#------------------------------------------------------------------------------
#$Date: 2016-03-22 21:58:41 +0100 (mar 22 de mar de 2016) $
#$Revision: 179042 $
#$URL: svn://www.crystallography.net/cod/cif/4/30/04/4300427.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_4300427
_journal_name_full               'Inorganic Chemistry'
_journal_paper_doi               10.1021/ic0512835
_journal_year                    2006
_chemical_formula_sum            'C28 H38 Ag4 B4 F16 N10'
_chemical_formula_weight         1293.40
_space_group_IT_number           14
_symmetry_cell_setting           monoclinic
_symmetry_space_group_name_Hall  '-P 2ybc'
_symmetry_space_group_name_H-M   'P 1 21/c 1'
_cell_angle_alpha                90.00
_cell_angle_beta                 96.381(2)
_cell_angle_gamma                90.00
_cell_formula_units_Z            4
_cell_length_a                   7.8143(7)
_cell_length_b                   25.736(2)
_cell_length_c                   21.1937(18)
_cell_measurement_temperature    273(2)
_cell_volume                     4235.9(6)
_diffrn_ambient_temperature      273(2)
_exptl_crystal_density_diffrn    2.028
_cod_depositor_comments
;
The following automatic conversions were performed:
'_symmetry_cell_setting' value 'Monoclinic' changed to 'monoclinic'
according to '/home/saulius/struct/CIF-dictionaries/cif_core.dic'
dictionary named 'cif_core.dic' version 2.4.1 from 2010-06-29.

Automatic conversion script
Id: cif_fix_enum 1527 2010-12-29 10:47:43Z saulius 
;
_cod_original_sg_symbol_H-M      'P 21/c'
_cod_database_code               4300427
loop_
_symmetry_equiv_pos_as_xyz
'x, y, z'
'-x, y+1/2, -z+1/2'
'-x, -y, -z'
'x, -y-1/2, z-1/2'
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 0.28713(6) 0.952328(16) 0.53917(2) 0.01890(11) Uani 1 1 d . . .
Ag2 Ag 0.79082(7) 0.94705(2) 0.97250(2) 0.03075(14) Uani 1 1 d . . .
Ag3 Ag 0.63585(7) 0.79974(2) 0.69481(2) 0.02805(13) Uani 1 1 d . . .
Ag4 Ag 0.36722(7) 0.77864(2) 0.79884(2) 0.03737(15) Uani 1 1 d . . .
F1 F 0.9460(5) 0.66735(14) 0.90621(19) 0.0346(9) Uani 1 1 d . . .
F2 F 0.8118(5) 0.63259(15) 0.98718(17) 0.0308(8) Uani 1 1 d . . .
F3 F 1.0205(5) 0.58677(15) 0.9446(2) 0.0377(10) Uani 1 1 d . . .
F4 F 0.7616(4) 0.59930(14) 0.88735(17) 0.0266(8) Uani 1 1 d . . .
F5 F 0.4522(5) 0.51485(14) 0.86089(18) 0.0287(8) Uani 1 1 d . . .
F6 F 0.2665(5) 0.47054(15) 0.91685(17) 0.0293(8) Uani 1 1 d . . .
F7 F 0.4177(5) 0.42750(14) 0.84682(18) 0.0289(8) Uani 1 1 d . . .
F8 F 0.2024(5) 0.48277(14) 0.81023(18) 0.0316(9) Uani 1 1 d . . .
F9 F 0.4862(6) 0.57101(16) 0.3404(2) 0.0437(11) Uani 1 1 d . . .
F10 F 0.3216(5) 0.54219(16) 0.41509(19) 0.0380(10) Uani 1 1 d . . .
F11 F 0.5368(5) 0.49204(16) 0.3848(2) 0.0443(11) Uani 1 1 d . . .
F12 F 0.2948(6) 0.5054(2) 0.3182(2) 0.0549(13) Uani 1 1 d . . .
F15 F 0.0845(7) 0.6306(2) 0.5470(2) 0.0650(15) Uani 1 1 d . . .
B4 B 0.0838(10) 0.6330(3) 0.6116(4) 0.0320(17) Uani 0.880(11) 1 d PD A 1
F13 F 0.2455(7) 0.6371(3) 0.6429(3) 0.062(2) Uani 0.880(11) 1 d PD A 1
F14 F -0.0024(10) 0.6770(2) 0.6246(3) 0.082(3) Uani 0.880(11) 1 d PD A 1
F16 F -0.0008(11) 0.5905(2) 0.6317(3) 0.084(3) Uani 0.880(11) 1 d PD A 1
B4A B 0.0838(10) 0.6330(3) 0.6116(4) 0.0320(17) Uani 0.120(11) 1 d PD A 2
F13A F 0.163(5) 0.5873(10) 0.6284(18) 0.049(12) Uiso 0.120(11) 1 d PD A 2
F14A F 0.182(4) 0.6701(12) 0.6427(17) 0.049(12) Uiso 0.120(11) 1 d PD A 2
F16A F -0.078(3) 0.6378(16) 0.6320(18) 0.052(13) Uiso 0.120(11) 1 d PD A 2
N1 N 0.1389(7) 0.98516(19) 0.6077(2) 0.0233(11) Uani 1 1 d . . .
H1A H 0.1607 1.0195 0.6108 0.028 Uiso 1 1 calc R . .
H1B H 0.0263 0.9812 0.5942 0.028 Uiso 1 1 calc R . .
N2 N 0.2209(6) 0.8211(2) 0.7212(2) 0.0223(11) Uani 1 1 d . . .
N3 N 0.4573(6) 0.92093(18) 0.4770(2) 0.0189(10) Uani 1 1 d . . .
H3A H 0.4630 0.9432 0.4445 0.023 Uiso 1 1 calc R . .
H3B H 0.5634 0.9187 0.4982 0.023 Uiso 1 1 calc R . .
N4 N 0.4845(6) 0.79288(19) 0.6044(2) 0.0210(10) Uani 1 1 d . . .
N5 N 0.6588(8) 0.9157(2) 1.0454(3) 0.0408(15) Uani 1 1 d . . .
H5A H 0.7373 0.8999 1.0733 0.049 Uiso 1 1 calc R . .
H5B H 0.6158 0.9425 1.0659 0.049 Uiso 1 1 calc R . .
N6 N 0.5248(7) 0.78824(19) 0.8905(2) 0.0229(11) Uani 1 1 d . . .
N7 N 0.9445(7) 0.9802(2) 0.9059(3) 0.0308(13) Uani 1 1 d . . .
H7A H 0.9320 1.0149 0.9065 0.037 Uiso 1 1 calc R . .
H7B H 1.0558 0.9730 0.9185 0.037 Uiso 1 1 calc R . .
N8 N 0.8010(6) 0.8282(2) 0.7748(2) 0.0231(11) Uani 1 1 d . . .
N9 N 0.2241(10) 0.6972(3) 0.7966(3) 0.0509(18) Uani 1 1 d . . .
N10 N 0.6191(12) 0.7055(3) 0.7391(4) 0.069(3) Uani 1 1 d . . .
C1 C 0.1758(8) 0.9612(2) 0.6712(3) 0.0241(13) Uani 1 1 d . . .
H1C H 0.1025 0.9771 0.6998 0.029 Uiso 1 1 calc R . .
H1D H 0.2944 0.9684 0.6874 0.029 Uiso 1 1 calc R . .
C2 C 0.1475(7) 0.9036(2) 0.6705(3) 0.0194(12) Uani 1 1 d . . .
C3 C 0.2399(8) 0.8730(2) 0.7163(3) 0.0229(13) Uani 1 1 d . . .
H3 H 0.3201 0.8893 0.7454 0.028 Uiso 1 1 calc R . .
C4 C 0.1060(8) 0.7975(2) 0.6782(3) 0.0244(13) Uani 1 1 d . . .
H4 H 0.0900 0.7618 0.6811 0.029 Uiso 1 1 calc R . .
C5 C 0.0121(8) 0.8244(2) 0.6304(3) 0.0231(13) Uani 1 1 d . . .
H5 H -0.0642 0.8069 0.6009 0.028 Uiso 1 1 calc R . .
C6 C 0.0314(7) 0.8777(2) 0.6263(3) 0.0201(12) Uani 1 1 d . . .
H6 H -0.0326 0.8962 0.5943 0.024 Uiso 1 1 calc R . .
C7 C 0.4077(8) 0.8691(2) 0.4507(3) 0.0205(12) Uani 1 1 d . . .
H7C H 0.4923 0.8580 0.4234 0.025 Uiso 1 1 calc R . .
H7D H 0.2977 0.8720 0.4248 0.025 Uiso 1 1 calc R . .
C8 C 0.3937(7) 0.8283(2) 0.5010(3) 0.0184(12) Uani 1 1 d . . .
C9 C 0.4914(7) 0.8300(2) 0.5599(3) 0.0189(12) Uani 1 1 d . . .
H9 H 0.5650 0.8581 0.5690 0.023 Uiso 1 1 calc R . .
C10 C 0.3774(8) 0.7519(2) 0.5908(3) 0.0241(13) Uani 1 1 d . . .
H10 H 0.3731 0.7258 0.6209 0.029 Uiso 1 1 calc R . .
C11 C 0.2752(9) 0.7479(2) 0.5340(3) 0.0264(14) Uani 1 1 d . . .
H11 H 0.2019 0.7196 0.5260 0.032 Uiso 1 1 calc R . .
C12 C 0.2824(8) 0.7865(2) 0.4886(3) 0.0232(13) Uani 1 1 d . . .
H12 H 0.2130 0.7844 0.4501 0.028 Uiso 1 1 calc R . .
C13 C 0.5183(10) 0.8788(3) 1.0291(4) 0.0398(18) Uani 1 1 d . . .
H13A H 0.4218 0.8968 1.0061 0.048 Uiso 1 1 calc R . .
H13B H 0.4804 0.8650 1.0678 0.048 Uiso 1 1 calc R . .
C14 C 0.5724(8) 0.8344(2) 0.9891(3) 0.0273(14) Uani 1 1 d . . .
C15 C 0.4928(8) 0.8281(2) 0.9282(3) 0.0255(14) Uani 1 1 d . . .
H15 H 0.4126 0.8529 0.9124 0.031 Uiso 1 1 calc R . .
C16 C 0.6433(8) 0.7529(2) 0.9132(3) 0.0206(12) Uani 1 1 d . . .
H16 H 0.6650 0.7246 0.8879 0.025 Uiso 1 1 calc R . .
C17 C 0.7328(8) 0.7571(3) 0.9724(3) 0.0264(14) Uani 1 1 d . . .
H17 H 0.8171 0.7328 0.9861 0.032 Uiso 1 1 calc R . .
C18 C 0.6962(9) 0.7977(3) 1.0113(3) 0.0289(14) Uani 1 1 d . . .
H18 H 0.7536 0.8006 1.0520 0.035 Uiso 1 1 calc R . .
C19 C 0.9029(8) 0.9618(3) 0.8400(3) 0.0267(14) Uani 1 1 d . . .
H19A H 0.9853 0.9763 0.8138 0.032 Uiso 1 1 calc R . .
H19B H 0.7894 0.9743 0.8236 0.032 Uiso 1 1 calc R . .
C20 C 0.9064(8) 0.9032(3) 0.8356(3) 0.0231(13) Uani 1 1 d . . .
C21 C 0.8064(8) 0.8802(2) 0.7850(3) 0.0220(13) Uani 1 1 d . . .
H21 H 0.7398 0.9016 0.7566 0.026 Uiso 1 1 calc R . .
C22 C 0.8994(8) 0.7979(3) 0.8156(3) 0.0261(14) Uani 1 1 d . . .
H22 H 0.8983 0.7622 0.8087 0.031 Uiso 1 1 calc R . .
C23 C 1.0018(8) 0.8174(3) 0.8674(3) 0.0258(14) Uani 1 1 d . . .
H23 H 1.0677 0.7953 0.8951 0.031 Uiso 1 1 calc R . .
C24 C 1.0045(8) 0.8710(3) 0.8773(3) 0.0266(14) Uani 1 1 d . . .
H24 H 1.0725 0.8850 0.9119 0.032 Uiso 1 1 calc R . .
C25 C 0.1683(11) 0.6566(3) 0.7925(3) 0.0411(18) Uani 1 1 d . . .
C26 C 0.0958(14) 0.6040(3) 0.7860(4) 0.055(2) Uani 1 1 d . . .
H26A H 0.0196 0.6017 0.7473 0.083 Uiso 1 1 calc R . .
H26B H 0.0331 0.5967 0.8214 0.083 Uiso 1 1 calc R . .
H26C H 0.1874 0.5792 0.7849 0.083 Uiso 1 1 calc R . .
C27 C 0.6045(12) 0.6622(3) 0.7377(4) 0.046(2) Uani 1 1 d . . .
C28 C 0.5848(14) 0.6054(3) 0.7357(4) 0.063(3) Uani 1 1 d . . .
H28A H 0.5638 0.5930 0.7768 0.095 Uiso 1 1 calc R . .
H28B H 0.6882 0.5899 0.7238 0.095 Uiso 1 1 calc R . .
H28C H 0.4895 0.5963 0.7051 0.095 Uiso 1 1 calc R . .
B1 B 0.8859(9) 0.6217(3) 0.9319(4) 0.0241(15) Uani 1 1 d . . .
B2 B 0.3326(9) 0.4740(3) 0.8581(3) 0.0207(14) Uani 1 1 d . . .
B3 B 0.4095(9) 0.5280(3) 0.3639(4) 0.0269(16) Uani 1 1 d . . .
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 N1 2.130(5) . ?
Ag1 N3 2.132(5) . ?
Ag2 N5 2.111(6) . ?
Ag2 N7 2.130(6) . ?
Ag3 N8 2.142(5) . ?
Ag3 N4 2.145(5) . ?
Ag3 N10 2.609(7) . ?
Ag3 Ag4 3.2543(8) . ?
Ag4 N2 2.189(5) . ?
Ag4 N6 2.195(5) . ?
Ag4 N9 2.374(7) . ?
F1 B1 1.398(8) . ?
F2 B1 1.391(9) . ?
F3 B1 1.387(8) . ?
F4 B1 1.402(8) . ?
F5 B2 1.405(8) . ?
F6 B2 1.402(8) . ?
F7 B2 1.401(8) . ?
F8 B2 1.374(8) . ?
F9 B3 1.378(8) . ?
F10 B3 1.396(9) . ?
F11 B3 1.394(8) . ?
F12 B3 1.372(9) . ?
F15 B4 1.370(9) . ?
B4 F14 1.362(10) . ?
B4 F13 1.364(9) . ?
B4 F16 1.370(9) . ?
N1 C1 1.479(8) . ?
N1 H1A 0.9000 . ?
N1 H1B 0.9000 . ?
N2 C4 1.349(8) . ?
N2 C3 1.351(8) . ?
N3 C7 1.480(7) . ?
N3 H3A 0.9000 . ?
N3 H3B 0.9000 . ?
N4 C9 1.348(7) . ?
N4 C10 1.356(8) . ?
N5 C13 1.464(9) . ?
N5 H5A 0.9000 . ?
N5 H5B 0.9000 . ?
N6 C15 1.342(8) . ?
N6 C16 1.349(8) . ?
N7 C19 1.477(8) . ?
N7 H7A 0.9000 . ?
N7 H7B 0.9000 . ?
N8 C22 1.343(8) . ?
N8 C21 1.355(8) . ?
N9 C25 1.132(10) . ?
N10 C27 1.121(10) . ?
C1 C2 1.500(8) . ?
C1 H1C 0.9700 . ?
C1 H1D 0.9700 . ?
C2 C3 1.388(8) . ?
C2 C6 1.398(8) . ?
C3 H3 0.9300 . ?
C4 C5 1.370(9) . ?
C4 H4 0.9300 . ?
C5 C6 1.384(9) . ?
C5 H5 0.9300 . ?
C6 H6 0.9300 . ?
C7 C8 1.509(8) . ?
C7 H7C 0.9700 . ?
C7 H7D 0.9700 . ?
C8 C12 1.390(8) . ?
C8 C9 1.390(8) . ?
C9 H9 0.9300 . ?
C10 C11 1.373(9) . ?
C10 H10 0.9300 . ?
C11 C12 1.388(9) . ?
C11 H11 0.9300 . ?
C12 H12 0.9300 . ?
C13 C14 1.511(9) . ?
C13 H13A 0.9700 . ?
C13 H13B 0.9700 . ?
C14 C15 1.379(9) . ?
C14 C18 1.395(10) . ?
C15 H15 0.9300 . ?
C16 C17 1.370(9) . ?
C16 H16 0.9300 . ?
C17 C18 1.383(9) . ?
C17 H17 0.9300 . ?
C18 H18 0.9300 . ?
C19 C20 1.512(9) . ?
C19 H19A 0.9700 . ?
C19 H19B 0.9700 . ?
C20 C24 1.380(9) . ?
C20 C21 1.388(9) . ?
C21 H21 0.9300 . ?
C22 C23 1.379(9) . ?
C22 H22 0.9300 . ?
C23 C24 1.395(9) . ?
C23 H23 0.9300 . ?
C24 H24 0.9300 . ?
C25 C26 1.468(11) . ?
C26 H26A 0.9600 . ?
C26 H26B 0.9600 . ?
C26 H26C 0.9600 . ?
C27 C28 1.469(11) . ?
C28 H28A 0.9600 . ?
C28 H28B 0.9600 . ?
C28 H28C 0.9600 . ?
