#------------------------------------------------------------------------------
#$Date: 2022-09-15 03:04:42 +0300 (Thu, 15 Sep 2022) $
#$Revision: 277859 $
#$URL: file:///home/coder/svn-repositories/cod/cif/4/30/06/4300687.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_4300687
loop_
_publ_author_name
'Lee, Hon Man'
'Chiu, Ping Ling'
_journal_name_full               'Inorganic Chemistry'
_journal_paper_doi               10.1021/ic051840n
_journal_year                    2006
_chemical_formula_moiety         'C34 H38 Ag2 F2 N8, 2(B F4)'
_chemical_formula_sum            'C34 H38 Ag2 B2 F10 N8'
_chemical_formula_weight         986.08
_space_group_IT_number           2
_space_group_name_Hall           '-P 1'
_space_group_name_H-M_alt        'P -1'
_symmetry_cell_setting           triclinic
_symmetry_Int_Tables_number      2
_symmetry_space_group_name_Hall  '-P 1'
_symmetry_space_group_name_H-M   'P -1'
_cell_angle_alpha                97.860(2)
_cell_angle_beta                 101.205(2)
_cell_angle_gamma                105.317(2)
_cell_formula_units_Z            2
_cell_length_a                   10.8304(4)
_cell_length_b                   12.2859(5)
_cell_length_c                   15.4688(6)
_cell_measurement_temperature    150(2)
_cell_volume                     1908.47(13)
_diffrn_ambient_temperature      150(2)
_exptl_crystal_density_diffrn    1.716
_cod_database_code               4300687
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_adp_type
_atom_site_occupancy
_atom_site_symmetry_multiplicity
_atom_site_calc_flag
_atom_site_refinement_flags
_atom_site_disorder_assembly
_atom_site_disorder_group
Ag1 Ag 0.56448(7) 0.61863(7) 0.17754(5) 0.0765(3) Uani 1 1 d . A 1
Ag2 Ag 0.50799(6) 0.86502(6) 0.20535(4) 0.0508(3) Uani 1 1 d . A 1
C1 C 0.3902(10) 0.5130(9) 0.1932(6) 0.063(3) Uani 1 1 d . A 1
C5 C 0.5889(13) 0.4530(11) 0.3433(7) 0.089(4) Uani 1 1 d . A 1
C3 C 0.2456(14) 0.3715(11) 0.2309(8) 0.097(4) Uani 1 1 d . A 1
H3 H 0.2097 0.3045 0.2529 0.117 Uiso 1 1 calc R A 1
C6 C 0.5660(13) 0.5318(12) 0.4035(8) 0.095(4) Uani 1 1 d . A 1
H6 H 0.4821 0.5448 0.3940 0.114 Uiso 1 1 calc R A 1
C2 C 0.1811(12) 0.4356(10) 0.1948(8) 0.088(4) Uani 1 1 d . A 1
H2 H 0.0892 0.4249 0.1868 0.106 Uiso 1 1 calc R A 1
C7 C 0.6711(16) 0.5975(12) 0.4841(9) 0.106(4) Uani 1 1 d . A 1
H7 H 0.6568 0.6540 0.5263 0.127 Uiso 1 1 calc R A 1
C4 C 0.4915(14) 0.3768(12) 0.2648(8) 0.116(5) Uani 1 1 d . A 1
H4A H 0.4576 0.3006 0.2800 0.139 Uiso 1 1 calc R A 1
H4B H 0.5360 0.3660 0.2155 0.139 Uiso 1 1 calc R A 1
C8 C 0.7846(18) 0.5755(14) 0.4954(12) 0.109(5) Uani 1 1 d . A 1
C9 C 0.8057(16) 0.4941(16) 0.4358(14) 0.118(6) Uani 1 1 d . A 1
H9 H 0.8874 0.4775 0.4476 0.142 Uiso 1 1 calc R A 1
C10 C 0.7117(18) 0.4359(14) 0.3593(11) 0.111(5) Uani 1 1 d . A 1
H10 H 0.7308 0.3832 0.3168 0.133 Uiso 1 1 calc R A 1
C11 C 0.2342(8) 0.6117(8) 0.1310(6) 0.060(3) Uani 1 1 d . A 1
H11A H 0.1570 0.5770 0.0792 0.072 Uiso 1 1 calc R A 1
H11B H 0.3086 0.6528 0.1078 0.072 Uiso 1 1 calc R A 1
C12 C 0.2013(8) 0.6993(9) 0.1966(6) 0.063(3) Uani 1 1 d . A 1
H12A H 0.2069 0.7701 0.1717 0.076 Uiso 1 1 calc R A 1
H12B H 0.1090 0.6671 0.2005 0.076 Uiso 1 1 calc R A 1
C13 C 0.2575(11) 0.7056(9) 0.3655(8) 0.067(3) Uani 1 1 d . A 1
C14 C 0.3695(12) 0.7553(10) 0.4297(7) 0.075(3) Uani 1 1 d . A 1
H14 H 0.3825 0.7514 0.4916 0.090 Uiso 1 1 calc R A 1
C15 C 0.4614(10) 0.8126(9) 0.3891(7) 0.061(3) Uani 1 1 d . A 1
C16 C 0.1244(11) 0.6319(10) 0.3682(9) 0.109(5) Uani 1 1 d . A 1
H16A H 0.1111 0.5524 0.3388 0.163 Uiso 1 1 calc R A 1
H16B H 0.0560 0.6610 0.3367 0.163 Uiso 1 1 calc R A 1
H16C H 0.1189 0.6341 0.4309 0.163 Uiso 1 1 calc R A 1
C17 C 0.6020(10) 0.8877(9) 0.4341(6) 0.076(3) Uani 1 1 d . A 1
H17A H 0.6403 0.9276 0.3904 0.114 Uiso 1 1 calc R A 1
H17B H 0.6551 0.8393 0.4560 0.114 Uiso 1 1 calc R A 1
H17C H 0.6008 0.9446 0.4847 0.114 Uiso 1 1 calc R A 1
C18 C 0.5983(8) 0.9341(10) 0.1080(6) 0.058(3) Uani 1 1 d . A 1
C19 C 0.7036(11) 1.0624(13) 0.0374(8) 0.086(4) Uani 1 1 d . A 1
H19 H 0.7496 1.1336 0.0249 0.103 Uiso 1 1 calc R A 1
C20 C 0.6696(9) 0.9596(14) -0.0152(7) 0.086(4) Uani 1 1 d . A 1
H20 H 0.6863 0.9433 -0.0729 0.103 Uiso 1 1 calc R A 1
C21 C 0.6848(11) 1.1356(10) 0.1916(8) 0.080(3) Uani 1 1 d . A 1
H21A H 0.6017 1.1289 0.2110 0.096 Uiso 1 1 calc R A 1
H21B H 0.7125 1.2118 0.1750 0.096 Uiso 1 1 calc R A 1
C22 C 0.7864(9) 1.1298(8) 0.2674(7) 0.061(3) Uani 1 1 d . A 1
C23 C 0.9015(10) 1.1187(10) 0.2539(8) 0.098(4) Uani 1 1 d . A 1
H23 H 0.9163 1.1144 0.1952 0.118 Uiso 1 1 calc R A 1
C24 C 0.9997(12) 1.1132(12) 0.3248(11) 0.128(6) Uani 1 1 d . A 1
H24 H 1.0803 1.1040 0.3146 0.154 Uiso 1 1 calc R A 1
C25 C 0.9783(12) 1.1213(10) 0.4088(10) 0.094(4) Uani 1 1 d . A 1
C26 C 0.8637(13) 1.1331(11) 0.4253(9) 0.103(4) Uani 1 1 d . A 1
H26 H 0.8493 1.1383 0.4842 0.123 Uiso 1 1 calc R A 1
C27 C 0.7694(11) 1.1372(11) 0.3535(8) 0.091(4) Uani 1 1 d . A 1
H27 H 0.6884 1.1456 0.3638 0.109 Uiso 1 1 calc R A 1
C28 C 0.5571(10) 0.7579(12) -0.0030(7) 0.098(5) Uani 1 1 d . A 1
H28A H 0.5003 0.7414 -0.0645 0.118 Uiso 1 1 calc R A 1
H28B H 0.5019 0.7228 0.0360 0.118 Uiso 1 1 calc R A 1
C29 C 0.6667(14) 0.7022(11) -0.0046(9) 0.125(6) Uani 1 1 d . A 1
H29A H 0.6292 0.6176 -0.0142 0.150 Uiso 1 1 calc R A 1
H29B H 0.7067 0.7203 -0.0553 0.150 Uiso 1 1 calc R A 1
C30 C 0.8946(14) 0.8094(12) 0.0926(16) 0.128(7) Uani 1 1 d . A 1
C31 C 0.9463(13) 0.8367(12) 0.1849(18) 0.156(10) Uani 1 1 d . A 1
H31 H 1.0325 0.8851 0.2148 0.188 Uiso 1 1 calc R A 1
C32 C 0.8493(12) 0.7803(13) 0.2274(13) 0.123(6) Uani 1 1 d . A 1
C33 C 0.9602(13) 0.8399(10) 0.0223(13) 0.170(9) Uani 1 1 d . A 1
H33A H 0.9727 0.7710 -0.0104 0.255 Uiso 1 1 calc R A 1
H33B H 1.0463 0.8973 0.0492 0.255 Uiso 1 1 calc R A 1
H33C H 0.9061 0.8721 -0.0194 0.255 Uiso 1 1 calc R A 1
C34 C 0.8508(13) 0.7808(13) 0.3217(12) 0.163(9) Uani 1 1 d . A 1
H34A H 0.7968 0.8276 0.3409 0.245 Uiso 1 1 calc R A 1
H34B H 0.9417 0.8133 0.3581 0.245 Uiso 1 1 calc R A 1
H34C H 0.8151 0.7017 0.3296 0.245 Uiso 1 1 calc R A 1
F1 F 0.8763(9) 0.6309(7) 0.5695(6) 0.158(4) Uani 1 1 d . A 1
F2 F 1.0734(7) 1.1137(7) 0.4769(6) 0.146(3) Uani 1 1 d . A 1
N1 N 0.3770(11) 0.4194(9) 0.2315(5) 0.082(3) Uani 1 1 d . A 1
N2 N 0.2685(8) 0.5214(7) 0.1703(5) 0.058(2) Uani 1 1 d . A 1
N3 N 0.2850(7) 0.7300(6) 0.2855(5) 0.054(2) Uani 1 1 d . A 1
N4 N 0.4127(7) 0.7966(6) 0.3020(4) 0.0483(19) Uani 1 1 d . A 1
N5 N 0.6598(7) 1.0466(9) 0.1129(6) 0.063(2) Uani 1 1 d . A 1
N6 N 0.6050(7) 0.8799(9) 0.0291(5) 0.078(3) Uani 1 1 d . A 1
N7 N 0.7673(9) 0.7430(8) 0.0787(9) 0.101(4) Uani 1 1 d . A 1
N8 N 0.7422(8) 0.7256(8) 0.1594(8) 0.092(3) Uani 1 1 d . A 1
F3 F 0.8996(4) 0.5290(3) 0.0842(3) 0.112(2) Uani 1 1 d G . .
F4 F 0.8523(3) 0.4521(4) 0.1991(3) 0.309(9) Uani 1 1 d G . .
F5 F 0.8262(4) 0.3402(3) 0.0711(3) 0.114(2) Uani 1 1 d G . .
F6 F 0.6821(4) 0.4429(3) 0.0910(3) 0.225(7) Uani 1 1 d G . .
B1 B 0.8058(3) 0.4412(3) 0.1001(3) 0.114(6) Uani 1 1 d G . .
F7 F 0.2456(4) -0.0251(3) 0.3139(3) 0.056(2) Uani 0.60 1 d PGU B 1
F8 F 0.3340(4) 0.1628(3) 0.3605(3) 0.275(11) Uani 0.60 1 d PGU B 1
F9 F 0.2373(3) 0.0938(4) 0.2193(3) 0.092(3) Uani 0.60 1 d PGU B 1
F10 F 0.4399(3) 0.0763(3) 0.2797(3) 0.176(7) Uani 0.60 1 d PGU B 1
B2 B 0.3170(3) 0.0658(3) 0.2855(3) 0.088(5) Uani 0.60 1 d PGU B 1
F7A F 0.3216(4) 0.1749(3) 0.3471(3) 0.058(4) Uiso 0.40 1 d PG C 2
F8A F 0.2569(4) -0.0036(3) 0.2700(3) 0.160(11) Uiso 0.40 1 d PG C 2
F9A F 0.4665(3) 0.0855(4) 0.3197(3) 0.052(4) Uiso 0.40 1 d PG C 2
F10A F 0.3433(3) 0.1305(3) 0.1997(3) 0.124(6) Uiso 0.40 1 d PG C 2
B2A B 0.3566(3) 0.1109(3) 0.2826(3) 0.15(2) Uiso 0.40 1 d PG C 2
loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_site_symmetry_2
_geom_bond_publ_flag
Ag1 C1 2.068(10) . ?
Ag1 N8 2.118(10) . ?
Ag1 Ag2 3.2324(11) . ?
Ag2 C18 2.104(9) . ?
Ag2 N4 2.119(7) . ?
C1 N2 1.332(11) . ?
C1 N1 1.351(12) . ?
C5 C6 1.356(14) . ?
C5 C10 1.381(16) . ?
C5 C4 1.460(16) . ?
C3 C2 1.296(14) . ?
C3 N1 1.387(14) . ?
C3 H3 0.9500 . ?
C6 C7 1.479(17) . ?
C6 H6 0.9500 . ?
C2 N2 1.369(12) . ?
C2 H2 0.9500 . ?
C7 C8 1.312(18) . ?
C7 H7 0.9500 . ?
C4 N1 1.498(13) . ?
C4 H4A 0.9900 . ?
C4 H4B 0.9900 . ?
C8 F1 1.323(16) . ?
C8 C9 1.36(2) . ?
C9 C10 1.365(19) . ?
C9 H9 0.9500 . ?
C10 H10 0.9500 . ?
C11 N2 1.433(11) . ?
C11 C12 1.536(13) . ?
C11 H11A 0.9900 . ?
C11 H11B 0.9900 . ?
C12 N3 1.432(11) . ?
C12 H12A 0.9900 . ?
C12 H12B 0.9900 . ?
C13 C14 1.344(14) . ?
C13 N3 1.381(10) . ?
C13 C16 1.498(14) . ?
C14 C15 1.369(13) . ?
C14 H14 0.9500 . ?
C15 N4 1.315(11) . ?
C15 C17 1.525(13) . ?
C16 H16A 0.9800 . ?
C16 H16B 0.9800 . ?
C16 H16C 0.9800 . ?
C17 H17A 0.9800 . ?
C17 H17B 0.9800 . ?
C17 H17C 0.9800 . ?
C18 N6 1.333(11) . ?
C18 N5 1.351(12) . ?
C19 C20 1.323(15) . ?
C19 N5 1.362(12) . ?
C19 H19 0.9500 . ?
C20 N6 1.388(13) . ?
C20 H20 0.9500 . ?
C21 N5 1.450(13) . ?
C21 C22 1.468(13) . ?
C21 H21A 0.9900 . ?
C21 H21B 0.9900 . ?
C22 C23 1.341(12) . ?
C22 C27 1.374(13) . ?
C23 C24 1.394(17) . ?
C23 H23 0.9500 . ?
C24 C25 1.358(17) . ?
C24 H24 0.9500 . ?
C25 F2 1.354(13) . ?
C25 C26 1.354(15) . ?
C26 C27 1.372(14) . ?
C26 H26 0.9500 . ?
C27 H27 0.9500 . ?
C28 N6 1.431(14) . ?
C28 C29 1.522(17) . ?
C28 H28A 0.9900 . ?
C28 H28B 0.9900 . ?
C29 N7 1.445(16) . ?
C29 H29A 0.9900 . ?
C29 H29B 0.9900 . ?
C30 N7 1.362(15) . ?
C30 C31 1.39(2) . ?
C30 C33 1.45(2) . ?
C31 C32 1.42(2) . ?
C31 H31 0.9500 . ?
C32 N8 1.351(15) . ?
C32 C34 1.46(2) . ?
C33 H33A 0.9800 . ?
C33 H33B 0.9800 . ?
C33 H33C 0.9800 . ?
C34 H34A 0.9800 . ?
C34 H34B 0.9800 . ?
C34 H34C 0.9800 . ?
N3 N4 1.362(9) . ?
N7 N8 1.361(13) . ?
F3 B1 1.3590 . ?
F4 B1 1.4911 . ?
F5 B1 1.3496 . ?
F6 B1 1.3247 . ?
F7 B2 1.3590 . ?
F8 B2 1.4912 . ?
F9 B2 1.3496 . ?
F10 B2 1.3247 . ?
F7A B2A 1.3589 . ?
F8A B2A 1.4912 . ?
F9A B2A 1.3497 . ?
F10A B2A 1.3247 . ?
