#------------------------------------------------------------------------------
#$Date: 2016-03-23 22:14:35 +0200 (Wed, 23 Mar 2016) $
#$Revision: 179473 $
#$URL: svn://www.crystallography.net/cod/cif/4/33/70/4337025.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_4337025
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         'C78 H68 Ag2 N4 P4, 2(B F4), 2(C H2 Cl2) '
_chemical_formula_sum            'C80 H72 Ag2 B2 Cl4 F8 N4 P4'
_chemical_formula_weight         1744.53
_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             07-04-02
_audit_creation_method           CRYSTALS_ver_12.84
_cell_angle_alpha                104.345(4)
_cell_angle_beta                 98.500(5)
_cell_angle_gamma                112.360(4)
_cell_formula_units_Z            1
_cell_length_a                   11.2573(5)
_cell_length_b                   13.7792(6)
_cell_length_c                   14.4971(6)
_cell_measurement_reflns_used    3500
_cell_measurement_temperature    180
_cell_measurement_theta_max      24
_cell_measurement_theta_min      3
_cell_volume                     1939.90(18)
_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      180
_diffrn_measured_fraction_theta_full 0.995
_diffrn_measured_fraction_theta_max 0.989
_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  0.023
_diffrn_reflns_limit_h_max       12
_diffrn_reflns_limit_h_min       -15
_diffrn_reflns_limit_k_max       18
_diffrn_reflns_limit_k_min       -18
_diffrn_reflns_limit_l_max       19
_diffrn_reflns_limit_l_min       -19
_diffrn_reflns_number            18200
_diffrn_reflns_theta_full        26.739
_diffrn_reflns_theta_max         29.064
_diffrn_reflns_theta_min         3.013
_diffrn_standards_number         0
_exptl_absorpt_coefficient_mu    0.791
_exptl_absorpt_correction_T_max  0.87
_exptl_absorpt_correction_T_min  0.78
_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    1.493
_exptl_crystal_description       block
_exptl_crystal_F_000             884
_exptl_crystal_size_max          0.20
_exptl_crystal_size_mid          0.18
_exptl_crystal_size_min          0.18
_refine_diff_density_max         0.91
_refine_diff_density_min         -0.62
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.0997
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     469
_refine_ls_number_reflns         7401
_refine_ls_number_restraints     0
_refine_ls_R_factor_all          0.0436
_refine_ls_R_factor_gt           0.0303
_refine_ls_shift/su_max          0.001707
_refine_ls_structure_factor_coef F
_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: 
 2.97 -0.879 1.88 
;
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_all         0.0387
_refine_ls_wR_factor_gt          0.0344
_refine_ls_wR_factor_ref         0.0344
_reflns_limit_h_max              15
_reflns_limit_h_min              -15
_reflns_limit_k_max              18
_reflns_limit_k_min              -18
_reflns_limit_l_max              19
_reflns_limit_l_min              0
_reflns_number_gt                7401
_reflns_number_total             10255
_reflns_threshold_expression     I>3.0σ(I)
_cod_data_source_file            ic402342y_si_004.cif
_cod_data_source_block           CRYSTALS_cif
_cod_original_sg_symbol_H-M      'P -1 '
_cod_database_code               4337025
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 0.013321(17) 0.652513(14) 0.851334(13) 0.0226 1.0000 Uani .
P1 P -0.17264(5) 0.66365(4) 0.91241(4) 0.0190 1.0000 Uani .
P2 P 0.22920(5) 0.66778(4) 0.92691(4) 0.0197 1.0000 Uani .
N1 N -0.0903(2) 0.50378(17) 0.69684(15) 0.0320 1.0000 Uani .
N2 N 0.0360(2) 0.72589(17) 0.71755(15) 0.0304 1.0000 Uani .
C1 C -0.1857(2) 0.63022(18) 1.02609(17) 0.0250 1.0000 Uani .
C2 C -0.1699(2) 0.52269(19) 1.01976(17) 0.0259 1.0000 Uani .
C3 C -0.2418(2) 0.46361(17) 1.08569(17) 0.0234 1.0000 Uani .
C4 C -0.1543(3) 0.3970(2) 0.6856(2) 0.0454 1.0000 Uani .
C5 C -0.2310(4) 0.3145(3) 0.5946(3) 0.0593 1.0000 Uani .
C6 C -0.2402(3) 0.3442(3) 0.5118(2) 0.0557 1.0000 Uani .
C7 C -0.1734(3) 0.4561(3) 0.51965(19) 0.0403 1.0000 Uani .
C8 C -0.0993(2) 0.5343(2) 0.61455(17) 0.0296 1.0000 Uani .
C9 C -0.0305(2) 0.6508(2) 0.62580(17) 0.0294 1.0000 Uani .
C10 C -0.0356(3) 0.6834(3) 0.5406(2) 0.0393 1.0000 Uani .
C11 C 0.0330(3) 0.7965(3) 0.5534(2) 0.0502 1.0000 Uani .
C12 C 0.1004(4) 0.8712(3) 0.6459(3) 0.0496 1.0000 Uani .
C13 C 0.0983(3) 0.8325(2) 0.7265(2) 0.0400 1.0000 Uani .
C14 C -0.1750(3) 0.4935(3) 0.4357(2) 0.0537 1.0000 Uani .
C15 C -0.1093(3) 0.6012(3) 0.4457(2) 0.0514 1.0000 Uani .
C16 C -0.3313(2) 0.56408(18) 0.82276(18) 0.0263 1.0000 Uani .
C17 C -0.4366(3) 0.4891(2) 0.8464(2) 0.0407 1.0000 Uani .
C18 C -0.5535(3) 0.4134(3) 0.7750(3) 0.0567 1.0000 Uani .
C19 C -0.5665(3) 0.4123(3) 0.6793(3) 0.0651 1.0000 Uani .
C20 C -0.4644(4) 0.4858(3) 0.6533(3) 0.0645 1.0000 Uani .
C21 C -0.3456(3) 0.5624(3) 0.7255(2) 0.0433 1.0000 Uani .
C22 C -0.1840(2) 0.79552(17) 0.93578(16) 0.0209 1.0000 Uani .
C23 C -0.2454(2) 0.82972(18) 1.00537(17) 0.0261 1.0000 Uani .
C24 C -0.2523(3) 0.9306(2) 1.02041(19) 0.0317 1.0000 Uani .
C25 C -0.1969(3) 0.9979(2) 0.9668(2) 0.0348 1.0000 Uani .
C26 C -0.1368(3) 0.9650(2) 0.8969(2) 0.0326 1.0000 Uani .
C27 C -0.1303(2) 0.86356(19) 0.88139(17) 0.0271 1.0000 Uani .
C28 C 0.3540(2) 0.74236(18) 0.87148(16) 0.0213 1.0000 Uani .
C29 C 0.3851(3) 0.8538(2) 0.8876(2) 0.0397 1.0000 Uani .
C30 C 0.4684(3) 0.9132(2) 0.8394(2) 0.0427 1.0000 Uani .
C31 C 0.5208(2) 0.8610(2) 0.7744(2) 0.0343 1.0000 Uani .
C32 C 0.4936(3) 0.7519(2) 0.76001(19) 0.0331 1.0000 Uani .
C33 C 0.4102(2) 0.69129(19) 0.80837(17) 0.0260 1.0000 Uani .
C34 C 0.3025(2) 0.74399(17) 1.05888(16) 0.0214 1.0000 Uani .
C35 C 0.2271(2) 0.77824(19) 1.11562(17) 0.0265 1.0000 Uani .
C36 C 0.2811(3) 0.8355(2) 1.21679(19) 0.0348 1.0000 Uani .
C37 C 0.4101(3) 0.8572(2) 1.2616(2) 0.0384 1.0000 Uani .
C38 C 0.4856(3) 0.8219(2) 1.2061(2) 0.0365 1.0000 Uani .
C39 C 0.4327(2) 0.76659(19) 1.10565(19) 0.0297 1.0000 Uani .
C40 C 0.2301(4) 0.1000(4) 0.4529(4) 0.0764 1.0000 Uani .
Cl1 Cl 0.29376(15) 0.21237(12) 0.41112(11) 0.0988 1.0000 Uani .
Cl2 Cl 0.34300(19) 0.04394(17) 0.47967(11) 0.1261 1.0000 Uani .
B1 B 0.0898(3) 0.1691(3) 0.7158(2) 0.0351 1.0000 Uani .
F1 F -0.0106(2) 0.1175(2) 0.75419(18) 0.0705 1.0000 Uani .
F2 F 0.2066(2) 0.1741(2) 0.76770(17) 0.0690 1.0000 Uani .
F3 F 0.0632(3) 0.11065(19) 0.61753(14) 0.0692 1.0000 Uani .
F4 F 0.1051(3) 0.27618(17) 0.72739(16) 0.0678 1.0000 Uani .
H11 H -0.1144 0.6925 1.0814 0.0361 1.0000 Uiso R
H12 H -0.2716 0.6215 1.0372 0.0360 1.0000 Uiso R
H21 H -0.0740 0.5435 1.0416 0.0377 1.0000 Uiso R
H22 H -0.2062 0.4726 0.9516 0.0378 1.0000 Uiso R
H31 H -0.2024 0.5111 1.1557 0.0330 1.0000 Uiso R
H32 H -0.3360 0.4473 1.0659 0.0327 1.0000 Uiso R
H41 H -0.1469 0.3766 0.7441 0.0517 1.0000 Uiso R
H51 H -0.2759 0.2395 0.5902 0.0595 1.0000 Uiso R
H61 H -0.2918 0.2896 0.4495 0.0554 1.0000 Uiso R
H111 H 0.0314 0.8203 0.4976 0.0709 1.0000 Uiso R
H121 H 0.1473 0.9479 0.6558 0.0697 1.0000 Uiso R
H131 H 0.1440 0.8846 0.7917 0.0526 1.0000 Uiso R
H141 H -0.2242 0.4398 0.3721 0.0645 1.0000 Uiso R
H151 H -0.1111 0.6236 0.3896 0.0661 1.0000 Uiso R
H171 H -0.4274 0.4902 0.9142 0.0481 1.0000 Uiso R
H181 H -0.6259 0.3618 0.7916 0.0637 1.0000 Uiso R
H191 H -0.6463 0.3606 0.6299 0.0655 1.0000 Uiso R
H201 H -0.4727 0.4848 0.5885 0.0728 1.0000 Uiso R
H211 H -0.2746 0.6140 0.7085 0.0501 1.0000 Uiso R
H231 H -0.2824 0.7842 1.0429 0.0329 1.0000 Uiso R
H241 H -0.2945 0.9542 1.0679 0.0412 1.0000 Uiso R
H251 H -0.2007 1.0676 0.9775 0.0438 1.0000 Uiso R
H261 H -0.1001 1.0108 0.8601 0.0413 1.0000 Uiso R
H271 H -0.0882 0.8409 0.8337 0.0342 1.0000 Uiso R
H291 H 0.3490 0.8898 0.9320 0.0551 1.0000 Uiso R
H301 H 0.4890 0.9894 0.8512 0.0572 1.0000 Uiso R
H311 H 0.5762 0.9012 0.7401 0.0423 1.0000 Uiso R
H321 H 0.5310 0.7160 0.7168 0.0414 1.0000 Uiso R
H331 H 0.3924 0.6160 0.7968 0.0332 1.0000 Uiso R
H351 H 0.1378 0.7624 1.0846 0.0340 1.0000 Uiso R
H361 H 0.2301 0.8596 1.2559 0.0429 1.0000 Uiso R
H371 H 0.4475 0.8959 1.3314 0.0445 1.0000 Uiso R
H381 H 0.5729 0.8352 1.2367 0.0427 1.0000 Uiso R
H391 H 0.4851 0.7443 1.0681 0.0357 1.0000 Uiso R
H401 H 0.2080 0.1255 0.5140 0.0920 1.0000 Uiso R
H402 H 0.1517 0.0395 0.4004 0.0914 1.0000 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'
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'
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'
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'
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 P2 . 134.494(19) yes
P1 . Ag1 N1 . 104.20(5) yes
P2 . Ag1 N1 . 110.91(6) yes
P1 . Ag1 N2 . 110.94(5) yes
P2 . Ag1 N2 . 107.67(5) yes
N1 . Ag1 N2 . 70.16(7) yes
Ag1 . P1 C1 . 115.36(7) yes
Ag1 . P1 C16 . 110.74(8) yes
C1 . P1 C16 . 104.20(11) yes
Ag1 . P1 C22 . 116.99(7) yes
C1 . P1 C22 . 104.71(10) yes
C16 . P1 C22 . 103.44(10) yes
C3 2_567 P2 Ag1 . 116.30(8) yes
C3 2_567 P2 C28 . 104.93(9) yes
Ag1 . P2 C28 . 110.04(7) yes
C3 2_567 P2 C34 . 102.66(10) yes
Ag1 . P2 C34 . 118.13(7) yes
C28 . P2 C34 . 103.23(10) yes
Ag1 . N1 C4 . 125.57(18) yes
Ag1 . N1 C8 . 115.96(16) yes
C4 . N1 C8 . 117.8(2) yes
Ag1 . N2 C9 . 115.54(15) yes
Ag1 . N2 C13 . 125.90(18) yes
C9 . N2 C13 . 118.4(2) yes
P1 . C1 C2 . 110.85(15) yes
P1 . C1 H11 . 108.1 no
C2 . C1 H11 . 109.5 no
P1 . C1 H12 . 109.5 no
C2 . C1 H12 . 109.8 no
H11 . C1 H12 . 109.1 no
C1 . C2 C3 . 111.67(17) yes
C1 . C2 H21 . 107.5 no
C3 . C2 H21 . 109.5 no
C1 . C2 H22 . 109.5 no
C3 . C2 H22 . 109.0 no
H21 . C2 H22 . 109.7 no
C2 . C3 P2 2_567 111.32(14) yes
C2 . C3 H31 . 110.4 no
P2 2_567 C3 H31 . 108.0 no
C2 . C3 H32 . 108.7 no
P2 2_567 C3 H32 . 108.6 no
H31 . C3 H32 . 109.8 no
N1 . C4 C5 . 123.7(3) yes
N1 . C4 H41 . 117.0 no
C5 . C4 H41 . 119.4 no
C4 . C5 C6 . 118.9(3) yes
C4 . C5 H51 . 120.7 no
C6 . C5 H51 . 120.3 no
C5 . C6 C7 . 119.6(3) yes
C5 . C6 H61 . 120.2 no
C7 . C6 H61 . 120.2 no
C6 . C7 C8 . 117.9(3) yes
C6 . C7 C14 . 122.9(3) yes
C8 . C7 C14 . 119.2(3) yes
C7 . C8 N1 . 122.1(2) yes
C7 . C8 C9 . 119.5(2) yes
N1 . C8 C9 . 118.4(2) yes
C8 . C9 N2 . 119.2(2) yes
C8 . C9 C10 . 119.0(2) yes
N2 . C9 C10 . 121.8(2) yes
C9 . C10 C11 . 117.9(3) yes
C9 . C10 C15 . 119.6(3) yes
C11 . C10 C15 . 122.5(3) yes
C10 . C11 C12 . 119.8(3) yes
C10 . C11 H111 . 119.5 no
C12 . C11 H111 . 120.6 no
C11 . C12 C13 . 118.7(3) yes
C11 . C12 H121 . 120.8 no
C13 . C12 H121 . 120.4 no
C12 . C13 N2 . 123.4(3) yes
C12 . C13 H131 . 119.2 no
N2 . C13 H131 . 117.4 no
C7 . C14 C15 . 121.4(3) yes
C7 . C14 H141 . 118.3 no
C15 . C14 H141 . 120.3 no
C10 . C15 C14 . 121.2(3) yes
C10 . C15 H151 . 118.9 no
C14 . C15 H151 . 119.9 no
P1 . C16 C17 . 123.7(2) yes
P1 . C16 C21 . 117.3(2) yes
C17 . C16 C21 . 119.0(2) yes
C16 . C17 C18 . 121.4(3) yes
C16 . C17 H171 . 119.3 no
C18 . C17 H171 . 119.3 no
C17 . C18 C19 . 119.2(3) yes
C17 . C18 H181 . 121.2 no
C19 . C18 H181 . 119.6 no
C18 . C19 C20 . 121.0(3) yes
C18 . C19 H191 . 119.8 no
C20 . C19 H191 . 119.3 no
C19 . C20 C21 . 119.9(4) yes
C19 . C20 H201 . 121.1 no
C21 . C20 H201 . 119.0 no
C20 . C21 C16 . 119.6(3) yes
C20 . C21 H211 . 120.7 no
C16 . C21 H211 . 119.8 no
P1 . C22 C23 . 122.11(16) yes
P1 . C22 C27 . 118.69(16) yes
C23 . C22 C27 . 119.2(2) yes
C22 . C23 C24 . 120.2(2) yes
C22 . C23 H231 . 120.1 no
C24 . C23 H231 . 119.7 no
C23 . C24 C25 . 119.9(2) yes
C23 . C24 H241 . 120.4 no
C25 . C24 H241 . 119.7 no
C24 . C25 C26 . 120.7(2) yes
C24 . C25 H251 . 120.1 no
C26 . C25 H251 . 119.2 no
C25 . C26 C27 . 119.4(2) yes
C25 . C26 H261 . 120.3 no
C27 . C26 H261 . 120.3 no
C22 . C27 C26 . 120.6(2) yes
C22 . C27 H271 . 119.8 no
C26 . C27 H271 . 119.6 no
P2 . C28 C29 . 117.42(17) yes
P2 . C28 C33 . 123.31(16) yes
C29 . C28 C33 . 119.1(2) yes
C28 . C29 C30 . 120.8(2) yes
C28 . C29 H291 . 119.6 no
C30 . C29 H291 . 119.7 no
C29 . C30 C31 . 119.9(2) yes
C29 . C30 H301 . 120.0 no
C31 . C30 H301 . 120.1 no
C30 . C31 C32 . 119.7(2) yes
C30 . C31 H311 . 119.9 no
C32 . C31 H311 . 120.4 no
C31 . C32 C33 . 120.9(2) yes
C31 . C32 H321 . 120.3 no
C33 . C32 H321 . 118.7 no
C32 . C33 C28 . 119.6(2) yes
C32 . C33 H331 . 119.3 no
C28 . C33 H331 . 121.1 no
P2 . C34 C35 . 119.79(17) yes
P2 . C34 C39 . 121.41(17) yes
C35 . C34 C39 . 118.8(2) yes
C34 . C35 C36 . 120.5(2) yes
C34 . C35 H351 . 119.5 no
C36 . C35 H351 . 120.0 no
C35 . C36 C37 . 119.8(2) yes
C35 . C36 H361 . 120.9 no
C37 . C36 H361 . 119.3 no
C36 . C37 C38 . 120.2(2) yes
C36 . C37 H371 . 120.1 no
C38 . C37 H371 . 119.6 no
C37 . C38 C39 . 119.9(2) yes
C37 . C38 H381 . 120.4 no
C39 . C38 H381 . 119.7 no
C34 . C39 C38 . 120.7(2) yes
C34 . C39 H391 . 119.7 no
C38 . C39 H391 . 119.6 no
Cl1 . C40 Cl2 . 114.0(2) yes
Cl1 . C40 H401 . 108.0 no
Cl2 . C40 H401 . 107.0 no
Cl1 . C40 H402 . 108.5 no
Cl2 . C40 H402 . 106.7 no
H401 . C40 H402 . 112.7 no
F1 . B1 F2 . 108.2(2) yes
F1 . B1 F3 . 110.7(3) yes
F2 . B1 F3 . 109.2(3) yes
F1 . B1 F4 . 109.5(3) yes
F2 . B1 F4 . 108.8(3) yes
F3 . B1 F4 . 110.3(2) 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 . 2.4321(5) yes
Ag1 P2 . 2.4208(6) yes
Ag1 N1 . 2.390(2) yes
Ag1 N2 . 2.4023(19) yes
P1 C1 . 1.829(2) yes
P1 C16 . 1.824(2) yes
P1 C22 . 1.821(2) yes
P2 C3 2_567 1.836(2) yes
P2 C28 . 1.822(2) yes
P2 C34 . 1.823(2) yes
N1 C4 . 1.324(3) yes
N1 C8 . 1.362(3) yes
N2 C9 . 1.354(3) yes
N2 C13 . 1.327(3) yes
C1 C2 . 1.540(3) yes
C1 H11 . 0.984 no
C1 H12 . 0.970 no
C2 C3 . 1.531(3) yes
C2 H21 . 0.984 no
C2 H22 . 0.973 no
C3 H31 . 0.986 no
C3 H32 . 0.977 no
C4 C5 . 1.397(4) yes
C4 H41 . 0.959 no
C5 C6 . 1.363(5) yes
C5 H51 . 0.944 no
C6 C7 . 1.400(5) yes
C6 H61 . 0.946 no
C7 C8 . 1.411(3) yes
C7 C14 . 1.435(4) yes
C8 C9 . 1.446(4) yes
C9 C10 . 1.416(3) yes
C10 C11 . 1.400(5) yes
C10 C15 . 1.428(4) yes
C11 C12 . 1.362(5) yes
C11 H111 . 0.946 no
C12 C13 . 1.399(4) yes
C12 H121 . 0.945 no
C13 H131 . 0.956 no
C14 C15 . 1.341(5) yes
C14 H141 . 0.950 no
C15 H151 . 0.939 no
C16 C17 . 1.397(4) yes
C16 C21 . 1.389(4) yes
C17 C18 . 1.381(4) yes
C17 H171 . 0.970 no
C18 C19 . 1.370(6) yes
C18 H181 . 0.964 no
C19 C20 . 1.386(6) yes
C19 H191 . 0.947 no
C20 C21 . 1.400(4) yes
C20 H201 . 0.926 no
C21 H211 . 0.958 no
C22 C23 . 1.391(3) yes
C22 C27 . 1.394(3) yes
C23 C24 . 1.387(3) yes
C23 H231 . 0.949 no
C24 C25 . 1.384(3) yes
C24 H241 . 0.953 no
C25 C26 . 1.378(4) yes
C25 H251 . 0.951 no
C26 C27 . 1.391(3) yes
C26 H261 . 0.942 no
C27 H271 . 0.951 no
C28 C29 . 1.387(3) yes
C28 C33 . 1.387(3) yes
C29 C30 . 1.389(3) yes
C29 H291 . 0.948 no
C30 C31 . 1.380(4) yes
C30 H301 . 0.948 no
C31 C32 . 1.369(4) yes
C31 H311 . 0.953 no
C32 C33 . 1.399(3) yes
C32 H321 . 0.947 no
C33 H331 . 0.943 no
C34 C35 . 1.393(3) yes
C34 C39 . 1.399(3) yes
C35 C36 . 1.393(3) yes
C35 H351 . 0.954 no
C36 C37 . 1.383(4) yes
C36 H361 . 0.953 no
C37 C38 . 1.389(4) yes
C37 H371 . 0.959 no
C38 C39 . 1.380(4) yes
C38 H381 . 0.943 no
C39 H391 . 0.943 no
C40 Cl1 . 1.739(5) yes
C40 Cl2 . 1.765(5) yes
C40 H401 . 0.973 no
C40 H402 . 0.990 no
B1 F1 . 1.364(3) yes
B1 F2 . 1.383(4) yes
B1 F3 . 1.375(4) yes
B1 F4 . 1.382(4) yes
