#------------------------------------------------------------------------------
#$Date: 2018-08-19 23:44:13 +0300 (Sun, 19 Aug 2018) $
#$Revision: 209948 $
#$URL: file:///home/coder/svn-repositories/cod/cif/4/06/09/4060989.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_4060989
loop_
_publ_author_name
'Wanniarachchi, Yoshitha A.'
'Khan, Masood A.'
'Slaughter, LeGrande M.'
_publ_section_title
;
 An Unusually Static, Sterically Hindered Silver Bis(N-heterocyclic carbene)
 Complex and Its Use in Transmetalation
;
_journal_coden_ASTM              ORGND7
_journal_issue                   25
_journal_name_full               Organometallics
_journal_page_first              5881
_journal_page_last               5884
_journal_paper_doi               10.1021/om0493098
_journal_volume                  23
_journal_year                    2004
_chemical_formula_sum            'C53 H62 Ag2 B2 Cl6 F8 N8'
_chemical_formula_weight         1413.17
_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                86.8310(10)
_cell_angle_beta                 71.7930(10)
_cell_angle_gamma                68.0620(10)
_cell_formula_units_Z            2
_cell_length_a                   13.7737(13)
_cell_length_b                   14.1295(14)
_cell_length_c                   18.4534(18)
_cell_measurement_temperature    103(2)
_cell_volume                     3156.8(5)
_diffrn_ambient_temperature      103(2)
_exptl_crystal_density_diffrn    1.487
_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               4060989
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 0.600938(13) 0.361954(13) 0.217221(10) 0.02125(4) Uani 1 1 d . . .
N1 N 0.36686(16) 0.36129(16) 0.29369(12) 0.0260(5) Uani 1 1 d . . .
N2 N 0.43522(16) 0.36942(16) 0.38094(11) 0.0237(5) Uani 1 1 d . . .
N3 N 0.59058(16) 0.25375(15) 0.41318(11) 0.0226(5) Uani 1 1 d . . .
N4 N 0.72831(16) 0.11446(15) 0.36974(12) 0.0248(5) Uani 1 1 d . . .
C1 C 0.2809(3) 0.5424(2) 0.21773(19) 0.0440(8) Uani 1 1 d . . .
H1A H 0.2332 0.5503 0.2709 0.066 Uiso 1 1 calc R . .
H1B H 0.2419 0.5935 0.1880 0.066 Uiso 1 1 calc R . .
H1C H 0.3484 0.5520 0.2161 0.066 Uiso 1 1 calc R . .
C2 C 0.3103(2) 0.4368(2) 0.18409(15) 0.0289(6) Uani 1 1 d . . .
C3 C 0.2954(2) 0.4219(2) 0.11442(16) 0.0335(6) Uani 1 1 d . . .
H3A H 0.2661 0.4799 0.0880 0.040 Uiso 1 1 calc R . .
C4 C 0.3221(2) 0.3252(2) 0.08293(15) 0.0337(6) Uani 1 1 d . . .
C5 C 0.3035(3) 0.3112(3) 0.00849(18) 0.0517(9) Uani 1 1 d . . .
H5A H 0.3530 0.2429 -0.0157 0.078 Uiso 1 1 calc R . .
H5B H 0.3187 0.3631 -0.0257 0.078 Uiso 1 1 calc R . .
H5C H 0.2268 0.3184 0.0185 0.078 Uiso 1 1 calc R . .
C6 C 0.3661(2) 0.2411(2) 0.12081(16) 0.0342(6) Uani 1 1 d . . .
H6A H 0.3850 0.1747 0.0991 0.041 Uiso 1 1 calc R . .
C7 C 0.3834(2) 0.2508(2) 0.19002(15) 0.0293(6) Uani 1 1 d . . .
C8 C 0.4343(2) 0.1575(2) 0.22966(19) 0.0424(8) Uani 1 1 d . . .
H8A H 0.3874 0.1634 0.2829 0.064 Uiso 1 1 calc R . .
H8B H 0.5076 0.1525 0.2285 0.064 Uiso 1 1 calc R . .
H8C H 0.4407 0.0960 0.2033 0.064 Uiso 1 1 calc R . .
C9 C 0.35410(19) 0.3494(2) 0.22041(14) 0.0254(6) Uani 1 1 d . . .
C10 C 0.2876(2) 0.3640(2) 0.36333(15) 0.0335(7) Uani 1 1 d . . .
H10A H 0.2169 0.3622 0.3705 0.040 Uiso 1 1 calc R . .
C11 C 0.3305(2) 0.3696(2) 0.41829(15) 0.0307(6) Uani 1 1 d . . .
H11A H 0.2962 0.3730 0.4720 0.037 Uiso 1 1 calc R . .
C12 C 0.45919(19) 0.36344(18) 0.30380(14) 0.0231(5) Uani 1 1 d . . .
C13 C 0.51624(19) 0.36087(18) 0.41933(13) 0.0231(5) Uani 1 1 d . . .
H13A H 0.5589 0.4036 0.3952 0.028 Uiso 1 1 calc R . .
H13B H 0.4781 0.3854 0.4738 0.028 Uiso 1 1 calc R . .
C14 C 0.5608(2) 0.1767(2) 0.45080(14) 0.0288(6) Uani 1 1 d . . .
H14A H 0.4925 0.1843 0.4884 0.035 Uiso 1 1 calc R . .
C15 C 0.6476(2) 0.0887(2) 0.42374(15) 0.0295(6) Uani 1 1 d . . .
H15A H 0.6527 0.0220 0.4386 0.035 Uiso 1 1 calc R . .
C16 C 0.69425(19) 0.21633(18) 0.36230(13) 0.0223(5) Uani 1 1 d . . .
C17 C 0.8352(2) 0.04235(18) 0.32560(14) 0.0258(6) Uani 1 1 d . . .
C18 C 0.9264(2) 0.02848(19) 0.34917(15) 0.0293(6) Uani 1 1 d . . .
C19 C 0.9158(2) 0.0854(2) 0.41938(16) 0.0360(7) Uani 1 1 d . . .
H19A H 0.9801 0.0500 0.4364 0.054 Uiso 1 1 calc R . .
H19B H 0.8487 0.0884 0.4601 0.054 Uiso 1 1 calc R . .
H19C H 0.9115 0.1550 0.4075 0.054 Uiso 1 1 calc R . .
C20 C 1.0286(2) -0.0413(2) 0.30399(16) 0.0332(7) Uani 1 1 d . . .
H20A H 1.0921 -0.0537 0.3189 0.040 Uiso 1 1 calc R . .
C21 C 1.0397(2) -0.0927(2) 0.23824(16) 0.0342(7) Uani 1 1 d . . .
C22 C 1.1516(3) -0.1653(2) 0.1892(2) 0.0487(9) Uani 1 1 d . . .
H22A H 1.2005 -0.1915 0.2206 0.073 Uiso 1 1 calc R . .
H22B H 1.1834 -0.1289 0.1476 0.073 Uiso 1 1 calc R . .
H22C H 1.1432 -0.2226 0.1676 0.073 Uiso 1 1 calc R . .
C23 C 0.9463(2) -0.0770(2) 0.21822(16) 0.0346(7) Uani 1 1 d . . .
H23A H 0.9533 -0.1134 0.1739 0.042 Uiso 1 1 calc R . .
C24 C 0.8429(2) -0.0099(2) 0.26066(15) 0.0300(6) Uani 1 1 d . . .
C25 C 0.7416(2) 0.0070(2) 0.23751(17) 0.0421(8) Uani 1 1 d . . .
H25A H 0.7621 -0.0389 0.1927 0.063 Uiso 1 1 calc R . .
H25B H 0.7111 0.0781 0.2249 0.063 Uiso 1 1 calc R . .
H25C H 0.6862 -0.0073 0.2799 0.063 Uiso 1 1 calc R . .
Ag2 Ag 0.787207(14) 0.297801(13) 0.299637(10) 0.02226(4) Uani 1 1 d . . .
N5 N 0.98408(16) 0.36683(17) 0.26109(12) 0.0277(5) Uani 1 1 d . . .
N6 N 0.87044(15) 0.45879(15) 0.20503(11) 0.0234(5) Uani 1 1 d . . .
N7 N 0.78691(15) 0.43263(15) 0.11529(11) 0.0207(4) Uani 1 1 d . . .
N8 N 0.77267(16) 0.31651(15) 0.05516(11) 0.0227(5) Uani 1 1 d . . .
C26 C 0.88690(19) 0.37995(18) 0.25046(14) 0.0233(5) Uani 1 1 d . . .
C27 C 0.9548(2) 0.4957(2) 0.18765(15) 0.0317(6) Uani 1 1 d . . .
H27A H 0.9608 0.5508 0.1571 0.038 Uiso 1 1 calc R . .
C28 C 1.0261(2) 0.4374(2) 0.22304(16) 0.0355(7) Uani 1 1 d . . .
H28A H 1.0929 0.4434 0.2221 0.043 Uiso 1 1 calc R . .
C29 C 1.0397(2) 0.2900(2) 0.30472(16) 0.0309(6) Uani 1 1 d . . .
C30 C 1.0276(2) 0.3171(2) 0.37953(16) 0.0336(6) Uani 1 1 d . . .
C31 C 0.9553(2) 0.4222(2) 0.41686(18) 0.0428(8) Uani 1 1 d . . .
H31A H 0.8830 0.4424 0.4094 0.064 Uiso 1 1 calc R . .
H31B H 0.9895 0.4709 0.3938 0.064 Uiso 1 1 calc R . .
H31C H 0.9462 0.4220 0.4717 0.064 Uiso 1 1 calc R . .
C32 C 1.0881(2) 0.2415(2) 0.41859(18) 0.0417(7) Uani 1 1 d . . .
H32A H 1.0805 0.2570 0.4700 0.050 Uiso 1 1 calc R . .
C33 C 1.1581(2) 0.1455(2) 0.3843(2) 0.0463(8) Uani 1 1 d . . .
C34 C 1.2249(3) 0.0657(3) 0.4268(2) 0.0695(11) Uani 1 1 d . . .
H34A H 1.2313 -0.0023 0.4117 0.104 Uiso 1 1 calc R . .
H34B H 1.1879 0.0802 0.4820 0.104 Uiso 1 1 calc R . .
H34C H 1.2986 0.0678 0.4140 0.104 Uiso 1 1 calc R . .
C35 C 1.1667(2) 0.1218(2) 0.3101(2) 0.0452(8) Uani 1 1 d . . .
H35A H 1.2143 0.0555 0.2868 0.054 Uiso 1 1 calc R . .
C36 C 1.1071(2) 0.1931(2) 0.26858(17) 0.0358(7) Uani 1 1 d . . .
C37 C 1.1158(3) 0.1651(3) 0.18867(19) 0.0473(9) Uani 1 1 d . . .
H37A H 1.1332 0.2161 0.1544 0.071 Uiso 1 1 calc R . .
H37B H 1.0455 0.1632 0.1884 0.071 Uiso 1 1 calc R . .
H37C H 1.1744 0.0976 0.1711 0.071 Uiso 1 1 calc R . .
C38 C 0.77545(18) 0.50003(18) 0.17707(14) 0.0229(5) Uani 1 1 d . . .
H38A H 0.7073 0.5078 0.2196 0.027 Uiso 1 1 calc R . .
H38B H 0.7690 0.5685 0.1584 0.027 Uiso 1 1 calc R . .
C39 C 0.86346(19) 0.41811(19) 0.04299(14) 0.0256(6) Uani 1 1 d . . .
H39A H 0.9124 0.4530 0.0241 0.031 Uiso 1 1 calc R . .
C40 C 0.85457(19) 0.34491(19) 0.00504(14) 0.0264(6) Uani 1 1 d . . .
H40A H 0.8961 0.3178 -0.0461 0.032 Uiso 1 1 calc R . .
C41 C 0.73059(18) 0.37011(18) 0.12384(13) 0.0207(5) Uani 1 1 d . . .
C42 C 0.74262(19) 0.23481(18) 0.03809(13) 0.0235(5) Uani 1 1 d . . .
C43 C 0.8072(2) 0.13482(19) 0.04821(14) 0.0265(6) Uani 1 1 d . . .
C44 C 0.9043(2) 0.1134(2) 0.07645(16) 0.0326(6) Uani 1 1 d . . .
H44A H 0.9545 0.1435 0.0433 0.049 Uiso 1 1 calc R . .
H44B H 0.9432 0.0393 0.0755 0.049 Uiso 1 1 calc R . .
H44C H 0.8783 0.1434 0.1289 0.049 Uiso 1 1 calc R . .
C45 C 0.7767(2) 0.0564(2) 0.03248(15) 0.0300(6) Uani 1 1 d . . .
H45A H 0.8191 -0.0123 0.0388 0.036 Uiso 1 1 calc R . .
C46 C 0.6856(2) 0.0764(2) 0.00779(15) 0.0300(6) Uani 1 1 d . . .
C47 C 0.6524(2) -0.0104(2) -0.00561(19) 0.0414(7) Uani 1 1 d . . .
H47A H 0.6199 0.0047 -0.0473 0.062 Uiso 1 1 calc R . .
H47B H 0.5981 -0.0178 0.0412 0.062 Uiso 1 1 calc R . .
H47C H 0.7176 -0.0741 -0.0194 0.062 Uiso 1 1 calc R . .
C48 C 0.6259(2) 0.1765(2) -0.00341(15) 0.0304(6) Uani 1 1 d . . .
H48A H 0.5653 0.1898 -0.0220 0.037 Uiso 1 1 calc R . .
C49 C 0.6520(2) 0.2581(2) 0.01174(14) 0.0264(6) Uani 1 1 d . . .
C50 C 0.5850(2) 0.3668(2) 0.00065(17) 0.0342(7) Uani 1 1 d . . .
H50A H 0.5346 0.3667 -0.0268 0.051 Uiso 1 1 calc R . .
H50B H 0.6345 0.3999 -0.0290 0.051 Uiso 1 1 calc R . .
H50C H 0.5423 0.4044 0.0506 0.051 Uiso 1 1 calc R . .
B1 B 0.8636(3) 0.7385(3) 0.0930(2) 0.0368(8) Uani 1 1 d . . .
F1 F 0.75349(15) 0.77512(17) 0.13580(13) 0.0657(6) Uani 1 1 d . . .
F2 F 0.88324(15) 0.80177(13) 0.03566(12) 0.0562(6) Uani 1 1 d . . .
F3 F 0.92891(14) 0.73092(14) 0.13984(10) 0.0474(5) Uani 1 1 d . . .
F4 F 0.89273(12) 0.64040(11) 0.06161(9) 0.0353(4) Uani 1 1 d . . .
B2 B 0.6253(2) 0.6190(2) 0.36339(17) 0.0317(7) Uani 1 1 d . . .
F5 F 0.68826(15) 0.57911(15) 0.41174(10) 0.0523(5) Uani 1 1 d . . .
F6 F 0.53089(13) 0.70231(13) 0.40224(10) 0.0438(5) Uani 1 1 d . . .
F7 F 0.59176(13) 0.54465(12) 0.34311(9) 0.0400(4) Uani 1 1 d . . .
F8 F 0.68531(12) 0.65027(12) 0.29884(8) 0.0350(4) Uani 1 1 d . . .
C51 C 1.5162(3) -0.2259(2) 0.2172(2) 0.0456(8) Uani 1 1 d . . .
H51A H 1.5939 -0.2350 0.1907 0.055 Uiso 1 1 calc R . .
H51B H 1.5037 -0.2225 0.2730 0.055 Uiso 1 1 calc R . .
Cl1 Cl 1.42810(9) -0.11112(8) 0.19248(8) 0.0841(4) Uani 1 1 d . . .
Cl2 Cl 1.49124(7) -0.33105(7) 0.19141(5) 0.0553(2) Uani 1 1 d . . .
C52 C 1.3172(3) -0.3154(4) 0.4074(2) 0.0706(12) Uani 1 1 d . . .
H52A H 1.3457 -0.2631 0.4148 0.085 Uiso 1 1 calc R . .
H52B H 1.3708 -0.3610 0.3620 0.085 Uiso 1 1 calc R . .
Cl3 Cl 1.19085(8) -0.25468(8) 0.39051(6) 0.0676(3) Uani 1 1 d . . .
Cl4 Cl 1.30669(6) -0.38740(6) 0.48796(4) 0.04169(18) Uani 1 1 d . . .
C53 C 0.8547(2) -0.2776(3) 0.32979(19) 0.0471(8) Uani 1 1 d . . .
H53A H 0.8407 -0.3399 0.3231 0.056 Uiso 1 1 calc R . .
H53B H 0.8529 -0.2395 0.2832 0.056 Uiso 1 1 calc R . .
Cl5 Cl 0.75040(8) -0.20053(7) 0.41014(6) 0.0657(3) Uani 1 1 d . . .
Cl6 Cl 0.98537(7) -0.31278(7) 0.34134(6) 0.0630(2) 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 C41 2.093(2) . ?
Ag1 C12 2.095(2) . ?
Ag1 Ag2 3.2039(3) . ?
N1 C12 1.353(3) . ?
N1 C10 1.394(3) . ?
N1 C9 1.443(3) . ?
N2 C12 1.357(3) . ?
N2 C11 1.389(3) . ?
N2 C13 1.465(3) . ?
N3 C16 1.361(3) . ?
N3 C14 1.381(3) . ?
N3 C13 1.463(3) . ?
N4 C16 1.351(3) . ?
N4 C15 1.390(3) . ?
N4 C17 1.446(3) . ?
C1 C2 1.506(4) . ?
C2 C9 1.394(4) . ?
C2 C3 1.402(4) . ?
C3 C4 1.386(4) . ?
C4 C6 1.379(4) . ?
C4 C5 1.510(4) . ?
C6 C7 1.393(4) . ?
C7 C9 1.394(4) . ?
C7 C8 1.513(4) . ?
C10 C11 1.343(4) . ?
C14 C15 1.345(3) . ?
C16 Ag2 2.081(2) . ?
C17 C24 1.398(4) . ?
C17 C18 1.397(4) . ?
C18 C20 1.403(3) . ?
C18 C19 1.502(4) . ?
C20 C21 1.386(4) . ?
C21 C23 1.384(4) . ?
C21 C22 1.516(4) . ?
C23 C24 1.384(3) . ?
C24 C25 1.516(4) . ?
Ag2 C26 2.086(3) . ?
N5 C26 1.356(3) . ?
N5 C28 1.386(4) . ?
N5 C29 1.442(3) . ?
N6 C26 1.350(3) . ?
N6 C27 1.388(3) . ?
N6 C38 1.462(3) . ?
N7 C41 1.352(3) . ?
N7 C39 1.387(3) . ?
N7 C38 1.458(3) . ?
N8 C41 1.355(3) . ?
N8 C40 1.391(3) . ?
N8 C42 1.443(3) . ?
C27 C28 1.345(4) . ?
C29 C36 1.395(4) . ?
C29 C30 1.396(4) . ?
C30 C32 1.406(4) . ?
C30 C31 1.501(4) . ?
C32 C33 1.380(4) . ?
C33 C35 1.386(5) . ?
C33 C34 1.519(5) . ?
C35 C36 1.402(4) . ?
C36 C37 1.505(5) . ?
C39 C40 1.343(4) . ?
C42 C49 1.398(4) . ?
C42 C43 1.399(3) . ?
C43 C45 1.396(4) . ?
C43 C44 1.506(4) . ?
C45 C46 1.393(4) . ?
C46 C48 1.387(4) . ?
C46 C47 1.515(4) . ?
C48 C49 1.395(4) . ?
C49 C50 1.509(4) . ?
B1 F2 1.374(4) . ?
B1 F1 1.380(3) . ?
B1 F4 1.395(4) . ?
B1 F3 1.405(4) . ?
B2 F8 1.377(4) . ?
B2 F5 1.389(4) . ?
B2 F6 1.399(3) . ?
B2 F7 1.405(4) . ?
C51 Cl2 1.764(4) . ?
C51 Cl1 1.762(3) . ?
C52 Cl3 1.748(4) . ?
C52 Cl4 1.753(4) . ?
C53 Cl6 1.759(3) . ?
C53 Cl5 1.768(3) . ?
