4) ?
C33 H33A . 0.97 ?
C33 H33B . 0.97 ?
C34 C35 . 1.527(4) ?
C34 H34A . 0.97 ?
C34 H34B . 0.97 ?
C35 C36 . 1.534(3) ?
C35 H35A . 0.97 ?
C35 H35B . 0.97 ?
C36 H36A . 0.97 ?
C36 H36B . 0.97 ?
C41 C46 . 1.394(3) ?
C41 C42 . 1.398(3) ?
C41 P2 . 1.832(2) ?
C42 C43 . 1.389(3) ?
C42 H42 . 0.93 ?
C43 C44 . 1.376(4) ?
C43 H43 . 0.93 ?
C44 C45 . 1.399(3) ?
C44 H44 . 0.93 ?
C45 C46 . 1.393(3) ?
C45 H45 . 0.93 ?
C46 H46 . 0.93 ?
C51 C52 . 1.516(3) ?
C51 C56 . 1.534(3) ?
C51 P2 . 1.840(2) ?
C51 H51 . 0.98 ?
C52 C53 . 1.534(4) ?
C52 H52A . 0.97 ?
C52 H52B . 0.97 ?
C53 C54 . 1.532(4) ?
C53 H53A . 0.97 ?
C53 H53B . 0.97 ?
C54 C55 . 1.508(3) ?
C54 H54A . 0.97 ?
C54 H54B . 0.97 ?
C55 C56 . 1.534(3) ?
C55 H55A . 0.97 ?
C55 H55B . 0.97 ?
C56 H56A . 0.97 ?
C56 H56B . 0.97 ?
C61 C62 . 1.516(3) ?
C61 C66 . 1.535(3) ?
C61 P2 . 1.848(2) ?
C61 H61 . 0.98 ?
C62 C63 . 1.533(3) ?
C62 H62A . 0.97 ?
C62 H62B . 0.97 ?
C63 C64 . 1.517(3) ?
C63 H63A . 0.97 ?
C63 H63B . 0.97 ?
C64 C65 . 1.517(4) ?
C64 H64A . 0.97 ?
C64 H64B . 0.97 ?
C65 C66 . 1.533(3) ?
C65 H65A . 0.97 ?
C65 H65B . 0.97 ?
C66 H66A . 0.97 ?
C66 H66B . 0.97 ?
P1 Ag . 2.4046(5) ?
P2 Ag . 2.4303(6) ?
N O3 . 1.239(3) ?
N O1 . 1.247(3) ?
N O2 . 1.265(3) ?
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
C16 C11 C12 C13 . . . . 3.5(4) ?
P1 C11 C12 C13 . . . . 176.4(2) ?
C11 C12 C13 C14 . . . . -4.3(4) ?
C12 C13 C14 C15 . . . . 4.9(4) ?
C13 C14 C15 C16 . . . . -4.7(4) ?
C12 C11 C16 C15 . . . . -3.4(4) ?
P1 C11 C16 C15 . . . . -175.79(19) ?
C14 C15 C16 C11 . . . . 4.0(4) ?
C26 C21 C22 C23 . . . . -49.1(3) ?
P1 C21 C22 C23 . . . . 179.65(17) ?
C21 C22 C23 C24 . . . . 51.1(3) ?
C22 C23 C24 C25 . . . . -53.0(3) ?
C23 C24 C25 C26 . . . . 53.3(3) ?
C22 C21 C26 C25 . . . . 49.5(3) ?
P1 C21 C26 C25 . . . . 177.35(16) ?
C24 C25 C26 C21 . . . . -52.2(3) ?
C36 C31 C32 C33 . . . . 55.8(3) ?
P1 C31 C32 C33 . . . . 178.34(18) ?
C31 C32 C33 C34 . . . . -56.2(3) ?
C32 C33 C34 C35 . . . . 56.5(3) ?
C33 C34 C35 C36 . . . . -55.8(3) ?
C32 C31 C36 C35 . . . . -56.0(2) ?
P1 C31 C36 C35 . . . . -179.19(16) ?
C34 C35 C36 C31 . . . . 55.6(3) ?
C46 C41 C42 C43 . . . . -0.3(3) ?
P2 C41 C42 C43 . . . . 179.29(17) ?
C41 C42 C43 C44 . . . . 1.1(3) ?
C42 C43 C44 C45 . . . . -0.5(3) ?
C43 C44 C45 C46 . . . . -1.0(3) ?
C42 C41 C46 C45 . . . . -1.2(3) ?
P2 C41 C46 C45 . . . . 179.25(16) ?
C44 C45 C46 C41 . . . . 1.9(3) ?
C56 C51 C52 C53 . . . . -55.5(3) ?
P2 C51 C52 C53 . . . . -179.2(2) ?
C51 C52 C53 C54 . . . . 58.0(3) ?
C52 C53 C54 C55 . . . . -58.9(3) ?
C53 C54 C55 C56 . . . . 58.1(3) ?
C52 C51 C56 C55 . . . . 53.9(3) ?
P2 C51 C56 C55 . . . . 176.25(16) ?
C54 C55 C56 C51 . . . . -55.7(3) ?
C66 C61 C62 C63 . . . . 54.3(3) ?
P2 C61 C62 C63 . . . . 178.13(16) ?
C61 C62 C63 C64 . . . . -54.7(3) ?
C62 C63 C64 C65 . . . . 54.9(3) ?
C63 C64 C65 C66 . . . . -55.4(3) ?
C64 C65 C66 C61 . . . . 55.6(3) ?
C62 C61 C66 C65 . . . . -55.0(3) ?
P2 C61 C66 C65 . . . . 176.6(2) ?
C16 C11 P1 C31 . . . . -39.6(2) ?
C12 C11 P1 C31 . . . . 147.89(18) ?
C16 C11 P1 C21 . . . . 71.9(2) ?
C12 C11 P1 C21 . . . . -100.68(19) ?
C16 C11 P1 Ag . . . . -164.03(18) ?
C12 C11 P1 Ag . . . . 23.4(2) ?
C36 C31 P1 C11 . . . . -66.86(17) ?
C32 C31 P1 C11 . . . . 170.20(16) ?
C36 C31 P1 C21 . . . . -176.26(15) ?
C32 C31 P1 C21 . . . . 60.80(18) ?
C36 C31 P1 Ag . . . . 55.19(15) ?
C32 C31 P1 Ag . . . . -67.75(17) ?
C26 C21 P1 C11 . . . . -59.47(17) ?
C22 C21 P1 C11 . . . . 69.78(18) ?
C26 C21 P1 C31 . . . . 50.86(18) ?
C22 C21 P1 C31 . . . . -179.89(16) ?
C26 C21 P1 Ag . . . . 179.19(13) ?
C22 C21 P1 Ag . . . . -51.57(17) ?
C46 C41 P2 C51 . . . . -37.0(2) ?
C42 C41 P2 C51 . . . . 143.49(17) ?
C46 C41 P2 C61 . . . . 76.23(19) ?
C42 C41 P2 C61 . . . . -103.30(17) ?
C46 C41 P2 Ag . . . . -160.60(15) ?
C42 C41 P2 Ag . . . . 19.87(18) ?
C52 C51 P2 C41 . . . . -62.04(19) ?
C56 C51 P2 C41 . . . . 174.61(16) ?
C52 C51 P2 C61 . . . . -173.38(17) ?
C56 C51 P2 C61 . . . . 63.27(18) ?
C52 C51 P2 Ag . . . . 61.67(18) ?
C56 C51 P2 Ag . . . . -61.68(17) ?
C62 C61 P2 C41 . . . . -65.12(17) ?
C66 C61 P2 C41 . . . . 60.08(18) ?
C62 C61 P2 C51 . . . . 45.45(18) ?
C66 C61 P2 C51 . . . . 170.66(16) ?
C62 C61 P2 Ag . . . . 171.00(13) ?
C66 C61 P2 Ag . . . . -63.80(17) ?
C11 P1 Ag P2 . . . . 100.90(8) ?
C31 P1 Ag P2 . . . . -17.80(9) ?
C21 P1 Ag P2 . . . . -141.85(8) ?
C41 P2 Ag P1 . . . . 29.07(9) ?
C51 P2 Ag P1 . . . . -89.33(8) ?
C61 P2 Ag P1 . . . . 148.22(7) ?
