#------------------------------------------------------------------------------
#$Date: 2015-03-08 22:43:52 +0200 (Sun, 08 Mar 2015) $
#$Revision: 133682 $
#$URL: svn://www.crystallography.net/cod/cif/4/30/04/4300480.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_4300480
loop_
_publ_author_name
'Burchell, Tara J.'
'Puddephatt, Richard J.'
_publ_section_title
;
Self-Assembly of Homochiral and Heterochiral Silver(I) Coordination
Polymers and Networks
;
_journal_issue                   2
_journal_name_full               'Inorganic Chemistry'
_journal_page_first              650
_journal_page_last               659
_journal_paper_doi               10.1021/ic051365t
_journal_volume                  45
_journal_year                    2006
_chemical_formula_sum            'C68 H52 Ag2 Cl8 N10 O10'
_chemical_formula_weight         1668.54
_space_group_IT_number           2
_symmetry_cell_setting           triclinic
_symmetry_space_group_name_Hall  '-P 1'
_symmetry_space_group_name_H-M   'P -1'
_cell_angle_alpha                97.74(3)
_cell_angle_beta                 106.86(3)
_cell_angle_gamma                94.18(3)
_cell_formula_units_Z            2
_cell_length_a                   13.459(3)
_cell_length_b                   13.672(3)
_cell_length_c                   19.467(4)
_cell_measurement_temperature    150(2)
_cell_volume                     3373.2(12)
_diffrn_ambient_temperature      150(2)
_exptl_crystal_density_diffrn    1.643
_cod_depositor_comments
;
The following automatic conversions were performed:
'_symmetry_cell_setting' value 'Triclinic' changed to 'triclinic'
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_database_code               4300480
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 1.00293(4) -0.01346(4) 0.26027(3) 0.04385(18) Uani 1 1 d . . .
Ag2 Ag 0.99718(3) 0.47734(4) 0.24963(2) 0.04057(17) Uani 1 1 d . . .
N9 N 1.0084(4) 0.2291(4) 0.2251(3) 0.0450(13) Uani 1 1 d . . .
O5 O 0.9868(4) 0.2220(6) 0.1606(3) 0.098(2) Uani 1 1 d . . .
O6 O 1.0786(4) 0.1794(4) 0.2578(3) 0.0701(16) Uani 1 1 d . . .
O7 O 0.9655(4) 0.2773(4) 0.2638(3) 0.0682(15) Uani 1 1 d . . .
N10 N 1.0311(4) -0.2518(4) 0.2910(3) 0.0423(13) Uani 1 1 d . . .
O8 O 1.0914(5) -0.2388(4) 0.2558(3) 0.0809(18) Uani 1 1 d . . .
O9 O 0.9837(5) -0.3324(4) 0.2833(4) 0.0823(19) Uani 1 1 d . . .
O10 O 1.0226(4) -0.1818(3) 0.3374(3) 0.0483(11) Uani 1 1 d . . .
N1 N 0.9468(4) 0.0360(3) 0.3512(3) 0.0347(12) Uani 1 1 d . . .
C1 C 0.8855(4) -0.0196(4) 0.3786(3) 0.0368(14) Uani 1 1 d . . .
H1A H 0.8528 -0.0826 0.3514 0.044 Uiso 1 1 calc R . .
C2 C 0.8682(4) 0.0101(4) 0.4432(3) 0.0363(14) Uani 1 1 d . . .
H2A H 0.8237 -0.0313 0.4601 0.044 Uiso 1 1 calc R . .
C3 C 0.9160(4) 0.1015(4) 0.4844(3) 0.0327(13) Uani 1 1 d . . .
H3A H 0.9067 0.1226 0.5305 0.039 Uiso 1 1 calc R . .
C4 C 0.9777(4) 0.1614(4) 0.4565(3) 0.0261(12) Uani 1 1 d . . .
C5 C 0.9898(4) 0.1255(4) 0.3897(3) 0.0294(12) Uani 1 1 d . . .
H5A H 1.0309 0.1667 0.3702 0.035 Uiso 1 1 calc R . .
C6 C 1.0354(4) 0.2612(4) 0.4910(3) 0.0260(12) Uani 1 1 d . . .
O1 O 1.0691(3) 0.3131(3) 0.45361(19) 0.0271(8) Uani 1 1 d . . .
N2 N 1.0511(3) 0.2914(3) 0.5624(2) 0.0261(10) Uani 1 1 d . . .
H2B H 1.0262 0.2544 0.5887 0.031 Uiso 1 1 calc R . .
C7 C 1.1106(4) 0.3870(4) 0.5938(3) 0.0247(12) Uani 1 1 d . . .
C8 C 1.0554(4) 0.4699(4) 0.5965(3) 0.0275(12) Uani 1 1 d . . .
H8A H 0.9812 0.4613 0.5815 0.033 Uiso 1 1 calc R . .
C9 C 1.1092(4) 0.5640(4) 0.6209(3) 0.0289(12) Uani 1 1 d . . .
H9A H 1.0718 0.6200 0.6236 0.035 Uiso 1 1 calc R . .
C10 C 1.2195(4) 0.5776(4) 0.6419(3) 0.0253(12) Uani 1 1 d . . .
C11 C 1.2770(5) 0.6720(4) 0.6652(3) 0.0373(14) Uani 1 1 d . . .
H11A H 1.2409 0.7291 0.6662 0.045 Uiso 1 1 calc R . .
C12 C 1.3827(5) 0.6839(5) 0.6863(4) 0.0416(16) Uani 1 1 d . . .
H12A H 1.4197 0.7488 0.7020 0.050 Uiso 1 1 calc R . .
C13 C 1.4379(5) 0.6014(4) 0.6851(3) 0.0377(15) Uani 1 1 d . . .
H13A H 1.5121 0.6101 0.6999 0.045 Uiso 1 1 calc R . .
C14 C 1.3849(4) 0.5082(4) 0.6627(3) 0.0317(13) Uani 1 1 d . . .
H14A H 1.4230 0.4525 0.6623 0.038 Uiso 1 1 calc R . .
C15 C 1.2748(4) 0.4927(4) 0.6401(3) 0.0245(11) Uani 1 1 d . . .
C16 C 1.2169(4) 0.3959(4) 0.6144(3) 0.0230(11) Uani 1 1 d . . .
C17 C 1.2752(4) 0.3070(4) 0.6089(3) 0.0275(12) Uani 1 1 d . . .
C18 C 1.2973(4) 0.2493(4) 0.6662(3) 0.0300(13) Uani 1 1 d . . .
C19 C 1.2616(5) 0.2690(4) 0.7276(3) 0.0384(15) Uani 1 1 d . . .
H19A H 1.2211 0.3224 0.7312 0.046 Uiso 1 1 calc R . .
C20 C 1.2842(5) 0.2128(5) 0.7819(3) 0.0465(17) Uani 1 1 d . . .
H20A H 1.2590 0.2273 0.8225 0.056 Uiso 1 1 calc R . .
C21 C 1.3437(5) 0.1347(5) 0.7781(4) 0.0523(19) Uani 1 1 d . . .
H21A H 1.3606 0.0969 0.8166 0.063 Uiso 1 1 calc R . .
C22 C 1.3777(5) 0.1125(5) 0.7195(4) 0.0478(18) Uani 1 1 d . . .
H22A H 1.4172 0.0581 0.7171 0.057 Uiso 1 1 calc R . .
C23 C 1.3561(4) 0.1680(4) 0.6619(3) 0.0357(14) Uani 1 1 d . . .
C24 C 1.3924(4) 0.1474(5) 0.6006(4) 0.0453(17) Uani 1 1 d . . .
H24A H 1.4324 0.0935 0.5973 0.054 Uiso 1 1 calc R . .
C25 C 1.3710(4) 0.2036(4) 0.5460(4) 0.0386(15) Uani 1 1 d . . .
H25A H 1.3962 0.1884 0.5054 0.046 Uiso 1 1 calc R . .
C26 C 1.3117(4) 0.2838(4) 0.5500(3) 0.0285(13) Uani 1 1 d . . .
N3 N 1.2846(3) 0.3392(3) 0.4925(2) 0.0295(11) Uani 1 1 d . . .
H3B H 1.2194 0.3521 0.4778 0.035 Uiso 1 1 calc R . .
C27 C 1.3502(4) 0.3739(4) 0.4581(3) 0.0321(13) Uani 1 1 d . . .
O2 O 1.4413(3) 0.3581(3) 0.4719(2) 0.0467(12) Uani 1 1 d . . .
C28 C 1.3044(4) 0.4377(4) 0.4027(3) 0.0308(13) Uani 1 1 d . . .
C29 C 1.3724(4) 0.5130(5) 0.3922(3) 0.0392(15) Uani 1 1 d . . .
H29A H 1.4453 0.5191 0.4164 0.047 Uiso 1 1 calc R . .
C30 C 1.3321(5) 0.5772(5) 0.3468(3) 0.0429(16) Uani 1 1 d . . .
H30A H 1.3763 0.6298 0.3398 0.051 Uiso 1 1 calc R . .
C31 C 1.2262(5) 0.5651(5) 0.3110(3) 0.0376(14) Uani 1 1 d . . .
H31A H 1.1987 0.6115 0.2804 0.045 Uiso 1 1 calc R . .
C32 C 1.1999(4) 0.4274(5) 0.3632(3) 0.0350(14) Uani 1 1 d . . .
H32A H 1.1544 0.3743 0.3683 0.042 Uiso 1 1 calc R . .
N4 N 1.1602(4) 0.4911(4) 0.3173(3) 0.0351(12) Uani 1 1 d . . .
N5 N 0.8345(3) 0.4667(4) 0.1814(2) 0.0315(11) Uani 1 1 d . . .
C33 C 0.7681(4) 0.3930(4) 0.1878(3) 0.0328(13) Uani 1 1 d . . .
H33A H 0.7953 0.3437 0.2157 0.039 Uiso 1 1 calc R . .
C34 C 0.6606(5) 0.3862(5) 0.1551(3) 0.0379(14) Uani 1 1 d . . .
H34A H 0.6151 0.3350 0.1626 0.045 Uiso 1 1 calc R . .
C35 C 0.6219(4) 0.4540(4) 0.1122(3) 0.0328(13) Uani 1 1 d . . .
H35A H 0.5488 0.4504 0.0891 0.039 Uiso 1 1 calc R . .
C36 C 0.6903(4) 0.5288(4) 0.1024(3) 0.0287(12) Uani 1 1 d . . .
C37 C 0.7944(4) 0.5323(4) 0.1379(3) 0.0275(12) Uani 1 1 d . . .
H37A H 0.8411 0.5836 0.1318 0.033 Uiso 1 1 calc R . .
C38 C 0.6436(4) 0.5981(4) 0.0514(3) 0.0293(13) Uani 1 1 d . . .
O3 O 0.5544(3) 0.6178(3) 0.0437(2) 0.0375(10) Uani 1 1 d . . .
N6 N 0.7063(4) 0.6334(4) 0.0148(3) 0.0347(12) Uani 1 1 d . . .
H6A H 0.7696 0.6152 0.0244 0.042 Uiso 1 1 calc R . .
C39 C 0.6787(4) 0.6973(4) -0.0377(3) 0.0289(13) Uani 1 1 d . . .
C40 C 0.6225(5) 0.7773(5) -0.0253(4) 0.0410(15) Uani 1 1 d . . .
H40A H 0.6017 0.7872 0.0175 0.049 Uiso 1 1 calc R . .
C41 C 0.5981(5) 0.8402(5) -0.0745(4) 0.0396(15) Uani 1 1 d . . .
H41A H 0.5610 0.8946 -0.0653 0.048 Uiso 1 1 calc R . .
C42 C 0.6270(4) 0.8262(4) -0.1390(3) 0.0374(15) Uani 1 1 d . . .
C43 C 0.6007(5) 0.8892(5) -0.1924(4) 0.0436(16) Uani 1 1 d . . .
H43A H 0.5642 0.9444 -0.1845 0.052 Uiso 1 1 calc R . .
C44 C 0.6271(5) 0.8715(5) -0.2542(4) 0.0461(18) Uani 1 1 d . . .
H44A H 0.6084 0.9140 -0.2895 0.055 Uiso 1 1 calc R . .
C45 C 0.6813(5) 0.7919(5) -0.2670(3) 0.0413(16) Uani 1 1 d . . .
H45A H 0.6978 0.7801 -0.3115 0.050 Uiso 1 1 calc R . .
C46 C 0.7111(4) 0.7309(4) -0.2172(3) 0.0350(14) Uani 1 1 d . . .
H46A H 0.7507 0.6786 -0.2261 0.042 Uiso 1 1 calc R . .
C47 C 0.6832(4) 0.7448(4) -0.1514(3) 0.0301(13) Uani 1 1 d . . .
C48 C 0.7106(4) 0.6802(4) -0.0991(3) 0.0284(12) Uani 1 1 d . . .
C49 C 0.7698(4) 0.5947(4) -0.1107(3) 0.0264(12) Uani 1 1 d . . .
C50 C 0.7162(4) 0.4977(4) -0.1416(3) 0.0268(12) Uani 1 1 d . . .
C51 C 0.6045(4) 0.4799(5) -0.1655(3) 0.0339(13) Uani 1 1 d . . .
H51A H 0.5646 0.5338 -0.1619 0.041 Uiso 1 1 calc R . .
C52 C 0.5549(5) 0.3865(5) -0.1933(3) 0.0405(15) Uani 1 1 d . . .
H52A H 0.4806 0.3759 -0.2084 0.049 Uiso 1 1 calc R . .
C53 C 0.6113(5) 0.3061(5) -0.2000(4) 0.0466(17) Uani 1 1 d . . .
H53A H 0.5756 0.2413 -0.2196 0.056 Uiso 1 1 calc R . .
C54 C 0.7178(5) 0.3206(5) -0.1785(3) 0.0402(15) Uani 1 1 d . . .
H54A H 0.7556 0.2654 -0.1834 0.048 Uiso 1 1 calc R . .
C55 C 0.7728(4) 0.4159(4) -0.1490(3) 0.0298(13) Uani 1 1 d . . .
C56 C 0.8830(4) 0.4323(4) -0.1275(3) 0.0314(13) Uani 1 1 d . . .
H56A H 0.9220 0.3781 -0.1325 0.038 Uiso 1 1 calc R . .
C57 C 0.9339(4) 0.5256(4) -0.0994(3) 0.0312(13) Uani 1 1 d . . .
H57A H 1.0081 0.5361 -0.0860 0.037 Uiso 1 1 calc R . .
C58 C 0.8775(4) 0.6061(4) -0.0901(3) 0.0282(12) Uani 1 1 d . . .
N7 N 0.9343(3) 0.7017(3) -0.0555(2) 0.0300(11) Uani 1 1 d . . .
H7A H 0.9563 0.7425 -0.0808 0.036 Uiso 1 1 calc R . .
O4 O 0.9202(3) 0.6718(3) 0.0522(2) 0.0338(9) Uani 1 1 d . . .
C59 C 0.9527(4) 0.7268(4) 0.0164(3) 0.0305(13) Uani 1 1 d . . .
C60 C 1.0095(4) 0.8267(4) 0.0525(3) 0.0303(13) Uani 1 1 d . . .
C61 C 1.0729(5) 0.8868(5) 0.0270(3) 0.0387(15) Uani 1 1 d . . .
H61A H 1.0829 0.8669 -0.0189 0.046 Uiso 1 1 calc R . .
C62 C 1.1217(5) 0.9770(5) 0.0697(4) 0.0446(16) Uani 1 1 d . . .
H62A H 1.1664 1.0192 0.0536 0.053 Uiso 1 1 calc R . .
C63 C 1.1049(5) 1.0043(5) 0.1352(4) 0.0437(16) Uani 1 1 d . . .
H63A H 1.1389 1.0660 0.1639 0.052 Uiso 1 1 calc R . .
C64 C 0.9960(4) 0.8596(4) 0.1189(3) 0.0348(14) Uani 1 1 d . . .
H64A H 0.9520 0.8182 0.1363 0.042 Uiso 1 1 calc R . .
N8 N 1.0419(4) 0.9474(4) 0.1607(3) 0.0388(12) Uani 1 1 d . . .
C100 C 0.2254(8) 1.9018(7) -0.1524(6) 0.096(3) Uani 1 1 d . . .
H10A H 0.2021 1.8446 -0.1325 0.115 Uiso 1 1 calc R . .
H10B H 0.1713 1.9049 -0.1988 0.115 Uiso 1 1 calc R . .
Cl1 Cl 0.3368(2) 1.88002(16) -0.17079(19) 0.0989(9) Uani 1 1 d . . .
Cl2 Cl 0.23155(19) 2.00792(18) -0.09297(14) 0.0821(7) Uani 1 1 d . . .
C101 C 1.7422(8) 1.0661(11) 0.6134(7) 0.132(5) Uani 1 1 d . . .
H10C H 1.7160 1.0666 0.5604 0.159 Uiso 1 1 calc R . .
H10D H 1.8073 1.1127 0.6329 0.159 Uiso 1 1 calc R . .
Cl3 Cl 1.6501(2) 1.1121(2) 0.6524(2) 0.1252(12) Uani 1 1 d . . .
Cl4 Cl 1.77196(17) 0.95440(18) 0.62535(15) 0.0820(7) Uani 1 1 d . . .
C102 C 0.6354(5) 1.2572(6) -0.0239(4) 0.059(2) Uani 1 1 d . . .
H10E H 0.6015 1.2694 0.0147 0.071 Uiso 1 1 calc R . .
H10F H 0.6064 1.2988 -0.0611 0.071 Uiso 1 1 calc R . .
Cl5 Cl 0.6051(2) 1.13441(17) -0.06336(15) 0.0932(8) Uani 1 1 d . . .
Cl6 Cl 0.77088(14) 1.29410(16) 0.01418(11) 0.0652(5) Uani 1 1 d . . .
C103 C 1.3603(5) 1.7376(6) 0.5131(4) 0.0554(19) Uani 1 1 d . . .
H10G H 1.3897 1.6907 0.5460 0.066 Uiso 1 1 calc R . .
H10H H 1.3922 1.7312 0.4731 0.066 Uiso 1 1 calc R . .
Cl7 Cl 1.3934(2) 1.85878(16) 0.56132(13) 0.0853(7) Uani 1 1 d . . .
Cl8 Cl 1.22491(13) 1.70490(15) 0.47651(11) 0.0603(5) 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 N8 2.162(5) 1_545 ?
Ag1 N1 2.165(5) . ?
Ag2 N4 2.187(5) . ?
Ag2 N5 2.190(4) . ?
N9 O5 1.192(7) . ?
N9 O7 1.230(7) . ?
N9 O6 1.273(7) . ?
N10 O9 1.199(7) . ?
N10 O8 1.224(7) . ?
N10 O10 1.260(7) . ?
N1 C5 1.339(7) . ?
N1 C1 1.347(8) . ?
C1 C2 1.359(8) . ?
C2 C3 1.390(8) . ?
C3 C4 1.392(8) . ?
C4 C5 1.386(8) . ?
C4 C6 1.487(7) . ?
C6 O1 1.234(7) . ?
C6 N2 1.346(7) . ?
N2 C7 1.439(7) . ?
C7 C16 1.361(7) . ?
C7 C8 1.402(8) . ?
C8 C9 1.381(8) . ?
C9 C10 1.411(7) . ?
C10 C11 1.402(8) . ?
C10 C15 1.425(7) . ?
C11 C12 1.352(9) . ?
C12 C13 1.397(9) . ?
C13 C14 1.363(8) . ?
C14 C15 1.409(7) . ?
C15 C16 1.433(7) . ?
C16 C17 1.503(7) . ?
C17 C26 1.382(8) . ?
C17 C18 1.425(8) . ?
C18 C19 1.413(8) . ?
C18 C23 1.419(8) . ?
C19 C20 1.366(8) . ?
C20 C21 1.387(10) . ?
C21 C22 1.355(10) . ?
C22 C23 1.410(9) . ?
C23 C24 1.418(9) . ?
C24 C25 1.370(9) . ?
C25 C26 1.409(8) . ?
C26 N3 1.411(7) . ?
N3 C27 1.349(7) . ?
C27 O2 1.219(6) . ?
C27 C28 1.499(8) . ?
C28 C32 1.380(8) . ?
C28 C29 1.403(8) . ?
C29 C30 1.358(9) . ?
C30 C31 1.379(8) . ?
C31 N4 1.339(8) . ?
C32 N4 1.357(8) . ?
N5 C33 1.341(7) . ?
N5 C37 1.350(7) . ?
C33 C34 1.391(8) . ?
C34 C35 1.363(8) . ?
C35 C36 1.395(8) . ?
C36 C37 1.365(7) . ?
C36 C38 1.503(8) . ?
C38 O3 1.219(6) . ?
C38 N6 1.355(7) . ?
N6 C39 1.419(7) . ?
C39 C48 1.380(8) . ?
C39 C40 1.407(8) . ?
C40 C41 1.359(9) . ?
C41 C42 1.411(9) . ?
C42 C43 1.422(8) . ?
C42 C47 1.424(8) . ?
C43 C44 1.347(9) . ?
C44 C45 1.387(9) . ?
C45 C46 1.356(8) . ?
C46 C47 1.429(8) . ?
C47 C48 1.423(8) . ?
C48 C49 1.490(8) . ?
C49 C58 1.378(7) . ?
C49 C50 1.427(8) . ?
C50 C55 1.413(8) . ?
C50 C51 1.430(8) . ?
C51 C52 1.361(9) . ?
C52 C53 1.393(9) . ?
C53 C54 1.363(9) . ?
C54 C55 1.410(8) . ?
C55 C56 1.412(8) . ?
C56 C57 1.365(8) . ?
C57 C58 1.402(8) . ?
C58 N7 1.437(7) . ?
N7 C59 1.341(7) . ?
O4 C59 1.230(7) . ?
C59 C60 1.491(8) . ?
C60 C64 1.378(8) . ?
C60 C61 1.378(8) . ?
C61 C62 1.390(9) . ?
C62 C63 1.365(9) . ?
C63 N8 1.351(8) . ?
C64 N8 1.349(7) . ?
N8 Ag1 2.162(5) 1_565 ?
C100 Cl1 1.676(10) . ?
C100 Cl2 1.710(10) . ?
C101 Cl4 1.636(13) . ?
C101 Cl3 1.744(14) . ?
C102 Cl5 1.716(8) . ?
C102 Cl6 1.763(7) . ?
C103 Cl7 1.748(8) . ?
C103 Cl8 1.752(7) . ?
