#------------------------------------------------------------------------------
#$Date: 2016-02-16 22:30:59 +0200 (Tue, 16 Feb 2016) $
#$Revision: 176467 $
#$URL: svn://www.crystallography.net/cod/cif/4/33/70/4337028.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_4337028
loop_
_publ_author_name
'Adrien Kaeser'
'Béatrice Delavaux-Nicot'
'Carine Duhayon'
'Yannick Coppel'
'Jean-François Nierengarten'
_publ_contact_author_address
; 
Laboratoire de Chimie de Coordination du CNRS
(UPR 8241), Université de Toulouse (UPS, INP), 
205 Route de Narbonne, 31077 Toulouse, France
;
_publ_contact_author_email       nierengarten@unistra.fr
_publ_contact_author_name        'Adrien Kaeser'
_publ_contact_author_phone       '+33 (0)3 68 85 27 63'
_publ_section_title
;
 Heteroleptic Silver(I) Complexes Prepared from Phenanthroline and
 Bis-phosphine Ligands
;
_journal_name_full               'Inorganic Chemistry'
_journal_page_first              14343
_journal_page_last               14354
_journal_paper_doi               10.1021/ic402342y
_journal_volume                  52
_journal_year                    2013
_chemical_formula_moiety
'C51H42Ag2N4P2, 0.5(CH2Cl2), 2(BF4), 2.25(H2O)'
_chemical_formula_sum            'C51.5 H47.5 Ag2 B2 Cl F8 N4 O2.25 P2'
_chemical_formula_weight         1245.21
_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
_audit_creation_date             07-04-19
_audit_creation_method           CRYSTALS_ver_12.84
_cell_angle_alpha                100.343(4)
_cell_angle_beta                 92.211(4)
_cell_angle_gamma                113.308(5)
_cell_formula_units_Z            2
_cell_length_a                   11.2083(6)
_cell_length_b                   12.6121(6)
_cell_length_c                   20.8920(10)
_cell_measurement_reflns_used    6535
_cell_measurement_temperature    160
_cell_measurement_theta_max      29
_cell_measurement_theta_min      3
_cell_volume                     2648.5(3)
_computing_cell_refinement       'CrysAlis RED, (Oxford Diffraction, 2002)'
_computing_data_collection       'Xcalibur, (Oxford Diffraction, 2002)'
_computing_data_reduction        'CrysAlis RED, (Oxford Diffraction, 2002)'
_computing_molecular_graphics    'CAMERON (Watkin et al., 1996)'
_computing_publication_material  'CRYSTALS (Betteridge et al., 2003)'
_computing_structure_refinement  'CRYSTALS (Betteridge et al., 2003)'
_computing_structure_solution    'SIR92 (Altomare et al., 1994)'
_diffrn_ambient_temperature      160
_diffrn_measured_fraction_theta_full 0.995
_diffrn_measured_fraction_theta_max 0.988
_diffrn_measurement_device_type  'Oxford Diffraction XCALIBUR'
_diffrn_measurement_method       'φ & ω scans'
_diffrn_radiation_monochromator  graphite
_diffrn_radiation_type           'Mo K\a'
_diffrn_radiation_wavelength     0.71073
_diffrn_reflns_av_R_equivalents  0.036
_diffrn_reflns_limit_h_max       13
_diffrn_reflns_limit_h_min       -15
_diffrn_reflns_limit_k_max       15
_diffrn_reflns_limit_k_min       -17
_diffrn_reflns_limit_l_max       28
_diffrn_reflns_limit_l_min       -28
_diffrn_reflns_number            25370
_diffrn_reflns_theta_full        27.355
_diffrn_reflns_theta_max         29.101
_diffrn_reflns_theta_min         2.775
_diffrn_standards_number         0
_exptl_absorpt_coefficient_mu    0.922
_exptl_absorpt_correction_T_max  0.88
_exptl_absorpt_correction_T_min  0.71
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details
;
[c.f. r.h. blessing, acta cryst. (1995), a51, 33-38]
;
_exptl_crystal_colour            colorless
_exptl_crystal_density_diffrn    1.56
_exptl_crystal_description       planar
_exptl_crystal_F_000             1242
_exptl_crystal_size_max          0.35
_exptl_crystal_size_mid          0.30
_exptl_crystal_size_min          0.15
_refine_diff_density_max         2.52
_refine_diff_density_min         -2.13
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   0.9505
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     357
_refine_ls_number_reflns         6528
_refine_ls_number_restraints     12
_refine_ls_R_factor_all          0.1588
_refine_ls_R_factor_gt           0.1035
_refine_ls_shift/su_max          0.000274
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
;
 Method, part 1, Chebychev polynomial, (Watkin, 1994, Prince, 1982) 
 [weight] = 1.0/[A₀*T₀(x)+A₁*T₁(x) ... +Aₙ₋₁]*Tₙ₋₁(x)] 
 where Ai are the Chebychev coefficients listed below and x= Fcalc/Fmax 
 Method = Robust Weighting (Prince, 1982) 
 W = [weight] * [1-(deltaF/6*sigmaF)²]² 
 Ai are: 
 420. 254. 265. 137. 
;
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_all         0.1632
_refine_ls_wR_factor_gt          0.1580
_refine_ls_wR_factor_ref         0.1580
_reflns_limit_h_max              15
_reflns_limit_h_min              -15
_reflns_limit_k_max              16
_reflns_limit_k_min              -17
_reflns_limit_l_max              28
_reflns_limit_l_min              0
_reflns_number_gt                6528
_reflns_number_total             14046
_reflns_threshold_expression     I>3.0σ(I)
_cod_data_source_file            ic402342y_si_007.cif
_cod_data_source_block           CRYSTALS_cif
_cod_original_sg_symbol_H-M      'P -1 '
_cod_original_formula_sum        'C51.50 H47.5 Ag2 B2 Cl1 F8 N4 O2.25 P2'
_cod_database_code               4337028
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_occupancy
_atom_site_adp_type
_atom_site_refinement_flags_posn
Ag1 Ag 0.78160(11) 0.29063(8) 0.38542(5) 0.0421 1.0000 Uani .
Ag2 Ag 0.33717(9) 0.18762(8) 0.11105(5) 0.0306 1.0000 Uani .
P1 P 0.7409(3) 0.1324(2) 0.29829(14) 0.0260 1.0000 Uani .
P2 P 0.5548(3) 0.3256(2) 0.12077(13) 0.0226 1.0000 Uani .
N1 N 0.7444(10) 0.3366(9) 0.4910(5) 0.0402 1.0000 Uani .
N2 N 0.8773(10) 0.4904(9) 0.4162(5) 0.0389 1.0000 Uani .
N3 N 0.2025(9) -0.0046(8) 0.1148(5) 0.0343 1.0000 Uani .
N4 N 0.1255(9) 0.1644(8) 0.0905(5) 0.0329 1.0000 Uani .
C1 C 0.6743(11) 0.2690(9) 0.1419(5) 0.0268 1.0000 Uani .
C2 C 0.6587(11) 0.2282(10) 0.2061(6) 0.0305 1.0000 Uani .
C3 C 0.7491(10) 0.1708(10) 0.2177(5) 0.0272 1.0000 Uani .
C4 C 0.6722(14) 0.2624(13) 0.5265(7) 0.0501 1.0000 Uani .
C5 C 0.6652(16) 0.3014(15) 0.5926(8) 0.0687 1.0000 Uani .
C6 C 0.7275(15) 0.4161(14) 0.6205(8) 0.0631 1.0000 Uani .
C7 C 0.7999(14) 0.4953(13) 0.5866(7) 0.0518 1.0000 Uani .
C8 C 0.8038(11) 0.4528(10) 0.5188(6) 0.0333 1.0000 Uani .
C9 C 0.8698(12) 0.5319(10) 0.4804(6) 0.0350 1.0000 Uani .
C10 C 0.9315(14) 0.6564(12) 0.5078(7) 0.0476 1.0000 Uani .
C11 C 0.9985(15) 0.7286(14) 0.4662(8) 0.0624 1.0000 Uani .
C12 C 0.9990(15) 0.6885(13) 0.4051(8) 0.0577 1.0000 Uani .
C13 C 0.9396(12) 0.5641(11) 0.3792(6) 0.0395 1.0000 Uani .
C14 C 0.8707(16) 0.6247(14) 0.6105(8) 0.0666 1.0000 Uani .
C15 C 0.9275(16) 0.6941(15) 0.5749(8) 0.0667 1.0000 Uani .
C16 C 0.8475(12) 0.0586(10) 0.3043(6) 0.0336 1.0000 Uani .
C17 C 0.9429(13) 0.0637(12) 0.2651(7) 0.0471 1.0000 Uani .
C18 C 1.0313(15) 0.0109(13) 0.2756(7) 0.0558 1.0000 Uani .
C19 C 1.0164(15) -0.0451(13) 0.3249(7) 0.0558 1.0000 Uani .
C20 C 0.9257(16) -0.0533(14) 0.3649(8) 0.0669 1.0000 Uani .
C21 C 0.8375(14) -0.0017(12) 0.3555(7) 0.0506 1.0000 Uani .
C22 C 0.5801(10) 0.0168(9) 0.2913(5) 0.0207 1.0000 Uani .
C23 C 0.4911(14) 0.0289(12) 0.3326(7) 0.0495 1.0000 Uani .
C24 C 0.3664(16) -0.0569(14) 0.3268(8) 0.0633 1.0000 Uani .
C25 C 0.3285(15) -0.1576(13) 0.2772(7) 0.0530 1.0000 Uani .
C26 C 0.4127(11) -0.1708(10) 0.2361(6) 0.0332 1.0000 Uani .
C27 C 0.5394(12) -0.0863(10) 0.2424(6) 0.0362 1.0000 Uani .
C28 C 0.2388(13) -0.0892(11) 0.1257(7) 0.0490 1.0000 Uani .
C29 C 0.1494(15) -0.2018(11) 0.1261(7) 0.0585 1.0000 Uani .
C30 C 0.0210(13) -0.2310(11) 0.1143(7) 0.0460 1.0000 Uani .
C31 C -0.0217(11) -0.1468(10) 0.1024(6) 0.0350 1.0000 Uani .
C32 C 0.0739(11) -0.0341(10) 0.1031(5) 0.0290 1.0000 Uani .
C33 C 0.0329(11) 0.0544(9) 0.0887(5) 0.0245 1.0000 Uani .
C34 C -0.1014(11) 0.0276(9) 0.0744(5) 0.0288 1.0000 Uani .
C35 C -0.1363(12) 0.1147(10) 0.0587(6) 0.0343 1.0000 Uani .
C36 C -0.0442(12) 0.2229(11) 0.0613(6) 0.0396 1.0000 Uani .
C37 C 0.0874(13) 0.2456(12) 0.0767(6) 0.0456 1.0000 Uani .
C38 C -0.1597(13) -0.1685(12) 0.0906(6) 0.0409 1.0000 Uani .
C39 C -0.1952(13) -0.0879(11) 0.0750(6) 0.0416 1.0000 Uani .
C40 C 0.6016(11) 0.3717(9) 0.0449(5) 0.0273 1.0000 Uani .
C41 C 0.7308(12) 0.4239(10) 0.0333(6) 0.0378 1.0000 Uani .
C42 C 0.7631(14) 0.4528(11) -0.0259(6) 0.0450 1.0000 Uani .
C43 C 0.6650(12) 0.4320(10) -0.0748(6) 0.0373 1.0000 Uani .
C44 C 0.5349(13) 0.3823(11) -0.0640(6) 0.0410 1.0000 Uani .
C45 C 0.5054(11) 0.3515(9) -0.0051(5) 0.0286 1.0000 Uani .
C46 C 0.5970(11) 0.4634(10) 0.1802(5) 0.0299 1.0000 Uani .
C47 C 0.4941(12) 0.4918(10) 0.2014(6) 0.0360 1.0000 Uani .
C48 C 0.5249(15) 0.6013(13) 0.2449(7) 0.0554 1.0000 Uani .
C49 C 0.6517(14) 0.6761(12) 0.2647(7) 0.0499 1.0000 Uani .
C50 C 0.7537(15) 0.6487(12) 0.2445(7) 0.0522 1.0000 Uani .
C51 C 0.7249(13) 0.5402(11) 0.2021(6) 0.0426 1.0000 Uani .
C52 C 0.659(4) 0.754(3) 0.5056(11) 0.111(15) 0.5000 Uiso D
Cl1 Cl 0.6600(11) 0.7026(10) 0.4271(5) 0.098(3) 0.5000 Uiso D
Cl2 Cl 0.723(3) 0.900(2) 0.5229(13) 0.245(11) 0.5000 Uiso D
B1 B 0.0633(15) 0.5143(14) 0.2061(8) 0.042(4) 1.0000 Uiso .
B2 B 0.520(3) 0.032(2) -0.0250(13) 0.030(6) 0.5000 Uiso .
B3 B 0.6802(18) 0.9180(15) 0.5022(8) 0.025(6) 0.5000 Uiso D
F1 F 0.1949(8) 0.5361(7) 0.2115(4) 0.066(2) 1.0000 Uiso .
F2 F 0.0155(8) 0.4909(7) 0.1408(4) 0.065(2) 1.0000 Uiso .
F3 F 0.0486(9) 0.6096(8) 0.2403(4) 0.070(2) 1.0000 Uiso .
F4 F -0.0054(10) 0.4188(9) 0.2324(5) 0.081(3) 1.0000 Uiso .
F5 F 0.4412(8) 0.0541(7) 0.0159(4) 0.056(2) 1.0000 Uiso .
F6 F 0.6319(13) 0.1363(12) -0.0134(6) 0.040(3) 0.5000 Uiso .
F7 F 0.4594(14) 0.0089(13) -0.0873(7) 0.050(4) 0.5000 Uiso .
F8 F 0.685(3) 0.838(2) 0.4478(11) 0.161(12) 0.5000 Uiso D
F9 F 0.634(2) 0.8584(19) 0.5511(10) 0.112(8) 0.5000 Uiso D
F10 F 0.804(2) 1.009(2) 0.5202(15) 0.197(15) 0.5000 Uiso D
F11 F 0.596(3) 0.963(3) 0.4810(15) 0.206(16) 0.5000 Uiso D
O1 O 0.3029(13) 0.2438(12) 0.2673(7) 0.101(4) 1.0000 Uiso .
O2 O 0.5325(9) 0.3776(8) 0.3503(5) 0.056(3) 1.0000 Uiso .
O3 O 0.5000 0.5000 0.5000 0.105(13) 0.5000 Uiso S
H11 H 0.7612 0.3310 0.1451 0.0350 1.0000 Uiso R
H12 H 0.6641 0.2020 0.1076 0.0351 1.0000 Uiso R
H21 H 0.6779 0.2956 0.2419 0.0391 1.0000 Uiso R
H22 H 0.5693 0.1717 0.2050 0.0390 1.0000 Uiso R
H31 H 0.8378 0.2254 0.2160 0.0323 1.0000 Uiso R
H32 H 0.7261 0.1002 0.1838 0.0321 1.0000 Uiso R
H41 H 0.6265 0.1833 0.5065 0.0610 1.0000 Uiso R
H51 H 0.6181 0.2472 0.6169 0.0831 1.0000 Uiso R
H61 H 0.7215 0.4417 0.6644 0.0761 1.0000 Uiso R
H111 H 1.0430 0.8091 0.4835 0.0751 1.0000 Uiso R
H121 H 1.0393 0.7393 0.3777 0.0700 1.0000 Uiso R
H131 H 0.9430 0.5340 0.3355 0.0479 1.0000 Uiso R
H141 H 0.8736 0.6547 0.6548 0.0801 1.0000 Uiso R
H151 H 0.9683 0.7745 0.5930 0.0810 1.0000 Uiso R
H171 H 0.9500 0.1029 0.2307 0.0560 1.0000 Uiso R
H181 H 1.0968 0.0164 0.2484 0.0670 1.0000 Uiso R
H191 H 1.0737 -0.0805 0.3314 0.0672 1.0000 Uiso R
H201 H 0.9206 -0.0920 0.3993 0.0800 1.0000 Uiso R
H211 H 0.7721 -0.0072 0.3824 0.0600 1.0000 Uiso R
H231 H 0.5171 0.0959 0.3661 0.0601 1.0000 Uiso R
H241 H 0.3065 -0.0469 0.3542 0.0772 1.0000 Uiso R
H251 H 0.2440 -0.2163 0.2726 0.0642 1.0000 Uiso R
H261 H 0.3855 -0.2388 0.2032 0.0412 1.0000 Uiso R
H271 H 0.5974 -0.0970 0.2139 0.0441 1.0000 Uiso R
H281 H 0.3278 -0.0709 0.1338 0.0541 1.0000 Uiso R
H291 H 0.1794 -0.2579 0.1335 0.0650 1.0000 Uiso R
H301 H -0.0384 -0.3072 0.1147 0.0511 1.0000 Uiso R
H351 H -0.2239 0.0969 0.0463 0.0411 1.0000 Uiso R
H361 H -0.0672 0.2827 0.0523 0.0470 1.0000 Uiso R
H371 H 0.1516 0.3209 0.0784 0.0539 1.0000 Uiso R
H381 H -0.2234 -0.2421 0.0937 0.0491 1.0000 Uiso R
H391 H -0.2834 -0.1064 0.0645 0.0491 1.0000 Uiso R
H411 H 0.7964 0.4387 0.0665 0.0451 1.0000 Uiso R
H421 H 0.8505 0.4853 -0.0334 0.0530 1.0000 Uiso R
H431 H 0.6860 0.4516 -0.1150 0.0440 1.0000 Uiso R
H441 H 0.4686 0.3702 -0.0963 0.0481 1.0000 Uiso R
H451 H 0.4179 0.3156 0.0018 0.0330 1.0000 Uiso R
H471 H 0.4079 0.4391 0.1872 0.0458 1.0000 Uiso R
H481 H 0.4576 0.6210 0.2600 0.0691 1.0000 Uiso R
H491 H 0.6711 0.7479 0.2935 0.0631 1.0000 Uiso R
H501 H 0.8400 0.7022 0.2583 0.0650 1.0000 Uiso R
H511 H 0.7927 0.5197 0.1889 0.0539 1.0000 Uiso R
H521 H 0.7069 0.7261 0.5317 0.1244 0.5000 Uiso R
H522 H 0.5711 0.7266 0.5149 0.1244 0.5000 Uiso R
loop_
_atom_type_symbol
_atom_type_scat_dispersion_real
_atom_type_scat_dispersion_imag
_atom_type_scat_Cromer_Mann_a1
_atom_type_scat_Cromer_Mann_b1
_atom_type_scat_Cromer_Mann_a2
_atom_type_scat_Cromer_Mann_b2
_atom_type_scat_Cromer_Mann_a3
_atom_type_scat_Cromer_Mann_b3
_atom_type_scat_Cromer_Mann_a4
_atom_type_scat_Cromer_Mann_b4
_atom_type_scat_Cromer_Mann_c
_atom_type_scat_source
C 0.0033 0.0016 2.3100 20.8439 1.0200 10.2075 1.5886 0.5687 0.8650 51.6512
0.2156 'International Tables Vol C 4.2.6.8 and 6.1.1.4'
H 0.0000 0.0000 0.4930 10.5109 0.3229 26.1257 0.1402 3.1424 0.0408 57.7998
0.0030 'International Tables Vol C 4.2.6.8 and 6.1.1.4'
N 0.0061 0.0033 12.2126 0.0057 3.1322 9.8933 2.0125 28.9975 1.1663 0.5826
-11.5290 'International Tables Vol C 4.2.6.8 and 6.1.1.4'
O 0.0106 0.0060 3.0485 13.2771 2.2868 5.7011 1.5463 0.3239 0.8670 32.9089
0.2508 'International Tables Vol C 4.2.6.8 and 6.1.1.4'
P 0.1023 0.0942 6.4345 1.9067 4.1791 27.1570 1.7800 0.5260 1.4908 68.1645
1.1149 'International Tables Vol C 4.2.6.8 and 6.1.1.4'
Ag -0.8971 1.1015 19.2808 0.6446 16.6885 7.4726 4.8045 24.6605 1.0463 99.8156
5.1790 'International Tables Vol C 4.2.6.8 and 6.1.1.4'
B 0.0013 0.0007 2.0545 23.2185 1.3326 1.0210 1.0979 60.3498 0.7068 0.1403
-0.1932 'International Tables Vol C 4.2.6.8 and 6.1.1.4'
F 0.0171 0.0103 3.5392 10.2825 2.6412 4.2944 1.5170 0.2615 1.0243 26.1476
0.2776 'International Tables Vol C 4.2.6.8 and 6.1.1.4'
Cl 0.1484 0.1585 11.4604 0.0104 7.1964 1.1662 6.2556 18.5194 1.6455 47.7784
-9.5574 'International Tables Vol C 4.2.6.8 and 6.1.1.4'
loop_
_geom_angle_atom_site_label_1
_geom_angle_site_symmetry_1
_geom_angle_atom_site_label_2
_geom_angle_atom_site_label_3
_geom_angle_site_symmetry_3
_geom_angle
_geom_angle_publ_flag
P1 . Ag1 N1 . 142.8(3) yes
P1 . Ag1 N2 . 143.6(3) yes
N1 . Ag1 N2 . 73.6(4) yes
P2 . Ag2 N3 . 145.0(3) yes
P2 . Ag2 N4 . 142.7(3) yes
N3 . Ag2 N4 . 72.3(3) yes
Ag1 . P1 C3 . 114.2(4) yes
Ag1 . P1 C16 . 113.8(4) yes
C3 . P1 C16 . 107.0(5) yes
Ag1 . P1 C22 . 113.3(3) yes
C3 . P1 C22 . 103.6(5) yes
C16 . P1 C22 . 103.8(5) yes
Ag2 . P2 C1 . 113.7(4) yes
Ag2 . P2 C40 . 113.1(4) yes
C1 . P2 C40 . 103.1(5) yes
Ag2 . P2 C46 . 115.8(4) yes
C1 . P2 C46 . 105.7(5) yes
C40 . P2 C46 . 104.2(5) yes
Ag1 . N1 C4 . 127.2(9) yes
Ag1 . N1 C8 . 114.1(8) yes
C4 . N1 C8 . 118.6(11) yes
Ag1 . N2 C9 . 113.4(8) yes
Ag1 . N2 C13 . 126.2(9) yes
C9 . N2 C13 . 120.4(11) yes
Ag2 . N3 C28 . 127.3(8) yes
Ag2 . N3 C32 . 115.7(7) yes
C28 . N3 C32 . 117.0(10) yes
Ag2 . N4 C33 . 115.4(7) yes
Ag2 . N4 C37 . 126.0(8) yes
C33 . N4 C37 . 118.4(10) yes
P2 . C1 C2 . 113.4(8) yes
P2 . C1 H11 . 108.6 no
C2 . C1 H11 . 108.5 no
P2 . C1 H12 . 108.6 no
C2 . C1 H12 . 107.9 no
H11 . C1 H12 . 109.9 no
C1 . C2 C3 . 111.3(9) yes
C1 . C2 H21 . 109.4 no
C3 . C2 H21 . 108.7 no
C1 . C2 H22 . 109.1 no
C3 . C2 H22 . 108.8 no
H21 . C2 H22 . 109.4 no
C2 . C3 P1 . 111.7(8) yes
C2 . C3 H31 . 108.8 no
P1 . C3 H31 . 108.0 no
C2 . C3 H32 . 109.0 no
P1 . C3 H32 . 109.7 no
H31 . C3 H32 . 109.7 no
N1 . C4 C5 . 121.4(14) yes
N1 . C4 H41 . 118.7 no
C5 . C4 H41 . 119.9 no
C4 . C5 C6 . 119.7(16) yes
C4 . C5 H51 . 119.7 no
C6 . C5 H51 . 120.6 no
C5 . C6 C7 . 121.5(16) yes
C5 . C6 H61 . 119.3 no
C7 . C6 H61 . 119.2 no
C6 . C7 C8 . 117.5(13) yes
C6 . C7 C14 . 127.3(14) yes
C8 . C7 C14 . 115.2(13) yes
C7 . C8 N1 . 121.2(11) yes
C7 . C8 C9 . 119.9(11) yes
N1 . C8 C9 . 118.9(11) yes
C8 . C9 N2 . 119.7(11) yes
C8 . C9 C10 . 120.5(12) yes
N2 . C9 C10 . 119.8(11) yes
C9 . C10 C11 . 116.5(13) yes
C9 . C10 C15 . 117.7(13) yes
C11 . C10 C15 . 125.6(14) yes
C10 . C11 C12 . 122.7(16) yes
C10 . C11 H111 . 118.1 no
C12 . C11 H111 . 119.3 no
C11 . C12 C13 . 119.7(15) yes
C11 . C12 H121 . 120.9 no
C13 . C12 H121 . 119.4 no
C12 . C13 N2 . 120.7(13) yes
C12 . C13 H131 . 120.3 no
N2 . C13 H131 . 119.0 no
C7 . C14 C15 . 123.8(17) yes
C7 . C14 H141 . 117.3 no
C15 . C14 H141 . 118.9 no
C10 . C15 C14 . 122.9(17) yes
C10 . C15 H151 . 117.9 no
C14 . C15 H151 . 119.2 no
P1 . C16 C17 . 124.2(10) yes
P1 . C16 C21 . 117.7(10) yes
C17 . C16 C21 . 117.9(12) yes
C16 . C17 C18 . 121.6(13) yes
C16 . C17 H171 . 118.6 no
C18 . C17 H171 . 119.8 no
C17 . C18 C19 . 117.5(15) yes
C17 . C18 H181 . 120.0 no
C19 . C18 H181 . 122.5 no
C18 . C19 C20 . 124.0(16) yes
C18 . C19 H191 . 117.4 no
C20 . C19 H191 . 118.6 no
C19 . C20 C21 . 119.5(16) yes
C19 . C20 H201 . 120.7 no
C21 . C20 H201 . 119.9 no
C20 . C21 C16 . 119.6(14) yes
C20 . C21 H211 . 121.3 no
C16 . C21 H211 . 119.1 no
P1 . C22 C23 . 120.8(9) yes
P1 . C22 C27 . 121.2(8) yes
C23 . C22 C27 . 118.0(11) yes
C22 . C23 C24 . 121.7(13) yes
C22 . C23 H231 . 119.1 no
C24 . C23 H231 . 119.1 no
C23 . C24 C25 . 118.9(15) yes
C23 . C24 H241 . 120.9 no
C25 . C24 H241 . 120.1 no
C24 . C25 C26 . 120.5(14) yes
C24 . C25 H251 . 119.7 no
C26 . C25 H251 . 119.8 no
C25 . C26 C27 . 121.1(12) yes
C25 . C26 H261 . 119.2 no
C27 . C26 H261 . 119.7 no
C22 . C27 C26 . 119.8(11) yes
C22 . C27 H271 . 119.8 no
C26 . C27 H271 . 120.4 no
N3 . C28 C29 . 122.3(13) yes
N3 . C28 H281 . 118.6 no
C29 . C28 H281 . 119.1 no
C28 . C29 C30 . 120.5(13) yes
C28 . C29 H291 . 119.2 no
C30 . C29 H291 . 120.3 no
C29 . C30 C31 . 119.4(12) yes
C29 . C30 H301 . 119.9 no
C31 . C30 H301 . 120.7 no
C30 . C31 C32 . 117.3(11) yes
C30 . C31 C38 . 123.8(11) yes
C32 . C31 C38 . 118.9(11) yes
C31 . C32 N3 . 123.5(11) yes
C31 . C32 C33 . 118.6(10) yes
N3 . C32 C33 . 117.9(10) yes
C32 . C33 N4 . 118.6(10) yes
C32 . C33 C34 . 120.4(10) yes
N4 . C33 C34 . 121.0(10) yes
C33 . C34 C35 . 118.4(10) yes
C33 . C34 C39 . 118.9(11) yes
C35 . C34 C39 . 122.7(11) yes
C34 . C35 C36 . 119.9(12) yes
C34 . C35 H351 . 119.5 no
C36 . C35 H351 . 120.6 no
C35 . C36 C37 . 119.4(12) yes
C35 . C36 H361 . 120.4 no
C37 . C36 H361 . 120.2 no
C36 . C37 N4 . 122.7(13) yes
C36 . C37 H371 . 119.5 no
N4 . C37 H371 . 117.8 no
C31 . C38 C39 . 121.4(12) yes
C31 . C38 H381 . 118.7 no
C39 . C38 H381 . 119.9 no
C34 . C39 C38 . 121.5(13) yes
C34 . C39 H391 . 119.1 no
C38 . C39 H391 . 119.4 no
P2 . C40 C41 . 122.9(9) yes
P2 . C40 C45 . 119.5(8) yes
C41 . C40 C45 . 117.6(10) yes
C40 . C41 C42 . 121.5(12) yes
C40 . C41 H411 . 118.7 no
C42 . C41 H411 . 119.8 no
C41 . C42 C43 . 119.5(13) yes
C41 . C42 H421 . 120.4 no
C43 . C42 H421 . 120.0 no
C42 . C43 C44 . 120.1(12) yes
C42 . C43 H431 . 120.2 no
C44 . C43 H431 . 119.7 no
C43 . C44 C45 . 119.1(12) yes
C43 . C44 H441 . 120.5 no
C45 . C44 H441 . 120.5 no
C40 . C45 C44 . 122.1(11) yes
C40 . C45 H451 . 118.5 no
C44 . C45 H451 . 119.4 no
P2 . C46 C47 . 117.6(8) yes
P2 . C46 C51 . 122.0(9) yes
C47 . C46 C51 . 120.4(11) yes
C46 . C47 C48 . 118.5(12) yes
C46 . C47 H471 . 120.2 no
C48 . C47 H471 . 121.3 no
C47 . C48 C49 . 119.7(14) yes
C47 . C48 H481 . 119.6 no
C49 . C48 H481 . 120.7 no
C48 . C49 C50 . 122.2(14) yes
C48 . C49 H491 . 119.2 no
C50 . C49 H491 . 118.6 no
C49 . C50 C51 . 118.7(13) yes
C49 . C50 H501 . 120.5 no
C51 . C50 H501 . 120.8 no
C50 . C51 C46 . 120.4(13) yes
C50 . C51 H511 . 119.7 no
C46 . C51 H511 . 119.9 no
Cl1 . C52 Cl2 . 111(2) yes
Cl1 . C52 H521 . 109.6 no
Cl2 . C52 H521 . 110.1 no
Cl1 . C52 H522 . 108.3 no
Cl2 . C52 H522 . 108.2 no
H521 . C52 H522 . 109.5 no
F1 . B1 F2 . 109.6(12) yes
F1 . B1 F3 . 109.1(12) yes
F2 . B1 F3 . 110.9(12) yes
F1 . B1 F4 . 109.9(12) yes
F2 . B1 F4 . 109.1(12) yes
F3 . B1 F4 . 108.2(12) yes
F5 2_655 B2 B2 2_655 57.2(18) yes
F5 2_655 B2 F5 . 116.4(20) yes
B2 2_655 B2 F5 . 59.2(19) yes
F5 2_655 B2 F6 . 106.8(20) yes
B2 2_655 B2 F6 . 121(3) yes
F5 . B2 F6 . 104.4(19) yes
F5 2_655 B2 F7 . 111.6(20) yes
B2 2_655 B2 F7 . 129(3) yes
F5 . B2 F7 . 107(2) yes
F6 . B2 F7 . 110.6(20) yes
F8 . B3 F9 . 108.9(14) yes
F8 . B3 F10 . 108.7(15) yes
F9 . B3 F10 . 113.5(15) yes
F8 . B3 F11 . 105.6(15) yes
F9 . B3 F11 . 111.1(15) yes
F10 . B3 F11 . 108.8(15) yes
B2 2_655 F5 B2 . 63.6(20) yes
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
Ag1 P1 . 2.327(3) yes
Ag1 N1 . 2.275(10) yes
Ag1 N2 . 2.267(10) yes
Ag2 P2 . 2.344(3) yes
Ag2 N3 . 2.312(9) yes
Ag2 N4 . 2.286(9) yes
P1 C3 . 1.829(11) yes
P1 C16 . 1.794(12) yes
P1 C22 . 1.794(10) yes
P2 C1 . 1.823(11) yes
P2 C40 . 1.812(11) yes
P2 C46 . 1.821(11) yes
N1 C4 . 1.333(16) yes
N1 C8 . 1.349(14) yes
N2 C9 . 1.369(15) yes
N2 C13 . 1.317(15) yes
N3 C28 . 1.333(15) yes
N3 C32 . 1.339(14) yes
N4 C33 . 1.358(14) yes
N4 C37 . 1.325(16) yes
C1 C2 . 1.513(15) yes
C1 H11 . 0.968 no
C1 H12 . 0.970 no
C2 C3 . 1.496(15) yes
C2 H21 . 0.970 no
C2 H22 . 0.969 no
C3 H31 . 0.966 no
C3 H32 . 0.969 no
C4 C5 . 1.40(2) yes
C4 H41 . 0.928 no
C5 C6 . 1.34(2) yes
C5 H51 . 0.928 no
C6 C7 . 1.347(19) yes
C6 H61 . 0.930 no
C7 C8 . 1.432(17) yes
C7 C14 . 1.48(2) yes
C8 C9 . 1.390(16) yes
C9 C10 . 1.435(17) yes
C10 C11 . 1.39(2) yes
C10 C15 . 1.41(2) yes
C11 C12 . 1.287(19) yes
C11 H111 . 0.929 no
C12 C13 . 1.427(18) yes
C12 H121 . 0.930 no
C13 H131 . 0.933 no
C14 C15 . 1.25(2) yes
C14 H141 . 0.929 no
C15 H151 . 0.929 no
C16 C17 . 1.360(17) yes
C16 C21 . 1.404(17) yes
C17 C18 . 1.426(19) yes
C17 H171 . 0.932 no
C18 C19 . 1.330(19) yes
C18 H181 . 0.934 no
C19 C20 . 1.32(2) yes
C19 H191 . 0.934 no
C20 C21 . 1.41(2) yes
C20 H201 . 0.929 no
C21 H211 . 0.929 no
C22 C23 . 1.379(16) yes
C22 C27 . 1.401(14) yes
C23 C24 . 1.372(19) yes
C23 H231 . 0.931 no
C24 C25 . 1.390(19) yes
C24 H241 . 0.931 no
C25 C26 . 1.338(17) yes
C25 H251 . 0.932 no
C26 C27 . 1.381(16) yes
C26 H261 . 0.930 no
C27 H271 . 0.931 no
C28 C29 . 1.379(17) yes
C28 H281 . 0.932 no
C29 C30 . 1.337(19) yes
C29 H291 . 0.928 no
C30 C31 . 1.380(17) yes
C30 H301 . 0.929 no
C31 C32 . 1.398(15) yes
C31 C38 . 1.463(17) yes
C32 C33 . 1.437(16) yes
C33 C34 . 1.413(15) yes
C34 C35 . 1.386(15) yes
C34 C39 . 1.423(16) yes
C35 C36 . 1.337(16) yes
C35 H351 . 0.931 no
C36 C37 . 1.399(17) yes
C36 H361 . 0.932 no
C37 H371 . 0.931 no
C38 C39 . 1.314(17) yes
C38 H381 . 0.936 no
C39 H391 . 0.929 no
C40 C41 . 1.385(16) yes
C40 C45 . 1.386(15) yes
C41 C42 . 1.373(17) yes
C41 H411 . 0.929 no
C42 C43 . 1.382(17) yes
C42 H421 . 0.931 no
C43 C44 . 1.387(17) yes
C43 H431 . 0.930 no
C44 C45 . 1.369(16) yes
C44 H441 . 0.929 no
C45 H451 . 0.933 no
C46 C47 . 1.401(16) yes
C46 C51 . 1.376(16) yes
C47 C48 . 1.415(17) yes
C47 H471 . 0.929 no
C48 C49 . 1.355(18) yes
C48 H481 . 0.932 no
C49 C50 . 1.379(19) yes
C49 H491 . 0.931 no
C50 C51 . 1.398(17) yes
C50 H501 . 0.931 no
C51 H511 . 0.932 no
C52 Cl1 . 1.655(18) yes
C52 Cl2 . 1.652(18) yes
C52 H521 . 0.950 no
C52 H522 . 0.950 no
B1 F1 . 1.385(17) yes
B1 F2 . 1.380(17) yes
B1 F3 . 1.357(17) yes
B1 F4 . 1.372(17) yes
B2 F5 2_655 1.36(3) yes
B2 B2 2_655 1.42(5) yes
B2 F5 . 1.33(3) yes
B2 F6 . 1.38(3) yes
B2 F7 . 1.37(3) yes
B3 F8 . 1.396(10) yes
B3 F9 . 1.374(10) yes
B3 F10 . 1.386(10) yes
B3 F11 . 1.377(10) yes
