
###########################################################################
#
#                 Cambridge Crystallographic Data Centre
#                                CCDC 
# 
###########################################################################
#
#  This CIF contains data generated directly from one or more entries in
#  the Cambridge Structural Database and will include bibliographic, 
#  chemical, crystal, experimental, refinement, and atomic coordinate data,
#  as available.
#     
#  Copyright  2014  The Cambridge Crystallographic Data Centre
# 
#  This CIF is provided on the understanding that it is used for bona fide 
#  research purposes only.  It may contain copyright material of the CCDC
#  or of third parties, and may not be copied or further disseminated in 
#  any form, whether machine-readable or not, except for the purpose of 
#  generating routine backup copies on your local computer system.
# 
#  For further information about the CCDC, data deposition and data 
#  retrieval see <www.ccdc.cam.ac.uk>. Bona fide researchers may freely 
#  download  Mercury and enCIFer from this site to visualise CIF-encoded 
#  structures and to carry out CIF format checking respectively.
#
###########################################################################

data_CSD_CIF_FIJXON
_audit_creation_date 2013-08-12
_audit_creation_method CSD-ConQuest-V1
_database_code_CSD FIJXON
_database_code_depnum_ccdc_archive 'CCDC 742810'
_chemical_formula_sum 'C48 H48 Ag4 N12 O8'
_chemical_formula_moiety
;
(C48 H48 Ag4 N12 O8)n
;
_journal_coden_Cambridge 644
_journal_volume 68
_journal_year 2013
_journal_page_first 357
_journal_name_full 'Z.Naturforsch.,B:Chem.Sci. '
loop_
_publ_author_name
"Di Sun"
"Shuai Yuan"
"Shan-Shan Liu"
"Ya-Qin Zhao"
"Lu-Lu Han"
"Xing-Po Wang"
_chemical_name_systematic
;
catena-[bis(μ₄-Naphthalene-2,6-dicarboxylato)-tetrakis(μ₂-4,6-dimethylpy
rimidin-2-amine)-tetra-silver]
;
_cell_volume   1228.438
_exptl_crystal_colour 'yellow'
_exptl_crystal_density_diffrn 1.828
_exptl_crystal_description 'block'
_diffrn_ambient_temperature 173
#These two values have been output from a single CSD field.
_refine_ls_R_factor_gt 0.0397
_refine_ls_wR_factor_gt 0.0397
_symmetry_cell_setting triclinic
_symmetry_space_group_name_H-M 'P -1'
_symmetry_Int_Tables_number 2
loop_
_symmetry_equiv_pos_site_id
_symmetry_equiv_pos_as_xyz
1 x,y,z
2 -x,-y,-z
_cell_length_a 10.658(3)
_cell_length_b 11.040(3)
_cell_length_c 12.475(4)
_cell_angle_alpha 114.960(5)
_cell_angle_beta 109.552(5)
_cell_angle_gamma 91.748(5)
_cell_formula_units_Z 1
loop_
_atom_type_symbol
_atom_type_radius_bond
C 0.68
H 0.23
Ag 1.45
N 0.68
O 0.68
loop_
_atom_site_label
_atom_site_type_symbol
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
Ag1 Ag 0.34921(4) 0.63536(4) 0.21562(3)
Ag2 Ag 0.59808(4) 0.46981(4) 0.31124(3)
C1 C 0.3189(4) 0.5847(5) 0.4400(4)
C2 C 0.1205(5) 0.5075(5) 0.2628(4)
C3 C 0.0659(5) 0.4381(5) 0.3101(5)
H1 H -0.02550 0.38890 0.26580
C4 C 0.1462(5) 0.4413(5) 0.4232(5)
C5 C 0.0426(5) 0.5038(6) 0.1374(5)
H2 H 0.06330 0.59380 0.14290
H3 H -0.05490 0.47910 0.11560
H4 H 0.06820 0.43600 0.07100
C6 C 0.0971(5) 0.3605(6) 0.4763(6)
H5 H 0.11560 0.41890 0.56690
H6 H 0.14440 0.28420 0.46800
H7 H -0.00090 0.32500 0.42910
C7 C 0.6658(4) 0.3795(5) 0.0492(4)
C8 C 0.6606(5) 0.1625(5) -0.0958(5)
C9 C 0.6626(5) 0.1176(5) -0.0081(5)
H8 H 0.66230 0.02450 -0.02790
C10 C 0.6648(5) 0.2099(5) 0.1084(5)
C11 C 0.6551(6) 0.0678(6) -0.2259(5)
H9 H 0.57600 0.07330 -0.29110
H10 H 0.64750 -0.02570 -0.23690
H11 H 0.73820 0.09380 -0.23510
C12 C 0.6689(6) 0.1672(6) 0.2089(6)
H12 H 0.73600 0.23430 0.29220
H13 H 0.69430 0.07770 0.18660
H14 H 0.57900 0.16160 0.21350
C13 C 0.6258(5) 0.7924(5) 0.3784(5)
C14 C 0.7562(4) 0.8910(4) 0.4290(4)
C15 C 0.7748(5) 1.0277(5) 0.5191(5)
H15 H 0.70040 1.05970 0.54050
C16 C 0.8970(5) 1.1150(5) 0.5764(5)
H16 H 0.90660 1.20720 0.63600
C17 C 0.9902(5) 0.9309(4) 0.4527(5)
C18 C 0.8615(5) 0.8463(5) 0.3951(4)
H17 H 0.84740 0.75550 0.33090
C19 C 0.3158(4) 0.3053(5) 0.1414(4)
C20 C 0.1922(4) 0.1912(5) 0.0694(4)
C21 C 0.1443(4) 0.1376(5) 0.1331(4)
H18 H 0.18830 0.17490 0.22350
C22 C 0.0321(5) 0.0292(5) 0.0677(4)
C23 C -0.0177(5) -0.0278(5) 0.1319(5)
H19 H 0.02430 0.00940 0.22240
C24 C 0.1245(5) 0.1345(5) -0.0659(4)
H20 H 0.15480 0.17240 -0.11070
N1 N 0.4435(4) 0.6593(4) 0.5052(4)
H21 H 0.47730 0.70430 0.47400
H22 H 0.49270 0.66390 0.57970
N2 N 0.2472(3) 0.5806(4) 0.3259(3)
N3 N 0.2721(4) 0.5135(4) 0.4899(3)
N4 N 0.6726(4) 0.5108(4) 0.0803(4)
H23 H 0.67520 0.54020 0.02550
H24 H 0.67450 0.56860 0.15590
N5 N 0.6631(4) 0.2937(4) -0.0681(4)
N6 N 0.6663(4) 0.3402(4) 0.1393(4)
O1 O 0.6089(3) 0.6745(3) 0.2928(3)
O2 O 0.5420(3) 0.8359(3) 0.4284(3)
O3 O 0.3311(3) 0.3749(3) 0.0877(3)
O4 O 0.3934(3) 0.3219(3) 0.2491(3)
C13A C 1.3742(5) 1.2076(5) 0.6216(5)
C14A C 1.2438(4) 1.1090(4) 0.5710(4)
C15A C 1.2252(5) 0.9723(5) 0.4809(5)
H15A H 1.29960 0.94030 0.45950
C16A C 1.1030(5) 0.8850(5) 0.4236(5)
H16A H 1.09340 0.79280 0.36400
C17A C 1.0098(5) 1.0691(4) 0.5473(5)
C18A C 1.1385(5) 1.1537(5) 0.6049(4)
H17A H 1.15260 1.24450 0.66910
O1A O 1.3911(3) 1.3255(3) 0.7072(3)
O2A O 1.4580(3) 1.1641(3) 0.5716(3)
C19A C -0.3158(4) -0.3053(5) -0.1414(4)
C20A C -0.1922(4) -0.1912(5) -0.0694(4)
C21A C -0.1443(4) -0.1376(5) -0.1331(4)
H18A H -0.18830 -0.17490 -0.22350
C22A C -0.0321(5) -0.0292(5) -0.0677(4)
C23A C 0.0177(5) 0.0278(5) -0.1319(5)
H19A H -0.02430 -0.00940 -0.22240
C24A C -0.1245(5) -0.1345(5) 0.0659(4)
H20A H -0.15480 -0.17240 0.11070
O3A O -0.3311(3) -0.3749(3) -0.0877(3)
O4A O -0.3934(3) -0.3219(3) -0.2491(3)
Ag1A Ag -0.34921(4) -0.63536(4) -0.21562(3)
Ag2A Ag -0.59808(4) -0.46981(4) -0.31124(3)
C1A C -0.3189(4) -0.5847(5) -0.4400(4)
C2A C -0.1205(5) -0.5075(5) -0.2628(4)
C3A C -0.0659(5) -0.4381(5) -0.3101(5)
H1A H 0.02550 -0.38890 -0.26580
C4A C -0.1462(5) -0.4413(5) -0.4232(5)
C5A C -0.0426(5) -0.5038(6) -0.1374(5)
H2A H -0.06330 -0.59380 -0.14290
H3A H 0.05490 -0.47910 -0.11560
H4A H -0.06820 -0.43600 -0.07100
C6A C -0.0971(5) -0.3605(6) -0.4763(6)
H5A H -0.11560 -0.41890 -0.56690
H6A H -0.14440 -0.28420 -0.46800
H7A H 0.00090 -0.32500 -0.42910
C7A C -0.6658(4) -0.3795(5) -0.0492(4)
C8A C -0.6606(5) -0.1625(5) 0.0958(5)
C9A C -0.6626(5) -0.1176(5) 0.0081(5)
H8A H -0.66230 -0.02450 0.02790
C10A C -0.6648(5) -0.2099(5) -0.1084(5)
C11A C -0.6551(6) -0.0678(6) 0.2259(5)
H9A H -0.57600 -0.07330 0.29110
H10A H -0.64750 0.02570 0.23690
H11A H -0.73820 -0.09380 0.23510
C12A C -0.6689(6) -0.1672(6) -0.2089(6)
H12A H -0.73600 -0.23430 -0.29220
H13A H -0.69430 -0.07770 -0.18660
H14A H -0.57900 -0.16160 -0.21350
N1A N -0.4435(4) -0.6593(4) -0.5052(4)
H21A H -0.47730 -0.70430 -0.47400
H22A H -0.49270 -0.66390 -0.57970
N2A N -0.2472(3) -0.5806(4) -0.3259(3)
N3A N -0.2721(4) -0.5135(4) -0.4899(3)
N4A N -0.6726(4) -0.5108(4) -0.0803(4)
H23A H -0.67520 -0.54020 -0.02550
H24A H -0.67450 -0.56860 -0.15590
N5A N -0.6631(4) -0.2937(4) 0.0681(4)
N6A N -0.6663(4) -0.3402(4) -0.1393(4)
Ag1* Ag -0.65079(4) -0.36464(4) 0.21562(3)
Ag1A* Ag 0.65079(4) 0.36464(4) -0.21562(3)
Ag1A** Ag 1.65079(4) 1.36464(4) 0.78438(3)
Ag2* Ag -0.40192(4) -0.53019(4) -0.68876(3)
Ag2A* Ag 0.40192(4) 0.53019(4) 0.68876(3)
Ag2A** Ag 1.40192(4) 1.53019(4) 0.68876(3)
N3* N -0.7279(4) -0.4865(4) -0.5101(3)
N3A* N 0.7279(4) 0.4865(4) 0.5101(3)
N5* N -0.3369(4) -0.7063(4) -0.0681(4)
N5A* N 0.3369(4) 0.7063(4) 0.0681(4)
O1A* O -0.6089(3) -0.6745(3) -0.2928(3)
O2A* O -0.5420(3) -0.8359(3) -0.4284(3)
#END

data_CSD_CIF_GEZVEO
_audit_creation_date 2013-05-23
_audit_creation_method CSD-ConQuest-V1
_database_code_CSD GEZVEO
_database_code_depnum_ccdc_archive 'CCDC 880754'
_chemical_formula_sum 'C12 H10 Ag1 F4 N5 O3'
_chemical_formula_moiety
;
(C12 H10 Ag1 F4 N5 O3)n
;
_journal_coden_Cambridge 1350
_journal_volume 15
_journal_year 2013
_journal_page_first 4225
_journal_name_full 'CrystEngComm '
loop_
_publ_author_name
"J.Eberhard"
"I.Stoll"
"R.Brockhinke"
"B.Neumann"
"H.-G.Stammler"
"A.Riefer"
"E.Rauls"
"W.G.Schmidt"
"J.Mattay"
_chemical_name_systematic
;
catena-((μ₂-5-(4-(Dimethylamino)-2,3,5,6-tetrafluorophenyl)pyrimidin-2-amin
e)-(μ₂-nitrato)-silver)
;
_cell_volume   3059.344
_exptl_crystal_colour 'yellow'
_exptl_crystal_density_diffrn 1.981
_diffrn_ambient_temperature 220
#These two values have been output from a single CSD field.
_refine_ls_R_factor_gt 0.0336
_refine_ls_wR_factor_gt 0.0336
_symmetry_cell_setting monoclinic
_symmetry_space_group_name_H-M 'C 2/c'
_symmetry_Int_Tables_number 15
loop_
_symmetry_equiv_pos_site_id
_symmetry_equiv_pos_as_xyz
1 x,y,z
2 -x,y,1/2-z
3 1/2+x,1/2+y,z
4 1/2-x,1/2+y,1/2-z
5 -x,-y,-z
6 x,-y,-1/2+z
7 -1/2-x,-1/2-y,-z
8 -1/2+x,-1/2-y,-1/2+z
_cell_length_a 7.8308(3)
_cell_length_b 31.6394(14)
_cell_length_c 12.6258(5)
_cell_angle_alpha 90
_cell_angle_beta 102.043(3)
_cell_angle_gamma 90
_cell_formula_units_Z 8
loop_
_atom_type_symbol
_atom_type_radius_bond
C 0.68
H 0.23
Ag 1.45
F 0.64
N 0.68
O 0.68
loop_
_atom_site_label
_atom_site_type_symbol
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
Ag1 Ag 0.26428(3) 0.497196(7) 0.538016(17)
F1 F 0.0669(2) 0.35251(6) 0.12419(13)
F2 F 0.0606(3) 0.26960(6) 0.12725(15)
F3 F 0.5226(3) 0.27051(5) 0.43800(14)
F4 F 0.5120(2) 0.35325(5) 0.44031(13)
O1 O -0.0094(4) 0.45889(9) 0.5556(3)
O2 O 0.1590(5) 0.40836(9) 0.6125(2)
O3 O -0.1277(5) 0.40275(9) 0.5850(3)
N1 N 0.2929(3) 0.46795(8) 0.38422(18)
N2 N 0.3027(4) 0.53157(10) 0.2957(2)
H1 H 0.268(4) 0.543(1) 0.348(3)
H2 H 0.284(5) 0.5459(14) 0.240(3)
N3 N 0.2893(3) 0.47003(7) 0.19475(18)
N4 N 0.2903(4) 0.22185(9) 0.2876(2)
N5 N 0.0055(5) 0.42202(9) 0.5857(2)
C1 C 0.2937(4) 0.48941(11) 0.2917(2)
C2 C 0.2855(4) 0.42780(9) 0.1934(2)
H3 H 0.28160 0.41400 0.12710
C3 C 0.2869(4) 0.40334(9) 0.2845(2)
C4 C 0.2875(4) 0.42579(9) 0.3791(2)
H4 H 0.28400 0.41060 0.44260
C5 C 0.2868(4) 0.35670(9) 0.2827(2)
C6 C 0.1832(4) 0.33262(10) 0.2036(2)
C7 C 0.1807(4) 0.28908(11) 0.2042(2)
C8 C 0.2887(4) 0.26528(11) 0.2841(2)
C9 C 0.3999(4) 0.2897(1) 0.3615(2)
C10 C 0.3960(4) 0.33303(9) 0.3624(2)
C11 C 0.2490(5) 0.19598(12) 0.1912(3)
H5 H 0.12630 0.18840 0.17720
H6 H 0.31960 0.17050 0.20170
H7 H 0.27320 0.21170 0.13000
C12 C 0.3037(5) 0.19942(11) 0.3894(3)
H8 H 0.41880 0.18690 0.41050
H9 H 0.21580 0.17740 0.38080
H10 H 0.28530 0.21900 0.44500
Ag1D Ag -0.26428(3) 0.502804(7) 0.461984(17)
Ag1E Ag 0.26428(3) 0.502804(7) 0.038016(17)
O1D O 0.0094(4) 0.54111(9) 0.4444(3)
N3E N 0.2893(3) 0.52997(7) 0.69475(18)
#END

data_CSD_CIF_GEZVIS
_audit_creation_date 2013-05-23
_audit_creation_method CSD-ConQuest-V1
_database_code_CSD GEZVIS
_database_code_depnum_ccdc_archive 'CCDC 880753'
_chemical_formula_sum 'C12 H10 Ag1 F4 N5 O3'
_chemical_formula_moiety
;
(C12 H10 Ag1 F4 N5 O3)n
;
_journal_coden_Cambridge 1350
_journal_volume 15
_journal_year 2013
_journal_page_first 4225
_journal_name_full 'CrystEngComm '
loop_
_publ_author_name
"J.Eberhard"
"I.Stoll"
"R.Brockhinke"
"B.Neumann"
"H.-G.Stammler"
"A.Riefer"
"E.Rauls"
"W.G.Schmidt"
"J.Mattay"
_chemical_name_systematic
;
catena-((μ₂-5-(4-(Dimethylamino)-2,3,5,6-tetrafluorophenyl)pyrimidin-2-amin
e)-(μ₂-nitrato)-silver)
;
_cell_volume   1428.304
_exptl_crystal_colour 'colorless'
_exptl_crystal_density_diffrn 2.121
_exptl_crystal_description 'needle'
_diffrn_ambient_temperature 100
#These two values have been output from a single CSD field.
_refine_ls_R_factor_gt 0.0267
_refine_ls_wR_factor_gt 0.0267
_symmetry_cell_setting monoclinic
_symmetry_space_group_name_H-M 'P 21/c'
_symmetry_Int_Tables_number 14
loop_
_symmetry_equiv_pos_site_id
_symmetry_equiv_pos_as_xyz
1 x,y,z
2 -x,1/2+y,1/2-z
3 -x,-y,-z
4 x,-1/2-y,-1/2+z
_cell_length_a 6.3287(1)
_cell_length_b 25.1946(8)
_cell_length_c 9.1130(3)
_cell_angle_alpha 90
_cell_angle_beta 100.5912(17)
_cell_angle_gamma 90
_cell_formula_units_Z 4
loop_
_atom_type_symbol
_atom_type_radius_bond
C 0.68
H 0.23
Ag 1.45
F 0.64
N 0.68
O 0.68
loop_
_atom_site_label
_atom_site_type_symbol
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
Ag1 Ag 0.133740(19) 0.335901(6) 0.507394(17)
F1 F -0.78991(15) 0.47944(5) 0.16218(13)
F2 F -0.82211(16) 0.56159(5) -0.01808(12)
F3 F -0.09497(16) 0.60688(5) 0.17635(13)
F4 F -0.06388(15) 0.52410(5) 0.35118(12)
O1 O 0.3290(2) 0.27077(6) 0.39764(16)
O2 O 0.29546(19) 0.20705(6) 0.23543(16)
O3 O 0.0192(2) 0.25549(7) 0.25785(18)
N1 N -0.1833(2) 0.37576(7) 0.46706(18)
N2 N -0.3131(3) 0.32169(8) 0.6353(2)
H1 H -0.409(4) 0.3097(11) 0.669(3)
H2 H -0.189(3) 0.3048(10) 0.652(2)
N3 N -0.5401(2) 0.38617(7) 0.51542(18)
N4 N -0.4832(3) 0.63005(7) -0.0325(2)
N5 N 0.2125(2) 0.24448(7) 0.29657(18)
C1 C -0.3450(3) 0.36142(8) 0.5383(2)
C2 C -0.5599(3) 0.42986(8) 0.4310(2)
H3 H -0.69140 0.44890 0.41960
C3 C -0.3999(3) 0.44928(8) 0.3587(2)
C4 C -0.2145(3) 0.41810(8) 0.3780(2)
H4 H -0.10440 0.42760 0.32470
C5 C -0.4234(3) 0.49694(8) 0.2640(2)
C6 C -0.6158(3) 0.51152(8) 0.1706(2)
C7 C -0.6339(3) 0.55451(8) 0.0781(2)
C8 C -0.4625(3) 0.58907(8) 0.0691(2)
C9 C -0.2701(3) 0.57549(8) 0.1664(2)
C10 C -0.2539(3) 0.53155(8) 0.2568(2)
C11 C -0.6663(3) 0.66659(9) -0.0465(3)
H5 H -0.76500 0.65450 0.01790
H6 H -0.74190 0.66730 -0.15050
H7 H -0.61450 0.70230 -0.01630
C12 C -0.3009(3) 0.64947(9) -0.0925(3)
H8 H -0.23260 0.67870 -0.03040
H9 H -0.35000 0.66210 -0.19480
H10 H -0.19690 0.62070 -0.09290
Ag1* Ag -0.866260(19) 0.335901(6) 0.507394(17)
Ag1C Ag 0.133740(19) 0.164099(6) 0.007394(17)
O2C O 0.29546(19) 0.29295(6) 0.73543(16)
N3* N 0.4599(2) 0.38617(7) 0.51542(18)
#END

data_CSD_CIF_GEZVOY
_audit_creation_date 2013-05-23
_audit_creation_method CSD-ConQuest-V1
_database_code_CSD GEZVOY
_database_code_depnum_ccdc_archive 'CCDC 880752'
_chemical_formula_sum 'C12 H10 Ag1 Cl1 F4 N4 O4'
_chemical_formula_moiety
;
(C12 H10 Ag1 Cl1 F4 N4 O4)n
;
_journal_coden_Cambridge 1350
_journal_volume 15
_journal_year 2013
_journal_page_first 4225
_journal_name_full 'CrystEngComm '
loop_
_publ_author_name
"J.Eberhard"
"I.Stoll"
"R.Brockhinke"
"B.Neumann"
"H.-G.Stammler"
"A.Riefer"
"E.Rauls"
"W.G.Schmidt"
"J.Mattay"
_chemical_name_systematic
;
catena-((μ₂-5-(4-(Dimethylamino)-2,3,5,6-tetrafluorophenyl)pyrimidin-2-amin
e)-(μ₂-perchlorato)-silver)
;
_cell_volume   1498.083
_exptl_crystal_colour 'colorless'
_exptl_crystal_density_diffrn 2.188
_diffrn_ambient_temperature 100
#These two values have been output from a single CSD field.
_refine_ls_R_factor_gt 0.0315
_refine_ls_wR_factor_gt 0.0315
_symmetry_cell_setting monoclinic
_symmetry_space_group_name_H-M 'P 21/c'
_symmetry_Int_Tables_number 14
loop_
_symmetry_equiv_pos_site_id
_symmetry_equiv_pos_as_xyz
1 x,y,z
2 -x,1/2+y,1/2-z
3 -x,-y,-z
4 x,-1/2-y,-1/2+z
_cell_length_a 6.4222(1)
_cell_length_b 16.1283(3)
_cell_length_c 14.7568(3)
_cell_angle_alpha 90
_cell_angle_beta 101.4489(13)
_cell_angle_gamma 90
_cell_formula_units_Z 4
loop_
_atom_type_symbol
_atom_type_radius_bond
C 0.68
H 0.23
Ag 1.45
Cl 0.99
F 0.64
N 0.68
O 0.68
loop_
_atom_site_label
_atom_site_type_symbol
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
Ag1 Ag 0.51584(3) 0.639004(10) 0.581967(13)
Cl1 Cl 0.44999(8) 0.56360(3) 0.36349(4)
F1 F -0.2543(2) 0.92032(8) 0.69264(10)
F2 F -0.2318(2) 1.08266(8) 0.71148(10)
F3 F 0.3622(2) 1.08602(8) 0.56435(10)
F4 F 0.3421(2) 0.92374(8) 0.54852(10)
O1 O 0.3279(3) 0.57037(11) 0.43656(12)
O2 O 0.4061(3) 0.48339(10) 0.31957(12)
O3 O 0.6731(3) 0.56916(11) 0.40435(12)
O4 O 0.3907(3) 0.62798(10) 0.29709(13)
N1 N 0.2113(3) 0.69211(11) 0.61105(14)
N2 N 0.0124(3) 0.57177(13) 0.58628(15)
H1 H -0.097(4) 0.5481(16) 0.5749(19)
H2 H 0.128(4) 0.5442(15) 0.5986(17)
N3 N -0.1683(3) 0.69665(12) 0.58342(14)
N4 N 0.0845(4) 1.17700(14) 0.6525(2)
C1 C 0.0179(3) 0.65413(15) 0.59363(16)
C2 C -0.1574(4) 0.77937(14) 0.58991(16)
H3 H -0.28650 0.80990 0.57950
C3 C 0.0332(3) 0.82323(14) 0.61115(16)
C4 C 0.2158(4) 0.77417(14) 0.62229(16)
H4 H 0.35020 0.80060 0.63870
C5 C 0.0431(3) 0.91440(14) 0.61999(16)
C6 C -0.1014(3) 0.95999(14) 0.65911(16)
C7 C -0.0887(4) 1.04489(14) 0.66899(17)
C8 C 0.0689(4) 1.09242(14) 0.64031(18)
C9 C 0.2112(4) 1.04624(15) 0.60049(17)
C10 C 0.2005(4) 0.96153(14) 0.59132(16)
C11 C -0.0997(4) 1.23009(15) 0.63355(19)
H5 H -0.22490 1.19730 0.60630
H6 H -0.07750 1.27370 0.59020
H7 H -0.12180 1.25530 0.69130
C12 C 0.2879(4) 1.21800(15) 0.67656(19)
H8 H 0.39600 1.17800 0.70520
H9 H 0.27900 1.26310 0.72020
H10 H 0.32670 1.24080 0.62060
Ag1* Ag -0.48416(3) 0.639004(10) 0.581967(13)
Ag1B Ag 0.48416(3) 0.360996(10) 0.418033(13)
O2B O 0.5939(3) 0.51661(10) 0.68043(12)
N3* N 0.8317(3) 0.69665(12) 0.58342(14)
#END

data_CSD_CIF_GEZVUE
_audit_creation_date 2013-05-23
_audit_creation_method CSD-ConQuest-V1
_database_code_CSD GEZVUE
_database_code_depnum_ccdc_archive 'CCDC 880751'
_chemical_formula_sum 'C15 H16 Ag1 F7 N4 O4 S1'
_chemical_formula_moiety
;
(C14 H16 Ag1 F4 N4 O1 1+)n,n(C1 F3 O3 S1 1-)
;
_journal_coden_Cambridge 1350
_journal_volume 15
_journal_year 2013
_journal_page_first 4225
_journal_name_full 'CrystEngComm '
loop_
_publ_author_name
"J.Eberhard"
"I.Stoll"
"R.Brockhinke"
"B.Neumann"
"H.-G.Stammler"
"A.Riefer"
"E.Rauls"
"W.G.Schmidt"
"J.Mattay"
_chemical_name_systematic
;
catena-((μ₂-5-(4-(dimethylamino)-2,3,5,6-tetrafluorophenyl)pyrimidin-2-amin
e)-(ethanol)-silver trifluoromethanesulfonate)
;
_cell_volume   2062.418
_exptl_crystal_colour 'colorless'
_exptl_crystal_density_diffrn 1.898
_exptl_crystal_description 'plate'
_diffrn_ambient_temperature 100
#These two values have been output from a single CSD field.
_refine_ls_R_factor_gt 0.0317
_refine_ls_wR_factor_gt 0.0317
_symmetry_cell_setting monoclinic
_symmetry_space_group_name_H-M 'P 21/c'
_symmetry_Int_Tables_number 14
loop_
_symmetry_equiv_pos_site_id
_symmetry_equiv_pos_as_xyz
1 x,y,z
2 -x,1/2+y,1/2-z
3 -x,-y,-z
4 x,-1/2-y,-1/2+z
_cell_length_a 13.6509(5)
_cell_length_b 10.3996(3)
_cell_length_c 15.5497(6)
_cell_angle_alpha 90
_cell_angle_beta 110.8880(19)
_cell_angle_gamma 90
_cell_formula_units_Z 4
loop_
_atom_type_symbol
_atom_type_radius_bond
C 0.68
H 0.23
Ag 1.45
F 0.64
N 0.68
O 0.68
S 1.02
loop_
_atom_site_label
_atom_site_type_symbol
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
Ag1 Ag 0.633157(15) 0.259829(17) 0.771501(14)
F1 F 0.13630(11) 0.43929(15) 0.45738(10)
F2 F 0.03804(11) 0.38149(15) 0.28196(11)
F3 F 0.36407(12) 0.28674(16) 0.25259(11)
F4 F 0.46215(11) 0.35782(14) 0.42406(11)
O1 O 0.77691(15) 0.36658(18) 0.75643(16)
H1 H 0.771(3) 0.347(4) 0.704(3)
N1 N 0.49594(16) 0.38702(19) 0.69214(15)
N2 N 0.4974(2) 0.5007(2) 0.82037(17)
H2 H 0.541(2) 0.455(3) 0.854(2)
H3 H 0.469(3) 0.555(4) 0.851(3)
N3 N 0.37628(15) 0.55945(19) 0.67996(15)
N4 N 0.1422(2) 0.2976(3) 0.16848(18)
C1 C 0.45607(19) 0.4817(2) 0.73003(18)
C2 C 0.32885(19) 0.5324(2) 0.59088(18)
H4 H 0.27170 0.58490 0.55550
C3 C 0.35870(19) 0.4313(2) 0.54721(18)
C4 C 0.44697(19) 0.3638(2) 0.60285(19)
H5 H 0.47360 0.29740 0.57540
C5 C 0.30414(19) 0.3997(2) 0.44949(18)
C6 C 0.19500(19) 0.4020(2) 0.40743(18)
C7 C 0.14343(19) 0.3693(2) 0.3177(2)
C8 C 0.1966(2) 0.3277(2) 0.26009(19)
C9 C 0.3045(2) 0.3269(2) 0.30097(19)
C10 C 0.35642(19) 0.3622(2) 0.39155(19)
C11 C 0.0602(2) 0.2009(3) 0.1448(2)
H6 H 0.08320 0.12480 0.12000
H7 H -0.00350 0.23570 0.09840
H8 H 0.04550 0.17710 0.20000
C12 C 0.1810(2) 0.3355(3) 0.0976(2)
H9 H 0.22870 0.40870 0.11900
H10 H 0.12200 0.36020 0.04220
H11 H 0.21870 0.26340 0.08310
C13 C 0.8834(2) 0.3440(3) 0.8158(2)
H12 H 0.91360 0.42490 0.84790
H13 H 0.92520 0.31770 0.77820
C14 C 0.8907(2) 0.2420(3) 0.8856(2)
H14 H 0.85110 0.26880 0.92410
H15 H 0.96440 0.22880 0.92430
H16 H 0.86150 0.16150 0.85410
S1 S 0.69768(5) 0.16613(6) 0.54776(5)
F5 F 0.72591(16) -0.08207(16) 0.56466(14)
F6 F 0.86685(14) 0.0252(2) 0.58417(14)
F7 F 0.79922(17) 0.02424(19) 0.68992(13)
O2 O 0.61035(15) 0.15613(18) 0.57891(14)
O3 O 0.67275(14) 0.14793(17) 0.45010(13)
O4 O 0.76711(17) 0.27314(18) 0.58626(14)
C15 C 0.7768(2) 0.0259(3) 0.5996(2)
Ag1A Ag 0.366843(15) 0.759829(17) 0.728499(14)
N3A N 0.62372(15) 0.05945(19) 0.82004(15)
#END

data_CSD_CIF_GEZWAL
_audit_creation_date 2013-05-23
_audit_creation_method CSD-ConQuest-V1
_database_code_CSD GEZWAL
_database_code_depnum_ccdc_archive 'CCDC 880750'
_chemical_formula_sum 'C14 H10 Ag1 F7 N4 O2'
_chemical_formula_moiety
;
(C14 H10 Ag1 F7 N4 O2)n
;
_journal_coden_Cambridge 1350
_journal_volume 15
_journal_year 2013
_journal_page_first 4225
_journal_name_full 'CrystEngComm '
loop_
_publ_author_name
"J.Eberhard"
"I.Stoll"
"R.Brockhinke"
"B.Neumann"
"H.-G.Stammler"
"A.Riefer"
"E.Rauls"
"W.G.Schmidt"
"J.Mattay"
_chemical_name_systematic
;
catena-((μ₂-5-(4-(Dimethylamino)-2,3,5,6-tetrafluorophenyl)pyrimidin-2-amin
e)-(trifluoroacetato)-silver)
;
_cell_volume   3281.830
_exptl_crystal_colour 'colorless'
_exptl_crystal_density_diffrn 2.053
_exptl_crystal_description 'needle'
_diffrn_ambient_temperature 100
_refine_special_details
;
C14A,F5A,F6A,F7A and C14B,F5B,F6B,F7B disordered over two sites with 
occupancies 0.843:0.157.
;
#These two values have been output from a single CSD field.
_refine_ls_R_factor_gt 0.0384
_refine_ls_wR_factor_gt 0.0384
_symmetry_cell_setting monoclinic
_symmetry_space_group_name_H-M 'C 2/c'
_symmetry_Int_Tables_number 15
loop_
_symmetry_equiv_pos_site_id
_symmetry_equiv_pos_as_xyz
1 x,y,z
2 -x,y,1/2-z
3 1/2+x,1/2+y,z
4 1/2-x,1/2+y,1/2-z
5 -x,-y,-z
6 x,-y,-1/2+z
7 -1/2-x,-1/2-y,-z
8 -1/2+x,-1/2-y,-1/2+z
_cell_length_a 28.875(8)
_cell_length_b 6.4421(2)
_cell_length_c 20.640(4)
_cell_angle_alpha 90
_cell_angle_beta 121.264(12)
_cell_angle_gamma 90
_cell_formula_units_Z 8
loop_
_atom_type_symbol
_atom_type_radius_bond
C 0.68
H 0.23
Ag 1.45
F 0.64
N 0.68
O 0.68
loop_
_atom_site_label
_atom_site_type_symbol
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
Ag1 Ag 0.529238(12) -0.06376(4) 0.459274(15)
F1 F 0.37872(9) 0.7480(3) 0.19895(12)
F2 F 0.30670(9) 0.7204(4) 0.05398(12)
F3 F 0.37556(9) 0.0554(3) 0.04757(12)
F4 F 0.44506(9) 0.0789(3) 0.19252(12)
F5 F 0.68940(13) 0.1451(5) 0.72707(17)
F6 F 0.6556(2) -0.1153(10) 0.7543(3)
F7 F 0.70359(14) -0.1588(8) 0.70132(18)
O1 O 0.60636(11) -0.1546(4) 0.57439(15)
O2 O 0.58375(12) 0.1188(4) 0.62017(15)
N1 N 0.50376(12) 0.2529(5) 0.40653(17)
N2 N 0.56411(14) 0.4408(6) 0.51294(18)
H1 H 0.5794(17) 0.552(7) 0.532(2)
H2 H 0.569(2) 0.332(8) 0.537(3)
N3 N 0.51571(13) 0.6181(5) 0.39948(17)
N4 N 0.29709(14) 0.3756(6) -0.03289(18)
C1 C 0.52749(14) 0.4385(6) 0.43866(19)
C2 C 0.48051(16) 0.6099(6) 0.3244(2)
H3 H 0.47270 0.73420 0.29580
C3 C 0.45499(15) 0.4277(6) 0.28661(19)
C4 C 0.46764(15) 0.2527(6) 0.3321(2)
H4 H 0.44970 0.12630 0.30900
C5 C 0.41575(15) 0.4159(6) 0.2033(2)
C6 C 0.37973(15) 0.5764(6) 0.1627(2)
C7 C 0.34219(15) 0.5627(6) 0.0860(2)
C8 C 0.33693(16) 0.3868(6) 0.0424(2)
C9 C 0.37324(15) 0.2280(6) 0.0832(2)
C10 C 0.41073(15) 0.2418(6) 0.1601(2)
C11 C 0.28963(19) 0.5453(7) -0.0845(2)
H5 H 0.31260 0.66270 -0.05530
H6 H 0.25160 0.58880 -0.11200
H7 H 0.29970 0.49810 -0.12070
C12 C 0.27527(17) 0.1755(7) -0.0692(2)
H8 H 0.29720 0.12040 -0.08890
H9 H 0.23780 0.19340 -0.11100
H10 H 0.27620 0.07840 -0.03200
C13 C 0.61356(16) -0.0266(6) 0.6245(2)
C14 C 0.6663(2) -0.0415(12) 0.7021(3)
F8? F 0.6667(7) -0.331(3) 0.7071(10)
F9? F 0.6634(13) -0.065(5) 0.760(2)
F10? F 0.7076(10) -0.050(4) 0.7136(14)
C15? C 0.6596(16) -0.133(7) 0.6979(19)
Ag1* Ag 0.529238(12) 0.93624(4) 0.459274(15)
N3* N 0.51571(13) -0.3819(5) 0.39948(17)
#END

data_CSD_CIF_GEZWIT
_audit_creation_date 2013-05-23
_audit_creation_method CSD-ConQuest-V1
_database_code_CSD GEZWIT
_database_code_depnum_ccdc_archive 'CCDC 880748'
_chemical_formula_sum 'C11 H7 Ag1 F4 N4 O4'
_chemical_formula_moiety
;
(C11 H7 Ag1 F4 N4 O4)n
;
_journal_coden_Cambridge 1350
_journal_volume 15
_journal_year 2013
_journal_page_first 4225
_journal_name_full 'CrystEngComm '
loop_
_publ_author_name
"J.Eberhard"
"I.Stoll"
"R.Brockhinke"
"B.Neumann"
"H.-G.Stammler"
"A.Riefer"
"E.Rauls"
"W.G.Schmidt"
"J.Mattay"
_chemical_name_systematic
;
catena-((μ~2~-5-(2,3,5,6-tetrafluoro-4-methoxyphenyl)pyrimidin-2-amine)-(μ~2
~-nitrato)-silver)
;
_cell_volume   1320.460
_exptl_crystal_colour 'colorless'
_exptl_crystal_density_diffrn 2.229
_exptl_crystal_description 'plate'
_diffrn_ambient_temperature 100
#These two values have been output from a single CSD field.
_refine_ls_R_factor_gt 0.0233
_refine_ls_wR_factor_gt 0.0233
_symmetry_cell_setting monoclinic
_symmetry_space_group_name_H-M 'P 21/c'
_symmetry_Int_Tables_number 14
loop_
_symmetry_equiv_pos_site_id
_symmetry_equiv_pos_as_xyz
1 x,y,z
2 -x,1/2+y,1/2-z
3 -x,-y,-z
4 x,-1/2-y,-1/2+z
_cell_length_a 18.417(7)
_cell_length_b 6.3990(8)
_cell_length_c 11.262(4)
_cell_angle_alpha 90
_cell_angle_beta 95.79(3)
_cell_angle_gamma 90
_cell_formula_units_Z 4
loop_
_atom_type_symbol
_atom_type_radius_bond
C 0.68
H 0.23
Ag 1.45
F 0.64
N 0.68
O 0.68
loop_
_atom_site_label
_atom_site_type_symbol
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
Ag1 Ag 0.395864(9) 1.32433(2) 0.424420(13)
F1 F 0.16574(7) 0.4951(2) 0.15230(12)
F2 F 0.06975(7) 0.5078(2) -0.03921(12)
F3 F 0.15192(8) 1.1832(2) -0.13089(12)
F4 F 0.25041(8) 1.1686(2) 0.05596(12)
O1 O 0.05869(9) 0.8539(3) -0.19038(15)
O2 O 0.47510(9) 1.1135(3) 0.29456(14)
O3 O 0.39546(8) 1.2827(3) 0.17557(14)
O4 O 0.47531(9) 1.0825(3) 0.10178(13)
N1 N 0.32706(10) 1.0114(3) 0.39040(16)
N2 N 0.40096(11) 0.8233(3) 0.52810(18)
H1 H 0.4083(13) 0.932(4) 0.566(2)
H2 H 0.4213(16) 0.719(5) 0.545(3)
N3 N 0.34532(10) 0.6431(3) 0.36544(16)
N4 N 0.44888(10) 1.1613(3) 0.19169(16)
C1 C 0.35750(12) 0.8256(3) 0.42643(19)
C2 C 0.30066(12) 0.6501(4) 0.2649(2)
H3 H 0.2953(13) 0.528(4) 0.220(2)
C3 C 0.26391(12) 0.8305(3) 0.22429(19)
C4 C 0.27991(12) 1.0092(4) 0.29263(19)
H4 H 0.2570(14) 1.140(4) 0.271(2)
C5 C 0.21167(12) 0.8340(3) 0.11496(19)
C6 C 0.16417(13) 0.6683(3) 0.0842(2)
C7 C 0.11370(13) 0.6739(4) -0.0155(2)
C8 C 0.10705(13) 0.8465(4) -0.0901(2)
C9 C 0.15449(12) 1.0123(4) -0.06140(19)
C10 C 0.20547(12) 1.0033(4) 0.03746(19)
C11 C -0.01676(15) 0.8712(5) -0.1676(3)
H5 H -0.031(2) 0.769(7) -0.117(4)
H6 H -0.0452(19) 0.870(5) -0.243(3)
H7 H -0.022(2) 1.015(7) -0.131(4)
Ag1* Ag 0.395864(9) 0.32433(2) 0.424420(13)
Ag1C Ag 0.395864(9) 1.17567(2) -0.075580(13)
O4C O 0.47531(9) 1.4175(3) 0.60178(13)
N3* N 0.34532(10) 1.6431(3) 0.36544(16)
#END

data_CSD_CIF_GEZWOZ
_audit_creation_date 2013-05-23
_audit_creation_method CSD-ConQuest-V1
_database_code_CSD GEZWOZ
_database_code_depnum_ccdc_archive 'CCDC 880747'
_chemical_formula_sum 'C11 H7 Ag1 Cl1 F4 N3 O5'
_chemical_formula_moiety
;
(C11 H7 Ag1 Cl1 F4 N3 O5)n
;
_journal_coden_Cambridge 1350
_journal_volume 15
_journal_year 2013
_journal_page_first 4225
_journal_name_full 'CrystEngComm '
loop_
_publ_author_name
"J.Eberhard"
"I.Stoll"
"R.Brockhinke"
"B.Neumann"
"H.-G.Stammler"
"A.Riefer"
"E.Rauls"
"W.G.Schmidt"
"J.Mattay"
_chemical_name_systematic
;
catena-((μ~2~-5-(2,3,5,6-tetrafluoro-4-methoxyphenyl)pyrimidin-2-amine)-(μ~2
~-perchlorato)-silver)
;
_cell_volume   2796.997
_exptl_crystal_colour 'colorless'
_exptl_crystal_density_diffrn 2.282
_diffrn_ambient_temperature 100
#These two values have been output from a single CSD field.
_refine_ls_R_factor_gt 0.0187
_refine_ls_wR_factor_gt 0.0187
_symmetry_cell_setting orthorhombic
_symmetry_space_group_name_H-M 'P b c a'
_symmetry_Int_Tables_number 61
loop_
_symmetry_equiv_pos_site_id
_symmetry_equiv_pos_as_xyz
1 x,y,z
2 1/2-x,-y,1/2+z
3 1/2+x,1/2-y,-z
4 -x,1/2+y,1/2-z
5 -x,-y,-z
6 -1/2+x,y,-1/2-z
7 -1/2-x,-1/2+y,z
8 x,-1/2-y,-1/2+z
_cell_length_a 7.3177(1)
_cell_length_b 12.7615(1)
_cell_length_c 29.9513(4)
_cell_angle_alpha 90
_cell_angle_beta 90
_cell_angle_gamma 90
_cell_formula_units_Z 8
loop_
_atom_type_symbol
_atom_type_radius_bond
C 0.68
H 0.23
Ag 1.45
Cl 0.99
F 0.64
N 0.68
O 0.68
loop_
_atom_site_label
_atom_site_type_symbol
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
Ag1 Ag 0.191509(18) 0.222301(9) 0.046992(4)
Cl1 Cl 0.23488(6) 0.22718(3) -0.064279(14)
F1 F 0.22179(14) 0.63145(7) 0.20118(3)
F2 F 0.24302(16) 0.62777(8) 0.28860(3)
F3 F 0.53303(15) 0.29547(8) 0.28122(4)
F4 F 0.51373(15) 0.30194(8) 0.19200(3)
O1 O 0.41211(19) 0.44666(10) 0.33256(4)
O2 O 0.35176(19) 0.23672(12) -0.02451(4)
O3 O 0.0910(2) 0.30362(11) -0.06045(5)
O4 O 0.34385(18) 0.24612(11) -0.10310(4)
O5 O 0.15959(19) 0.12336(10) -0.06483(5)
N1 N 0.2446(2) 0.38101(10) 0.07709(5)
N2 N 0.2440(2) 0.47266(13) 0.01065(5)
H1 H 0.267(3) 0.522(2) -0.0055(9)
H2 H 0.204(3) 0.4238(19) -0.0025(7)
N3 N 0.3366(2) 0.56054(10) 0.07422(5)
C1 C 0.2767(2) 0.47140(13) 0.05452(6)
C2 C 0.3722(2) 0.55642(12) 0.11810(6)
H3 H 0.418(3) 0.6209(16) 0.1301(7)
C3 C 0.3419(2) 0.46810(12) 0.14395(6)
C4 C 0.2748(2) 0.38163(13) 0.12109(6)
H4 H 0.244(3) 0.3194(16) 0.1366(7)
C5 C 0.3673(2) 0.46711(12) 0.19285(6)
C6 C 0.3054(2) 0.54833(13) 0.22001(6)
C7 C 0.3151(2) 0.54630(13) 0.26610(6)
C8 C 0.3915(2) 0.46085(13) 0.28832(6)
C9 C 0.4551(2) 0.37875(12) 0.26133(6)
C10 C 0.4444(2) 0.38243(12) 0.21558(6)
C11 C 0.3799(3) 0.53185(16) 0.36320(6)
H5 H 0.450(3) 0.5944(17) 0.3547(7)
H6 H 0.416(3) 0.5063(19) 0.3904(8)
H7 H 0.250(3) 0.5470(18) 0.3647(8)
Ag1B Ag 0.691509(18) 0.277699(9) -0.046992(4)
Ag1F Ag 0.308491(18) 0.722301(9) 0.046992(4)
O2B O -0.14824(19) 0.26328(12) 0.02451(4)
N3F N 0.1634(2) 0.06054(10) 0.07422(5)
#END

data_CSD_CIF_GEZWUF
_audit_creation_date 2013-05-23
_audit_creation_method CSD-ConQuest-V1
_database_code_CSD GEZWUF
_database_code_depnum_ccdc_archive 'CCDC 880746'
_chemical_formula_sum 'C14 H13 Ag1 F7 N3 O5 S1'
_chemical_formula_moiety
;
(C13 H13 Ag1 F4 N3 O2 1+)n,n(C1 F3 O3 S1 1-)
;
_journal_coden_Cambridge 1350
_journal_volume 15
_journal_year 2013
_journal_page_first 4225
_journal_name_full 'CrystEngComm '
loop_
_publ_author_name
"J.Eberhard"
"I.Stoll"
"R.Brockhinke"
"B.Neumann"
"H.-G.Stammler"
"A.Riefer"
"E.Rauls"
"W.G.Schmidt"
"J.Mattay"
_chemical_name_systematic
;
catena-((μ₂-5-(2,3,5,6-tetrafluoro-4-methoxyphenyl)pyrimidin-2-amine)-(etha
nol)-silver trifluoromethanesulfonate)
;
_cell_volume   3900.348
_exptl_crystal_colour 'colorless'
_exptl_crystal_density_diffrn 1.963
_exptl_crystal_description 'plate'
_diffrn_ambient_temperature 200
_refine_special_details
;
C11A and C11B disordered over two sites with occupancies 0.556:0.444.

;
#These two values have been output from a single CSD field.
_refine_ls_R_factor_gt 0.0342
_refine_ls_wR_factor_gt 0.0342
_symmetry_cell_setting monoclinic
_symmetry_space_group_name_H-M 'C 2/c'
_symmetry_Int_Tables_number 15
loop_
_symmetry_equiv_pos_site_id
_symmetry_equiv_pos_as_xyz
1 x,y,z
2 -x,y,1/2-z
3 1/2+x,1/2+y,z
4 1/2-x,1/2+y,1/2-z
5 -x,-y,-z
6 x,-y,-1/2+z
7 -1/2-x,-1/2-y,-z
8 -1/2+x,-1/2-y,-1/2+z
_cell_length_a 25.2591(8)
_cell_length_b 10.5671(3)
_cell_length_c 15.0340(5)
_cell_angle_alpha 90
_cell_angle_beta 103.5966(18)
_cell_angle_gamma 90
_cell_formula_units_Z 8
loop_
_atom_type_symbol
_atom_type_radius_bond
C 0.68
H 0.23
Ag 1.45
F 0.64
N 0.68
O 0.68
S 1.02
loop_
_atom_site_label
_atom_site_type_symbol
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
Ag1 Ag 0.184523(8) 0.49139(2) 0.199654(14)
F1 F 0.44200(6) 0.29640(19) 0.14658(11)
F2 F 0.49750(6) 0.3491(2) 0.02116(13)
F3 F 0.33300(9) 0.4475(3) -0.19132(12)
F4 F 0.27778(6) 0.39347(19) -0.06778(11)
O1 O 0.44959(9) 0.4237(3) -0.14726(15)
O2 O 0.10102(9) 0.4069(2) 0.12094(18)
H1 H 0.0974(17) 0.432(4) 0.069(3)
N1 N 0.25569(8) 0.3659(2) 0.19128(15)
N2 N 0.25155(12) 0.2540(3) 0.32113(18)
H2 H 0.2639(13) 0.207(3) 0.363(2)
H3 H 0.2238(17) 0.302(4) 0.328(3)
N3 N 0.31350(9) 0.1878(2) 0.24060(15)
C1 C 0.27418(10) 0.2701(3) 0.25034(17)
C2 C 0.33934(10) 0.2120(2) 0.17433(17)
H4 H 0.36780 0.15670 0.16740
C3 C 0.32637(10) 0.3149(2) 0.11501(17)
C4 C 0.28247(10) 0.3871(2) 0.12567(17)
H5 H 0.27080 0.45500 0.08440
C5 C 0.35724(10) 0.3425(2) 0.04536(17)
C6 C 0.41396(11) 0.3330(3) 0.06284(17)
C7 C 0.44292(11) 0.3611(3) -0.00102(19)
C8 C 0.41752(12) 0.4011(3) -0.08851(19)
C9 C 0.36139(12) 0.4106(3) -0.10766(18)
C10 C 0.33268(10) 0.3824(3) -0.04284(18)
C11 C 0.4334(3) 0.5187(6) -0.2142(5)
H6 H 0.46010 0.52440 -0.25200
H7 H 0.43130 0.60020 -0.18420
H8 H 0.39760 0.49740 -0.25310
C12 C 0.05081(14) 0.4289(4) 0.1481(3)
H9 H 0.05510 0.40070 0.21210
H10 H 0.02170 0.37730 0.10910
C13 C 0.03400(16) 0.5633(5) 0.1408(3)
H11 H 0.06300 0.61540 0.17810
H12 H 0.00060 0.57340 0.16270
H13 H 0.02720 0.59030 0.07670
C14? C 0.4326(4) 0.3935(9) -0.2410(4)
H14? H 0.46140 0.41620 -0.27190
H15? H 0.39940 0.44080 -0.26840
H16? H 0.42530 0.30250 -0.24790
S1 S 0.35184(3) 0.90481(6) 0.05470(4)
F5 F 0.38565(11) 0.7291(3) -0.0408(2)
F6 F 0.42393(12) 0.7262(3) 0.1028(3)
F7 F 0.34118(11) 0.6604(2) 0.0553(2)
O3 O 0.39687(11) 0.9870(2) 0.05051(17)
O4 O 0.30592(9) 0.9136(2) -0.02166(14)
O5 O 0.33932(9) 0.9025(2) 0.14308(14)
C15 C 0.37698(15) 0.7462(3) 0.0424(3)
Ag1C Ag 0.315477(8) -0.00861(2) 0.300346(14)
N3C N 0.18650(9) 0.6878(2) 0.25940(15)
#END

data_CSD_CIF_GEZXAM
_audit_creation_date 2013-05-23
_audit_creation_method CSD-ConQuest-V1
_database_code_CSD GEZXAM
_database_code_depnum_ccdc_archive 'CCDC 880745'
_chemical_formula_sum 'C13 H7 Ag1 F7 N3 O3'
_chemical_formula_moiety
;
(C13 H7 Ag1 F7 N3 O3)n
;
_journal_coden_Cambridge 1350
_journal_volume 15
_journal_year 2013
_journal_page_first 4225
_journal_name_full 'CrystEngComm '
loop_
_publ_author_name
"J.Eberhard"
"I.Stoll"
"R.Brockhinke"
"B.Neumann"
"H.-G.Stammler"
"A.Riefer"
"E.Rauls"
"W.G.Schmidt"
"J.Mattay"
_chemical_name_systematic
;
catena-((μ~2~-5-(2,3,5,6-tetrafluoro-4-methoxyphenyl)pyrimidin-2-amine)-(μ~2
~-trifluoroacetato)-silver)
;
_cell_volume   3019.774
_exptl_crystal_colour 'colorless'
_exptl_crystal_density_diffrn 2.174
_diffrn_ambient_temperature 100
#These two values have been output from a single CSD field.
_refine_ls_R_factor_gt 0.0286
_refine_ls_wR_factor_gt 0.0286
_symmetry_cell_setting orthorhombic
_symmetry_space_group_name_H-M 'P b c a'
_symmetry_Int_Tables_number 61
loop_
_symmetry_equiv_pos_site_id
_symmetry_equiv_pos_as_xyz
1 x,y,z
2 1/2-x,-y,1/2+z
3 1/2+x,1/2-y,-z
4 -x,1/2+y,1/2-z
5 -x,-y,-z
6 -1/2+x,y,-1/2-z
7 -1/2-x,-1/2+y,z
8 x,-1/2-y,-1/2+z
_cell_length_a 8.2221(1)
_cell_length_b 11.5994(2)
_cell_length_c 31.6633(4)
_cell_angle_alpha 90
_cell_angle_beta 90
_cell_angle_gamma 90
_cell_formula_units_Z 8
loop_
_atom_type_symbol
_atom_type_radius_bond
C 0.68
H 0.23
Ag 1.45
F 0.64
N 0.68
O 0.68
loop_
_atom_site_label
_atom_site_type_symbol
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
Ag1 Ag 0.10590(2) 0.383067(13) 0.514813(5)
F1 F 0.40947(14) 0.68891(10) 0.66999(4)
F2 F 0.55157(16) 0.64532(10) 0.74460(4)
F3 F 0.82046(15) 0.32561(10) 0.68475(4)
F4 F 0.67449(16) 0.36628(10) 0.61080(4)
F5 F -0.11918(14) 0.28129(11) 0.37403(4)
F6 F 0.10692(15) 0.35471(12) 0.35266(4)
F7 F -0.10898(16) 0.45992(11) 0.35572(4)
O1 O 0.77274(19) 0.47052(12) 0.75353(4)
O2 O 0.0230(2) 0.32948(12) 0.44719(4)
O3 O 0.04904(19) 0.51427(13) 0.42711(4)
N1 N 0.3136(2) 0.50129(14) 0.53505(5)
N2 N 0.2887(2) 0.63062(15) 0.48011(5)
H1 H 0.237(3) 0.5840(16) 0.4650(6)
H2 H 0.330(3) 0.6848(16) 0.4682(6)
N3 N 0.4197(2) 0.69331(14) 0.53999(5)
C1 C 0.3419(3) 0.60807(16) 0.51877(6)
C2 C 0.4811(3) 0.66745(17) 0.57788(6)
H3 H 0.543(3) 0.7323(19) 0.5921(6)
C3 C 0.4673(2) 0.55846(17) 0.59604(6)
C4 C 0.3788(2) 0.47851(18) 0.57282(6)
H4 H 0.358(3) 0.403(2) 0.5831(7)
C5 C 0.5393(2) 0.53057(17) 0.63794(6)
C6 C 0.5119(2) 0.59864(16) 0.67315(6)
C7 C 0.5839(2) 0.57702(19) 0.71177(7)
C8 C 0.6910(2) 0.48538(17) 0.71651(6)
C9 C 0.7165(3) 0.41488(17) 0.68169(6)
C10 C 0.6419(2) 0.43657(17) 0.64379(6)
C11 C 0.7183(3) 0.37405(16) 0.77828(7)
H5 H 0.60150 0.38160 0.78380
H6 H 0.77750 0.37240 0.80510
H7 H 0.73870 0.30240 0.76280
C12 C 0.0195(2) 0.41056(18) 0.42116(6)
C13 C -0.0268(3) 0.37648(17) 0.37560(6)
Ag1D Ag -0.10590(2) 0.616933(13) 0.485187(5)
Ag1F Ag 0.39410(2) 0.883067(13) 0.514813(5)
O3D O -0.04904(19) 0.48573(13) 0.57289(4)
N3F N 0.0803(2) 0.19331(14) 0.53999(5)
#END

data_CSD_CIF_AJIPOZ
_audit_creation_date 2010-03-08
_audit_creation_method CSD-ConQuest-V1
_database_code_CSD AJIPOZ
_database_code_depnum_ccdc_archive 'CCDC 740120'
_chemical_formula_sum 'C21 H27 Ag3 N12 S3'
_chemical_formula_moiety
;
(C21 H27 Ag3 N12 S3)n
;
_journal_coeditor_code "IUCr SQ3210"
_journal_coden_Cambridge 591
_journal_volume 65
_journal_year 2009
_journal_page_first m377
_journal_name_full 'Acta Crystallogr.,Sect.C:Cryst.Struct.Commun. '
loop_
_publ_author_name
"Geng-Geng Luo"
"Di Sun"
"Na Zhang"
"Rong-Bin Huang"
"Lan-Sun Zheng"
_chemical_name_systematic
;
catena-(tris((μ₃-Thiocyanato-N,S,S)-(2-amino-4,6-dimethylpyrimidine-N))-tri
-silver(i))
;
_cell_volume   5713.188
_exptl_crystal_colour 'colorless'
_exptl_crystal_density_diffrn 2.017
_exptl_crystal_description 'block'
_diffrn_ambient_temperature 173
#These two values have been output from a single CSD field.
_refine_ls_R_factor_gt 0.0537
_refine_ls_wR_factor_gt 0.0537
_symmetry_cell_setting orthorhombic
_symmetry_space_group_name_H-M 'P b c a'
_symmetry_Int_Tables_number 61
loop_
_symmetry_equiv_pos_site_id
_symmetry_equiv_pos_as_xyz
1 x,y,z
2 1/2-x,-y,1/2+z
3 -x,1/2+y,1/2-z
4 1/2+x,1/2-y,-z
5 -x,-y,-z
6 -1/2+x,y,-1/2-z
7 x,-1/2-y,-1/2+z
8 -1/2-x,-1/2+y,z
_cell_length_a 20.955(4)
_cell_length_b 11.282(2)
_cell_length_c 24.166(5)
_cell_angle_alpha 90
_cell_angle_beta 90
_cell_angle_gamma 90
_cell_formula_units_Z 8
loop_
_atom_type_symbol
_atom_type_radius_bond
C 0.68
H 0.23
Ag 1.45
N 0.68
S 1.02
loop_
_atom_site_label
_atom_site_type_symbol
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
Ag1 Ag 0.52093(3) 0.36852(5) 0.79944(2)
Ag2 Ag 0.64909(3) -0.13085(5) 0.78235(2)
Ag3 Ag 0.67515(3) 0.37154(5) 0.87947(2)
C1 C 0.6615(3) -0.1248(6) 0.6489(3)
C2 C 0.6903(3) -0.2662(6) 0.5877(3)
C3 C 0.7008(3) -0.3450(6) 0.6298(3)
H1 H 0.71500 -0.42340 0.62250
C4 C 0.6900(3) -0.3060(6) 0.6839(3)
C5 C 0.6979(3) -0.3853(6) 0.7322(3)
H2 H 0.72610 -0.34760 0.75940
H3 H 0.71670 -0.46050 0.72010
H4 H 0.65620 -0.40030 0.74910
C6 C 0.6987(3) -0.3009(6) 0.5279(3)
H5 H 0.72590 -0.24250 0.50940
H6 H 0.65700 -0.30350 0.50970
H7 H 0.71880 -0.37930 0.52590
C7 C 0.6454(3) 0.3766(6) 1.0095(3)
C8 C 0.6454(3) 0.1859(6) 0.9759(2)
C9 C 0.6418(3) 0.1451(6) 1.0292(3)
H8 H 0.64040 0.06240 1.03650
C10 C 0.6403(3) 0.2253(6) 1.0719(3)
C11 C 0.6383(3) 0.1870(6) 1.1313(3)
H9 H 0.59960 0.21840 1.14880
H10 H 0.63790 0.10030 1.13320
H11 H 0.67590 0.21740 1.15070
C12 C 0.6471(3) 0.1051(6) 0.9278(3)
H12 H 0.68770 0.11440 0.90820
H13 H 0.64270 0.02300 0.94050
H14 H 0.61180 0.12420 0.90270
C13 C 0.4983(3) 0.3740(6) 0.9306(2)
C14 C 0.4758(3) 0.2293(6) 0.9926(2)
C15 C 0.4727(3) 0.1487(6) 0.9494(3)
H15 H 0.46430 0.06740 0.95660
C16 C 0.4818(3) 0.1875(6) 0.8963(3)
C17 C 0.4785(3) 0.1073(6) 0.8478(3)
H16 H 0.44200 0.12930 0.82460
H17 H 0.47340 0.02530 0.86050
H18 H 0.51790 0.11410 0.82630
C18 C 0.4673(3) 0.1927(6) 1.0520(3)
H19 H 0.50000 0.23090 1.07480
H20 H 0.47130 0.10640 1.05500
H21 H 0.42490 0.21710 1.06480
C19 C 0.6890(3) -0.3251(7) 0.8779(3)
C20 C 0.5259(3) 0.6720(6) 0.7963(3)
C21 C 0.6414(3) 0.1749(7) 0.7817(3)
N1 N 0.6410(3) -0.0144(5) 0.6581(2)
H22 H 0.63340 0.03320 0.63000
H23 H 0.63510 0.01070 0.69220
N2 N 0.6696(3) -0.1582(5) 0.5964(2)
N3 N 0.6702(2) -0.1957(5) 0.6937(2)
N4 N 0.5093(3) 0.4879(5) 0.9220(2)
H24 H 0.51060 0.53730 0.95020
H25 H 0.51540 0.51430 0.88820
N5 N 0.4895(3) 0.3412(5) 0.9834(2)
N6 N 0.4953(2) 0.3018(5) 0.88608(19)
N7 N 0.6486(3) 0.4925(5) 1.0014(2)
H26 H 0.65230 0.52080 0.96760
H27 H 0.64700 0.54130 1.02980
N8 N 0.6479(2) 0.3036(5) 0.96539(19)
N9 N 0.6417(3) 0.3404(5) 1.0628(2)
N10 N 0.6816(3) -0.4254(6) 0.8819(2)
N11 N 0.5227(3) 0.5720(5) 0.7994(2)
N12 N 0.6408(3) 0.0727(5) 0.7811(2)
S1 S 0.64404(8) 0.32168(15) 0.78202(7)
S2 S 0.52625(8) 0.81996(15) 0.79408(7)
S3 S 0.69837(8) -0.17863(15) 0.87471(7)
Ag1B Ag 0.47907(3) 0.86852(5) 0.70056(2)
Ag2* Ag 0.64909(3) 0.86915(5) 0.78235(2)
Ag3* Ag 0.67515(3) -0.62846(5) 0.87947(2)
Ag3G Ag 0.82485(3) -0.12846(5) 0.87947(2)
N10* N 0.6816(3) 0.5746(6) 0.8819(2)
S2B S 0.47375(8) 0.31996(15) 0.70592(7)
S2* S 0.52625(8) -0.18004(15) 0.79408(7)
S3G S 0.80163(8) 0.32137(15) 0.87471(7)
#END

data_CSD_CIF_AJIPUF
_audit_creation_date 2010-03-08
_audit_creation_method CSD-ConQuest-V1
_database_code_CSD AJIPUF
_database_code_depnum_ccdc_archive 'CCDC 755980'
_chemical_formula_sum 'C6 H5 Ag2 N5 S2'
_chemical_formula_moiety
;
(C6 H5 Ag2 N5 S2)n
;
_journal_coeditor_code "IUCr SQ3210"
_journal_coden_Cambridge 591
_journal_volume 65
_journal_year 2009
_journal_page_first m377
_journal_name_full 'Acta Crystallogr.,Sect.C:Cryst.Struct.Commun. '
loop_
_publ_author_name
"Geng-Geng Luo"
"Di Sun"
"Na Zhang"
"Rong-Bin Huang"
"Lan-Sun Zheng"
_chemical_name_systematic
;
catena-(bis(μ₃-Thiocyanato-S,S,S)-(μ₂-2-aminopyrimidine-N¹:N³)-di-si
lver(i))
;
_cell_volume   1059.115
_exptl_crystal_colour 'colorless'
_exptl_crystal_density_diffrn 2.678
_exptl_crystal_description 'block'
_exptl_crystal_preparation 'acetonitrile/water'
_diffrn_ambient_temperature 298
#These two values have been output from a single CSD field.
_refine_ls_R_factor_gt 0.0416
_refine_ls_wR_factor_gt 0.0416
_symmetry_cell_setting orthorhombic
_symmetry_space_group_name_H-M 'P b c n'
_symmetry_Int_Tables_number 60
loop_
_symmetry_equiv_pos_site_id
_symmetry_equiv_pos_as_xyz
1 x,y,z
2 1/2-x,1/2-y,1/2+z
3 -x,y,1/2-z
4 1/2+x,1/2-y,-z
5 -x,-y,-z
6 -1/2+x,-1/2+y,-1/2-z
7 x,-y,-1/2+z
8 -1/2-x,-1/2+y,z
_cell_length_a 17.719(6)
_cell_length_b 8.159(3)
_cell_length_c 7.326(2)
_cell_angle_alpha 90
_cell_angle_beta 90
_cell_angle_gamma 90
_cell_formula_units_Z 4
loop_
_atom_type_symbol
_atom_type_radius_bond
C 0.68
H 0.23
Ag 1.48
N 0.68
S 1.02
loop_
_atom_site_label
_atom_site_type_symbol
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
Ag1 Ag 0.68299(3) 0.14887(6) 0.20060(7)
C1 C 0.50000 0.1063(9) 0.25000
C2 C 0.5638(4) -0.1372(7) 0.2077(9)
H1 H 0.60750 -0.19400 0.17730
C3 C 0.50000 -0.2253(11) 0.25000
H2 H 0.50000 -0.33930 0.25000
C4 C 0.8316(3) 0.0180(6) -0.0363(7)
N1 N 0.50000 0.2711(8) 0.25000
H3 H 0.45930 0.32380 0.27580
N2 N 0.5657(2) 0.0277(6) 0.2083(6)
N3 N 0.8825(3) -0.0526(7) 0.0194(7)
S1 S 0.75465(8) 0.12005(16) -0.11137(18)
Ag1B Ag 0.31701(3) 0.14887(6) 0.29940(7)
Ag1A Ag 0.81701(3) 0.35113(6) -0.29940(7)
Ag1F Ag 0.68299(3) -0.14887(6) -0.29940(7)
Ag1A* Ag 0.81701(3) 0.35113(6) 0.70060(7)
Ag1G Ag 0.81701(3) 0.64887(6) 0.20060(7)
C2B C 0.4362(4) -0.1372(7) 0.2923(9)
H1B H 0.39250 -0.19400 0.32270
C4A C 0.6684(3) 0.4820(6) 0.4637(7)
H3B H 0.54070 0.32380 0.22420
N2B N 0.4343(2) 0.0277(6) 0.2917(6)
N3A N 0.6175(3) 0.5526(7) 0.5194(7)
S1A S 0.74535(8) 0.37995(16) 0.38863(18)
S1F S 0.75465(8) -0.12005(16) 0.38863(18)
S1B S 0.24535(8) 0.12005(16) 0.61137(18)
S1C S 0.25465(8) 0.37995(16) 0.11137(18)
S1D S 0.24535(8) -0.12005(16) 0.11137(18)
#END

data_CSD_CIF_BANMEK
_audit_creation_date 2012-03-13
_audit_creation_method CSD-ConQuest-V1
_database_code_CSD BANMEK
_database_code_depnum_ccdc_archive 'CCDC 762003'
_chemical_formula_sum 'C32 H20 Ag4 Cl8 N12 O8'
_chemical_formula_moiety
;
(C32 H20 Ag4 Cl8 N12 O8)n
;
_journal_coden_Cambridge 644
_journal_volume 66
_journal_year 2011
_journal_page_first 1035
_journal_name_full 'Z.Naturforsch.,B:Chem.Sci. '
loop_
_publ_author_name
"Di Sun"
"Rong-Bin Huang"
"Lan-Sun Zheng"
_chemical_name_systematic
;
catena-(tetrakis(μ₂-2-Aminopyrimidin-1,3-diyl)-bis(3,4,5,6-tetrachlorophtha
lato)-tetra-silver)
;
_cell_volume   8468.721
_exptl_crystal_colour 'colorless'
_exptl_crystal_density_diffrn 2.221
_exptl_crystal_description 'block'
_diffrn_ambient_temperature 150
#These two values have been output from a single CSD field.
_refine_ls_R_factor_gt 0.0252
_refine_ls_wR_factor_gt 0.0252
_symmetry_cell_setting monoclinic
_symmetry_space_group_name_H-M 'C 2/c'
_symmetry_Int_Tables_number 15
loop_
_symmetry_equiv_pos_site_id
_symmetry_equiv_pos_as_xyz
1 x,y,z
2 -x,y,1/2-z
3 1/2+x,1/2+y,z
4 1/2-x,1/2+y,1/2-z
5 -x,-y,-z
6 x,-y,-1/2+z
7 -1/2-x,-1/2-y,-z
8 -1/2+x,-1/2-y,-1/2+z
_cell_length_a 13.4957(3)
_cell_length_b 24.8634(6)
_cell_length_c 25.4326(7)
_cell_angle_alpha 90
_cell_angle_beta 97.085(2)
_cell_angle_gamma 90
_cell_formula_units_Z 8
loop_
_atom_type_symbol
_atom_type_radius_bond
C 0.68
H 0.23
Ag 1.55
Cl 0.99
N 0.68
O 0.68
loop_
_atom_site_label
_atom_site_type_symbol
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
Ag1 Ag 0.852301(18) 0.003589(9) 0.129382(10)
Ag2 Ag 0.851459(18) -0.249156(9) 0.124346(9)
Ag3 Ag 0.433660(19) 0.00830(1) 0.18261(1)
Ag4 Ag 0.93861(2) 0.24798(1) 0.179390(11)
Cl1 Cl 0.67835(6) 0.17926(3) 0.20303(3)
Cl2 Cl 0.63195(6) 0.24258(3) 0.09749(3)
Cl3 Cl 0.56940(6) 0.18035(3) -0.00830(3)
Cl4 Cl 0.57095(6) 0.05703(3) -0.00946(3)
Cl5 Cl 0.57261(6) -0.29919(3) -0.01587(3)
Cl6 Cl 0.56355(6) -0.42472(3) -0.01481(3)
Cl7 Cl 0.61756(6) -0.48652(3) 0.09088(3)
Cl8 Cl 0.67123(6) -0.42360(3) 0.19634(3)
O1 O 0.74563(14) 0.03152(8) 0.20211(7)
O2 O 0.59731(15) 0.05540(8) 0.22634(7)
O3 O 0.69453(15) -0.02223(8) 0.07802(8)
O4 O 0.55344(16) -0.02315(8) 0.11565(8)
O5 O 0.69366(15) -0.22114(8) 0.07311(8)
O6 O 0.55095(16) -0.22112(8) 0.10925(8)
O7 O 0.74175(15) -0.27540(8) 0.19572(7)
O8 O 0.59463(15) -0.30039(8) 0.22064(7)
C1 C 0.8841(2) 0.12870(12) 0.13698(11)
C2 C 0.8696(2) 0.19136(13) 0.07065(13)
H1 H 0.87360 0.22760 0.05920
C3 C 0.8441(2) 0.15228(15) 0.03319(13)
H2 H 0.82840 0.16090 -0.00330
C4 C 0.8426(2) 0.09991(14) 0.05120(13)
H3 H 0.82640 0.07170 0.02640
C5 C 0.8761(2) -0.12275(12) 0.13660(11)
C6 C 1.0121(2) -0.07647(14) 0.17747(12)
H4 H 1.04430 -0.04340 0.18740
C7 C 1.0613(2) -0.12383(14) 0.19164(13)
H5 H 1.12660 -0.12410 0.21050
C8 C 1.0110(2) -0.17087(14) 0.17703(12)
H6 H 1.04240 -0.20420 0.18670
C9 C 0.8849(2) -0.37318(12) 0.13562(11)
C10 C 0.8440(2) -0.34775(13) 0.04851(12)
H7 H 0.82920 -0.32050 0.02250
C11 C 0.8432(2) -0.40063(14) 0.03270(12)
H8 H 0.82830 -0.41050 -0.00350
C12 C 0.8650(2) -0.43850(13) 0.07187(13)
H9 H 0.86520 -0.47540 0.06210
C13 C 0.4201(2) -0.12302(12) 0.18655(11)
C14 C 0.3418(2) -0.07680(13) 0.24825(12)
H10 H 0.32280 -0.04390 0.26320
C15 C 0.3147(2) -0.12435(14) 0.26976(12)
H11 H 0.27790 -0.12490 0.29930
C16 C 0.3426(2) -0.17102(13) 0.24699(12)
H12 H 0.32360 -0.20440 0.26090
C17 C 0.6632(2) 0.05624(11) 0.19577(11)
C18 C 0.6413(2) 0.08849(11) 0.14479(11)
C19 C 0.6442(2) 0.14464(11) 0.14470(11)
C20 C 0.6251(2) 0.17338(12) 0.09771(11)
C21 C 0.6003(2) 0.14586(12) 0.04994(11)
C22 C 0.6005(2) 0.08989(12) 0.05004(11)
C23 C 0.6215(2) 0.06103(12) 0.09670(11)
C24 C 0.6228(2) -0.00011(12) 0.09645(10)
C25 C 0.6211(2) -0.24334(12) 0.0908(1)
C26 C 0.6195(2) -0.30476(12) 0.09042(11)
C27 C 0.5984(2) -0.33368(12) 0.04346(11)
C28 C 0.5948(2) -0.38931(12) 0.04321(11)
C29 C 0.6167(2) -0.41710(12) 0.09082(11)
C30 C 0.6385(2) -0.38853(11) 0.13810(11)
C31 C 0.6379(2) -0.33281(12) 0.13839(11)
C32 C 0.6602(2) -0.30051(12) 0.18976(11)
N1 N 0.90200(19) 0.11694(10) 0.18875(10)
H13 H 0.89990 0.08330 0.19940
H14 H 0.91580 0.14280 0.21210
N2 N 0.88900(18) 0.18074(10) 0.12233(10)
N3 N 0.86342(18) 0.08773(10) 0.10285(9)
N4 N 0.78533(17) -0.12245(10) 0.10990(9)
H15 H 0.75530 -0.09170 0.10140
H16 H 0.75510 -0.15300 0.10070
N5 N 0.91951(18) -0.17134(10) 0.14975(10)
N6 N 0.92081(18) -0.07514(10) 0.15029(10)
N7 N 0.90522(19) -0.3595(1) 0.18671(9)
H17 H 0.91870 -0.38460 0.21100
H18 H 0.90510 -0.32540 0.19610
N8 N 0.86508(17) -0.3335(1) 0.09946(9)
N9 N 0.88590(18) -0.42575(10) 0.12300(9)
N10 N 0.47040(18) -0.12211(10) 0.14455(9)
H19 H 0.48690 -0.15250 0.13010
H20 H 0.48710 -0.09120 0.13130
N11 N 0.39445(18) -0.07505(10) 0.20684(9)
N12 N 0.39566(18) -0.17119(10) 0.20592(9)
Ag3B Ag 0.933660(19) -0.49170(1) 0.18261(1)
Ag4B Ag 0.43861(2) -0.25202(1) 0.179390(11)
O6B O 1.05095(16) 0.27888(8) 0.10925(8)
O8B O 1.09463(15) 0.19961(8) 0.22064(7)
N9B N 0.38590(18) 0.07425(10) 0.12300(9)
N12B N 0.89566(18) 0.32881(10) 0.20592(9)
#END

data_CSD_CIF_BANMIO
_audit_creation_date 2012-03-13
_audit_creation_method CSD-ConQuest-V1
_database_code_CSD BANMIO
_database_code_depnum_ccdc_archive 'CCDC 762004'
_chemical_formula_sum 'C28 H18 Ag4 Cl8 N6 O8'
_chemical_formula_moiety
;
(C28 H18 Ag4 Cl8 N6 O8)n
;
_journal_coden_Cambridge 644
_journal_volume 66
_journal_year 2011
_journal_page_first 1035
_journal_name_full 'Z.Naturforsch.,B:Chem.Sci. '
loop_
_publ_author_name
"Di Sun"
"Rong-Bin Huang"
"Lan-Sun Zheng"
_chemical_name_systematic
;
catena-(bis((μ₄-3,4,5,6-Tetrachlorophthalato)-(μ₂-2-amino-4,6-dimethylpy
rimidin-1,3-diyl))-tetra-silver)
;
_cell_volume    910.994
_exptl_crystal_colour 'colorless'
_exptl_crystal_density_diffrn 2.336
_exptl_crystal_description 'prism'
_diffrn_ambient_temperature 298
#These two values have been output from a single CSD field.
_refine_ls_R_factor_gt 0.0363
_refine_ls_wR_factor_gt 0.0363
_symmetry_cell_setting triclinic
_symmetry_space_group_name_H-M 'P -1'
_symmetry_Int_Tables_number 2
loop_
_symmetry_equiv_pos_site_id
_symmetry_equiv_pos_as_xyz
1 x,y,z
2 -x,-y,-z
_cell_length_a 7.4859(15)
_cell_length_b 8.8975(18)
_cell_length_c 14.239(3)
_cell_angle_alpha 91.10(3)
_cell_angle_beta 100.41(3)
_cell_angle_gamma 101.95(3)
_cell_formula_units_Z 1
loop_
_atom_type_symbol
_atom_type_radius_bond
C 0.68
H 0.23
Ag 1.45
Cl 0.99
N 0.68
O 0.68
loop_
_atom_site_label
_atom_site_type_symbol
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
Ag1 Ag 0.36229(6) 1.00938(4) 0.09361(3)
Ag2 Ag 1.05214(6) 1.29545(4) 0.10002(3)
Cl1 Cl 0.8207(2) 1.07186(14) 0.38630(8)
Cl2 Cl 0.6799(2) 0.77234(18) 0.48426(8)
Cl3 Cl 0.56034(19) 0.45778(14) 0.36685(9)
Cl4 Cl 0.57371(16) 0.44378(11) 0.14937(8)
C1 C 0.2094(5) 0.6654(4) 0.1301(3)
C2 C 0.1161(6) 0.5615(5) 0.2647(3)
C3 C 0.1681(6) 0.7053(5) 0.3111(3)
H1 H 0.15460 0.71890 0.37410
C4 C 0.2408(6) 0.8293(5) 0.2623(3)
C5 C 0.3021(8) 0.9877(6) 0.3096(3)
H2 H 0.41520 1.03870 0.29090
H3 H 0.32300 0.98110 0.37780
H4 H 0.20730 1.04500 0.29060
C6 C 0.0364(7) 0.4219(6) 0.3123(3)
H5 H 0.11250 0.34750 0.31160
H6 H -0.08740 0.37850 0.27870
H7 H 0.03280 0.45010 0.37720
C7 C 0.8115(6) 1.0415(4) 0.1730(3)
C8 C 0.7511(5) 0.8941(4) 0.2228(3)
C9 C 0.7487(6) 0.8980(5) 0.3201(3)
C10 C 0.6890(6) 0.7648(5) 0.3645(3)
C11 C 0.6363(6) 0.6237(5) 0.3124(3)
C12 C 0.6438(5) 0.6178(4) 0.2146(3)
C13 C 0.7014(5) 0.7523(4) 0.1702(2)
C14 C 0.7131(5) 0.7515(4) 0.0652(3)
N1 N 0.2598(4) 0.8094(4) 0.1711(2)
N2 N 0.2295(5) 0.6448(4) 0.0385(2)
H8 H 0.27340 0.72240 0.00820
H9 H 0.19850 0.55410 0.01060
N3 N 0.1384(5) 0.5388(4) 0.1740(2)
O1 O 0.6999(5) 1.1247(4) 0.1524(3)
O2 O 0.9755(5) 1.0649(4) 0.1591(3)
O3 O 0.6063(4) 0.8241(4) 0.0148(2)
O4 O 0.8240(4) 0.6825(3) 0.0386(2)
Ag1A Ag 0.63771(6) 0.99062(4) -0.09361(3)
Ag2A Ag -0.05214(6) 0.70455(4) -0.10002(3)
Ag2* Ag 0.05214(6) 0.29545(4) 0.10002(3)
Ag2** Ag 0.05214(6) 1.29545(4) 0.10002(3)
Ag2A* Ag 0.94786(6) 0.70455(4) -0.10002(3)
Ag2A** Ag 0.94786(6) 1.70455(4) -0.10002(3)
Cl1A Cl 0.1793(2) 0.92814(14) -0.38630(8)
Cl2A Cl 0.3201(2) 1.22766(18) -0.48426(8)
Cl3A Cl 0.43966(19) 1.54222(14) -0.36685(9)
Cl4A Cl 0.42629(16) 1.55622(11) -0.14937(8)
C1A C 0.7906(5) 1.3346(4) -0.1301(3)
C2A C 0.8839(6) 1.4385(5) -0.2647(3)
C3A C 0.8319(6) 1.2947(5) -0.3111(3)
H1A H 0.84540 1.28110 -0.37410
C4A C 0.7592(6) 1.1707(5) -0.2623(3)
C5A C 0.6979(8) 1.0123(6) -0.3096(3)
H2A H 0.58480 0.96130 -0.29090
H3A H 0.67700 1.01890 -0.37780
H4A H 0.79270 0.95500 -0.29060
C6A C 0.9636(7) 1.5781(6) -0.3123(3)
H5A H 0.88750 1.65250 -0.31160
H6A H 1.08740 1.62150 -0.27870
H7A H 0.96720 1.54990 -0.37720
C7A C 0.1885(6) 0.9585(4) -0.1730(3)
C8A C 0.2489(5) 1.1059(4) -0.2228(3)
C9A C 0.2513(6) 1.1020(5) -0.3201(3)
C10A C 0.3110(6) 1.2352(5) -0.3645(3)
C11A C 0.3637(6) 1.3763(5) -0.3124(3)
C12A C 0.3562(5) 1.3822(4) -0.2146(3)
C13A C 0.2986(5) 1.2477(4) -0.1702(2)
C14A C 0.2869(5) 1.2485(4) -0.0652(3)
N1A N 0.7402(4) 1.1906(4) -0.1711(2)
N2A N 0.7705(5) 1.3552(4) -0.0385(2)
H8A H 0.72660 1.27760 -0.00820
H9A H 0.80150 1.44590 -0.01060
N3A N 0.8616(5) 1.4612(4) -0.1740(2)
N3* N 1.1384(5) 1.5388(4) 0.1740(2)
N3A* N -0.1384(5) 0.4612(4) -0.1740(2)
O1A O 0.3001(5) 0.8753(4) -0.1524(3)
O2A O 0.0245(5) 0.9351(4) -0.1591(3)
O3A O 0.3937(4) 1.1759(4) -0.0148(2)
O4A O 0.1760(4) 1.3175(3) -0.0386(2)
O4* O -0.1760(4) 0.6825(3) 0.0386(2)
O4A* O 1.1760(4) 1.3175(3) -0.0386(2)
#END

data_CSD_CIF_BUDDUA
_audit_creation_date 2009-12-08
_audit_creation_method CSD-ConQuest-V1
_database_code_CSD BUDDUA
_database_code_depnum_ccdc_archive 'CCDC 646317'
_chemical_formula_sum 'C11 H16 Ag1 N7 O3'
_chemical_formula_moiety
;
C11 H16 Ag1 N6 1+,N1 O3 1-
;
_journal_coeditor_code "IUCr JH2100"
_journal_coden_Cambridge 1370
_journal_volume 65
_journal_year 2009
_journal_page_first m1177
_journal_name_full 'Acta Crystallogr.,Sect.E:Struct.Rep.Online '
loop_
_publ_author_name
"Hua Yang"
_chemical_name_systematic
;
(2-Amino-4,6-dimethylpyrimidine-\kN¹)-(2-amino-4-methylpyrimidine-\kN¹)-si
lver(i) nitrate
;
_cell_volume   2926.608
_exptl_crystal_colour 'colorless'
_exptl_crystal_density_diffrn 1.826
_exptl_crystal_description 'prism'
_diffrn_ambient_temperature 120
#These two values have been output from a single CSD field.
_refine_ls_R_factor_gt 0.0403
_refine_ls_wR_factor_gt 0.0403
_symmetry_cell_setting orthorhombic
_symmetry_space_group_name_H-M 'P b c 21'
_symmetry_Int_Tables_number 29
loop_
_symmetry_equiv_pos_site_id
_symmetry_equiv_pos_as_xyz
1 x,y,z
2 -x,-y,1/2+z
3 -x,1/2+y,z
4 x,1/2-y,1/2+z
_cell_length_a 7.5689(4)
_cell_length_b 19.1582(7)
_cell_length_c 20.1826(10)
_cell_angle_alpha 90
_cell_angle_beta 90
_cell_angle_gamma 90
_cell_formula_units_Z 8
loop_
_atom_type_symbol
_atom_type_radius_bond
C 0.68
H 0.23
Ag 1.45
N 0.68
O 0.68
loop_
_atom_site_label
_atom_site_type_symbol
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
Ag1 Ag 0.71751(9) 0.60684(3) 0.47181(3)
Ag2 Ag 0.21246(9) 0.64903(3) 0.49169(4)
C1 C 0.7635(13) 0.5144(5) 0.3524(6)
H1 H 0.81440 0.55610 0.33560
C2 C 0.7561(14) 0.4570(5) 0.3120(6)
H2 H 0.79930 0.45850 0.26780
C3 C 0.6815(11) 0.3954(5) 0.3386(5)
C4 C 0.6715(17) 0.3304(6) 0.2971(6)
H3 H 0.65870 0.28960 0.32610
H4 H 0.77980 0.32580 0.27090
H5 H 0.56940 0.33330 0.26740
C5 C 0.6273(11) 0.4538(4) 0.4376(5)
C6 C 0.6599(11) 0.8125(4) 0.6122(5)
C7 C 0.6426(15) 0.8776(5) 0.6539(6)
H6 H 0.53470 0.90260 0.64150
H7 H 0.74530 0.90780 0.64660
H8 H 0.63660 0.86460 0.70080
C8 C 0.7394(12) 0.7544(5) 0.6393(5)
H9 H 0.77760 0.75340 0.68410
C9 C 0.7610(12) 0.6963(5) 0.5967(5)
C10 C 0.8413(15) 0.6312(6) 0.6203(7)
H10 H 0.91420 0.61100 0.58500
H11 H 0.74810 0.59810 0.63250
H12 H 0.91530 0.64090 0.65900
C11 C 0.6221(11) 0.7588(4) 0.5118(4)
C12 C 0.2777(12) 0.5562(5) 0.3701(5)
C13 C 0.3473(17) 0.6232(6) 0.3442(7)
H13 H 0.43420 0.64220 0.37540
H14 H 0.25000 0.65650 0.33900
H15 H 0.40390 0.61530 0.30120
C14 C 0.2742(12) 0.4978(6) 0.3302(5)
H16 H 0.32110 0.49780 0.28660
C15 C 0.1979(10) 0.4393(5) 0.3581(5)
C16 C 0.1861(17) 0.3734(6) 0.3177(6)
H17 H 0.20050 0.33280 0.34690
H18 H 0.27970 0.37330 0.28410
H19 H 0.07060 0.37110 0.29590
C17 C 0.1461(11) 0.4950(4) 0.4551(4)
C18 C 0.1404(11) 0.8570(4) 0.6286(4)
C19 C 0.1264(14) 0.9230(5) 0.6686(6)
H20 H 0.00810 0.94300 0.66310
H21 H 0.21500 0.95660 0.65310
H22 H 0.14680 0.91250 0.71540
C20 C 0.2179(12) 0.7976(5) 0.6557(5)
H23 H 0.25820 0.79600 0.70020
C21 C 0.2322(12) 0.7409(5) 0.6130(6)
H24 H 0.28620 0.69960 0.62940
C22 C 0.0990(11) 0.8014(5) 0.5295(4)
N1 N 0.7026(8) 0.5141(4) 0.4139(4)
N2 N 0.5607(11) 0.4498(4) 0.4978(4)
H25 H 0.56370 0.48650 0.52410
H26 H 0.51330 0.41050 0.51170
N3 N 0.6194(9) 0.3939(3) 0.3996(4)
N4 N 0.7038(9) 0.6994(3) 0.5340(4)
N5 N 0.5602(11) 0.7605(4) 0.4515(4)
H27 H 0.50640 0.79820 0.43690
H28 H 0.57220 0.72400 0.42550
N6 N 0.6023(9) 0.8151(3) 0.5505(4)
N7 N 0.2130(9) 0.5570(4) 0.4326(4)
N8 N 0.0846(11) 0.4947(4) 0.5176(4)
H29 H 0.08880 0.53310 0.54160
H30 H 0.04020 0.45620 0.53450
N9 N 0.1322(10) 0.4362(3) 0.4176(4)
N10 N 0.1754(9) 0.7407(3) 0.5510(4)
N11 N 0.0341(10) 0.8033(3) 0.4697(4)
H31 H -0.01890 0.84130 0.45530
H32 H 0.04340 0.76660 0.44370
N12 N 0.0822(9) 0.8582(3) 0.5674(4)
N13 N 0.1299(12) 0.1949(4) 0.3307(4)
N14 N 0.3858(11) 0.5590(4) 0.6325(4)
O1 O 0.2935(10) 0.1966(5) 0.3249(6)
O2 O 0.0732(12) 0.1825(4) 0.3870(4)
O3 O 0.0361(15) 0.2039(8) 0.2829(6)
O4 O 0.2254(10) 0.5607(5) 0.6432(4)
O5 O 0.4378(11) 0.5740(4) 0.5762(4)
O6 O 0.4910(11) 0.5443(5) 0.6767(6)
#END

data_CSD_CIF_BURQUB
_audit_creation_date 2010-08-30
_audit_creation_method CSD-ConQuest-V1
_database_code_CSD BURQUB
_database_code_depnum_ccdc_archive 'CCDC 659658'
_chemical_formula_sum 'C26 H21.68 Ag2 N13 O12.34'
_chemical_formula_moiety
;
C26 H21 Ag2 N13 O12,0.34(H2 O1)
;
_journal_coden_Cambridge 29
_journal_volume 635
_journal_year 2009
_journal_page_first 2572
_journal_name_full 'Z.Anorg.Allg.Chem. '
loop_
_publ_author_name
"Yu-Guang Li"
"Qi-Bai Jiang"
"Kui-Cheng"
"Hong Yan"
"Hai-Liang Zhu"
_chemical_name_systematic
;
(μ₂-Pyrimidin-2-amine-N¹,N³)-bis(3,5-dinitrobenzoato-O)-bis(pyrimidin-2
-amine-N¹)-di-silver(i) hydrate
;
_cell_volume   3180.681
_exptl_crystal_colour 'colorless'
_exptl_crystal_density_diffrn 1.941
_exptl_crystal_description 'plate'
_diffrn_ambient_temperature 292
#These two values have been output from a single CSD field.
_refine_ls_R_factor_gt 0.0442
_refine_ls_wR_factor_gt 0.0442
_symmetry_cell_setting orthorhombic
_symmetry_space_group_name_H-M 'P c c n'
_symmetry_Int_Tables_number 56
loop_
_symmetry_equiv_pos_site_id
_symmetry_equiv_pos_as_xyz
1 x,y,z
2 1/2-x,1/2-y,z
3 -x,1/2+y,1/2-z
4 1/2+x,-y,1/2-z
5 -x,-y,-z
6 -1/2+x,-1/2+y,-z
7 x,-1/2-y,-1/2+z
8 -1/2-x,y,-1/2+z
_cell_length_a 5.4094(4)
_cell_length_b 20.8552(16)
_cell_length_c 28.194(2)
_cell_angle_alpha 90
_cell_angle_beta 90
_cell_angle_gamma 90
_cell_formula_units_Z 4
loop_
_atom_type_symbol
_atom_type_radius_bond
C 0.68
H 0.23
Ag 1.45
N 0.68
O 0.68
loop_
_atom_site_label
_atom_site_type_symbol
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
Ag1 Ag 1.21450(6) 0.843340(14) 0.010610(8)
O1 O 1.3862(4) 0.86614(11) 0.08132(7)
O2 O 1.0588(5) 0.81759(17) 0.11101(8)
O3 O 0.9991(4) 0.79332(11) 0.28353(8)
O4 O 1.2768(6) 0.83446(13) 0.32912(9)
O5 O 1.9494(4) 0.95406(10) 0.26262(7)
O6 O 1.9339(5) 0.98100(11) 0.18912(8)
O7 O 0.75000 0.75000 0.1657(4)
H1 H 0.67700 0.73530 0.14130
H2? H 0.66950 0.77990 0.17910
N1 N 1.4810(5) 0.90681(11) -0.03638(8)
N2 N 1.8256(5) 0.97544(13) -0.04986(10)
N3 N 1.7623(5) 0.93039(14) 0.02307(10)
H3 H 1.68090 0.90600 0.04210
H4 H 1.89290 0.94990 0.03280
N4 N 0.9371(4) 0.78053(12) -0.02604(8)
N5 N 0.75000 0.75000 0.04373(12)
H5 H 0.86650 0.76900 0.05900
N6 N 1.1898(5) 0.82300(12) 0.28989(9)
N7 N 1.8584(4) 0.95082(11) 0.22316(8)
C1 C 1.6860(5) 0.93764(14) -0.02196(10)
C2 C 1.7554(7) 0.98125(17) -0.09451(12)
H6 H 1.84760 1.00750 -0.11450
C3 C 1.5527(7) 0.95121(17) -0.11267(10)
H7 H 1.50840 0.95510 -0.14440
C4 C 1.4195(6) 0.91492(15) -0.08153(10)
H8 H 1.27720 0.89480 -0.09260
C5 C 0.75000 0.75000 -0.09954(16)
H9 H 0.75000 0.75000 -0.13250
C6 C 0.9336(6) 0.77882(16) -0.07285(10)
H10 H 1.06280 0.79860 -0.08900
C7 C 0.75000 0.75000 -0.00285(15)
C8 C 1.2581(6) 0.84525(14) 0.11473(11)
C9 C 1.3570(5) 0.85764(12) 0.16432(9)
C10 C 1.5655(5) 0.89562(12) 0.17074(9)
H11 H 1.64990 0.91220 0.14470
C11 C 1.6454(5) 0.90836(12) 0.21609(9)
C12 C 1.5310(5) 0.88430(12) 0.25582(9)
H12 H 1.58950 0.89270 0.28620
C13 C 1.3247(6) 0.84693(12) 0.24827(10)
C14 C 1.2338(5) 0.83330(12) 0.20349(11)
H13 H 1.09280 0.80830 0.19980
Ag1A Ag 0.28550(6) 0.656660(14) 0.010610(8)
O1A O 0.1138(4) 0.63386(11) 0.08132(7)
O2A O 0.4412(5) 0.68241(17) 0.11101(8)
O3A O 0.5009(4) 0.70668(11) 0.28353(8)
O4A O 0.2232(6) 0.66554(13) 0.32912(9)
O5A O -0.4494(4) 0.54594(10) 0.26262(7)
O6A O -0.4339(5) 0.51900(11) 0.18912(8)
H1A H 0.82300 0.76470 0.14130
N1A N 0.0190(5) 0.59319(11) -0.03638(8)
N2A N -0.3256(5) 0.52456(13) -0.04986(10)
N3A N -0.2623(5) 0.56961(14) 0.02307(10)
H3A H -0.18090 0.59400 0.04210
H4A H -0.39290 0.55010 0.03280
N4A N 0.5629(4) 0.71947(12) -0.02604(8)
H5A H 0.63350 0.73100 0.05900
N6A N 0.3102(5) 0.67700(12) 0.28989(9)
N7A N -0.3584(4) 0.54918(11) 0.22316(8)
C1A C -0.1860(5) 0.56236(14) -0.02196(10)
C2A C -0.2554(7) 0.51875(17) -0.09451(12)
H6A H -0.34760 0.49250 -0.11450
C3A C -0.0527(7) 0.54879(17) -0.11267(10)
H7A H -0.00840 0.54490 -0.14440
C4A C 0.0805(6) 0.58508(15) -0.08153(10)
H8A H 0.22280 0.60520 -0.09260
C6A C 0.5664(6) 0.72118(16) -0.07285(10)
H10A H 0.43720 0.70140 -0.08900
C8A C 0.2419(6) 0.65475(14) 0.11473(11)
C9A C 0.1430(5) 0.64236(12) 0.16432(9)
C10A C -0.0655(5) 0.60438(12) 0.17074(9)
H11A H -0.14990 0.58780 0.14470
C11A C -0.1454(5) 0.59164(12) 0.21609(9)
C12A C -0.0310(5) 0.61570(12) 0.25582(9)
H12A H -0.08950 0.60730 0.28620
C13A C 0.1753(6) 0.65307(12) 0.24827(10)
C14A C 0.2662(5) 0.66670(12) 0.20349(11)
H13A H 0.40720 0.69170 0.19980
#END

data_CSD_CIF_EPICAI
_audit_creation_date 2011-07-18
_audit_creation_method CSD-ConQuest-V1
_database_code_CSD EPICAI
_database_code_depnum_ccdc_archive 'CCDC 747009'
_chemical_formula_sum 'C15 H17 Ag3 N10 O7'
_chemical_formula_moiety
;
(C15 H17 Ag3 N10 O7)n
;
_journal_coden_Cambridge 119
_journal_volume 970
_journal_year 2010
_journal_page_first 134
_journal_name_full 'J.Mol.Struct. '
loop_
_publ_author_name
"Di Sun"
"Na Zhang"
"Qin-Juan Xu"
"Geng-Geng Luo"
"Rong-Bin Huang"
"Lan-Sun Zheng"
_chemical_name_systematic
;
catena-((μ₅-Malonato)-tris(μ₂-2-aminopyrimidine)-(nitrato-O)-tri-silver(
i))
;
_cell_volume   2282.517
_exptl_crystal_colour 'colorless'
_exptl_crystal_density_diffrn 2.249
_exptl_crystal_description 'block'
_diffrn_ambient_temperature 298
#These two values have been output from a single CSD field.
_refine_ls_R_factor_gt 0.0316
_refine_ls_wR_factor_gt 0.0316
_symmetry_cell_setting orthorhombic
_symmetry_space_group_name_H-M 'P c a 21'
_symmetry_Int_Tables_number 29
loop_
_symmetry_equiv_pos_site_id
_symmetry_equiv_pos_as_xyz
1 x,y,z
2 -x,-y,1/2+z
3 1/2+x,-y,z
4 1/2-x,y,1/2+z
_cell_length_a 13.325(3)
_cell_length_b 13.696(3)
_cell_length_c 12.507(3)
_cell_angle_alpha 90
_cell_angle_beta 90
_cell_angle_gamma 90
_cell_formula_units_Z 4
loop_
_atom_type_symbol
_atom_type_radius_bond
C 0.68
H 0.23
Ag 1.58
N 0.68
O 0.68
loop_
_atom_site_label
_atom_site_type_symbol
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
Ag1 Ag 0.07016(4) 0.73829(3) 0.73992(6)
Ag2 Ag 0.17160(3) 0.66985(3) 0.23662(4)
Ag3 Ag 0.32515(3) 0.33346(4) 0.65720(4)
C1 C 0.1241(5) 0.7342(4) 0.4841(5)
C2 C 0.2085(6) 0.8518(5) 0.3927(6)
H1 H 0.23500 0.87610 0.32930
C3 C 0.2207(7) 0.9056(5) 0.4854(7)
H2 H 0.25510 0.96470 0.48590
C4 C 0.1804(5) 0.8680(5) 0.5745(6)
H3 H 0.18640 0.90360 0.63750
C5 C 0.0877(4) 0.7039(5) 0.9980(5)
C6 C 0.0242(6) 0.8095(6) 1.1233(6)
H4 H 0.01980 0.83080 1.19380
C7 C -0.0283(7) 0.8584(6) 1.0484(8)
H5 H -0.07050 0.91010 1.06560
C8 C -0.0155(7) 0.8270(5) 0.9451(8)
H6 H -0.04930 0.86020 0.89120
C9 C 0.2441(4) 0.3089(4) 0.9039(5)
C10 C 0.1422(6) 0.1885(5) 0.9656(6)
H7 H 0.10330 0.16160 1.01980
C11 C 0.1455(6) 0.1419(5) 0.8696(7)
H8 H 0.11180 0.08340 0.85820
C12 C 0.2013(6) 0.1856(5) 0.7900(6)
H9 H 0.20560 0.15510 0.72370
C13 C 0.1747(3) 0.5133(5) 0.6938(6)
C14 C 0.0816(4) 0.4505(5) 0.7099(7)
H10 H 0.09200 0.40780 0.77080
H11 H 0.07190 0.40970 0.64740
C15 C -0.0120(4) 0.5105(4) 0.7283(6)
N1 N 0.0757(4) 0.6499(4) 0.4834(5)
H12 H 0.06860 0.61820 0.42450
H13 H 0.05140 0.62670 0.54180
N2 N 0.1325(4) 0.7834(4) 0.5784(4)
N3 N 0.1607(4) 0.7674(4) 0.3906(5)
N4 N 0.1411(4) 0.6246(4) 0.9755(4)
H14 H 0.14620 0.60480 0.91050
H15 H 0.17060 0.59300 1.02600
N5 N 0.0424(4) 0.7519(4) 0.9174(5)
N6 N 0.0815(4) 0.7332(4) 1.1025(5)
N7 N 0.2923(4) 0.3935(4) 0.9222(5)
H16 H 0.28880 0.42060 0.98410
H17 H 0.32660 0.42050 0.87200
N8 N 0.2492(4) 0.2699(3) 0.8046(5)
N9 N 0.1919(4) 0.2706(4) 0.9857(5)
N10 N -0.0778(6) 0.9511(5) 0.7115(6)
O1 O 0.2336(3) 0.4958(3) 0.6205(3)
O2 O 0.1860(3) 0.5824(3) 0.7606(3)
O3 O -0.0726(3) 0.4826(3) 0.7982(4)
O4 O -0.0240(3) 0.5843(3) 0.6695(4)
O5 O -0.0027(10) 0.9862(7) 0.7475(9)
O6 O -0.1518(7) 0.9940(5) 0.6790(8)
O7 O -0.0780(4) 0.8609(5) 0.6995(5)
Ag2* Ag 0.17160(3) 0.66985(3) 1.23662(4)
Ag2C Ag 0.32840(3) 0.66985(3) 0.73662(4)
Ag2A Ag -0.17160(3) 0.33015(3) 0.73662(4)
Ag3C Ag 0.17485(3) 0.33346(4) 1.15720(4)
Ag3B Ag -0.17485(3) 0.66654(4) 0.65720(4)
N6* N 0.0815(4) 0.7332(4) 0.1025(5)
N9C N 0.3081(4) 0.2706(4) 0.4857(5)
O2C O 0.3140(3) 0.5824(3) 0.2606(3)
O3A O 0.0726(3) 0.5174(3) 0.2982(4)
O4B O 0.4760(3) 0.4157(3) 0.6695(4)
#END

data_CSD_CIF_EPICEM
_audit_creation_date 2011-07-18
_audit_creation_method CSD-ConQuest-V1
_database_code_CSD EPICEM
_database_code_depnum_ccdc_archive 'CCDC 747011'
_chemical_formula_sum 'C27 H40 Ag2 N12 O5'
_chemical_formula_moiety
;
(C27 H38 Ag2 N12 O4)n,n(H2 O1)
;
_journal_coden_Cambridge 119
_journal_volume 970
_journal_year 2010
_journal_page_first 134
_journal_name_full 'J.Mol.Struct. '
loop_
_publ_author_name
"Di Sun"
"Na Zhang"
"Qin-Juan Xu"
"Geng-Geng Luo"
"Rong-Bin Huang"
"Lan-Sun Zheng"
_chemical_name_systematic
;
catena-((μ₃-Malonato)-tetrakis(2,4,6-trimethylpyrimidine)-di-silver(i) 
monohydrate)
;
_cell_volume   1642.309
_exptl_crystal_colour 'colorless'
_exptl_crystal_density_diffrn 1.675
_exptl_crystal_description 'block'
_diffrn_ambient_temperature 173
#These two values have been output from a single CSD field.
_refine_ls_R_factor_gt 0.0614
_refine_ls_wR_factor_gt 0.0614
_symmetry_cell_setting triclinic
_symmetry_space_group_name_H-M 'P -1'
_symmetry_Int_Tables_number 2
loop_
_symmetry_equiv_pos_site_id
_symmetry_equiv_pos_as_xyz
1 x,y,z
2 -x,-y,-z
_cell_length_a 7.5260(4)
_cell_length_b 10.2052(5)
_cell_length_c 21.5181(12)
_cell_angle_alpha 94.565(4)
_cell_angle_beta 92.406(4)
_cell_angle_gamma 93.624(4)
_cell_formula_units_Z 2
loop_
_atom_type_symbol
_atom_type_radius_bond
C 0.68
H 0.23
Ag 1.52
N 0.68
O 0.68
loop_
_atom_site_label
_atom_site_type_symbol
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
Ag1 Ag 0.24418(8) 0.63845(6) 0.13175(3)
Ag2 Ag -0.31562(8) 0.86739(6) 0.35067(3)
C1 C -0.3250(11) 0.6676(7) 0.4645(4)
C2 C -0.0613(11) 0.7928(7) 0.4651(3)
C3 C -0.0021(11) 0.7289(8) 0.5152(4)
H1 H 0.11400 0.75020 0.53370
C4 C -0.1133(11) 0.6336(8) 0.5380(3)
C5 C 0.0515(12) 0.8960(8) 0.4357(4)
H2 H -0.01670 0.92810 0.40090
H3 H 0.15890 0.85760 0.42030
H4 H 0.08560 0.96960 0.46690
C6 C -0.0540(13) 0.5612(9) 0.5929(4)
H5 H -0.14950 0.49710 0.60230
H6 H -0.02680 0.62440 0.62930
H7 H 0.05270 0.51520 0.58270
C7 C -0.2071(10) 1.1530(7) 0.3017(3)
C8 C -0.3536(10) 1.3434(7) 0.3093(4)
C9 C -0.4652(11) 1.2864(8) 0.3505(4)
H8 H -0.55420 1.33520 0.36980
C10 C -0.4454(11) 1.1587(8) 0.3630(4)
C11 C -0.3710(12) 1.4782(8) 0.2902(4)
H9 H -0.27830 1.49910 0.26120
H10 H -0.35770 1.54140 0.32710
H11 H -0.48870 1.48350 0.26960
C12 C -0.5647(14) 1.0898(9) 0.4065(4)
H12 H -0.52930 0.99960 0.40950
H13 H -0.68870 1.08720 0.39030
H14 H -0.55370 1.13760 0.44800
C13 C 0.3156(9) 0.8365(7) 0.0257(3)
C14 C 0.0333(9) 0.7329(7) 0.0163(3)
C15 C -0.0077(10) 0.8057(8) -0.0324(3)
H15 H -0.12130 0.79320 -0.05380
C16 C 0.1187(10) 0.8974(7) -0.0499(3)
C17 C 0.0858(11) 0.9811(8) -0.1031(3)
H16 H 0.19210 1.03930 -0.10790
H17 H -0.01560 1.03430 -0.09440
H18 H 0.05940 0.92420 -0.14170
C18 C -0.1014(11) 0.6350(8) 0.0392(4)
H19 H -0.04790 0.59240 0.07400
H20 H -0.13910 0.56810 0.00520
H21 H -0.20510 0.68050 0.05330
C19 C 0.1626(10) 0.3493(7) 0.1768(3)
C20 C 0.3403(10) 0.1754(7) 0.1814(4)
C21 C 0.4625(10) 0.2391(8) 0.1460(3)
H22 H 0.56740 0.19860 0.13400
C22 C 0.4295(10) 0.3617(8) 0.1286(3)
C23 C 0.3710(12) 0.0431(7) 0.2042(4)
H23 H 0.26970 0.01420 0.22810
H24 H 0.48030 0.04950 0.23100
H25 H 0.38300 -0.02090 0.16850
C24 C 0.5558(11) 0.4375(9) 0.0920(4)
H26 H 0.50780 0.52200 0.08410
H27 H 0.57260 0.38740 0.05220
H28 H 0.67050 0.45330 0.11550
C25 C -0.0117(9) 0.7207(7) 0.2510(3)
C26 C 0.1262(10) 0.6612(7) 0.2911(3)
H29 H 0.12920 0.56630 0.27780
H30 H 0.09170 0.66920 0.33510
C27 C 0.3120(11) 0.7287(7) 0.2869(3)
N1 N -0.4969(9) 0.6411(7) 0.4430(3)
H31 H -0.54140 0.68620 0.41350
H32 H -0.56360 0.57890 0.45840
N2 N -0.2270(8) 0.7634(6) 0.4398(3)
N3 N -0.2758(8) 0.6016(6) 0.5135(3)
N4 N -0.0693(9) 1.0894(7) 0.2787(3)
H33 H 0.00490 1.12900 0.25450
H34 H -0.05340 1.00830 0.28790
N5 N -0.2207(8) 1.2761(6) 0.2852(3)
N6 N -0.3161(8) 1.0890(6) 0.3391(3)
N7 N 0.4756(9) 0.8562(7) 0.0532(3)
H35 H 0.55210 0.91650 0.04090
H36 H 0.50610 0.80890 0.08400
N8 N 0.1930(8) 0.7478(6) 0.0467(3)
N9 N 0.2818(8) 0.9140(6) -0.0210(3)
N10 N 0.0046(8) 0.3965(6) 0.1887(3)
H37 H -0.02160 0.47310 0.17600
H38 H -0.07310 0.35090 0.20930
N11 N 0.2806(8) 0.4198(5) 0.1452(3)
N12 N 0.1920(8) 0.2297(6) 0.1979(3)
O1 O -0.0958(7) 0.8116(5) 0.2760(3)
O2 O -0.3648(9) 0.7587(7) 0.1582(3)
H39 H -0.249(14) 0.740(9) 0.171(4)
H40 H -0.440(13) 0.765(10) 0.184(5)
O3 O -0.0354(7) 0.6780(5) 0.1947(2)
O4 O 0.3664(7) 0.7383(6) 0.2331(2)
O5 O 0.3954(7) 0.7671(5) 0.3361(2)
Ag2* Ag 0.68438(8) 0.86739(6) 0.35067(3)
O5* O -0.6046(7) 0.7671(5) 0.3361(2)
#END

data_CSD_CIF_EXAWOQ
_audit_creation_date 2011-09-23
_audit_creation_method CSD-ConQuest-V1
_database_code_CSD EXAWOQ
_database_code_depnum_ccdc_archive 'CCDC 714576'
_chemical_formula_sum 'C40 H35 Ag2 N5 O6 P2'
_chemical_formula_moiety
;
(C40 H35 Ag2 N5 O6 P2)n
;
_journal_coden_Cambridge 580
_journal_volume 30
_journal_year 2011
_journal_page_first 2253
_journal_name_full 'Polyhedron '
loop_
_publ_author_name
"Li-Na Cui"
"Ke-Yi Hu"
"Qiong-Hua Jin"
"Zhong-Feng Li"
"Jie-Qiang Wu"
"Cun-Lin Zhang"
_chemical_name_systematic
;
catena-((μ₂-2-aminopyrimidine)-bis(μ₂-nitrato)-bis(triphenylphosphine)-d
i-silver)
;
_cell_volume   2013.457
_exptl_crystal_colour 'colorless'
_exptl_crystal_description 'block'
_diffrn_ambient_temperature 296
#These two values have been output from a single CSD field.
_refine_ls_R_factor_gt 0.0375
_refine_ls_wR_factor_gt 0.0375
_symmetry_cell_setting triclinic
_symmetry_space_group_name_H-M 'P -1'
_symmetry_Int_Tables_number 2
loop_
_symmetry_equiv_pos_site_id
_symmetry_equiv_pos_as_xyz
1 x,y,z
2 -x,-y,-z
_cell_length_a 11.3966(8)
_cell_length_b 12.1860(9)
_cell_length_c 15.0765(10)
_cell_angle_alpha 93.845(4)
_cell_angle_beta 101.617(4)
_cell_angle_gamma 99.259(4)
_cell_formula_units_Z 3
loop_
_atom_type_symbol
_atom_type_radius_bond
C 0.68
H 0.23
Ag 1.65
N 0.68
O 0.68
P 1.05
loop_
_atom_site_label
_atom_site_type_symbol
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
Ag1 Ag 0.57142(2) 0.64146(2) 0.089341(18)
Ag2 Ag 0.34181(3) 0.43168(2) 0.404784(19)
P1 P 0.77911(7) 0.72791(6) 0.11505(5)
P2 P 0.26183(8) 0.23816(7) 0.39214(6)
N1 N 0.4248(3) 0.6295(2) 0.17582(19)
N2 N 0.3642(3) 0.5698(2) 0.31008(19)
N3 N 0.5015(3) 0.4889(3) 0.2486(2)
H1 H 0.54440 0.48320 0.20810
H2 H 0.50590 0.44590 0.29160
C1 C 0.7936(3) 0.8777(2) 0.1057(2)
C2 C 0.9013(3) 0.9430(3) 0.0947(3)
H3 H 0.96870 0.91030 0.09130
C3 C 0.9076(4) 1.0573(3) 0.0890(3)
H4 H 0.97960 1.10080 0.08250
C4 C 0.8082(4) 1.1060(3) 0.0929(3)
H5 H 0.81340 1.18260 0.09020
C5 C 0.7012(4) 1.0417(3) 0.1008(3)
H6 H 0.63300 1.07450 0.10100
C6 C 0.6938(3) 0.9283(3) 0.1084(3)
H7 H 0.62140 0.88590 0.11550
C7 C 0.8707(3) 0.7135(3) 0.2259(2)
C8 C 0.9516(4) 0.7999(3) 0.2808(3)
H8 H 0.96280 0.87030 0.26030
C9 C 1.0163(4) 0.7842(4) 0.3657(3)
H9 H 1.07110 0.84340 0.40110
C10 C 0.9999(4) 0.6821(4) 0.3971(3)
H10 H 1.04260 0.67160 0.45440
C11 C 0.8550(4) 0.6099(3) 0.2590(3)
H11 H 0.80070 0.55020 0.22380
C12 C 0.9201(5) 0.5949(4) 0.3443(3)
H12 H 0.90930 0.52490 0.36570
C13 C 0.8624(3) 0.6804(2) 0.0325(2)
C14 C 0.9822(3) 0.6684(3) 0.0542(3)
H13 H 1.02470 0.68150 0.11450
C15 C 1.0401(4) 0.6367(3) -0.0134(3)
H14 H 1.12120 0.62830 0.00180
C16 C 0.9789(4) 0.6179(3) -0.1020(3)
H15 H 1.01850 0.59780 -0.14720
C17 C 0.7999(4) 0.6589(4) -0.0576(3)
H16 H 0.71810 0.66490 -0.07320
C18 C 0.8591(4) 0.6285(4) -0.1243(3)
H17 H 0.81730 0.61510 -0.18480
C19 C 0.4289(3) 0.5637(3) 0.2445(2)
C20 C 0.3519(4) 0.7053(3) 0.1747(3)
H18 H 0.34540 0.75070 0.12740
C21 C 0.2952(4) 0.6486(4) 0.3071(3)
H19 H 0.25140 0.65600 0.35230
C22 C 0.2867(4) 0.7189(4) 0.2400(3)
H20 H 0.23840 0.77370 0.23890
C23 C 0.2982(3) 0.1594(3) 0.2969(2)
C24 C 0.2187(4) 0.0771(4) 0.2389(3)
H21 H 0.14050 0.05560 0.24840
C25 C 0.2532(4) 0.0249(5) 0.1654(3)
H22 H 0.19860 -0.03160 0.12660
C26 C 0.4153(4) 0.1899(4) 0.2829(3)
H23 H 0.47130 0.24410 0.32310
C27 C 0.4485(5) 0.1391(4) 0.2088(4)
H24 H 0.52620 0.16080 0.19840
C28 C 0.3672(5) 0.0569(5) 0.1508(3)
H25 H 0.39010 0.02290 0.10140
C29 C 0.0973(3) 0.2058(3) 0.3755(2)
C30 C 0.0372(3) 0.1058(3) 0.3973(3)
H26 H 0.08170 0.05380 0.42280
C31 C 0.0293(3) 0.2826(3) 0.3386(3)
H27 H 0.06860 0.35020 0.32460
C32 C -0.0953(4) 0.2602(4) 0.3226(3)
H28 H -0.14010 0.31220 0.29730
C33 C -0.1543(4) 0.1612(4) 0.3436(3)
H29 H -0.23890 0.14650 0.33250
C34 C -0.0892(4) 0.0834(3) 0.3810(3)
H30 H -0.12950 0.01650 0.39530
C35 C 0.3173(3) 0.1696(3) 0.4922(2)
C36 C 0.3481(4) 0.0651(4) 0.4886(3)
H31 H 0.34090 0.02510 0.43250
C37 C 0.3265(4) 0.2274(3) 0.5767(3)
H32 H 0.30620 0.29820 0.58010
C38 C 0.3983(4) 0.0775(5) 0.6509(3)
H33 H 0.42680 0.04680 0.70420
C39 C 0.3899(4) 0.0188(4) 0.5682(3)
H34 H 0.41190 -0.05140 0.56550
C40 C 0.3656(4) 0.1801(4) 0.6559(3)
H35 H 0.36950 0.21820 0.71230
N4 N 0.3866(3) 0.6520(2) -0.07835(19)
N5 N 0.3223(3) 0.5866(3) 0.5587(2)
O1 O 0.4518(3) 0.5789(2) -0.06266(18)
O2 O 0.4119(2) 0.5438(3) 0.54982(19)
O3 O 0.4045(3) 0.7347(2) -0.02277(19)
H36? H 0.36990 0.71950 0.01870
O4 O 0.2301(3) 0.5647(3) 0.4971(2)
H37? H 0.23460 0.60980 0.45940
O5 O 0.3114(4) 0.6434(3) -0.1496(2)
H38? H 0.25450 0.59290 -0.14910
O6 O 0.3267(4) 0.6404(3) 0.6312(3)
H39? H 0.35050 0.70680 0.62760
Ag1A Ag 0.42858(2) 0.35854(2) -0.089341(18)
Ag2A Ag 0.65819(3) 0.56832(2) 0.595216(19)
O1A O 0.5482(3) 0.4211(2) 0.06266(18)
O2A O 0.5881(2) 0.4562(3) 0.45018(19)
#END

data_CSD_CIF_EXAWUW
_audit_creation_date 2011-09-23
_audit_creation_method CSD-ConQuest-V1
_database_code_CSD EXAWUW
_database_code_depnum_ccdc_archive 'CCDC 714583'
_chemical_formula_sum 'C44 H41 Ag2 N3 O4 P2'
_chemical_formula_moiety
;
(C44 H41 Ag2 N3 O4 P2)n
;
_journal_coden_Cambridge 580
_journal_volume 30
_journal_year 2011
_journal_page_first 2253
_journal_name_full 'Polyhedron '
loop_
_publ_author_name
"Li-Na Cui"
"Ke-Yi Hu"
"Qiong-Hua Jin"
"Zhong-Feng Li"
"Jie-Qiang Wu"
"Cun-Lin Zhang"
_chemical_name_systematic
;
catena-((μ₂-2-aminopyrimidine)-bis(μ₂-acetato)-bis(triphenylphosphine)-d
i-silver)
;
_cell_volume   2082.866
_exptl_crystal_colour 'colorless'
_exptl_crystal_density_diffrn 1.52
_exptl_crystal_description 'block'
_diffrn_ambient_temperature 298
#These two values have been output from a single CSD field.
_refine_ls_R_factor_gt 0.0828
_refine_ls_wR_factor_gt 0.0828
_symmetry_cell_setting triclinic
_symmetry_space_group_name_H-M 'P -1'
_symmetry_Int_Tables_number 2
loop_
_symmetry_equiv_pos_site_id
_symmetry_equiv_pos_as_xyz
1 x,y,z
2 -x,-y,-z
_cell_length_a 9.6810(16)
_cell_length_b 15.0332(18)
_cell_length_c 16.120(2)
_cell_angle_alpha 66.383(1)
_cell_angle_beta 75.824(1)
_cell_angle_gamma 82.612(2)
_cell_formula_units_Z 2
loop_
_atom_type_symbol
_atom_type_radius_bond
C 0.68
H 0.23
Ag 1.59
N 0.68
O 0.72
P 1.05
loop_
_atom_site_label
_atom_site_type_symbol
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
Ag1 Ag 0.41621(8) 0.51179(5) 0.60900(5)
Ag2 Ag 0.42144(8) 0.99535(5) 0.40677(5)
P1 P 0.5200(2) 0.44741(14) 0.74192(14)
P2 P 0.5190(2) 1.05339(15) 0.24517(14)
N1 N 0.3095(7) 0.6689(4) 0.5505(4)
N2 N 0.3098(7) 0.8429(5) 0.4995(5)
N3 N 0.5204(7) 0.7505(5) 0.4975(5)
H1 H 0.56670 0.80290 0.47630
H2 H 0.56570 0.69540 0.50710
O1 O 0.3474(7) 0.4303(5) 0.5258(5)
O2 O 0.1611(8) 0.4451(5) 0.6299(5)
O3 O 0.3582(7) 1.0683(5) 0.5180(5)
O4 O 0.1675(7) 1.0740(5) 0.4635(5)
C1 C 0.3772(8) 0.7546(6) 0.5156(5)
C2 C 0.1667(9) 0.8457(6) 0.5190(6)
H3 H 0.11780 0.90530 0.50890
C3 C 0.0902(9) 0.7621(6) 0.5537(6)
H4 H -0.00890 0.76430 0.56760
C4 C 0.1670(8) 0.6746(6) 0.5671(6)
H5 H 0.11750 0.61790 0.58830
C5 C 0.218(1) 0.4229(6) 0.5614(7)
C6 C 0.1240(13) 0.3818(10) 0.5235(10)
H6 H 0.15840 0.31740 0.52830
H7 H 0.12630 0.42260 0.45970
H8 H 0.02790 0.37920 0.55860
C7 C 0.2256(10) 1.0758(6) 0.5257(6)
C8 C 0.1322(12) 1.0858(9) 0.6098(8)
H9 H 0.14490 1.14790 0.61010
H10 H 0.15680 1.03530 0.66410
H11 H 0.03450 1.08050 0.60970
C9 C 0.6472(9) 0.5251(6) 0.7461(6)
C10 C 0.7836(10) 0.4933(7) 0.7658(7)
H12 H 0.81240 0.42840 0.77950
C11 C 0.8749(11) 0.5573(8) 0.7648(7)
H13 H 0.96430 0.53550 0.77820
C12 C 0.8329(12) 0.6534(8) 0.7440(8)
H14 H 0.89340 0.69610 0.74510
C13 C 0.7015(13) 0.6873(8) 0.7215(8)
H15 H 0.67490 0.75280 0.70540
C14 C 0.6112(10) 0.6227(7) 0.7233(7)
H16 H 0.52280 0.64560 0.70860
C15 C 0.6152(9) 0.3312(6) 0.7595(6)
C16 C 0.6913(10) 0.3147(7) 0.6802(6)
H17 H 0.68830 0.36110 0.62140
C17 C 0.7716(11) 0.2279(7) 0.6903(7)
H18 H 0.82300 0.21820 0.63760
C18 C 0.7766(11) 0.1581(7) 0.7743(7)
H19 H 0.82800 0.10020 0.77890
C19 C 0.7054(13) 0.1726(7) 0.8534(8)
H20 H 0.71230 0.12620 0.91150
C20 C 0.6228(11) 0.2578(7) 0.8452(6)
H21 H 0.57130 0.26580 0.89870
C21 C 0.3873(9) 0.4259(5) 0.8492(6)
C22 C 0.4205(11) 0.4245(7) 0.9295(6)
H22 H 0.51320 0.43630 0.92810
C23 C 0.3177(12) 0.4059(7) 1.0114(7)
H23 H 0.34130 0.40400 1.06470
C24 C 0.1794(12) 0.3902(8) 1.0119(8)
H24 H 0.10960 0.37900 1.06580
C25 C 0.1431(10) 0.3909(7) 0.9338(7)
H25 H 0.05030 0.37870 0.93590
C26 C 0.2461(10) 0.4101(6) 0.8519(7)
H26 H 0.22110 0.41250 0.79880
C27 C 0.3861(9) 1.0812(5) 0.1744(6)
C28 C 0.2442(9) 1.1018(6) 0.2130(7)
H27 H 0.22130 1.10010 0.27310
C29 C 0.1376(11) 1.1246(7) 0.1618(8)
H28 H 0.04430 1.13790 0.18750
C30 C 0.1741(13) 1.1272(8) 0.0700(9)
H29 H 0.10490 1.14430 0.03470
C31 C 0.3119(12) 1.1045(7) 0.0328(7)
H30 H 0.33440 1.10310 -0.02620
C32 C 0.4161(11) 1.0838(7) 0.0840(6)
H31 H 0.50920 1.07120 0.05740
C33 C 0.6190(9) 1.1650(5) 0.2008(6)
C34 C 0.6842(9) 1.1806(6) 0.2620(6)
H32 H 0.67470 1.13600 0.32290
C35 C 0.7639(11) 1.2637(8) 0.2315(8)
H33 H 0.80960 1.27270 0.27190
C36 C 0.7752(11) 1.3303(7) 0.1451(8)
H34 H 0.82700 1.38540 0.12680
C37 C 0.7102(12) 1.3182(7) 0.0812(8)
H35 H 0.71860 1.36420 0.02100
C38 C 0.6320(11) 1.2340(7) 0.1119(6)
H36 H 0.58780 1.22470 0.07100
C39 C 0.6458(9) 0.9677(5) 0.2093(6)
C40 C 0.615(1) 0.8705(7) 0.2494(7)
H37 H 0.52640 0.85130 0.28800
C41 C 0.7137(13) 0.8013(7) 0.2330(8)
H38 H 0.69030 0.73630 0.26020
C42 C 0.8472(12) 0.8274(8) 0.1766(8)
H39 H 0.91240 0.78000 0.16580
C43 C 0.8824(11) 0.9219(8) 0.1372(8)
H40 H 0.97280 0.93910 0.10040
C44 C 0.7833(10) 0.9945(7) 0.1516(7)
H41 H 0.80750 1.05940 0.12360
Ag1A Ag 0.58379(8) 0.48821(5) 0.39100(5)
Ag2A Ag 0.57856(8) 1.00465(5) 0.59323(5)
O1A O 0.6526(7) 0.5697(5) 0.4742(5)
O3A O 0.6418(7) 0.9317(5) 0.4820(5)
#END

data_CSD_CIF_EXAXAD
_audit_creation_date 2011-09-23
_audit_creation_method CSD-ConQuest-V1
_database_code_CSD EXAXAD
_database_code_depnum_ccdc_archive 'CCDC 716491'
_chemical_formula_sum 'C82 H78 Ag2 N6 O6 P4 S1'
_chemical_formula_moiety
;
C80 H70 Ag2 N6 O4 P4 S1,2(C1 H4 O1)
;
_journal_coden_Cambridge 580
_journal_volume 30
_journal_year 2011
_journal_page_first 2253
_journal_name_full 'Polyhedron '
loop_
_publ_author_name
"Li-Na Cui"
"Ke-Yi Hu"
"Qiong-Hua Jin"
"Zhong-Feng Li"
"Jie-Qiang Wu"
"Cun-Lin Zhang"
_chemical_name_systematic
;
(μ₂-sulfato)-bis(pyrimidin-2-amine)-tetrakis(triphenylphosphine)-di-silver 
methanol solvate
;
_cell_volume   7659.298
_exptl_crystal_colour 'colorless'
_exptl_crystal_density_diffrn 1.401
_exptl_crystal_description 'block'
_diffrn_ambient_temperature 298
#These two values have been output from a single CSD field.
_refine_ls_R_factor_gt 0.0576
_refine_ls_wR_factor_gt 0.0576
_symmetry_cell_setting monoclinic
_symmetry_space_group_name_H-M 'C 2/c'
_symmetry_Int_Tables_number 15
loop_
_symmetry_equiv_pos_site_id
_symmetry_equiv_pos_as_xyz
1 x,y,z
2 -x,y,1/2-z
3 1/2+x,1/2+y,z
4 1/2-x,1/2+y,1/2-z
5 -x,-y,-z
6 x,-y,-1/2+z
7 -1/2-x,-1/2-y,-z
8 -1/2+x,-1/2-y,-1/2+z
_cell_length_a 17.1237(17)
_cell_length_b 21.649(2)
_cell_length_c 21.770(2)
_cell_angle_alpha 90
_cell_angle_beta 108.366(2)
_cell_angle_gamma 90
_cell_formula_units_Z 4
loop_
_atom_type_symbol
_atom_type_radius_bond
C 0.68
H 0.23
Ag 1.45
N 0.68
O 0.68
P 1.05
S 1.02
loop_
_atom_site_label
_atom_site_type_symbol
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
Ag1 Ag 0.68399(3) 0.42214(3) 0.23709(2)
P1 P 0.74202(11) 0.33662(9) 0.19041(8)
P2 P 0.74217(12) 0.47750(9) 0.34037(8)
S1 S 0.50000 0.38408(14) 0.25000
N1 N 0.6624(5) 0.5036(3) 0.1525(3)
N2 N 0.6022(5) 0.5305(4) 0.0410(3)
N3 N 0.5345(4) 0.4698(3) 0.0917(3)
H1 H 0.49480 0.46810 0.05580
H2 H 0.53060 0.45060 0.12520
O1 O 0.5403(3) 0.4226(3) 0.2153(2)
O2 O 0.5619(5) 0.3474(4) 0.2935(4)
O3 O 0.5915(7) 0.2380(5) 0.3483(5)
H3 H 0.56400 0.26760 0.33020
C1 C 0.6005(6) 0.5016(4) 0.0954(4)
C2 C 0.6698(8) 0.5616(5) 0.0457(5)
H4 H 0.67310 0.58190 0.00900
C3 C 0.7346(7) 0.5660(5) 0.1000(5)
H5 H 0.78120 0.58860 0.10100
C4 C 0.7287(6) 0.5357(4) 0.1539(4)
H6 H 0.77240 0.53780 0.19220
C5 C 0.6700(4) 0.2984(3) 0.1215(3)
C6 C 0.5882(4) 0.3021(4) 0.1141(3)
H7 H 0.57100 0.32390 0.14440
C7 C 0.5295(5) 0.2738(4) 0.0620(4)
H8 H 0.47370 0.27730 0.05700
C8 C 0.5552(5) 0.2411(4) 0.0187(4)
H9 H 0.51650 0.22180 -0.01590
C9 C 0.6366(5) 0.2360(4) 0.0249(4)
H10 H 0.65330 0.21320 -0.00490
C10 C 0.6942(5) 0.2648(4) 0.0759(3)
H11 H 0.74970 0.26190 0.07980
C11 C 0.7873(4) 0.2753(4) 0.2477(3)
C12 C 0.8143(5) 0.2891(4) 0.3124(4)
H12 H 0.80690 0.32890 0.32560
C13 C 0.8519(5) 0.2459(5) 0.3586(4)
H13 H 0.87010 0.25670 0.40220
C14 C 0.8624(5) 0.1875(5) 0.3402(5)
H14 H 0.88780 0.15780 0.37090
C15 C 0.8360(6) 0.1730(5) 0.2777(5)
H15 H 0.84360 0.13300 0.26520
C16 C 0.7973(5) 0.2159(4) 0.2303(4)
H16 H 0.77830 0.20430 0.18700
C17 C 0.8252(4) 0.3566(4) 0.1587(3)
C18 C 0.8993(5) 0.3262(5) 0.1760(4)
H17 H 0.90960 0.29430 0.20600
C19 C 0.9596(6) 0.3438(6) 0.1479(5)
H18 H 1.00980 0.32310 0.15900
C20 C 0.9450(7) 0.3900(6) 0.1054(5)
H19 H 0.98590 0.40160 0.08790
C21 C 0.8741(7) 0.4198(5) 0.0873(5)
H20 H 0.86510 0.45150 0.05700
C22 C 0.8125(5) 0.4035(4) 0.1140(4)
H21 H 0.76260 0.42460 0.10150
C23 C 0.8282(5) 0.5245(4) 0.3378(4)
C24 C 0.8889(6) 0.4970(5) 0.3194(4)
H22 H 0.88480 0.45500 0.30970
C25 C 0.9571(7) 0.5297(6) 0.3144(5)
H23 H 0.99870 0.50970 0.30300
C26 C 0.9611(8) 0.5908(7) 0.3264(5)
H24 H 1.00600 0.61330 0.32330
C27 C 0.9025(9) 0.6189(6) 0.3423(5)
H25 H 0.90540 0.66150 0.34860
C28 C 0.8358(7) 0.5865(5) 0.3501(5)
H26 H 0.79640 0.60710 0.36360
C29 C 0.6769(5) 0.5305(4) 0.3665(4)
C30 C 0.6995(6) 0.5552(5) 0.4284(4)
H27 H 0.74780 0.54210 0.45910
C31 C 0.6507(7) 0.5993(5) 0.4449(5)
H28 H 0.66720 0.61640 0.48620
C32 C 0.5799(6) 0.6173(5) 0.4014(5)
H29 H 0.54720 0.64710 0.41220
C33 C 0.5562(6) 0.5918(5) 0.3415(5)
H30 H 0.50680 0.60380 0.31130
C34 C 0.6043(5) 0.5484(4) 0.3247(4)
H31 H 0.58630 0.53100 0.28360
C35 C 0.7856(6) 0.4279(4) 0.4095(4)
C36 C 0.8618(6) 0.4381(4) 0.4553(4)
H32 H 0.89260 0.47260 0.45210
C37 C 0.8930(8) 0.3954(6) 0.5075(5)
H33 H 0.94410 0.40110 0.53850
C38 C 0.8453(9) 0.3467(6) 0.5099(5)
H34 H 0.86510 0.31890 0.54380
C39 C 0.7718(8) 0.3354(5) 0.4673(5)
H35 H 0.74140 0.30120 0.47190
C40 C 0.7410(6) 0.3762(4) 0.4151(4)
H36 H 0.69040 0.36840 0.38420
C41 C 0.6230(8) 0.2093(6) 0.3071(7)
H37 H 0.67200 0.23020 0.30630
H38 H 0.58340 0.20960 0.26460
H39 H 0.63610 0.16740 0.32090
Ag1A Ag 0.31601(3) 0.42214(3) 0.26291(2)
P1A P 0.25798(11) 0.33662(9) 0.30959(8)
P2A P 0.25783(12) 0.47750(9) 0.15963(8)
N1A N 0.3376(5) 0.5036(3) 0.3475(3)
N2A N 0.3978(5) 0.5305(4) 0.4590(3)
N3A N 0.4655(4) 0.4698(3) 0.4083(3)
H1A H 0.50520 0.46810 0.44420
H2A H 0.46940 0.45060 0.37480
O1A O 0.4597(3) 0.4226(3) 0.2847(2)
O2A O 0.4381(5) 0.3474(4) 0.2065(4)
C1A C 0.3995(6) 0.5016(4) 0.4046(4)
C2A C 0.3302(8) 0.5616(5) 0.4543(5)
H4A H 0.32690 0.58190 0.49100
C3A C 0.2654(7) 0.5660(5) 0.4000(5)
H5A H 0.21880 0.58860 0.39900
C4A C 0.2713(6) 0.5357(4) 0.3461(4)
H6A H 0.22760 0.53780 0.30780
C5A C 0.3300(4) 0.2984(3) 0.3785(3)
C6A C 0.4118(4) 0.3021(4) 0.3859(3)
H7A H 0.42900 0.32390 0.35560
C7A C 0.4705(5) 0.2738(4) 0.4380(4)
H8A H 0.52630 0.27730 0.44300
C8A C 0.4448(5) 0.2411(4) 0.4813(4)
H9A H 0.48350 0.22180 0.51590
C9A C 0.3634(5) 0.2360(4) 0.4751(4)
H10A H 0.34670 0.21320 0.50490
C10A C 0.3058(5) 0.2648(4) 0.4241(3)
H11A H 0.25030 0.26190 0.42020
C11A C 0.2127(4) 0.2753(4) 0.2523(3)
C12A C 0.1857(5) 0.2891(4) 0.1876(4)
H12A H 0.19310 0.32890 0.17440
C13A C 0.1481(5) 0.2459(5) 0.1414(4)
H13A H 0.12990 0.25670 0.09780
C14A C 0.1376(5) 0.1875(5) 0.1598(5)
H14A H 0.11220 0.15780 0.12910
C15A C 0.1640(6) 0.1730(5) 0.2223(5)
H15A H 0.15640 0.13300 0.23480
C16A C 0.2027(5) 0.2159(4) 0.2697(4)
H16A H 0.22170 0.20430 0.31300
C17A C 0.1748(4) 0.3566(4) 0.3413(3)
C18A C 0.1007(5) 0.3262(5) 0.3240(4)
H17A H 0.09040 0.29430 0.29400
C19A C 0.0404(6) 0.3438(6) 0.3521(5)
H18A H -0.00980 0.32310 0.34100
C20A C 0.0550(7) 0.3900(6) 0.3946(5)
H19A H 0.01410 0.40160 0.41210
C21A C 0.1259(7) 0.4198(5) 0.4127(5)
H20A H 0.13490 0.45150 0.44300
C22A C 0.1875(5) 0.4035(4) 0.3860(4)
H21A H 0.23740 0.42460 0.39850
C23A C 0.1718(5) 0.5245(4) 0.1622(4)
C24A C 0.1111(6) 0.4970(5) 0.1806(4)
H22A H 0.11520 0.45500 0.19030
C25A C 0.0429(7) 0.5297(6) 0.1856(5)
H23A H 0.00130 0.50970 0.19700
C26A C 0.0389(8) 0.5908(7) 0.1736(5)
H24A H -0.00600 0.61330 0.17670
C27A C 0.0975(9) 0.6189(6) 0.1577(5)
H25A H 0.09460 0.66150 0.15140
C28A C 0.1642(7) 0.5865(5) 0.1499(5)
H26A H 0.20360 0.60710 0.13640
C29A C 0.3231(5) 0.5305(4) 0.1335(4)
C30A C 0.3005(6) 0.5552(5) 0.0716(4)
H27A H 0.25220 0.54210 0.04090
C31A C 0.3493(7) 0.5993(5) 0.0551(5)
H28A H 0.33280 0.61640 0.01380
C32A C 0.4201(6) 0.6173(5) 0.0986(5)
H29A H 0.45280 0.64710 0.08780
C33A C 0.4438(6) 0.5918(5) 0.1585(5)
H30A H 0.49320 0.60380 0.18870
C34A C 0.3957(5) 0.5484(4) 0.1753(4)
H31A H 0.41370 0.53100 0.21640
C35A C 0.2144(6) 0.4279(4) 0.0905(4)
C36A C 0.1382(6) 0.4381(4) 0.0447(4)
H32A H 0.10740 0.47260 0.04790
C37A C 0.1070(8) 0.3954(6) -0.0075(5)
H33A H 0.05590 0.40110 -0.03850
C38A C 0.1547(9) 0.3467(6) -0.0099(5)
H34A H 0.13490 0.31890 -0.04380
C39A C 0.2282(8) 0.3354(5) 0.0327(5)
H35A H 0.25860 0.30120 0.02810
C40A C 0.2590(6) 0.3762(4) 0.0849(4)
H36A H 0.30960 0.36840 0.11580
#END

data_CSD_CIF_EXAXEH
_audit_creation_date 2011-09-23
_audit_creation_method CSD-ConQuest-V1
_database_code_CSD EXAXEH
_database_code_depnum_ccdc_archive 'CCDC 716493'
_chemical_formula_sum 'C26 H25 Ag1 B1 F4 N6 P1'
_chemical_formula_moiety
;
C26 H25 Ag1 N6 P1 1+,B1 F4 1-
;
_journal_coden_Cambridge 580
_journal_volume 30
_journal_year 2011
_journal_page_first 2253
_journal_name_full 'Polyhedron '
loop_
_publ_author_name
"Li-Na Cui"
"Ke-Yi Hu"
"Qiong-Hua Jin"
"Zhong-Feng Li"
"Jie-Qiang Wu"
"Cun-Lin Zhang"
_chemical_name_systematic
;
bis(pyrimidin-2-amine)-(triphenylphosphine)-silver tetrafluoroborate
;
_cell_volume   5677.231
_exptl_crystal_colour 'colorless'
_exptl_crystal_density_diffrn 1.514
_exptl_crystal_description 'block'
_diffrn_ambient_temperature 298
_refine_special_details
;
F2,F3,F4 and F2',F3',F4' disordered over two sites with occupancies 
;
#These two values have been output from a single CSD field.
_refine_ls_R_factor_gt 0.05
_refine_ls_wR_factor_gt 0.05
_symmetry_cell_setting orthorhombic
_symmetry_space_group_name_H-M 'P b c a'
_symmetry_Int_Tables_number 61
loop_
_symmetry_equiv_pos_site_id
_symmetry_equiv_pos_as_xyz
1 x,y,z
2 1/2-x,-y,1/2+z
3 -x,1/2+y,1/2-z
4 1/2+x,1/2-y,-z
5 -x,-y,-z
6 -1/2+x,y,-1/2-z
7 x,-1/2-y,-1/2+z
8 -1/2-x,-1/2+y,z
_cell_length_a 18.6002(17)
_cell_length_b 15.7592(16)
_cell_length_c 19.368(2)
_cell_angle_alpha 90
_cell_angle_beta 90
_cell_angle_gamma 90
_cell_formula_units_Z 8
loop_
_atom_type_symbol
_atom_type_radius_bond
C 0.68
H 0.23
Ag 1.45
B 0.83
F 0.64
N 0.68
P 1.05
loop_
_atom_site_label
_atom_site_type_symbol
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
Ag1 Ag 0.24826(2) 0.02014(4) 0.12473(2)
P1 P 0.27838(9) 0.06618(10) 0.23746(8)
F1 F 0.1538(3) 0.3214(3) 0.1072(3)
F2 F 0.0728(9) 0.2464(10) 0.0475(12)
F3 F 0.1829(8) 0.203(1) 0.0593(12)
F4 F 0.1122(13) 0.1975(10) 0.1473(7)
N1 N 0.3129(3) 0.0425(4) 0.0240(3)
N2 N 0.4259(3) 0.0679(4) -0.0311(3)
N3 N 0.4193(3) -0.0146(4) 0.0653(3)
H1 H 0.45880 -0.03640 0.04650
H2 H 0.39040 -0.05650 0.07880
N4 N 0.1662(3) -0.0634(4) 0.0711(3)
N5 N 0.0554(3) -0.0929(3) 0.0147(3)
N6 N 0.0760(3) 0.0342(4) 0.0664(4)
H3 H 0.04430 0.05060 0.03470
H4 H 0.11280 0.07020 0.06710
B1 B 0.1273(6) 0.2443(6) 0.0915(5)
C1 C 0.3853(4) 0.0323(4) 0.0181(4)
C2 C 0.3904(5) 0.1100(5) -0.0793(4)
H5 H 0.41690 0.13570 -0.11420
C3 C 0.3177(5) 0.1183(5) -0.0813(4)
H6 H 0.29440 0.14550 -0.11760
C4 C 0.2807(5) 0.0845(5) -0.0269(4)
H7 H 0.23100 0.09120 -0.02540
C5 C 0.1003(3) -0.0423(4) 0.0500(3)
C6 C 0.0779(5) -0.1705(5) 0.0031(5)
H8 H 0.04740 -0.20810 -0.01960
C7 C 0.1442(5) -0.1983(6) 0.0228(6)
H9 H 0.16020 -0.25280 0.01280
C8 C 0.1854(4) -0.1421(6) 0.0578(5)
H10 H 0.23010 -0.16020 0.07350
C9 C 0.3303(3) -0.0125(4) 0.2829(4)
C10 C 0.3401(4) -0.0906(5) 0.2555(4)
H11 H 0.32090 -0.10230 0.21220
C11 C 0.3779(5) -0.1538(5) 0.2896(5)
H12 H 0.38370 -0.20650 0.26860
C12 C 0.4057(5) -0.1406(6) 0.3512(5)
H13 H 0.43050 -0.18360 0.37380
C13 C 0.3978(6) -0.0647(7) 0.3808(5)
H14 H 0.41820 -0.05460 0.42390
C14 C 0.3595(5) -0.0009(6) 0.3483(5)
H15 H 0.35320 0.05090 0.37060
C15 C 0.3321(4) 0.1619(4) 0.2392(4)
C16 C 0.4050(5) 0.1587(6) 0.2527(6)
H16 H 0.42700 0.10700 0.26230
C17 C 0.4461(6) 0.2342(7) 0.2520(7)
H17 H 0.49510 0.23260 0.26140
C18 C 0.4128(6) 0.3100(6) 0.2374(6)
H18 H 0.44000 0.35890 0.23090
C19 C 0.3426(5) 0.3128(5) 0.2325(5)
H19 H 0.31960 0.36500 0.22810
C20 C 0.3024(5) 0.2393(5) 0.2339(5)
H20 H 0.25260 0.24350 0.23100
C21 C 0.2031(4) 0.0879(4) 0.2943(4)
C22 C 0.1357(4) 0.0616(5) 0.2748(4)
H21 H 0.12890 0.03530 0.23230
C23 C 0.0771(5) 0.0748(6) 0.3195(6)
H22 H 0.03140 0.05620 0.30740
C24 C 0.0882(6) 0.1148(7) 0.3800(5)
H23 H 0.04900 0.12410 0.40890
C25 C 0.1528(6) 0.1418(6) 0.4006(5)
H24 H 0.15880 0.16860 0.44300
C26 C 0.2107(5) 0.1286(5) 0.3570(4)
H25 H 0.25600 0.14780 0.37020
F5? F 0.1607(11) 0.1818(9) 0.1243(11)
F6? F 0.0572(8) 0.2468(13) 0.1121(15)
F7? F 0.1254(16) 0.2278(10) 0.0235(8)
#END

data_CSD_CIF_EXEMOK
_audit_creation_date 2011-10-03
_audit_creation_method CSD-ConQuest-V1
_database_code_CSD EXEMOK
_database_code_depnum_ccdc_archive 'CCDC 679180'
_chemical_formula_sum 'C9 H8 Ag1 Cl2 F3 N6 O3 S1'
_chemical_formula_moiety
;
(C8 H8 Ag1 Cl2 N6 1+)n,n(C1 F3 O3 S1 1-)
;
_journal_coden_Cambridge 580
_journal_volume 30
_journal_year 2011
_journal_page_first 2260
_journal_name_full 'Polyhedron '
loop_
_publ_author_name
"Chia-Jun Wu"
"Chih-Yuan Lin"
"Pei-Chi Cheng"
"Chun-Wei Yeh"
"Jhy-Der Chen"
"Ju-Chun Wang"
_chemical_name_systematic
;
catena-((μ₂-5-chloropyrimidin-2-amine)-silver trifluoromethanesulfonate)
;
_cell_volume   1648.877
_exptl_crystal_colour 'colorless'
_exptl_crystal_density_diffrn 2.079
_exptl_crystal_description 'plate'
_diffrn_ambient_temperature 295
#These two values have been output from a single CSD field.
_refine_ls_R_factor_gt 0.0394
_refine_ls_wR_factor_gt 0.0394
_symmetry_cell_setting monoclinic
_symmetry_space_group_name_H-M 'P 21/c'
_symmetry_Int_Tables_number 14
loop_
_symmetry_equiv_pos_site_id
_symmetry_equiv_pos_as_xyz
1 x,y,z
2 -x,1/2+y,1/2-z
3 -x,-y,-z
4 x,-1/2-y,-1/2+z
_cell_length_a 11.998(2)
_cell_length_b 7.4919(19)
_cell_length_c 18.929(4)
_cell_angle_alpha 90
_cell_angle_beta 104.285(11)
_cell_angle_gamma 90
_cell_formula_units_Z 4
loop_
_atom_type_symbol
_atom_type_radius_bond
C 0.68
H 0.23
Ag 1.45
Cl 0.99
F 0.64
N 0.68
O 0.68
S 1.02
loop_
_atom_site_label
_atom_site_type_symbol
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
Ag1 Ag -0.00551(3) -0.00329(6) 0.193673(17)
Cl1 Cl -0.41655(12) -0.1848(2) 0.28362(8)
Cl2 Cl 0.40275(13) -0.0843(3) 0.09333(8)
N1 N -0.1069(3) -0.0187(5) 0.27691(19)
N2 N 0.0257(3) 0.1577(6) 0.35666(19)
H1 H 0.04600 0.21950 0.39600
H2 H 0.07050 0.15070 0.32760
N3 N -0.1435(4) 0.0864(6) 0.3876(2)
N4 N 0.0989(3) 0.0708(6) 0.11681(19)
N5 N -0.0428(3) 0.2410(6) 0.0412(2)
H3 H -0.08440 0.22970 0.07200
H4 H -0.06810 0.30130 0.00190
N6 N 0.1217(4) 0.1887(6) 0.00372(19)
C1 C -0.0765(4) 0.0714(7) 0.3405(2)
C2 C -0.2454(4) 0.0080(7) 0.3693(3)
H5 H -0.29390 0.01830 0.40060
C3 C -0.2828(4) -0.0879(8) 0.3059(3)
C4 C -0.2107(4) -0.0977(7) 0.2610(3)
H6 H -0.23390 -0.16130 0.21770
C5 C 0.0612(4) 0.1648(7) 0.0546(2)
C6 C 0.2244(4) 0.1117(7) 0.0165(3)
H7 H 0.26740 0.12410 -0.01790
C7 C 0.2696(4) 0.0145(7) 0.0785(3)
C8 C 0.2035(4) -0.0010(7) 0.1277(2)
H8 H 0.23280 -0.06420 0.17060
S1 S 0.26658(10) -0.1803(2) 0.33582(6)
F1 F 0.4161(5) 0.0689(7) 0.3843(2)
F2 F 0.4489(3) -0.1682(7) 0.4435(2)
F3 F 0.3125(4) -0.0038(6) 0.4570(2)
O1 O 0.1910(4) -0.0386(7) 0.3025(2)
O2 O 0.3332(3) -0.2506(5) 0.29012(19)
O3 O 0.2148(4) -0.3076(7) 0.3739(2)
C9 C 0.3663(5) -0.0637(9) 0.4086(3)
Ag1A Ag 0.00551(3) 0.49671(6) 0.306327(17)
N2A N -0.0257(3) -0.3423(6) 0.14334(19)
H1A H -0.04600 -0.28050 0.10400
H2A H -0.07050 -0.34930 0.17240
#END

data_CSD_CIF_EXEMUQ
_audit_creation_date 2011-10-03
_audit_creation_method CSD-ConQuest-V1
_database_code_CSD EXEMUQ
_database_code_depnum_ccdc_archive 'CCDC 679181'
_chemical_formula_sum 'C9 H8 Ag1 Br2 F3 N6 O3 S1'
_chemical_formula_moiety
;
C8 H8 Ag1 Br2 N6 1+,C1 F3 O3 S1 1-
;
_journal_coden_Cambridge 580
_journal_volume 30
_journal_year 2011
_journal_page_first 2260
_journal_name_full 'Polyhedron '
loop_
_publ_author_name
"Chia-Jun Wu"
"Chih-Yuan Lin"
"Pei-Chi Cheng"
"Chun-Wei Yeh"
"Jhy-Der Chen"
"Ju-Chun Wang"
_chemical_name_systematic
;
bis(5-Bromopyrimidin-2-amine)-silver trifluoromethanesulfonate
;
_cell_volume   1697.454
_exptl_crystal_colour 'colorless'
_exptl_crystal_density_diffrn 2.367
_exptl_crystal_description 'plate'
_diffrn_ambient_temperature 295
#These two values have been output from a single CSD field.
_refine_ls_R_factor_gt 0.0324
_refine_ls_wR_factor_gt 0.0324
_symmetry_cell_setting monoclinic
_symmetry_space_group_name_H-M 'P 21/c'
_symmetry_Int_Tables_number 14
loop_
_symmetry_equiv_pos_site_id
_symmetry_equiv_pos_as_xyz
1 x,y,z
2 -x,1/2+y,1/2-z
3 -x,-y,-z
4 x,-1/2-y,-1/2+z
_cell_length_a 12.2684(15)
_cell_length_b 7.4596(8)
_cell_length_c 19.0318(14)
_cell_angle_alpha 90
_cell_angle_beta 102.948(7)
_cell_angle_gamma 90
_cell_formula_units_Z 4
loop_
_atom_type_symbol
_atom_type_radius_bond
C 0.68
H 0.23
Ag 1.45
Br 1.21
F 0.64
N 0.68
O 0.68
S 1.02
loop_
_atom_site_label
_atom_site_type_symbol
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
Ag1 Ag -0.00534(3) 0.00561(7) 0.194380(19)
Br1 Br -0.41960(5) -0.17372(10) 0.28672(3)
Br2 Br 0.40315(5) -0.09035(10) 0.08967(3)
N1 N -0.1037(3) -0.0079(5) 0.27799(19)
N2 N 0.0267(3) 0.1629(6) 0.3562(2)
H1 H 0.04780 0.22230 0.39560
H2 H 0.06930 0.15710 0.32600
N3 N -0.1371(3) 0.0912(6) 0.3901(2)
N4 N 0.0962(3) 0.0749(6) 0.11631(18)
N5 N -0.0424(3) 0.2437(6) 0.0420(2)
H3 H -0.06700 0.30240 0.00280
H4 H -0.08290 0.23380 0.07330
N6 N 0.1174(3) 0.1889(6) 0.00305(19)
C1 C -0.0731(4) 0.0789(6) 0.3416(2)
C2 C -0.2369(4) 0.0154(7) 0.3734(3)
H5 H -0.28320 0.02440 0.40580
C3 C -0.2752(4) -0.0769(7) 0.3096(3)
C4 C -0.2047(4) -0.0849(7) 0.2633(3)
H6 H -0.22780 -0.14610 0.21990
C5 C 0.0579(4) 0.1685(6) 0.0543(2)
C6 C 0.2170(4) 0.1118(7) 0.0140(2)
H7 H 0.25800 0.12260 -0.02130
C7 C 0.2621(4) 0.0169(7) 0.0753(2)
C8 C 0.1980(4) 0.0047(7) 0.1261(2)
H8 H 0.22740 -0.05510 0.16910
S1 S 0.26249(10) -0.1728(2) 0.33399(6)
F1 F 0.3972(5) 0.0909(6) 0.3811(2)
F2 F 0.4361(3) -0.1465(7) 0.4401(2)
F3 F 0.2974(4) 0.0054(6) 0.4539(2)
O1 O 0.1868(4) -0.0365(8) 0.2993(2)
O2 O 0.3327(3) -0.2389(6) 0.28992(19)
O3 O 0.2135(4) -0.3042(7) 0.3725(2)
C9 C 0.3544(6) -0.0499(9) 0.4060(3)
#END

data_CSD_CIF_EXENAX
_audit_creation_date 2011-10-03
_audit_creation_method CSD-ConQuest-V1
_database_code_CSD EXENAX
_database_code_depnum_ccdc_archive 'CCDC 679182'
_chemical_formula_sum 'C10 H8 Ag2 F6 I2 N6 O6 S2'
_chemical_formula_moiety
;
(C10 H8 Ag2 F6 I2 N6 O6 S2)n
;
_journal_coden_Cambridge 580
_journal_volume 30
_journal_year 2011
_journal_page_first 2260
_journal_name_full 'Polyhedron '
loop_
_publ_author_name
"Chia-Jun Wu"
"Chih-Yuan Lin"
"Pei-Chi Cheng"
"Chun-Wei Yeh"
"Jhy-Der Chen"
"Ju-Chun Wang"
_chemical_name_systematic
;
catena-(bis(μ₃-5-Iodopyrimidin-2-amine)-bis(trifluoromethanesulfonato)-di-s
ilver)
;
_cell_volume   2306.262
_exptl_crystal_colour 'colorless'
_exptl_crystal_density_diffrn 2.753
_exptl_crystal_description 'plate'
_diffrn_ambient_temperature 295
#These two values have been output from a single CSD field.
_refine_ls_R_factor_gt 0.0318
_refine_ls_wR_factor_gt 0.0318
_symmetry_cell_setting monoclinic
_symmetry_space_group_name_H-M 'P 21/c'
_symmetry_Int_Tables_number 14
loop_
_symmetry_equiv_pos_site_id
_symmetry_equiv_pos_as_xyz
1 x,y,z
2 -x,1/2+y,1/2-z
3 -x,-y,-z
4 x,-1/2-y,-1/2+z
_cell_length_a 7.7334(12)
_cell_length_b 25.833(2)
_cell_length_c 12.0623(13)
_cell_angle_alpha 90
_cell_angle_beta 106.854(12)
_cell_angle_gamma 90
_cell_formula_units_Z 4
loop_
_atom_type_symbol
_atom_type_radius_bond
C 0.68
H 0.23
Ag 1.45
F 0.64
I 1.40
N 0.68
O 0.68
S 1.02
loop_
_atom_site_label
_atom_site_type_symbol
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
I1 I 0.12933(5) 0.431388(13) 0.37316(3)
I2 I 0.37997(5) 0.177002(13) 0.13893(3)
Ag1 Ag 0.49394(7) 0.391780(17) 0.32876(4)
Ag2 Ag -0.13537(6) 0.646946(16) 0.20889(4)
S1 S 0.50736(18) 0.53834(5) 0.21678(10)
S2 S 0.07867(17) 0.78543(5) 0.23450(11)
O1 O 0.4880(6) 0.56479(16) 0.3167(3)
O2 O 0.6518(6) 0.5569(2) 0.1760(4)
O3 O 0.4990(7) 0.48291(15) 0.2238(4)
O4 O 0.0215(6) 0.73663(15) 0.2689(4)
O5 O 0.2272(6) 0.78271(19) 0.1873(4)
O6 O -0.0685(6) 0.81784(15) 0.1730(4)
N1 N 0.2643(5) 0.32639(15) -0.0252(3)
N2 N 0.3074(7) 0.40927(16) 0.0466(4)
H1 H 0.33810 0.43090 0.10320
H2 H 0.27110 0.42040 -0.02350
N3 N 0.3734(5) 0.34207(16) 0.1780(3)
N4 N 0.0613(6) 0.59685(16) 0.3405(3)
N5 N 0.1894(7) 0.66485(17) 0.4609(4)
H3 H 0.26460 0.67670 0.52290
H4 H 0.11990 0.68570 0.41250
N6 N 0.2922(6) 0.58244(16) 0.5183(3)
C1 C 0.3813(7) 0.29146(19) 0.1965(4)
H5 H 0.41750 0.27940 0.27240
C2 C 0.3376(7) 0.25609(18) 0.1075(4)
C3 C 0.2784(6) 0.27563(18) -0.0041(4)
H6 H 0.24760 0.25270 -0.06610
C4 C 0.3161(6) 0.35900(18) 0.0674(4)
C5 C 0.1561(7) 0.51083(19) 0.4020(4)
C6 C 0.2775(7) 0.53167(19) 0.4987(4)
H7 H 0.35210 0.50940 0.55230
C7 C 0.1804(6) 0.61410(18) 0.4398(4)
C8 C 0.0502(7) 0.54580(19) 0.3236(4)
H8 H -0.03180 0.53310 0.25670
C9 C 0.3104(9) 0.5552(3) 0.1000(5)
C10 C 0.1716(7) 0.8191(2) 0.3714(5)
F1 F 0.2865(11) 0.6047(2) 0.0934(5)
F2 F 0.1632(6) 0.5334(3) 0.1156(4)
F3 F 0.3196(6) 0.53813(18) -0.0005(3)
F4 F 0.2412(7) 0.86386(17) 0.3541(4)
F5 F 0.0488(5) 0.8274(2) 0.4250(4)
F6 F 0.3019(5) 0.7919(2) 0.4418(3)
I2A I -0.37997(5) 0.677002(13) 0.36107(3)
Ag1B Ag 0.50606(7) 0.608220(17) 0.67124(4)
Ag2A Ag 0.13537(6) 0.146946(16) 0.29111(4)
Ag2B Ag 0.13537(6) 0.353054(16) -0.20889(4)
N1B N -0.2643(5) 0.67361(15) 0.0252(3)
N6B N 0.7078(6) 0.41756(16) 0.4817(3)
#END

data_CSD_CIF_EXENEB
_audit_creation_date 2011-10-03
_audit_creation_method CSD-ConQuest-V1
_database_code_CSD EXENEB
_database_code_depnum_ccdc_archive 'CCDC 710345'
_chemical_formula_sum 'C54 H84 Ag6 Br6 F18 N18 O24 S6'
_chemical_formula_moiety
;
C24 H24 Ag6 Br6 N18 6+,6(C1 F3 O3 S1 1-),6(C4 H10 O1)
;
_journal_coden_Cambridge 580
_journal_volume 30
_journal_year 2011
_journal_page_first 2260
_journal_name_full 'Polyhedron '
loop_
_publ_author_name
"Chia-Jun Wu"
"Chih-Yuan Lin"
"Pei-Chi Cheng"
"Chun-Wei Yeh"
"Jhy-Der Chen"
"Ju-Chun Wang"
_chemical_name_systematic
;
cyclo-hexakis(μ₂-2-amino-5-bromopyrimidine)-hexa-silver 
hexakis(trifluoromethanesulfonate) diethyl ether solvate
;
_cell_volume   8287.322
_exptl_crystal_colour 'colorless'
_exptl_crystal_density_diffrn 1.822
_exptl_special_details
;
Published unit-cell dimensions differ than those published

;
_exptl_crystal_description 'block'
_diffrn_ambient_temperature 295
#These two values have been output from a single CSD field.
_refine_ls_R_factor_gt 0.0731
_refine_ls_wR_factor_gt 0.0731
_symmetry_cell_setting rhombohedral
_symmetry_space_group_name_H-M 'R -3'
_symmetry_Int_Tables_number 148
loop_
_symmetry_equiv_pos_site_id
_symmetry_equiv_pos_as_xyz
1 x,y,z
2 -y,x-y,z
3 -x+y,-x,z
4 2/3+x,1/3+y,1/3+z
5 2/3-y,1/3+x-y,1/3+z
6 2/3-x+y,1/3-x,1/3+z
7 1/3+x,2/3+y,2/3+z
8 1/3-y,2/3+x-y,2/3+z
9 1/3-x+y,2/3-x,2/3+z
10 -x,-y,-z
11 y,-x+y,-z
12 x-y,x,-z
13 -2/3-x,-1/3-y,-1/3-z
14 -2/3+y,-1/3-x+y,-1/3-z
15 -2/3+x-y,-1/3+x,-1/3-z
16 -1/3-x,-2/3-y,-2/3-z
17 -1/3+y,-2/3-x+y,-2/3-z
18 -1/3+x-y,-2/3+x,-2/3-z
_cell_length_a 26.867(3)
_cell_length_b 26.867(3)
_cell_length_c 13.257(2)
_cell_angle_alpha 90
_cell_angle_beta 90
_cell_angle_gamma 120
_cell_formula_units_Z 3
loop_
_atom_type_symbol
_atom_type_radius_bond
C 0.68
H 0.23
Ag 1.45
Br 1.21
F 0.64
N 0.68
O 0.68
S 0.99
loop_
_atom_site_label
_atom_site_type_symbol
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
Ag1 Ag 0.53824(3) 0.47050(3) -0.13328(6)
Br1 Br 0.33876(5) 0.36179(6) -0.39519(10)
N1 N 0.6249(3) 0.5447(3) -0.1141(5)
N2 N 0.6652(3) 0.5149(3) -0.2351(6)
H1 H 0.63160 0.48600 -0.24680
H2 H 0.69440 0.51900 -0.26880
N3 N 0.4616(3) 0.3922(3) -0.1851(5)
C1 C 0.6719(3) 0.5529(3) -0.1653(6)
C2 C 0.4279(3) 0.3971(4) -0.2531(7)
H3 H 0.43290 0.43340 -0.26590
C3 C 0.3868(4) 0.3518(4) -0.3041(6)
C4 C 0.6330(4) 0.5846(4) -0.0469(7)
H4 H 0.60150 0.58020 -0.01020
S1 S 0.47715(16) 0.56291(15) -0.1209(3)
F1 F 0.4731(11) 0.5649(13) -0.3034(11)
F2 F 0.3945(7) 0.5354(18) -0.2302(19)
F3 F 0.4618(10) 0.6287(9) -0.2360(17)
O1 O 0.4693(7) 0.5115(6) -0.1086(13)
O2 O 0.4457(4) 0.5754(4) -0.0407(6)
O3 O 0.5383(4) 0.6096(6) -0.1192(12)
O4 O 0.5674(1) 0.43367(14) -0.3549(8)
C5 C 0.4457(17) 0.5787(16) -0.2298(16)
C6 C 0.58774(19) 0.3574(3) -0.3024(19)
H5 H 0.58090 0.32080 -0.32650
H6 H 0.57090 0.35280 -0.23680
H7 H 0.62840 0.38350 -0.29840
C7 C 0.55991(16) 0.3821(2) -0.3774(19)
H8 H 0.57560 0.38400 -0.44410
H9 H 0.51890 0.35510 -0.38060
C8 C 0.5547(8) 0.4672(6) -0.4325(17)
H10 H 0.57920 0.47380 -0.49060
H11 H 0.51520 0.44360 -0.45460
C9 C 0.5623(7) 0.5202(5) -0.400(4)
H12 H 0.55140 0.53700 -0.45360
H13 H 0.60200 0.54530 -0.38360
H14 H 0.53890 0.51450 -0.34220
Ag1M Ag 0.803833(30) 0.598927(30) -0.200053(60)
Ag1B Ag 0.93226(3) 0.46176(3) -0.13328(6)
Ag1L Ag 0.795093(30) 0.196167(30) -0.200053(60)
Ag1A Ag 0.52950(3) 0.06774(3) -0.13328(6)
Ag1N Ag 0.401073(30) 0.204907(30) -0.200053(60)
Br1N Br 0.310303(50) 0.005427(60) 0.061857(100)
Br1A Br 0.63821(5) -0.02303(6) -0.39519(10)
Br1L Br 0.994573(50) 0.304877(60) 0.061857(100)
Br1B Br 1.02303(5) 0.66124(6) -0.39519(10)
Br1M Br 0.695123(50) 0.689697(60) 0.061857(100)
N1M N 0.878033(300) 0.586467(300) -0.219233(500)
N1B N 0.9198(3) 0.3751(3) -0.1141(5)
N1L N 0.708433(300) 0.121967(300) -0.219233(500)
N1A N 0.4553(3) 0.0802(3) -0.1141(5)
N1N N 0.413533(300) 0.291567(300) -0.219233(500)
N2M N 0.848233(300) 0.516367(300) -0.098233(600)
N2B N 0.8497(3) 0.3348(3) -0.2351(6)
N2L N 0.668133(300) 0.151767(300) -0.098233(600)
N2A N 0.4851(3) 0.1503(3) -0.2351(6)
N2N N 0.483633(300) 0.331867(300) -0.098233(600)
H1M H 0.81933 0.52107 -0.08653
H1B H 0.85440 0.36840 -0.24680
H1L H 0.70173 0.18067 -0.08653
H1A H 0.51400 0.14560 -0.24680
H1N H 0.47893 0.29827 -0.08653
H2M H 0.85233 0.49127 -0.06453
H2B H 0.82460 0.30560 -0.26880
H2L H 0.63893 0.14767 -0.06453
H2A H 0.48100 0.17540 -0.26880
H2N H 0.50873 0.36107 -0.06453
N3M N 0.725533(300) 0.597267(300) -0.148233(500)
N3B N 0.9306(3) 0.5384(3) -0.1851(5)
N3L N 0.871733(300) 0.274467(300) -0.148233(500)
N3A N 0.6078(3) 0.0694(3) -0.1851(5)
N3N N 0.402733(300) 0.128267(300) -0.148233(500)
C1M C 0.886233(300) 0.547667(300) -0.168033(600)
C1B C 0.8810(3) 0.3281(3) -0.1653(6)
C1L C 0.661433(300) 0.113767(300) -0.168033(600)
C1A C 0.4471(3) 0.1190(3) -0.1653(6)
C1N C 0.452333(300) 0.338567(300) -0.168033(600)
C2N C 0.364133(300) 0.094567(400) -0.080233(700)
C2A C 0.6029(3) 0.0308(4) -0.2531(7)
C2L C 0.905433(300) 0.269567(400) -0.080233(700)
C2B C 0.9692(3) 0.5721(4) -0.2531(7)
C2M C 0.730433(300) 0.635867(400) -0.080233(700)
H3N H 0.33283 0.09957 -0.06743
H3A H 0.56660 -0.00050 -0.26590
H3L H 0.90043 0.23327 -0.06743
H3B H 1.00050 0.56710 -0.26590
H3M H 0.76673 0.66717 -0.06743
C3N C 0.368333(400) 0.053467(400) -0.029233(600)
C3A C 0.6482(4) 0.0350(4) -0.3041(6)
C3L C 0.946533(400) 0.314867(400) -0.029233(600)
C3B C 0.9650(4) 0.6132(4) -0.3041(6)
C3M C 0.685133(400) 0.631667(400) -0.029233(600)
C4N C 0.381733(400) 0.299667(400) -0.286433(700)
C4A C 0.4154(4) 0.0484(4) -0.0469(7)
C4L C 0.700333(400) 0.082067(400) -0.286433(700)
C4B C 0.9516(4) 0.3670(4) -0.0469(7)
C4M C 0.917933(400) 0.618267(400) -0.286433(700)
H4N H 0.35463 0.26817 -0.32313
H4A H 0.41980 0.02130 -0.01020
H4L H 0.73183 0.08647 -0.32313
H4B H 0.97870 0.39850 -0.01020
H4M H 0.91353 0.64537 -0.32313
#END

data_CSD_CIF_GUKQIN
_audit_creation_date 2010-04-15
_audit_creation_method CSD-ConQuest-V1
_database_code_CSD GUKQIN
_database_code_depnum_ccdc_archive 'CCDC 714482'
_chemical_formula_sum 'C17 H13 Ag3 N6 O6'
_chemical_formula_moiety
;
(C17 H13 Ag3 N6 O6)n
;
_journal_coden_Cambridge 1295
_journal_volume 12
_journal_year 2009
_journal_page_first 436
_journal_name_full 'Inorg.Chem.Commun. '
loop_
_publ_author_name
"Geng-Geng Luo"
"Di Sun"
"Qin-Juan Xu"
"Na Zhang"
"Rong-Bin Huang"
"Li-Rong Lin"
"Lan-Sun Zheng"
_chemical_name_systematic
;
catena-((μ₅-Benzene-1,3,5-tricarboxylato)-bis(μ₂-2-aminopyrimidine)-tri-
silver(i))
;
_cell_volume    934.909
_exptl_crystal_colour 'colorless'
_exptl_crystal_density_diffrn 2.561
_exptl_special_details
;
photoluminescent

;
_exptl_crystal_description 'plate'
_diffrn_ambient_temperature 173
#These two values have been output from a single CSD field.
_refine_ls_R_factor_gt 0.068
_refine_ls_wR_factor_gt 0.068
_symmetry_cell_setting triclinic
_symmetry_space_group_name_H-M 'P -1'
_symmetry_Int_Tables_number 2
loop_
_symmetry_equiv_pos_site_id
_symmetry_equiv_pos_as_xyz
1 x,y,z
2 -x,-y,-z
_cell_length_a 7.2552(3)
_cell_length_b 9.6285(3)
_cell_length_c 13.7303(8)
_cell_angle_alpha 96.583(4)
_cell_angle_beta 100.335(4)
_cell_angle_gamma 92.878(3)
_cell_formula_units_Z 2
loop_
_atom_type_symbol
_atom_type_radius_bond
C 0.68
H 0.23
Ag 1.26
N 0.74
O 0.76
loop_
_atom_site_label
_atom_site_type_symbol
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
C1 C 0.624(2) 0.9654(15) 0.7083(11)
H1 H 0.68740 1.05570 0.72830
C2 C 1.0317(18) 2.0903(14) 0.620(1)
H2 H 0.92050 2.03800 0.58470
C3 C 0.507(2) 0.9393(15) 0.6166(11)
H3 H 0.48510 1.01020 0.57400
C4 C 1.0485(18) 1.2511(13) 0.9245(10)
C5 C 1.1654(17) 1.6237(13) 0.8774(10)
C6 C 1.0619(17) 1.6235(13) 0.7813(10)
H4 H 1.06520 1.70550 0.74900
C7 C 0.9534(17) 1.3874(13) 0.7821(10)
H5 H 0.87930 1.30510 0.75020
C8 C 1.1684(17) 1.5051(14) 0.9237(10)
H6 H 1.24640 1.50510 0.98720
C9 C 1.1095(18) 2.1984(13) 0.5819(10)
H7 H 1.05020 2.21990 0.51840
C10 C 1.0610(17) 1.3877(13) 0.8797(10)
C11 C 1.2792(18) 1.7568(13) 0.9297(10)
C12 C 0.557(2) 0.7424(14) 0.7393(10)
C13 C 1.1204(19) 2.0590(14) 0.7121(10)
H8 H 1.06920 1.98410 0.74060
C14 C 0.8305(19) 1.5052(14) 0.6332(10)
C15 C 1.3452(18) 2.2397(13) 0.7186(10)
C16 C 0.422(2) 0.8040(15) 0.5890(11)
H9 H 0.34300 0.78190 0.52540
C17 C 0.9548(17) 1.5048(13) 0.7331(10)
O1 O 1.2495(15) 1.8645(9) 0.8904(8)
O2 O 0.9274(14) 1.1584(10) 0.8810(8)
O3 O 1.1634(14) 1.2453(10) 1.0046(7)
O4 O 0.6981(13) 1.4101(9) 0.6061(7)
O5 O 0.8585(16) 1.5969(12) 0.5830(8)
O6 O 1.3926(14) 1.7499(10) 1.0080(7)
N1 N 0.5750(17) 0.6487(11) 0.8041(9)
H10 H 0.64520 0.66980 0.86200
H11 H 0.51650 0.56710 0.78800
N2 N 1.2644(16) 2.2759(12) 0.6286(9)
N3 N 0.6516(15) 0.8681(11) 0.7699(9)
N4 N 1.5107(16) 2.3119(12) 0.7646(9)
H12 H 1.57080 2.28940 0.81980
H13 H 1.55480 2.38000 0.73820
N5 N 0.4480(17) 0.7048(13) 0.6489(9)
N6 N 1.2787(16) 2.1337(11) 0.7619(8)
Ag1 Ag 0.85359(17) 0.94813(11) 0.92202(8)
Ag2 Ag 1.41610(15) 2.06935(10) 0.92066(8)
Ag3 Ag 0.64976(18) 1.51690(12) 0.42631(9)
O3A O 0.8366(14) 0.7547(10) 0.9954(7)
O6A O 1.6074(14) 2.2501(10) 0.9920(7)
N2A N 0.7356(16) 1.7241(12) 0.3714(9)
N5A N 0.5520(17) 1.2952(13) 0.3511(9)
Ag1A Ag 1.14641(17) 1.05187(11) 1.07798(8)
Ag2A Ag 1.58390(15) 1.93065(10) 1.07934(8)
Ag3A Ag 1.35024(18) 2.48310(12) 0.57369(9)
Ag3A* Ag 0.35024(18) 0.48310(12) 0.57369(9)
#END

data_CSD_CIF_GUPXEV
_audit_creation_date 2010-09-24
_audit_creation_method CSD-ConQuest-V1
_database_code_CSD GUPXEV
_database_code_depnum_ccdc_archive 'CCDC 749038'
_chemical_formula_sum 'C28 H25 Ag4 N11 O14'
_chemical_formula_moiety
;
(C28 H21 Ag4 N11 O12)n,2n(H2 O1)
;
_journal_coden_Cambridge 119
_journal_volume 967
_journal_year 2010
_journal_page_first 147
_journal_name_full 'J.Mol.Struct. '
loop_
_publ_author_name
"Di Sun"
"Geng-Geng Luo"
"Na Zhang"
"Zhan-Hua Wei"
"Cheng-Feng Yang"
"Qin-Juan Xu"
"Rong-Bin Huang"
"Lan-Sun Zheng"
_chemical_name_systematic
;
catena-(tris(μ₂-2-Aminopyrimidine-N,N')-bis(μ₂-5-nitroisophthalato-O,O')
-tetra-silver dihydrate)
;
_cell_volume   3358.587
_exptl_crystal_colour 'colorless'
_exptl_crystal_density_diffrn 2.314
_exptl_crystal_description 'block'
_diffrn_ambient_temperature 273
#These two values have been output from a single CSD field.
_refine_ls_R_factor_gt 0.0568
_refine_ls_wR_factor_gt 0.0568
_symmetry_cell_setting monoclinic
_symmetry_space_group_name_H-M 'C 2/c'
_symmetry_Int_Tables_number 15
loop_
_symmetry_equiv_pos_site_id
_symmetry_equiv_pos_as_xyz
1 x,y,z
2 -x,y,1/2-z
3 1/2+x,1/2+y,z
4 1/2-x,1/2+y,1/2-z
5 -x,-y,-z
6 x,-y,-1/2+z
7 -1/2-x,-1/2-y,-z
8 -1/2+x,-1/2-y,-1/2+z
_cell_length_a 37.176(11)
_cell_length_b 13.881(4)
_cell_length_c 6.5301(17)
_cell_angle_alpha 90
_cell_angle_beta 94.674(9)
_cell_angle_gamma 90
_cell_formula_units_Z 4
loop_
_atom_type_symbol
_atom_type_radius_bond
C 0.68
H 0.23
Ag 1.45
N 0.68
O 0.68
loop_
_atom_site_label
_atom_site_type_symbol
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
Ag1 Ag 0.082080(13) 0.02580(4) 0.65124(10)
Ag2 Ag 0.250690(13) 0.04437(4) 0.50730(9)
C1 C 0.36214(16) -0.1952(5) 0.358(1)
H1 H 0.34710 -0.24660 0.38310
C2 C 0.39757(15) -0.2136(5) 0.3174(9)
C3 C 0.41968(15) -0.1382(5) 0.2834(9)
H2 H 0.44340 -0.14850 0.25400
C4 C 0.40605(18) -0.0461(5) 0.2934(11)
C5 C 0.37191(18) -0.0268(5) 0.3342(10)
H3 H 0.36400 0.03640 0.34350
C6 C 0.34878(15) -0.1030(5) 0.3621(9)
C7 C 0.31024(16) -0.0824(5) 0.3955(10)
C8 C 0.41134(15) -0.3147(5) 0.3105(10)
C9 C 0.17002(16) 0.0588(5) 0.6010(9)
C10 C 0.13898(18) 0.1972(5) 0.6387(11)
H4 H 0.11730 0.22950 0.65070
C11 C 0.1700(2) 0.2502(5) 0.6419(14)
H5 H 0.16990 0.31670 0.65940
C12 C 0.20098(18) 0.2011(5) 0.6183(11)
H6 H 0.22260 0.23510 0.61920
C13 C 0.00000 0.0470(6) 0.75000
C14 C 0.03050(18) 0.1877(5) 0.7346(12)
H7 H 0.05200 0.22080 0.72380
C15 C 0.00000 0.2398(7) 0.75000
H8 H 0.00000 0.30680 0.75000
N1 N 0.13820(13) 0.1024(4) 0.6196(8)
N2 N 0.20144(14) 0.1055(4) 0.5940(9)
N3 N 0.17031(15) -0.0363(4) 0.5867(9)
H9 H 0.19030 -0.06610 0.57310
H10 H 0.15060 -0.06830 0.59100
N4 N 0.03144(13) 0.0923(4) 0.7342(9)
N5 N 0.00000 -0.0484(5) 0.75000
H11 H -0.02070 -0.08090 0.75990
N6 N 0.43025(16) 0.0366(4) 0.2672(10)
O1 O 0.76758(14) -0.1591(4) -0.1442(8)
H12 H 0.76530 -0.21500 -0.19650
H13 H 0.74720 -0.14070 -0.10830
O2 O 0.30277(13) 0.0036(4) 0.4318(9)
O3 O 0.28845(12) -0.1497(4) 0.3864(9)
O4 O 0.39575(12) -0.3770(4) 0.4086(9)
O5 O 0.43694(14) -0.3299(4) 0.2045(9)
O6 O 0.45995(14) 0.0210(4) 0.2058(11)
O7 O 0.41921(15) 0.1173(4) 0.2980(9)
Ag1A Ag -0.082080(13) 0.02580(4) 0.84876(10)
Ag1F Ag 0.417920(13) -0.52580(4) 0.34876(10)
Ag1G Ag -0.417920(13) -0.52580(4) 1.15124(10)
Ag2A Ag -0.250690(13) 0.04437(4) 0.99270(9)
C1A C -0.36214(16) -0.1952(5) 1.142(1)
H1A H -0.34710 -0.24660 1.11690
C2A C -0.39757(15) -0.2136(5) 1.1826(9)
C3A C -0.41968(15) -0.1382(5) 1.2166(9)
H2A H -0.44340 -0.14850 1.24600
C4A C -0.40605(18) -0.0461(5) 1.2066(11)
C5A C -0.37191(18) -0.0268(5) 1.1658(10)
H3A H -0.36400 0.03640 1.15650
C6A C -0.34878(15) -0.1030(5) 1.1379(9)
C7A C -0.31024(16) -0.0824(5) 1.1045(10)
C8A C -0.41134(15) -0.3147(5) 1.1895(10)
C9A C -0.17002(16) 0.0588(5) 0.8990(9)
C10A C -0.13898(18) 0.1972(5) 0.8613(11)
H4A H -0.11730 0.22950 0.84930
C11A C -0.1700(2) 0.2502(5) 0.8581(14)
H5A H -0.16990 0.31670 0.84060
C12A C -0.20098(18) 0.2011(5) 0.8817(11)
H6A H -0.22260 0.23510 0.88080
C14A C -0.03050(18) 0.1877(5) 0.7654(12)
H7A H -0.05200 0.22080 0.77620
N1A N -0.13820(13) 0.1024(4) 0.8804(8)
N2A N -0.20144(14) 0.1055(4) 0.9060(9)
N3A N -0.17031(15) -0.0363(4) 0.9133(9)
H9A H -0.19030 -0.06610 0.92690
H10A H -0.15060 -0.06830 0.90900
N4A N -0.03144(13) 0.0923(4) 0.7658(9)
H11A H 0.02070 -0.08090 0.74010
N6A N -0.43025(16) 0.0366(4) 1.2328(10)
O2A O -0.30277(13) 0.0036(4) 1.0682(9)
O3A O -0.28845(12) -0.1497(4) 1.1136(9)
O4F O 0.10425(12) -0.1230(4) 0.5914(9)
O4G O -0.10425(12) -0.1230(4) 0.9086(9)
O4A O -0.39575(12) -0.3770(4) 1.0914(9)
O5A O -0.43694(14) -0.3299(4) 1.2955(9)
O6A O -0.45995(14) 0.0210(4) 1.2942(11)
O7A O -0.41921(15) 0.1173(4) 1.2020(9)
#END

data_CSD_CIF_GUPXIZ
_audit_creation_date 2010-09-24
_audit_creation_method CSD-ConQuest-V1
_database_code_CSD GUPXIZ
_database_code_depnum_ccdc_archive 'CCDC 749039'
_chemical_formula_sum 'C20 H21 Ag2 N7 O6'
_chemical_formula_moiety
;
(C20 H21 Ag2 N7 O6)n
;
_journal_coden_Cambridge 119
_journal_volume 967
_journal_year 2010
_journal_page_first 147
_journal_name_full 'J.Mol.Struct. '
loop_
_publ_author_name
"Di Sun"
"Geng-Geng Luo"
"Na Zhang"
"Zhan-Hua Wei"
"Cheng-Feng Yang"
"Qin-Juan Xu"
"Rong-Bin Huang"
"Lan-Sun Zheng"
_chemical_name_systematic
;
catena-((μ₄-5-Nitroisophthalato)-(μ₂-2-amino-4,6-dimethylpyrimidine)-(2-
amino-4,6-dimethylpyrimidine)-di-silver)
;
_cell_volume   2287.119
_exptl_crystal_colour 'colorless'
_exptl_crystal_density_diffrn 1.949
_exptl_crystal_description 'block'
_diffrn_ambient_temperature 273
#These two values have been output from a single CSD field.
_refine_ls_R_factor_gt 0.0449
_refine_ls_wR_factor_gt 0.0449
_symmetry_cell_setting monoclinic
_symmetry_space_group_name_H-M 'P 21/c'
_symmetry_Int_Tables_number 14
loop_
_symmetry_equiv_pos_site_id
_symmetry_equiv_pos_as_xyz
1 x,y,z
2 -x,1/2+y,1/2-z
3 -x,-y,-z
4 x,-1/2-y,-1/2+z
_cell_length_a 17.064(4)
_cell_length_b 7.7914(19)
_cell_length_c 17.635(4)
_cell_angle_alpha 90
_cell_angle_beta 102.715(5)
_cell_angle_gamma 90
_cell_formula_units_Z 4
loop_
_atom_type_symbol
_atom_type_radius_bond
C 0.68
H 0.23
Ag 1.56
N 0.68
O 0.81
loop_
_atom_site_label
_atom_site_type_symbol
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
Ag1 Ag 0.53324(2) 0.29983(5) 0.40617(2)
Ag2 Ag 0.25862(2) 0.65705(5) 0.51390(2)
C1 C 0.1805(3) 0.9657(6) 0.5851(2)
C2 C 0.1068(3) 0.7174(7) 0.5769(3)
C3 C 0.0461(3) 0.8061(8) 0.5993(4)
H1 H 0.00000 0.75040 0.60650
C4 C 0.0558(3) 0.9816(8) 0.6108(3)
C5 C 0.1016(3) 0.5264(8) 0.5617(4)
H2 H 0.14840 0.47120 0.59210
H3 H 0.09880 0.50540 0.50750
H4 H 0.05440 0.48140 0.57570
C6 C -0.0109(3) 1.0913(9) 0.6294(4)
H5 H 0.01000 1.20250 0.64660
H6 H -0.03180 1.03740 0.66970
H7 H -0.05300 1.10350 0.58370
C7 C 0.3713(2) 0.4560(5) 0.4289(2)
C8 C 0.3824(2) 0.4775(6) 0.3012(2)
C9 C 0.3095(3) 0.5610(6) 0.2836(3)
H8 H 0.28710 0.59420 0.23280
C10 C 0.2704(2) 0.5947(6) 0.3422(3)
C11 C 0.4299(3) 0.4462(8) 0.2409(3)
H9 H 0.44770 0.32900 0.24380
H10 H 0.47570 0.52120 0.24990
H11 H 0.39690 0.46830 0.19030
C12 C 0.1919(3) 0.6878(6) 0.3265(3)
H12 H 0.15560 0.63060 0.35270
H13 H 0.16940 0.68900 0.27160
H14 H 0.20020 0.80360 0.34520
C13 C 0.6346(2) 0.0339(5) 0.6829(2)
H15 H 0.59060 0.09830 0.68910
C14 C 0.6850(2) -0.0379(5) 0.7482(2)
C15 C 0.7504(3) -0.1353(6) 0.7395(3)
H16 H 0.78410 -0.18650 0.78210
C16 C 0.7640(3) -0.1540(5) 0.6657(3)
C17 C 0.7144(2) -0.0839(5) 0.6005(2)
H17 H 0.72500 -0.10070 0.55150
C18 C 0.6484(2) 0.0120(5) 0.6092(2)
C19 C 0.5962(2) 0.1050(6) 0.5414(3)
C20 C 0.6701(2) 0.0000(6) 0.8281(3)
N1 N 0.2491(2) 1.0452(5) 0.5828(2)
H18 H 0.28800 0.98880 0.57090
H19 H 0.25450 1.15290 0.59330
N2 N 0.1225(2) 1.0625(6) 0.6056(2)
N3 N 0.1741(2) 0.7967(5) 0.5685(2)
N4 N 0.4003(2) 0.4015(5) 0.5012(2)
H20 H 0.44490 0.34600 0.51220
H21 H 0.37440 0.42190 0.53690
N5 N 0.3015(2) 0.5461(5) 0.4155(2)
N6 N 0.4137(2) 0.4216(5) 0.3743(2)
N7 N 0.8352(2) -0.2478(5) 0.6554(2)
O1 O 0.53685(19) 0.1812(5) 0.55346(19)
O2 O 0.62003(18) 0.1067(4) 0.47823(17)
O3 O 0.6293(2) 0.1324(5) 0.8334(2)
O4 O 0.7011(2) -0.0962(5) 0.88281(18)
O5 O 0.8841(2) -0.2923(6) 0.7127(2)
O6 O 0.8429(2) -0.2780(6) 0.5895(2)
Ag1C Ag 0.53324(2) 0.20017(5) 0.90617(2)
Ag2B Ag 0.74138(2) 0.34295(5) 0.48610(2)
Ag2A Ag 0.74138(2) 0.15705(5) 0.98610(2)
O2B O 0.37997(18) 0.8933(4) 0.52177(17)
O3C O 0.6293(2) 0.3676(5) 0.3334(2)
O4A O 0.2989(2) 0.4038(5) 0.61719(18)
#END

data_CSD_CIF_HAYWUB
_audit_creation_date 2013-01-17
_audit_creation_method CSD-ConQuest-V1
_database_code_CSD HAYWUB
_database_code_depnum_ccdc_archive 'CCDC 662480'
_chemical_formula_sum 'C12 H16 Ag2 Cl2 N8 O4'
_chemical_formula_moiety
;
(C12 H16 Ag2 Cl2 N8 O4)n
;
_journal_coden_Cambridge 1634
_journal_year 2009
_journal_name_full 'Des. and Construct. of Coord. Poly. '
loop_
_publ_author_name
"G.Meyer"
"M.Sehabi"
"I.Pantenburg"
_chemical_name_systematic
;
catena-[bis(μ₂-Acetato-O,O')-bis(μ₂-6-chloropyrimidine-2,4-diamine)-di-s
ilver(i)]
;
_cell_volume   4337.545
_exptl_crystal_density_diffrn 1.908
_exptl_special_details
;
contribution from Design and Construction of Coordination Polymers, (eds. 
L.Chen, M.Hong) J.Wiley & Sons, Hoboken USA
;
_diffrn_ambient_temperature 293
#These two values have been output from a single CSD field.
_refine_ls_R_factor_gt 0.0434
_refine_ls_wR_factor_gt 0.0434
_symmetry_cell_setting tetragonal
_symmetry_space_group_name_H-M 'P 4/n c c'
_symmetry_Int_Tables_number 130
loop_
_symmetry_equiv_pos_site_id
_symmetry_equiv_pos_as_xyz
1 x,y,z
2 1/2-x,1/2-y,z
3 1/2+x,-y,1/2-z
4 -x,1/2+y,1/2-z
5 -y,-x,1/2-z
6 1/2+y,1/2+x,1/2-z
7 y,1/2-x,z
8 1/2-y,x,z
9 -x,-y,-z
10 -1/2+x,-1/2+y,-z
11 -1/2-x,y,-1/2+z
12 x,-1/2-y,-1/2+z
13 y,x,-1/2+z
14 -1/2-y,-1/2-x,-1/2+z
15 -y,-1/2+x,-z
16 -1/2+y,-x,-z
_cell_length_a 19.1896(12)
_cell_length_b 19.1896(12)
_cell_length_c 11.7791(7)
_cell_angle_alpha 90
_cell_angle_beta 90
_cell_angle_gamma 90
_cell_formula_units_Z 8
loop_
_atom_type_symbol
_atom_type_radius_bond
C 0.68
H 0.23
Ag 1.51
Cl 0.99
N 0.77
O 0.84
loop_
_atom_site_label
_atom_site_type_symbol
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
Ag1 Ag 0.609538(18) 0.109538(18) 0.25000
Ag2 Ag 0.50888(2) 0.00888(2) -0.25000
Cl1 Cl 0.75336(6) 0.14145(8) 0.12337(12)
C1 C 0.7163(2) 0.0695(3) -0.0629(4)
H1 H 0.76290 0.06810 -0.08410
C2 C 0.6632(2) 0.0384(2) -0.1280(4)
C3 C 0.5798(2) 0.0805(2) -0.0068(3)
C4 C 0.6941(2) 0.1020(2) 0.0338(4)
C5 C 0.6956(3) -0.1000(3) 0.1164(7)
H2 H 0.66970 -0.12640 0.06150
H3 H 0.72120 -0.13120 0.16460
H4 H 0.72750 -0.06950 0.07790
C6 C 0.6458(2) -0.0572(2) 0.1876(4)
N1 N 0.59485(18) 0.04701(19) -0.1042(3)
N2 N 0.62757(17) 0.10540(17) 0.0671(3)
N3 N 0.6802(2) -0.0005(2) -0.2192(4)
H5 H 0.64800 -0.01890 -0.26010
H6 H 0.72330 -0.00680 -0.23650
N4 N 0.51296(18) 0.0897(2) 0.0200(3)
H7 H 0.48090 0.07440 -0.02440
H8 H 0.50190 0.11090 0.08180
O1 O 0.58238(16) -0.0629(2) 0.1635(3)
O2 O 0.66979(17) -0.01916(19) 0.2633(3)
Ag2H Ag 0.49112(2) -0.00888(2) 0.25000
Ag2* Ag 0.50888(2) 0.00888(2) 0.75000
Cl1E Cl 0.64145(6) 0.25336(8) 0.37663(12)
C1E C 0.5695(2) 0.2163(3) 0.5629(4)
H1E H 0.56810 0.26290 0.58410
C2E C 0.5384(2) 0.1632(2) 0.6280(4)
C3E C 0.5805(2) 0.0798(2) 0.5068(3)
C4E C 0.6020(2) 0.1941(2) 0.4662(4)
C5E C 0.4000(3) 0.1956(3) 0.3836(7)
H2E H 0.37360 0.16970 0.43850
H3E H 0.36880 0.22120 0.33540
H4E H 0.43050 0.22750 0.42210
C6E C 0.4428(2) 0.1458(2) 0.3124(4)
N1E N 0.54701(18) 0.09485(19) 0.6042(3)
N1E* N 0.54701(18) 0.09485(19) -0.3958(3)
N2E N 0.60540(17) 0.12757(17) 0.4329(3)
N3E N 0.4995(2) 0.1802(2) 0.7192(4)
H5E H 0.48110 0.14800 0.76010
H6E H 0.49320 0.22330 0.73650
N4E N 0.58970(18) 0.01296(20) 0.4800(3)
H7E H 0.57440 -0.01910 0.52440
H8E H 0.61090 0.00190 0.41820
O1E O 0.43710(16) 0.08238(20) 0.3365(3)
O1H O 0.41762(16) 0.0629(2) -0.1635(3)
O1M O 0.56290(16) -0.08238(20) -0.3365(3)
O2E O 0.48084(17) 0.16979(19) 0.2367(3)
#END

data_CSD_CIF_HAYXAI
_audit_creation_date 2013-01-17
_audit_creation_method CSD-ConQuest-V1
_database_code_CSD HAYXAI
_database_code_depnum_ccdc_archive 'CCDC 662481'
_chemical_formula_sum 'C12 H10 Ag2 Cl2 F6 N8 O4'
_chemical_formula_moiety
;
(C12 H10 Ag2 Cl2 F6 N8 O4)n
;
_journal_coden_Cambridge 1634
_journal_year 2009
_journal_name_full 'Des. and Construct. of Coord. Poly. '
loop_
_publ_author_name
"G.Meyer"
"M.Sehabi"
"I.Pantenburg"
_chemical_name_systematic
;
catena-[bis(μ₂-6-Chloropyrimidine-2,4-diamine)-bis(μ₂-trifluoroacetato-O
,O')-di-silver(i)]
;
_cell_volume   4507.110
_exptl_crystal_density_diffrn 2.154
_exptl_special_details
;
contribution from Design and Construction of Coordination Polymers, (eds. 
L.Chen, M.Hong) J.Wiley & Sons, Hoboken USA
;
_diffrn_ambient_temperature 293
#These two values have been output from a single CSD field.
_refine_ls_R_factor_gt 0.053
_refine_ls_wR_factor_gt 0.053
_symmetry_cell_setting tetragonal
_symmetry_space_group_name_H-M 'P 4/n c c'
_symmetry_Int_Tables_number 130
loop_
_symmetry_equiv_pos_site_id
_symmetry_equiv_pos_as_xyz
1 x,y,z
2 1/2-x,1/2-y,z
3 1/2+x,-y,1/2-z
4 -x,1/2+y,1/2-z
5 -y,-x,1/2-z
6 1/2+y,1/2+x,1/2-z
7 y,1/2-x,z
8 1/2-y,x,z
9 -x,-y,-z
10 -1/2+x,-1/2+y,-z
11 -1/2-x,y,-1/2+z
12 x,-1/2-y,-1/2+z
13 y,x,-1/2+z
14 -1/2-y,-1/2-x,-1/2+z
15 -y,-1/2+x,-z
16 -1/2+y,-x,-z
_cell_length_a 19.6712(13)
_cell_length_b 19.6712(13)
_cell_length_c 11.6476(8)
_cell_angle_alpha 90
_cell_angle_beta 90
_cell_angle_gamma 90
_cell_formula_units_Z 8
loop_
_atom_type_symbol
_atom_type_radius_bond
C 0.68
H 0.23
Ag 1.54
Cl 0.99
F 0.64
N 0.68
O 0.81
loop_
_atom_site_label
_atom_site_type_symbol
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
Ag1 Ag 0.61160(2) 0.11160(2) -0.25000
Ag2 Ag 0.51137(3) 0.01137(3) 0.25000
Cl1 Cl 0.74924(8) 0.14365(10) -0.11826(14)
C1 C 0.7119(3) 0.0738(3) 0.0691(5)
H1 H 0.75710 0.07340 0.09270
C2 C 0.6601(3) 0.0428(3) 0.1327(5)
C3 C 0.5795(2) 0.0815(3) 0.0075(4)
C4 C 0.6914(2) 0.1043(3) -0.0294(5)
C5 C 0.6896(3) -0.0966(3) -0.1109(7)
C6 C 0.6435(3) -0.0511(3) -0.1838(5)
N1 N 0.5935(2) 0.0491(2) 0.1064(4)
N2 N 0.6267(2) 0.1072(2) -0.0645(4)
N3 N 0.6764(2) 0.0049(3) 0.2280(4)
H2 H 0.64480 -0.01370 0.26820
H3 H 0.71830 -0.00030 0.24740
N4 N 0.5145(2) 0.0886(3) -0.0213(4)
H4 H 0.48330 0.07270 0.02280
H5 H 0.50380 0.10910 -0.08390
O1 O 0.5822(2) -0.0575(2) -0.1630(4)
O2 O 0.6720(2) -0.0143(2) -0.2554(4)
F1 F 0.6613(3) -0.1136(4) -0.0129(6)
F2 F 0.7030(4) -0.1520(3) -0.1602(7)
F3 F 0.7472(2) -0.0674(3) -0.0850(5)
Ag2H Ag 0.48863(3) -0.01137(3) -0.25000
Ag2* Ag 0.51137(3) 0.01137(3) -0.75000
Cl1E Cl 0.64365(8) 0.24924(10) -0.38174(14)
C1E C 0.5738(3) 0.2119(3) -0.5691(5)
H1E H 0.57340 0.25710 -0.59270
C2E C 0.5428(3) 0.1601(3) -0.6327(5)
C3E C 0.5815(2) 0.0795(3) -0.5075(4)
C4E C 0.6043(2) 0.1914(3) -0.4706(5)
C5E C 0.4034(3) 0.1896(3) -0.3891(7)
C6E C 0.4489(3) 0.1435(3) -0.3162(5)
N1E N 0.5491(2) 0.0935(2) -0.6064(4)
N1E* N 0.5491(2) 0.0935(2) 0.3936(4)
N2E N 0.6072(2) 0.1267(2) -0.4355(4)
N3E N 0.5049(2) 0.1764(3) -0.7280(4)
H2E H 0.48630 0.14480 -0.76820
H3E H 0.49970 0.21830 -0.74740
N4E N 0.5886(2) 0.0145(3) -0.4787(4)
H4E H 0.57270 -0.01670 -0.52280
H5E H 0.60910 0.00380 -0.41610
O1E O 0.4425(2) 0.0822(2) -0.3370(4)
O1H O 0.4178(2) 0.0575(2) 0.1630(4)
O1M O 0.5575(2) -0.0822(2) 0.3370(4)
O2E O 0.4857(2) 0.1720(2) -0.2446(4)
F1E F 0.3864(3) 0.1613(4) -0.4871(6)
F2E F 0.3480(4) 0.2030(3) -0.3398(7)
F3E F 0.4326(2) 0.2472(3) -0.4150(5)
#END

data_CSD_CIF_HAYXEM
_audit_creation_date 2013-01-17
_audit_creation_method CSD-ConQuest-V1
_database_code_CSD HAYXEM
_database_code_depnum_ccdc_archive 'CCDC 662482'
_chemical_formula_sum 'C8 H10 Ag1 B1 Cl2 F4 N8'
_chemical_formula_moiety
;
(C8 H10 Ag1 Cl2 N8 1+)n,n(B1 F4 1-)
;
_journal_coden_Cambridge 1634
_journal_year 2009
_journal_name_full 'Des. and Construct. of Coord. Poly. '
loop_
_publ_author_name
"G.Meyer"
"M.Sehabi"
"I.Pantenburg"
_chemical_name_systematic
;
catena-[bis(μ₂-6-Chloropyrimidine-2,4-diamine)-silver(i) tetrafluoroborate]
;
_cell_volume    735.505
_exptl_crystal_density_diffrn 2.185
_exptl_special_details
;
contribution from Design and Construction of Coordination Polymers, (eds. 
L.Chen, M.Hong) J.Wiley & Sons, Hoboken USA
;
_diffrn_ambient_temperature 293
#These two values have been output from a single CSD field.
_refine_ls_R_factor_gt 0.0341
_refine_ls_wR_factor_gt 0.0341
_symmetry_cell_setting monoclinic
_symmetry_space_group_name_H-M 'P 2/c'
_symmetry_Int_Tables_number 13
loop_
_symmetry_equiv_pos_site_id
_symmetry_equiv_pos_as_xyz
1 x,y,z
2 -x,y,1/2-z
3 -x,-y,-z
4 x,-y,-1/2+z
_cell_length_a 8.4939(19)
_cell_length_b 4.8583(6)
_cell_length_c 19.594(4)
_cell_angle_alpha 90
_cell_angle_beta 114.544(18)
_cell_angle_gamma 90
_cell_formula_units_Z 2
loop_
_atom_type_symbol
_atom_type_radius_bond
C 0.68
H 0.23
Ag 1.45
B 0.83
Cl 0.99
F 0.64
N 0.68
loop_
_atom_site_label
_atom_site_type_symbol
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
Ag1 Ag 0.50000 0.86366(10) 0.25000
Cl1 Cl 0.85229(12) 0.9122(2) 0.39970(5)
C1 C 0.7726(5) 0.5504(8) 0.48441(19)
H1 H 0.86560 0.61770 0.52620
C2 C 0.6664(4) 0.3348(8) 0.48994(17)
C3 C 0.5067(4) 0.3550(8) 0.36320(17)
C4 C 0.7308(4) 0.6537(8) 0.41451(18)
B1 B 0.00000 1.6019(14) 0.25000
F1 F 0.0004(4) 1.4396(6) 0.19221(14)
F2 F 0.1478(3) 1.7643(6) 0.27762(14)
N1 N 0.5337(4) 0.2363(7) 0.42844(15)
N2 N 0.5970(4) 0.5630(6) 0.35204(15)
N3 N 0.6946(5) 0.2184(8) 0.55564(16)
H2 H 0.62950 0.08600 0.55760
H3 H 0.77800 0.27580 0.59600
N4 N 0.3771(4) 0.2435(7) 0.29968(16)
H4 H 0.31870 0.10450 0.30360
H5 H 0.35500 0.31320 0.25630
Ag1* Ag 0.50000 -0.13634(10) 0.25000
Cl1A Cl 0.14771(12) 0.9122(2) 0.10030(5)
C1A C 0.2274(5) 0.5504(8) 0.01559(19)
H1A H 0.13440 0.61770 -0.02620
C2A C 0.3336(4) 0.3348(8) 0.01006(17)
C3A C 0.4933(4) 0.3550(8) 0.13680(17)
C4A C 0.2692(4) 0.6537(8) 0.08549(18)
F1A F -0.0004(4) 1.4396(6) 0.30779(14)
F2A F -0.1478(3) 1.7643(6) 0.22238(14)
N1A N 0.4663(4) 0.2363(7) 0.07156(15)
N2A N 0.4030(4) 0.5630(6) 0.14796(15)
N3A N 0.3054(5) 0.2184(8) -0.05564(16)
H2A H 0.37050 0.08600 -0.05760
H3A H 0.22200 0.27580 -0.09600
N4A N 0.6229(4) 0.2435(7) 0.20032(16)
N4* N 0.3771(4) 1.2435(7) 0.29968(16)
N4A* N 0.6229(4) 1.2435(7) 0.20032(16)
H4A H 0.68130 0.10450 0.19640
H4* H 0.31870 1.10450 0.30360
H4A* H 0.68130 1.10450 0.19640
H5A H 0.64500 0.31320 0.24370
H5* H 0.35500 1.31320 0.25630
H5A* H 0.64500 1.31320 0.24370
#END

data_CSD_CIF_HAYXIQ
_audit_creation_date 2013-01-17
_audit_creation_method CSD-ConQuest-V1
_database_code_CSD HAYXIQ
_database_code_depnum_ccdc_archive 'CCDC 662483'
_chemical_formula_sum 'C8 H10 Ag1 Cl3 N8 O4'
_chemical_formula_moiety
;
(C8 H10 Ag1 Cl2 N8 1+)n,n(Cl1 O4 1-)
;
_journal_coden_Cambridge 1634
_journal_year 2009
_journal_name_full 'Des. and Construct. of Coord. Poly. '
loop_
_publ_author_name
"G.Meyer"
"M.Sehabi"
"I.Pantenburg"
_chemical_name_systematic
;
catena-[bis(μ₂-6-Chloropyrimidine-2,4-diamine)-silver(i) perchlorate]
;
_cell_volume    748.778
_exptl_crystal_density_diffrn 2.202
_exptl_special_details
;
contribution from Design and Construction of Coordination Polymers, (eds. 
L.Chen, M.Hong) J.Wiley & Sons, Hoboken USA
;
_diffrn_ambient_temperature 293
#These two values have been output from a single CSD field.
_refine_ls_R_factor_gt 0.0289
_refine_ls_wR_factor_gt 0.0289
_symmetry_cell_setting monoclinic
_symmetry_space_group_name_H-M 'P 2/c'
_symmetry_Int_Tables_number 13
loop_
_symmetry_equiv_pos_site_id
_symmetry_equiv_pos_as_xyz
1 x,y,z
2 -x,y,1/2-z
3 -x,-y,-z
4 x,-y,-1/2+z
_cell_length_a 8.5025(17)
_cell_length_b 4.8868(6)
_cell_length_c 19.709(4)
_cell_angle_alpha 90
_cell_angle_beta 113.885(17)
_cell_angle_gamma 90
_cell_formula_units_Z 2
loop_
_atom_type_symbol
_atom_type_radius_bond
C 0.68
H 0.23
Ag 1.45
Cl 0.99
N 0.68
O 0.68
loop_
_atom_site_label
_atom_site_type_symbol
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
Ag1 Ag 0.00000 -0.85115(7) -0.25000
Cl1 Cl 0.35126(8) -0.90827(15) -0.10086(4)
C1 C 0.2706(3) -0.5489(6) -0.01675(13)
H1 H 0.36130 -0.61880 0.02450
C2 C 0.1660(3) -0.3340(6) -0.01092(13)
C3 C 0.0098(3) -0.3497(5) -0.13663(13)
C4 C 0.2309(3) -0.6481(5) -0.08637(13)
N1 N 0.0350(3) -0.2331(5) -0.07186(11)
N2 N 0.1001(2) -0.5569(5) -0.14802(11)
N3 N 0.1923(3) -0.2185(6) 0.05436(12)
H2 H 0.12750 -0.08640 0.05630
H3 H 0.27390 -0.27640 0.09430
N4 N -0.1166(3) -0.2353(5) -0.19920(11)
H4 H -0.17400 -0.09620 -0.19500
H5 H -0.13770 -0.30320 -0.24230
Cl2 Cl 0.50000 -0.5894(2) -0.25000
O1 O 0.4995(3) -0.4219(6) -0.19036(13)
O2 O 0.6515(3) -0.7557(6) -0.22284(13)
Ag1* Ag 0.00000 0.14885(7) -0.25000
Cl1A Cl -0.35126(8) -0.90827(15) -0.39914(4)
C1A C -0.2706(3) -0.5489(6) -0.48325(13)
H1A H -0.36130 -0.61880 -0.52450
C2A C -0.1660(3) -0.3340(6) -0.48908(13)
C3A C -0.0098(3) -0.3497(5) -0.36337(13)
C4A C -0.2309(3) -0.6481(5) -0.41363(13)
N1A N -0.0350(3) -0.2331(5) -0.42814(11)
N2A N -0.1001(2) -0.5569(5) -0.35198(11)
N3A N -0.1923(3) -0.2185(6) -0.55436(12)
H2A H -0.12750 -0.08640 -0.55630
H3A H -0.27390 -0.27640 -0.59430
N4A N 0.1166(3) -0.2353(5) -0.30080(11)
N4* N -0.1166(3) -1.2353(5) -0.19920(11)
N4A* N 0.1166(3) -1.2353(5) -0.30080(11)
H4A H 0.17400 -0.09620 -0.30500
H4* H -0.17400 -1.09620 -0.19500
H4A* H 0.17400 -1.09620 -0.30500
H5A H 0.13770 -0.30320 -0.25770
H5* H -0.13770 -1.30320 -0.24230
H5A* H 0.13770 -1.30320 -0.25770
O1A O 0.5005(3) -0.4219(6) -0.30964(13)
O2A O 0.3485(3) -0.7557(6) -0.27716(13)
#END

data_CSD_CIF_HOGCEM
_audit_creation_date 2009-03-09
_audit_creation_method CSD-ConQuest-V1
_database_code_CSD HOGCEM
_database_code_depnum_ccdc_archive 'CCDC 665093'
_chemical_formula_sum 'C18 H27 Ag3 N12 O15'
_chemical_formula_moiety
;
(C18 H27 Ag3 N11 O12 1+)n,n(N1 O3 1-)
;
_journal_coden_Cambridge 580
_journal_volume 27
_journal_year 2008
_journal_page_first 3231
_journal_name_full 'Polyhedron '
loop_
_publ_author_name
"Geng-Geng Luo"
"Rong-Bin Huang"
"Na Zhang"
"Li-Rong Lin"
"Lan-Sun Zheng"
_chemical_name_systematic
;
catena-(tris(μ₂-2-Amino-4,6-dimethoxypyrimidine-N,N')-(μ₂-nitrato-O,O')-
(μ₂-nitrato-O,O)-tri-silver(i) nitrate)
;
_cell_volume   2913.442
_exptl_crystal_colour 'colorless'
_exptl_crystal_density_diffrn 2.223
_exptl_special_details
;
fluorescent

;
_diffrn_ambient_temperature 293
#These two values have been output from a single CSD field.
_refine_ls_R_factor_gt 0.0478
_refine_ls_wR_factor_gt 0.0478
_symmetry_cell_setting monoclinic
_symmetry_space_group_name_H-M 'P 21/c'
_symmetry_Int_Tables_number 14
loop_
_symmetry_equiv_pos_site_id
_symmetry_equiv_pos_as_xyz
1 x,y,z
2 -x,1/2+y,1/2-z
3 -x,-y,-z
4 x,-1/2-y,-1/2+z
_cell_length_a 11.3311(2)
_cell_length_b 12.3445(3)
_cell_length_c 20.9588(6)
_cell_angle_alpha 90
_cell_angle_beta 96.389(2)
_cell_angle_gamma 90
_cell_formula_units_Z 4
loop_
_atom_type_symbol
_atom_type_radius_bond
C 0.68
H 0.23
Ag 1.59
N 0.68
O 0.68
loop_
_atom_site_label
_atom_site_type_symbol
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
Ag1 Ag 0.29288(4) -1.14595(4) 0.08811(3)
Ag2 Ag 0.14418(5) -0.64877(4) 0.09053(3)
Ag3 Ag 0.57924(5) -1.19491(4) 0.25404(3)
C1 C 0.2476(6) -0.8919(5) 0.0794(3)
C2 C 0.4435(6) -0.9386(5) 0.0799(3)
C3 C 0.3859(5) -0.7574(5) 0.0784(3)
C4 C 0.4777(5) -0.8315(5) 0.0778(3)
H1 H 0.55620 -0.81070 0.07600
C5 C 0.5239(5) -0.6120(6) 0.0735(3)
H2 H 0.52540 -0.53420 0.07410
H3 H 0.55000 -0.63750 0.03420
H4 H 0.57580 -0.63940 0.10920
C6 C -0.0799(7) -1.1127(6) 0.1057(4)
H5 H -0.07930 -1.03670 0.11560
H6 H -0.12370 -1.15090 0.13530
H7 H -0.11680 -1.12380 0.06280
C7 C 0.0548(6) -1.2576(5) 0.0992(3)
C8 C -0.2039(6) -1.4977(6) 0.0683(4)
H8 H -0.24750 -1.56400 0.06060
H9 H -0.22840 -1.44680 0.03480
H10 H -0.21920 -1.46800 0.10890
C9 C -0.0367(6) -1.3312(5) 0.0878(3)
H11 H -0.11600 -1.31040 0.08570
C10 C -0.0040(6) -1.4362(5) 0.0795(3)
C11 C 0.1949(6) -1.3916(5) 0.0913(3)
C12 C 0.9294(5) -1.3507(6) 0.2675(4)
H12 H 0.97590 -1.28600 0.27550
H13 H 0.93930 -1.37790 0.22550
H14 H 0.95550 -1.40430 0.29910
C13 C 0.7283(5) -1.4055(5) 0.2614(3)
C14 C 0.5341(5) -1.4531(5) 0.2559(3)
C15 C 0.7980(5) -1.7283(6) 0.2210(4)
H15 H 0.79600 -1.80480 0.21260
H16 H 0.85020 -1.71400 0.25930
H17 H 0.82610 -1.69100 0.18540
C16 C 0.6672(6) -1.5844(5) 0.2417(3)
C17 C 0.7606(5) -1.5139(5) 0.2497(3)
H18 H 0.83880 -1.53530 0.24770
C18 C 0.6413(6) -1.0009(6) 0.0798(3)
H19 H 0.68430 -1.06780 0.07950
H20 H 0.66950 -0.96020 0.11750
H21 H 0.65320 -0.95960 0.04230
N1 N 0.1705(4) -1.2864(4) 0.0993(3)
N2 N 0.1367(5) -0.9205(4) 0.0779(3)
H22 H 0.08210 -0.87190 0.07610
H23 H 0.11810 -0.98800 0.07860
N3 N 0.3301(4) -0.9705(4) 0.0819(2)
N4 N 0.2721(4) -0.7858(4) 0.0782(2)
N5 N 0.1102(4) -1.4683(4) 0.0814(2)
N6 N 0.3058(5) -1.4190(4) 0.0906(3)
H24 H 0.36040 -1.37030 0.09510
H25 H 0.32450 -1.48570 0.08550
N7 N 0.6166(4) -1.3753(4) 0.2642(3)
N8 N 0.4205(5) -1.4208(5) 0.2584(3)
H26 H 0.40500 -1.35380 0.26500
H27 H 0.36370 -1.46740 0.25340
N9 N 0.5519(4) -1.5592(4) 0.2449(2)
N10 N 0.1515(5) -0.5554(4) 0.2288(3)
N11 N -0.1426(5) -0.8028(5) 0.0504(3)
N12 N 0.5774(5) -1.2708(5) 0.1151(3)
O1 O 0.0405(4) -1.1527(3) 0.1111(2)
O2 O 0.5166(4) -1.0233(3) 0.0802(2)
O3 O 0.4038(4) -0.6495(3) 0.0782(2)
O4 O -0.0776(4) -1.5192(3) 0.0691(2)
O5 O 0.6798(4) -1.6910(3) 0.2293(2)
O6 O 0.8057(4) -1.3262(3) 0.2711(2)
O7 O 0.1644(5) -0.4918(4) 0.2753(2)
O8 O 0.0523(4) -0.5897(4) 0.2070(3)
O9 O 0.2433(4) -0.5810(4) 0.2022(2)
O10 O -0.0627(4) -0.7649(4) 0.0895(2)
O11 O -0.1212(5) -0.8859(4) 0.0187(3)
O12 O -0.2434(4) -0.7630(4) 0.0432(3)
O13 O 0.4789(4) -1.2587(4) 0.1380(2)
O14 O 0.6687(4) -1.2352(4) 0.1455(2)
O15 O 0.5802(6) -1.3180(6) 0.0631(3)
Ag2* Ag 0.14418(5) -1.64877(4) 0.09053(3)
Ag3A Ag 0.42076(5) -1.69491(4) 0.24596(3)
Ag3A* Ag 0.42076(5) -0.69491(4) 0.24596(3)
N5* N 0.1102(4) -0.4683(4) 0.0814(2)
N9A N 0.4481(4) -1.0592(4) 0.2551(2)
O9A O 0.7567(4) -1.0810(4) 0.2978(2)
#END

data_CSD_CIF_HORWAN
_audit_creation_date 2009-07-03
_audit_creation_method CSD-ConQuest-V1
_database_code_CSD HORWAN
_database_code_depnum_ccdc_archive 'CCDC 693057'
_chemical_formula_sum 'C20 H20.86 Ag1 B1 F4 N6 O1.43'
_chemical_formula_moiety
;
C20 H18 Ag1 N6 1+,B1 F4 1-,1.43(H2 O1)
;
_journal_coden_Cambridge 1350
_journal_volume 11
_journal_year 2009
_journal_page_first 306
_journal_name_full 'CrystEngComm '
loop_
_publ_author_name
"I.Stoll"
"R.Brodbeck"
"B.Neumann"
"H.-G.Stammler"
"J.Mattay"
_chemical_name_systematic
;
bis(5-Phenylpyrimidin-2-ylamine)-silver tetrafluoroborate hydrate
;
_chemical_melting_point 544.15
_cell_volume   2263.858
_exptl_crystal_colour 'colorless'
_exptl_crystal_density_diffrn 1.643
_exptl_crystal_preparation 'water/ethanol'
_diffrn_ambient_temperature 100
_refine_special_details
;
The anions are disordered over two sites by symmetry.

;
#These two values have been output from a single CSD field.
_refine_ls_R_factor_gt 0.0328
_refine_ls_wR_factor_gt 0.0328
_symmetry_cell_setting monoclinic
_symmetry_space_group_name_H-M 'C 2/c'
_symmetry_Int_Tables_number 15
loop_
_symmetry_equiv_pos_site_id
_symmetry_equiv_pos_as_xyz
1 x,y,z
2 -x,y,1/2-z
3 1/2+x,1/2+y,z
4 1/2-x,1/2+y,1/2-z
5 -x,-y,-z
6 x,-y,-1/2+z
7 -1/2-x,-1/2-y,-z
8 -1/2+x,-1/2-y,-1/2+z
_cell_length_a 7.4910(1)
_cell_length_b 19.1270(4)
_cell_length_c 15.8200(4)
_cell_angle_alpha 90
_cell_angle_beta 92.8670(15)
_cell_angle_gamma 90
_cell_formula_units_Z 4
loop_
_atom_type_symbol
_atom_type_radius_bond
C 0.68
H 0.23
Ag 1.45
B 0.83
F 0.64
N 0.68
O 0.68
loop_
_atom_site_label
_atom_site_type_symbol
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
Ag1 Ag 1.00000 0.00000 0.00000
N1 N 0.8678(3) 0.07958(10) 0.07337(12)
N2 N 0.8540(3) 0.15931(12) -0.03789(14)
H1 H 0.82690 0.20100 -0.05820
H2 H 0.89980 0.12760 -0.07080
N3 N 0.7553(3) 0.19563(11) 0.08885(13)
C1 C 0.8258(3) 0.14420(13) 0.04257(15)
C2 C 0.7257(3) 0.18132(13) 0.16866(16)
H3 H 0.67420 0.21690 0.20160
C3 C 0.7653(3) 0.11725(13) 0.20766(15)
C4 C 0.8368(3) 0.06751(12) 0.15515(15)
H4 H 0.86520 0.02270 0.17810
C5 C 0.7299(3) 0.10457(13) 0.29748(15)
C6 C 0.7404(4) 0.15976(14) 0.35578(16)
H5 H 0.77290 0.20510 0.33760
C7 C 0.7037(4) 0.14867(16) 0.44002(17)
H6 H 0.70900 0.18670 0.47870
C8 C 0.6597(4) 0.08278(17) 0.46790(18)
H7 H 0.63640 0.07520 0.52570
C9 C 0.6498(4) 0.02774(17) 0.41072(18)
H8 H 0.61960 -0.01770 0.42960
C10 C 0.6837(3) 0.03843(14) 0.32590(16)
H9 H 0.67530 0.00040 0.28730
F1 F 1.0066(4) -0.08637(10) 0.32059(15)
F2 F 1.2329(8) -0.1455(5) 0.2528(4)
F3 F 1.00000 -0.18564(18) 0.25000
B1 B 1.0607(10) -0.1256(3) 0.2589(5)
O1 O 1.4024(15) -0.1156(6) 0.3194(7)
O2 O 1.5031(18) -0.1528(7) 0.2960(8)
N1D N 1.1322(3) -0.07958(10) -0.07337(12)
N2D N 1.1460(3) -0.15931(12) 0.03789(14)
H1D H 1.17310 -0.20100 0.05820
H2D H 1.10020 -0.12760 0.07080
N3D N 1.2447(3) -0.19563(11) -0.08885(13)
C1D C 1.1742(3) -0.14420(13) -0.04257(15)
C2D C 1.2743(3) -0.18132(13) -0.16866(16)
H3D H 1.32580 -0.21690 -0.20160
C3D C 1.2347(3) -0.11725(13) -0.20766(15)
C4D C 1.1632(3) -0.06751(12) -0.15515(15)
H4D H 1.13480 -0.02270 -0.17810
C5D C 1.2701(3) -0.10457(13) -0.29748(15)
C6D C 1.2596(4) -0.15976(14) -0.35578(16)
H5D H 1.22710 -0.20510 -0.33760
C7D C 1.2963(4) -0.14867(16) -0.44002(17)
H6D H 1.29100 -0.18670 -0.47870
C8D C 1.3403(4) -0.08278(17) -0.46790(18)
H7D H 1.36360 -0.07520 -0.52570
C9D C 1.3502(4) -0.02774(17) -0.41072(18)
H8D H 1.38040 0.01770 -0.42960
C10D C 1.3163(3) -0.03843(14) -0.32590(16)
H9D H 1.32470 -0.00040 -0.28730
F1A F 0.9934(4) -0.08637(10) 0.17941(15)
F1A* F -0.0066(4) -0.08637(10) 0.17941(15)
F1* F 0.0066(4) -0.08637(10) 0.32059(15)
F2A F 0.7671(8) -0.1455(5) 0.2472(4)
F2A* F -0.2329(8) -0.1455(5) 0.2472(4)
F2* F 0.2329(8) -0.1455(5) 0.2528(4)
F3* F 0.00000 -0.18564(18) 0.25000
B1A B 0.9393(10) -0.1256(3) 0.2411(5)
B1A* B -0.0607(10) -0.1256(3) 0.2411(5)
B1* B 0.0607(10) -0.1256(3) 0.2589(5)
#END

data_CSD_CIF_HORWER
_audit_creation_date 2009-07-03
_audit_creation_method CSD-ConQuest-V1
_database_code_CSD HORWER
_database_code_depnum_ccdc_archive 'CCDC 693058'
_chemical_formula_sum 'C28 H22 Ag1 B1 F4 N6'
_chemical_formula_moiety
;
C28 H22 Ag1 N6 1+,B1 F4 1-
;
_journal_coden_Cambridge 1350
_journal_volume 11
_journal_year 2009
_journal_page_first 306
_journal_name_full 'CrystEngComm '
loop_
_publ_author_name
"I.Stoll"
"R.Brodbeck"
"B.Neumann"
"H.-G.Stammler"
"J.Mattay"
_chemical_name_systematic
;
bis(5-(1-Naphthyl)-2-pyrimidinamine)-silver tetrafluoroborate
;
_chemical_melting_point 498.15
_cell_volume   2519.132
_exptl_crystal_colour 'colorless'
_exptl_crystal_density_diffrn 1.68
_exptl_crystal_description 'plate'
_diffrn_ambient_temperature 200
#These two values have been output from a single CSD field.
_refine_ls_R_factor_gt 0.0378
_refine_ls_wR_factor_gt 0.0378
_symmetry_cell_setting monoclinic
_symmetry_space_group_name_H-M 'P 21/c'
_symmetry_Int_Tables_number 14
loop_
_symmetry_equiv_pos_site_id
_symmetry_equiv_pos_as_xyz
1 x,y,z
2 -x,1/2+y,1/2-z
3 -x,-y,-z
4 x,-1/2-y,-1/2+z
_cell_length_a 18.8540(5)
_cell_length_b 13.3354(3)
_cell_length_c 10.1094(3)
_cell_angle_alpha 90
_cell_angle_beta 97.6513(15)
_cell_angle_gamma 90
_cell_formula_units_Z 4
loop_
_atom_type_symbol
_atom_type_radius_bond
C 0.68
H 0.23
Ag 1.45
B 0.83
F 0.64
N 0.68
loop_
_atom_site_label
_atom_site_type_symbol
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
Ag1 Ag 0.476590(12) 0.371674(19) 0.01612(2)
N1 N 0.54378(11) 0.36731(18) 0.2080(2)
N2 N 0.44421(12) 0.36513(18) 0.3214(2)
H1 H 0.42510 0.35730 0.39560
H2 H 0.41670 0.37910 0.24630
N3 N 0.55334(13) 0.3345(2) 0.4418(2)
N4 N 0.40470(12) 0.36742(18) -0.1697(2)
N5 N 0.49763(12) 0.37364(19) -0.2981(2)
H3 H 0.51390 0.36710 -0.37520
H4 H 0.52710 0.38950 -0.22610
N6 N 0.38625(12) 0.33521(19) -0.4049(2)
C1 C 0.51494(14) 0.3559(2) 0.3229(3)
C2 C 0.62390(15) 0.3278(2) 0.4452(3)
H5 H 0.65150 0.31210 0.52820
C3 C 0.65984(15) 0.3420(2) 0.3357(3)
C4 C 0.61579(14) 0.3615(2) 0.2173(3)
H6 H 0.63740 0.37120 0.13860
C5 C 0.73915(14) 0.3319(2) 0.3440(3)
C6 C 0.78619(15) 0.3932(2) 0.4324(3)
C7 C 0.76224(17) 0.4681(2) 0.5151(3)
H7 H 0.71230 0.47790 0.51470
C8 C 0.80933(18) 0.5269(3) 0.5956(3)
H8 H 0.79190 0.57620 0.65110
C9 C 0.88362(19) 0.5145(3) 0.5964(4)
H9 H 0.91620 0.55670 0.65040
C10 C 0.90878(17) 0.4423(3) 0.5199(3)
H10 H 0.95900 0.43400 0.52210
C11 C 0.86157(15) 0.3795(2) 0.4372(3)
C12 C 0.88782(16) 0.3035(3) 0.3587(3)
H11 H 0.93790 0.29270 0.36390
C13 C 0.84182(17) 0.2461(3) 0.2760(3)
H12 H 0.85990 0.19540 0.22360
C14 C 0.76749(16) 0.2613(2) 0.2674(3)
H13 H 0.73620 0.22160 0.20720
C15 C 0.42854(14) 0.3596(2) -0.2902(3)
C16 C 0.31765(15) 0.3222(2) -0.3973(3)
H14 H 0.28750 0.30510 -0.47700
C17 C 0.28598(15) 0.3318(2) -0.2810(3)
C18 C 0.33348(15) 0.3544(2) -0.1681(3)
H15 H 0.31520 0.36110 -0.08540
C19 C 0.20750(16) 0.3135(2) -0.2858(3)
C20 C 0.17793(17) 0.2308(2) -0.3549(3)
H16 H 0.20890 0.18600 -0.39270
C21 C 0.10462(18) 0.2100(3) -0.3718(3)
H17 H 0.08620 0.15300 -0.42120
C22 C 0.05921(18) 0.2742(3) -0.3150(3)
H18 H 0.00930 0.26070 -0.32510
C23 C 0.08651(15) 0.3595(3) -0.2425(3)
C24 C 0.04116(17) 0.4263(3) -0.1845(3)
H19 H -0.00870 0.41280 -0.19400
C25 C 0.06656(18) 0.5085(3) -0.1162(4)
H20 H 0.03470 0.55220 -0.07890
C26 C 0.14011(18) 0.5292(3) -0.1003(3)
H21 H 0.15780 0.58660 -0.05110
C27 C 0.18675(16) 0.4680(2) -0.1546(3)
H22 H 0.23620 0.48440 -0.14450
C28 C 0.16184(15) 0.3798(2) -0.2263(3)
B1 B 0.66122(19) 0.4606(3) -0.1318(4)
F1 F 0.59632(10) 0.45573(15) -0.08076(17)
F2 F 0.71008(11) 0.40472(16) -0.0507(2)
F3 F 0.65077(10) 0.42429(17) -0.26114(18)
F4 F 0.68018(11) 0.56125(16) -0.1322(2)
#END

data_CSD_CIF_HORWIV
_audit_creation_date 2009-07-03
_audit_creation_method CSD-ConQuest-V1
_database_code_CSD HORWIV
_database_code_depnum_ccdc_archive 'CCDC 693059'
_chemical_formula_sum 'C28 H22 Ag1 B1 F4 N6'
_chemical_formula_moiety
;
C28 H22 Ag1 N6 1+,B1 F4 1-
;
_journal_coden_Cambridge 1350
_journal_volume 11
_journal_year 2009
_journal_page_first 306
_journal_name_full 'CrystEngComm '
loop_
_publ_author_name
"I.Stoll"
"R.Brodbeck"
"B.Neumann"
"H.-G.Stammler"
"J.Mattay"
_chemical_name_systematic
;
bis(5-(2-Naphthyl)-2-pyrimidinamine)-silver tetrafluoroborate
;
_chemical_melting_point 574.15
_cell_volume   2546.773
_exptl_crystal_colour 'colorless'
_exptl_crystal_density_diffrn 1.662
_diffrn_ambient_temperature 200
#These two values have been output from a single CSD field.
_refine_ls_R_factor_gt 0.086
_refine_ls_wR_factor_gt 0.086
_symmetry_cell_setting monoclinic
_symmetry_space_group_name_H-M 'P 21/c'
_symmetry_Int_Tables_number 14
loop_
_symmetry_equiv_pos_site_id
_symmetry_equiv_pos_as_xyz
1 x,y,z
2 -x,1/2+y,1/2-z
3 -x,-y,-z
4 x,-1/2-y,-1/2+z
_cell_length_a 21.7294(13)
_cell_length_b 9.7649(6)
_cell_length_c 12.1235(7)
_cell_angle_alpha 90
_cell_angle_beta 98.099(4)
_cell_angle_gamma 90
_cell_formula_units_Z 4
loop_
_atom_type_symbol
_atom_type_radius_bond
C 0.68
H 0.23
Ag 1.45
B 0.83
F 0.64
N 0.68
loop_
_atom_site_label
_atom_site_type_symbol
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
Ag1 Ag 0.49845(4) 0.24734(10) 0.85322(7)
N1 N 0.5582(4) 0.4165(10) 0.8845(8)
N2 N 0.4773(5) 0.5706(11) 0.8692(8)
H1 H 0.46240 0.65330 0.87660
H2 H 0.45220 0.50320 0.84460
N3 N 0.5758(5) 0.6512(10) 0.9326(8)
N4 N 0.4357(5) 0.0793(9) 0.8523(8)
N5 N 0.5163(5) -0.0768(10) 0.8808(8)
H3 H 0.53070 -0.16030 0.89390
H4 H 0.54190 -0.00960 0.87080
N6 N 0.4174(5) -0.1530(11) 0.8911(9)
C1 C 0.5368(7) 0.5479(12) 0.8947(10)
C2 C 0.6378(6) 0.6248(13) 0.9549(10)
H5 H 0.66550 0.69760 0.97840
C3 C 0.6614(6) 0.4943(13) 0.9444(10)
C4 C 0.6226(6) 0.3950(13) 0.9046(12)
H6 H 0.63880 0.30770 0.88940
C5 C 0.7301(5) 0.4669(12) 0.9644(10)
C6 C 0.7717(6) 0.5428(15) 1.0421(12)
H7 H 0.75560 0.61210 1.08500
C7 C 0.8328(6) 0.5196(16) 1.0568(13)
H8 H 0.85880 0.57150 1.11090
C8 C 0.8599(6) 0.4203(16) 0.9943(12)
C9 C 0.9240(7) 0.3963(18) 1.0047(14)
H9 H 0.95200 0.45140 1.05320
C10 C 0.9467(7) 0.291(2) 0.9435(15)
H10 H 0.98990 0.27070 0.95490
C11 C 0.9089(7) 0.2193(19) 0.8699(13)
H11 H 0.92590 0.15450 0.82410
C12 C 0.8461(5) 0.2366(16) 0.8585(11)
H12 H 0.82000 0.17940 0.80870
C13 C 0.8193(6) 0.3380(14) 0.9195(11)
C14 C 0.7555(6) 0.3627(13) 0.9058(11)
H13 H 0.72870 0.30750 0.85550
C15 C 0.4572(6) -0.0526(12) 0.8762(10)
C16 C 0.3559(7) -0.1273(13) 0.881(1)
H14 H 0.32860 -0.20010 0.89230
C17 C 0.3312(6) 0.0006(13) 0.8547(10)
C18 C 0.3758(5) 0.0987(12) 0.8386(11)
H15 H 0.36110 0.18730 0.81570
C19 C 0.2631(6) 0.0326(14) 0.8405(11)
C20 C 0.2227(6) -0.0445(15) 0.8975(12)
H16 H 0.23880 -0.11540 0.94710
C21 C 0.1609(7) -0.0175(16) 0.8816(14)
H17 H 0.13440 -0.06930 0.92170
C22 C 0.1347(7) 0.0847(16) 0.8077(12)
C23 C 0.0700(7) 0.1213(19) 0.7883(14)
H18 H 0.04110 0.07120 0.82440
C24 C 0.0484(7) 0.231(2) 0.7163(14)
H19 H 0.00600 0.25810 0.70670
C25 C 0.0898(7) 0.295(2) 0.6623(13)
H20 H 0.07500 0.36330 0.60970
C26 C 0.1514(6) 0.2670(15) 0.6781(11)
H21 H 0.17800 0.31780 0.63750
C27 C 0.1771(6) 0.1660(14) 0.7524(12)
C28 C 0.2403(6) 0.1321(13) 0.7696(11)
H22 H 0.26800 0.18090 0.72980
B1 B 0.3343(7) 0.4958(17) 0.7038(15)
F1 F 0.3728(4) 0.4118(9) 0.7774(9)
F2 F 0.2991(6) 0.4131(11) 0.6315(9)
F3 F 0.3008(6) 0.5797(12) 0.7553(11)
F4 F 0.3723(4) 0.5763(9) 0.6435(9)
#END

data_CSD_CIF_IGUGUN
_audit_creation_date 2010-06-03
_audit_creation_method CSD-ConQuest-V1
_database_code_CSD IGUGUN
_database_code_depnum_ccdc_archive 'CCDC 714483'
_chemical_formula_sum 'C10 H14 Ag2 N6 O6'
_chemical_formula_moiety
;
(C10 H10 Ag2 N6 O4)n,2n(H2 O1)
;
_journal_coden_Cambridge 580
_journal_volume 28
_journal_year 2009
_journal_page_first 2983
_journal_name_full 'Polyhedron '
loop_
_publ_author_name
"Di Sun"
"Geng-Geng Luo"
"Na Zhang"
"Jian-Hua Chen"
"Rong-Bin Huang"
"Li-Rong Lin"
"Lan-Sun Zheng"
_chemical_name_systematic
;
catena-(bis(μ₃-2-Aminopyrimidine)-(μ₂-oxalato)-di-silver(i) dihydrate)
;
_cell_volume   1446.907
_exptl_crystal_density_diffrn 2.433
_exptl_crystal_preparation 'methanol/diethyl ether'
_diffrn_ambient_temperature 173
#These two values have been output from a single CSD field.
_refine_ls_R_factor_gt 0.0223
_refine_ls_wR_factor_gt 0.0223
_symmetry_cell_setting monoclinic
_symmetry_space_group_name_H-M 'C 2/c'
_symmetry_Int_Tables_number 15
loop_
_symmetry_equiv_pos_site_id
_symmetry_equiv_pos_as_xyz
1 x,y,z
2 -x,y,1/2-z
3 1/2+x,1/2+y,z
4 1/2-x,1/2+y,1/2-z
5 -x,-y,-z
6 x,-y,-1/2+z
7 -1/2-x,-1/2-y,-z
8 -1/2+x,-1/2-y,-1/2+z
_cell_length_a 15.0957(4)
_cell_length_b 6.4357(2)
_cell_length_c 14.9699(5)
_cell_angle_alpha 90
_cell_angle_beta 95.798(3)
_cell_angle_gamma 90
_cell_formula_units_Z 4
loop_
_atom_type_symbol
_atom_type_radius_bond
C 0.68
H 0.23
Ag 1.50
N 0.68
O 0.78
loop_
_atom_site_label
_atom_site_type_symbol
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
Ag1 Ag 0.255845(15) 0.09985(3) 0.154876(15)
O1 O 0.42747(19) 0.2700(5) 0.18006(18)
N1 N 0.20220(15) -0.2163(4) 0.09935(16)
C1 C 0.23865(19) -0.3990(4) 0.1251(2)
O2 O 0.5378(2) 0.6199(6) 0.1355(2)
O3 O 0.40403(19) -0.0282(5) 0.24576(19)
N2 N 0.21309(17) -0.5846(4) 0.09035(17)
C2 C 0.13431(19) -0.2213(5) 0.03402(19)
H1 H 0.10580 -0.09470 0.01530
N3 N 0.30560(17) -0.3973(4) 0.19333(17)
H2 H 0.32330 -0.27890 0.21870
H3 H 0.33120 -0.51440 0.21210
C3 C 0.1461(2) -0.5839(5) 0.0239(2)
H4 H 0.12680 -0.71220 -0.00270
C4 C 0.1047(2) -0.4039(5) -0.0066(2)
H5 H 0.05760 -0.40520 -0.05380
C5 C 0.4518(2) 0.1195(5) 0.2289(2)
H6 H 0.511(3) 0.528(9) 0.150(3)
H7 H 0.541(4) 0.696(9) 0.172(4)
Ag1* Ag 0.255845(15) 1.09985(3) 0.154876(15)
Ag1** Ag 0.255845(15) -0.90015(3) 0.154876(15)
Ag1C Ag 0.244155(15) -0.40015(3) 0.345124(15)
Ag1A Ag 0.744155(15) 0.09985(3) 0.345124(15)
Ag1C* Ag 0.244155(15) 0.59985(3) 0.345124(15)
O1A O 0.57253(19) 0.2700(5) 0.31994(18)
N1* N 0.20220(15) 0.7837(4) 0.09935(16)
C1* C 0.23865(19) 0.6010(4) 0.1251(2)
O3A O 0.59597(19) -0.0282(5) 0.25424(19)
O3* O 0.40403(19) 0.9718(5) 0.24576(19)
N2* N 0.21309(17) 0.4154(4) 0.09035(17)
N2** N 0.21309(17) 1.4154(4) 0.09035(17)
C2* C 0.13431(19) 0.7787(5) 0.03402(19)
H1* H 0.10580 0.90530 0.01530
N3* N 0.30560(17) 0.6027(4) 0.19333(17)
N3C N 0.19440(17) 0.1027(4) 0.30667(17)
N3C* N 0.19440(17) 1.1027(4) 0.30667(17)
H2* H 0.32330 0.72110 0.21870
H2C H 0.17670 0.22110 0.28130
H2C* H 0.17670 1.22110 0.28130
H3* H 0.33120 0.48560 0.21210
H3C H 0.16880 -0.01440 0.28790
H3C* H 0.16880 0.98560 0.28790
C3* C 0.1461(2) 0.4161(5) 0.0239(2)
H4* H 0.12680 0.28780 -0.00270
C4* C 0.1047(2) 0.5961(5) -0.0066(2)
H5* H 0.05760 0.59480 -0.05380
C5A C 0.5482(2) 0.1195(5) 0.2711(2)
#END

data_CSD_CIF_IGUHAU
_audit_creation_date 2010-06-03
_audit_creation_method CSD-ConQuest-V1
_database_code_CSD IGUHAU
_database_code_depnum_ccdc_archive 'CCDC 714484'
_chemical_formula_sum 'C13 H18 Ag2 N6 O5'
_chemical_formula_moiety
;
(C13 H16 Ag2 N6 O4)n,n(H2 O1)
;
_journal_coden_Cambridge 580
_journal_volume 28
_journal_year 2009
_journal_page_first 2983
_journal_name_full 'Polyhedron '
loop_
_publ_author_name
"Di Sun"
"Geng-Geng Luo"
"Na Zhang"
"Jian-Hua Chen"
"Rong-Bin Huang"
"Li-Rong Lin"
"Lan-Sun Zheng"
_chemical_name_systematic
;
catena-((μ₂-Glutarato)-bis(μ₂-2-aminopyrimidine)-di-silver(i) 
monohydrate)
;
_cell_volume   1678.295
_exptl_crystal_density_diffrn 2.189
_diffrn_ambient_temperature 298
#These two values have been output from a single CSD field.
_refine_ls_R_factor_gt 0.047
_refine_ls_wR_factor_gt 0.047
_symmetry_cell_setting monoclinic
_symmetry_space_group_name_H-M 'C 2/c'
_symmetry_Int_Tables_number 15
loop_
_symmetry_equiv_pos_site_id
_symmetry_equiv_pos_as_xyz
1 x,y,z
2 -x,y,1/2-z
3 1/2+x,1/2+y,z
4 1/2-x,1/2+y,1/2-z
5 -x,-y,-z
6 x,-y,-1/2+z
7 -1/2-x,-1/2-y,-z
8 -1/2+x,-1/2-y,-1/2+z
_cell_length_a 8.3565(9)
_cell_length_b 9.8212(9)
_cell_length_c 20.5297(19)
_cell_angle_alpha 90
_cell_angle_beta 95.071(5)
_cell_angle_gamma 90
_cell_formula_units_Z 4
loop_
_atom_type_symbol
_atom_type_radius_bond
C 0.68
H 0.23
Ag 1.45
N 0.68
O 0.68
loop_
_atom_site_label
_atom_site_type_symbol
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
Ag1 Ag -0.62090(6) 0.12721(6) -0.48912(2)
O1 O -0.6265(8) 0.0211(6) -0.3526(3)
O2 O -0.6108(6) 0.2318(5) -0.3892(2)
N1 N -0.4750(6) 0.2937(5) -0.5377(2)
N2 N -0.2654(6) 0.4604(5) -0.5377(2)
N3 N -0.3623(6) 0.3861(5) -0.4424(2)
H1 H -0.29570 0.43990 -0.42090
H2 H -0.42560 0.33580 -0.42190
C1 C -0.50000 0.2917(13) -0.25000
H3 H -0.46730 0.34910 -0.28430
C2 C -0.6404(9) 0.2039(10) -0.2768(3)
H4 H -0.65260 0.12940 -0.24670
H5 H -0.73770 0.25820 -0.27840
C3 C -0.2760(8) 0.4554(7) -0.6032(3)
H6 H -0.20720 0.50870 -0.62570
C4 C -0.4822(7) 0.2930(7) -0.6033(3)
H7 H -0.55550 0.23530 -0.62620
C5 C -0.6247(7) 0.1456(8) -0.3439(3)
C6 C -0.3867(8) 0.3731(7) -0.6379(3)
H8 H -0.39590 0.37220 -0.68340
C7 C -0.3673(6) 0.3802(5) -0.5065(3)
O3 O 0.00000 0.3529(9) -0.25000
H9 H 0.035(14) 0.408(11) -0.221(5)
Ag1A Ag -0.37910(6) 0.12721(6) -0.01088(2)
Ag1B Ag -0.12090(6) 0.62721(6) -0.48912(2)
Ag1C Ag -0.87910(6) 0.62721(6) -0.01088(2)
O1A O -0.3735(8) 0.0211(6) -0.1474(3)
O2A O -0.3892(6) 0.2318(5) -0.1108(2)
N1A N -0.5250(6) 0.2937(5) 0.0377(2)
N2A N -0.7346(6) 0.4604(5) 0.0377(2)
N2B N -0.7654(6) -0.0396(5) -0.5377(2)
N2C N -0.2346(6) -0.0396(5) 0.0377(2)
N3A N -0.6377(6) 0.3861(5) -0.0576(2)
H1A H -0.70430 0.43990 -0.07910
H2A H -0.57440 0.33580 -0.07810
H3A H -0.53270 0.34910 -0.21570
C2A C -0.3596(9) 0.2039(10) -0.2232(3)
H4A H -0.34740 0.12940 -0.25330
H5A H -0.26230 0.25820 -0.22160
C3A C -0.7240(8) 0.4554(7) 0.1032(3)
H6A H -0.79280 0.50870 0.12570
C4A C -0.5178(7) 0.2930(7) 0.1033(3)
H7A H -0.44450 0.23530 0.12620
C5A C -0.3753(7) 0.1456(8) -0.1561(3)
C6A C -0.6133(8) 0.3731(7) 0.1379(3)
H8A H -0.60410 0.37220 0.18340
C7A C -0.6327(6) 0.3802(5) 0.0065(3)
H9A H -0.035(14) 0.408(11) -0.279(5)
#END

data_CSD_CIF_IGUHEY
_audit_creation_date 2010-06-03
_audit_creation_method CSD-ConQuest-V1
_database_code_CSD IGUHEY
_database_code_depnum_ccdc_archive 'CCDC 714485'
_chemical_formula_sum 'C20 H20 Ag2 N6 O6'
_chemical_formula_moiety
;
(C20 H16 Ag2 N6 O4)n,2n(H2 O1)
;
_journal_coden_Cambridge 580
_journal_volume 28
_journal_year 2009
_journal_page_first 2983
_journal_name_full 'Polyhedron '
loop_
_publ_author_name
"Di Sun"
"Geng-Geng Luo"
"Na Zhang"
"Jian-Hua Chen"
"Rong-Bin Huang"
"Li-Rong Lin"
"Lan-Sun Zheng"
_chemical_name_systematic
;
catena-((μ₄-Naphthalene-1,4-dicarboxylato)-bis(μ₂-2-aminopyrimidine)-di-
silver(i) dihydrate)
;
_cell_volume   2176.801
_exptl_crystal_density_diffrn 2.002
_diffrn_ambient_temperature 293
#These two values have been output from a single CSD field.
_refine_ls_R_factor_gt 0.0379
_refine_ls_wR_factor_gt 0.0379
_symmetry_cell_setting orthorhombic
_symmetry_space_group_name_H-M 'P n n a'
_symmetry_Int_Tables_number 52
loop_
_symmetry_equiv_pos_site_id
_symmetry_equiv_pos_as_xyz
1 x,y,z
2 1/2-x,-y,z
3 1/2-x,1/2+y,1/2-z
4 x,1/2-y,1/2-z
5 -x,-y,-z
6 -1/2+x,y,-z
7 -1/2+x,-1/2-y,-1/2+z
8 -x,-1/2+y,-1/2+z
_cell_length_a 12.4033(5)
_cell_length_b 17.4377(8)
_cell_length_c 10.0645(4)
_cell_angle_alpha 90
_cell_angle_beta 90
_cell_angle_gamma 90
_cell_formula_units_Z 4
loop_
_atom_type_symbol
_atom_type_radius_bond
C 0.68
H 0.23
Ag 1.50
N 0.68
O 0.68
loop_
_atom_site_label
_atom_site_type_symbol
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
Ag1 Ag -0.25000 0.50000 1.14369(5)
Ag2 Ag 0.25000 0.50000 1.24626(6)
C1 C -0.2129(4) 0.6982(3) 0.8571(5)
C2 C -0.0024(4) 0.4988(3) 1.2482(5)
N1 N 0.0864(3) 0.4692(2) 1.3050(4)
C3 C -0.0289(4) 0.4002(3) 1.4505(5)
H1 H -0.03820 0.36750 1.52240
C4 C -0.1127(4) 0.7248(3) 0.8057(5)
N2 N -0.1041(3) 0.4799(2) 1.2842(4)
N3 N 0.0096(3) 0.5508(3) 1.1535(4)
H2 H 0.07320 0.56490 1.12970
H3 H -0.04610 0.57050 1.11590
C5 C -0.0118(4) 0.6994(3) 0.8569(5)
H4 H -0.01050 0.66520 0.92770
C6 C 0.0831(4) 0.7245(3) 0.8036(5)
H5 H 0.14820 0.70760 0.83890
C7 C -0.1145(4) 0.4313(3) 1.3842(5)
H6 H -0.18370 0.41740 1.41070
C8 C 0.0706(4) 0.4199(3) 1.4055(5)
H7 H 0.13050 0.39820 1.44630
O1 O -0.2795(3) 0.58550(19) 0.9596(3)
O2 O -0.1634(3) 0.65725(19) 1.0740(3)
C9 C -0.2184(3) 0.6430(3) 0.9719(5)
C10 C -0.3078(4) 0.7232(3) 0.8022(5)
H8 H -0.37290 0.70440 0.83430
O3 O -0.1542(4) 0.6779(2) 1.3637(4)
H9 H -0.15680 0.67240 1.27990
H10 H -0.15680 0.72560 1.38120
Ag1B Ag -0.25000 1.00000 0.35631(5)
Ag2D Ag -0.25000 0.50000 0.75374(6)
Ag2F Ag -0.25000 1.00000 0.74626(6)
Ag2* Ag -0.75000 0.50000 1.24626(6)
C1C C -0.2129(4) 0.8018(3) 0.6429(5)
C2A C -0.4976(4) 0.5012(3) 1.2482(5)
N1A N -0.5864(3) 0.5308(2) 1.3050(4)
N1A* N 0.4136(3) 0.5308(2) 1.3050(4)
C3A C -0.4711(4) 0.5998(3) 1.4505(5)
H1A H -0.46180 0.63250 1.52240
C4C C -0.1127(4) 0.7752(3) 0.6943(5)
N2A N -0.3959(3) 0.5201(2) 1.2842(4)
N3A N -0.5096(3) 0.4492(3) 1.1535(4)
H2A H -0.57320 0.43510 1.12970
H3A H -0.45390 0.42950 1.11590
C5C C -0.0118(4) 0.8006(3) 0.6431(5)
H4C H -0.01050 0.83480 0.57230
C6C C 0.0831(4) 0.7755(3) 0.6964(5)
H5C H 0.14820 0.79240 0.66110
C7A C -0.3855(4) 0.5687(3) 1.3842(5)
H6A H -0.31630 0.58260 1.41070
C8A C -0.5706(4) 0.5801(3) 1.4055(5)
H7A H -0.63050 0.60180 1.44630
O1C O -0.2795(3) 0.91450(19) 0.5404(3)
O1A O -0.2205(3) 0.41450(19) 0.9596(3)
O1D O 0.2795(3) 0.41450(19) 1.0404(3)
O1E O 0.2205(3) 0.58550(19) 1.0404(3)
O2C O -0.1634(3) 0.84275(19) 0.4260(3)
C9C C -0.2184(3) 0.8570(3) 0.5281(5)
C10C C -0.3078(4) 0.7768(3) 0.6978(5)
H8C H -0.37290 0.79560 0.66570
#END

data_CSD_CIF_ILAFEH
_audit_creation_date 2011-05-12
_audit_creation_method CSD-ConQuest-V1
_database_code_CSD ILAFEH
_database_code_depnum_ccdc_archive 'CCDC 768635'
_chemical_formula_sum 'C14 H16 Ag3 N7 O6'
_chemical_formula_moiety
;
(C14 H16 Ag3 N7 O6)n
;
_journal_coden_Cambridge 155
_journal_volume 368
_journal_year 2011
_journal_page_first 67
_journal_name_full 'Inorg.Chim.Acta '
loop_
_publ_author_name
"Di Sun"
"Na Zhang"
"Qin-Juan Xu"
"Zhan-Hua Wei"
"Rong-Bin Huang"
"Lan-Sun Zheng"
_chemical_name_systematic
;
catena-((μ₄-nitrilo-triacetato)-bis(μ₂-2-aminopyrimidine)-tri-silver(i))
;
_cell_volume    925.587
_exptl_crystal_colour 'colorless'
_exptl_crystal_density_diffrn 2.519
_exptl_crystal_description 'block'
_diffrn_ambient_temperature 298
#These two values have been output from a single CSD field.
_refine_ls_R_factor_gt 0.0741
_refine_ls_wR_factor_gt 0.0741
_symmetry_cell_setting monoclinic
_symmetry_space_group_name_H-M 'P 21/m'
_symmetry_Int_Tables_number 11
loop_
_symmetry_equiv_pos_site_id
_symmetry_equiv_pos_as_xyz
1 x,y,z
2 -x,1/2+y,-z
3 -x,-y,-z
4 x,-1/2-y,z
_cell_length_a 6.427(4)
_cell_length_b 22.074(15)
_cell_length_c 7.176(5)
_cell_angle_alpha 90
_cell_angle_beta 114.609(17)
_cell_angle_gamma 90
_cell_formula_units_Z 2
loop_
_atom_type_symbol
_atom_type_radius_bond
C 0.68
H 0.23
Ag 1.40
N 0.68
O 0.89
loop_
_atom_site_label
_atom_site_type_symbol
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
Ag1 Ag 0.43582(15) 0.49815(4) 0.77229(15)
Ag2 Ag 0.3960(3) 0.75000 1.3481(2)
C1 C 1.0961(19) 0.4878(5) 1.2622(17)
C2 C 1.3055(19) 0.4015(5) 1.3359(16)
H1 H 1.43780 0.38080 1.35160
C3 C 1.1339(19) 0.3694(5) 1.3552(18)
H2 H 1.14800 0.32840 1.38870
C4 C 0.944(2) 0.4011(5) 1.3226(19)
H3 H 0.82180 0.38040 1.33110
C5 C 0.6491(18) 0.6956(4) 1.1075(16)
H4 H 0.79690 0.70060 1.22220
H5 H 0.67490 0.69120 0.98430
C6 C 0.5352(17) 0.6377(4) 1.1397(16)
C7 C 0.299(3) 0.75000 0.903(2)
H6 H 0.15770 0.75000 0.91020
C8 C 0.314(3) 0.75000 0.694(3)
N1 N 0.9168(16) 0.4605(4) 1.2783(14)
N2 N 1.2954(15) 0.4600(4) 1.2964(14)
N3 N 1.0775(16) 0.5470(4) 1.2216(14)
H7 H 0.95490 0.56600 1.20700
H8 H 1.18810 0.56610 1.21010
N4 N 0.5108(19) 0.75000 1.0889(17)
O1 O 0.3842(14) 0.6388(3) 1.1972(12)
O2 O 0.6323(13) 0.5900(3) 1.1081(13)
O3 O 0.511(2) 0.75000 0.6924(18)
O4 O 0.137(2) 0.75000 0.5413(19)
Ag1C Ag 0.43582(15) 1.00185(4) 0.77229(15)
Ag1B Ag 0.56418(15) 0.50185(4) 1.22771(15)
Ag1A Ag 0.56418(15) 0.99815(4) 1.22771(15)
Ag1B* Ag 1.56418(15) 0.50185(4) 1.22771(15)
Ag1B** Ag -0.43582(15) 0.50185(4) 1.22771(15)
Ag2* Ag 0.3960(3) 0.75000 0.3481(2)
C1* C 0.0961(19) 0.4878(5) 1.2622(17)
C2* C 0.3055(19) 0.4015(5) 1.3359(16)
H1* H 0.43780 0.38080 1.35160
C3* C 0.1339(19) 0.3694(5) 1.3552(18)
H2* H 0.14800 0.32840 1.38870
C4* C -0.056(2) 0.4011(5) 1.3226(19)
H3* H -0.17820 0.38040 1.33110
C5C C 0.6491(18) 0.8044(4) 1.1075(16)
H4C H 0.79690 0.79940 1.22220
H5C H 0.67490 0.80880 0.98430
C6C C 0.5352(17) 0.8623(4) 1.1397(16)
N1* N -0.0832(16) 0.4605(4) 1.2783(14)
N1C N 0.9168(16) 1.0395(4) 1.2783(14)
N2* N 0.2954(15) 0.4600(4) 1.2964(14)
N2C N 0.2954(15) 1.0400(4) 1.2964(14)
N3* N 0.0775(16) 0.5470(4) 1.2216(14)
H7* H -0.04510 0.56600 1.20700
H8* H 0.18810 0.56610 1.21010
O1C O 0.3842(14) 0.8612(3) 1.1972(12)
O2C O 0.6323(13) 0.9100(3) 1.1081(13)
O3* O 0.511(2) 0.75000 1.6924(18)
O4* O 0.137(2) 0.75000 1.5413(19)
#END

data_CSD_CIF_ILAFIL
_audit_creation_date 2011-05-12
_audit_creation_method CSD-ConQuest-V1
_database_code_CSD ILAFIL
_database_code_depnum_ccdc_archive 'CCDC 768636'
_chemical_formula_sum 'C11 H23 Ag2 N5 O9'
_chemical_formula_moiety
;
(C11 H13 Ag2 N4 O6 1-)n,n(H4 N1 1+),3n(H2 O1)
;
_journal_coden_Cambridge 155
_journal_volume 368
_journal_year 2011
_journal_page_first 67
_journal_name_full 'Inorg.Chim.Acta '
loop_
_publ_author_name
"Di Sun"
"Na Zhang"
"Qin-Juan Xu"
"Zhan-Hua Wei"
"Rong-Bin Huang"
"Lan-Sun Zheng"
_chemical_name_systematic
;
catena-(ammonium 
(μ₄-nitrilo-triacetato)-(μ₂-2-amino-4-methylpyrimidine)-di-silver(i) 
trihydrate)
;
_cell_volume   3892.693
_exptl_crystal_colour 'colorless'
_exptl_crystal_density_diffrn 1.997
_exptl_crystal_description 'plate-like'
_diffrn_ambient_temperature 298
#These two values have been output from a single CSD field.
_refine_ls_R_factor_gt 0.0336
_refine_ls_wR_factor_gt 0.0336
_symmetry_cell_setting orthorhombic
_symmetry_space_group_name_H-M 'P c c n'
_symmetry_Int_Tables_number 56
loop_
_symmetry_equiv_pos_site_id
_symmetry_equiv_pos_as_xyz
1 x,y,z
2 1/2-x,1/2-y,z
3 -x,1/2+y,1/2-z
4 1/2+x,-y,1/2-z
5 -x,-y,-z
6 -1/2+x,-1/2+y,-z
7 x,-1/2-y,-1/2+z
8 -1/2-x,y,-1/2+z
_cell_length_a 24.864(5)
_cell_length_b 10.098(2)
_cell_length_c 15.504(3)
_cell_angle_alpha 90
_cell_angle_beta 90
_cell_angle_gamma 90
_cell_formula_units_Z 8
loop_
_atom_type_symbol
_atom_type_radius_bond
C 0.68
H 0.23
Ag 1.42
N 0.68
O 0.83
loop_
_atom_site_label
_atom_site_type_symbol
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
Ag1 Ag 0.551199(15) 0.47561(4) 0.29244(3)
Ag2 Ag 0.468940(15) 0.90450(4) 0.56901(3)
C1 C 0.49687(18) 0.6641(4) 0.4272(3)
C2 C 0.41724(19) 0.6358(5) 0.4983(3)
H1 H 0.39220 0.66390 0.53890
C3 C 0.4072(2) 0.5215(5) 0.4548(4)
H2 H 0.37600 0.47300 0.46490
C4 C 0.44493(18) 0.4793(4) 0.3946(3)
C5 C 0.4376(2) 0.3575(5) 0.3424(4)
H3 H 0.46780 0.29970 0.35080
H4 H 0.40520 0.31320 0.36000
H5 H 0.43500 0.38070 0.28250
C6 C 0.6282(2) 0.2774(4) 0.1999(3)
H6 H 0.66340 0.24900 0.18030
H7 H 0.60350 0.26970 0.15170
C7 C 0.6096(2) 0.1852(4) 0.2718(4)
C8 C 0.67652(19) 0.4356(5) 0.2868(4)
H8 H 0.70980 0.43210 0.25430
H9 H 0.67670 0.36180 0.32690
C9 C 0.6756(2) 0.5628(5) 0.3381(4)
C10 C 0.63785(18) 0.5013(5) 0.1491(4)
H10 H 0.66590 0.46370 0.11320
H11 H 0.64960 0.58880 0.16690
C11 C 0.58674(19) 0.5150(4) 0.0956(3)
N1 N 0.54199(16) 0.7342(4) 0.4149(3)
H12 H 0.54740 0.80560 0.44390
H13 H 0.56550 0.70780 0.37810
N2 N 0.46138(14) 0.7102(4) 0.4858(3)
N3 N 0.48987(14) 0.5512(3) 0.3808(3)
N4 N 0.63125(15) 0.4178(3) 0.2264(3)
N5 N 0.82747(17) 0.6018(4) 0.3914(3)
H14 H 0.79140 0.59320 0.39200
H15 H 0.83970 0.60890 0.44580
H16 H 0.84220 0.53020 0.36620
H17 H 0.83650 0.67490 0.36150
O1 O 0.57463(17) 0.2262(3) 0.3226(3)
O2 O 0.7949(4) 0.7206(9) 0.0506(7)
H18 H 0.81300 0.79120 0.05730
H19 H 0.80760 0.68020 0.00710
O3 O 0.62969(18) 0.0711(4) 0.2715(3)
O4 O 0.7873(2) 0.5121(8) 0.1642(5)
H20 H 0.82120 0.50710 0.17170
H21 H 0.78480 0.58970 0.14330
O5 O 0.71304(16) 0.5749(4) 0.3942(3)
O6 O 0.7622(4) 0.3779(8) 0.0175(7)
H22 H 0.73800 0.41830 0.04580
H23 H 0.76420 0.41120 -0.03270
O7 O 0.63967(14) 0.6453(3) 0.3270(3)
O8 O 0.54216(12) 0.5018(3) 0.1336(2)
O9 O 0.59236(14) 0.5436(3) 0.0172(2)
Ag2D Ag 0.531060(15) 0.09550(4) 0.43099(3)
Ag2F Ag 0.468940(15) 0.59550(4) 0.06901(3)
Ag2B Ag 0.531060(15) 0.40450(4) -0.06901(3)
O1D O 0.42537(17) 0.7738(3) 0.6774(3)
O8F O 0.54216(12) 0.9982(3) 0.6336(2)
O9B O 0.40764(14) 1.0436(3) 0.4828(2)
#END

data_CSD_CIF_ILAFOR
_audit_creation_date 2011-05-12
_audit_creation_method CSD-ConQuest-V1
_database_code_CSD ILAFOR
_database_code_depnum_ccdc_archive 'CCDC 768637'
_chemical_formula_sum 'C24 H34 Ag2 N10 O6'
_chemical_formula_moiety
;
(C24 H34 Ag2 N10 O6)n
;
_journal_coden_Cambridge 155
_journal_volume 368
_journal_year 2011
_journal_page_first 67
_journal_name_full 'Inorg.Chim.Acta '
loop_
_publ_author_name
"Di Sun"
"Na Zhang"
"Qin-Juan Xu"
"Rong-Bin Huang"
"Lan-Sun Zheng"
_chemical_name_systematic
;
catena-((μ₃-tris(carboxylatomethyl)ammonium)-tris(2-amino-4,6-dimethylpyrim
idine)-di-silver(i))
;
_cell_volume   2867.629
_exptl_crystal_colour 'colorless'
_exptl_crystal_density_diffrn 1.794
_exptl_crystal_description 'needle'
_diffrn_ambient_temperature 298
#These two values have been output from a single CSD field.
_refine_ls_R_factor_gt 0.078
_refine_ls_wR_factor_gt 0.078
_symmetry_cell_setting monoclinic
_symmetry_space_group_name_H-M 'P 21/c'
_symmetry_Int_Tables_number 14
loop_
_symmetry_equiv_pos_site_id
_symmetry_equiv_pos_as_xyz
1 x,y,z
2 -x,1/2+y,1/2-z
3 -x,-y,-z
4 x,-1/2-y,-1/2+z
_cell_length_a 7.566(4)
_cell_length_b 12.274(6)
_cell_length_c 31.737(15)
_cell_angle_alpha 90
_cell_angle_beta 103.349(14)
_cell_angle_gamma 90
_cell_formula_units_Z 4
loop_
_atom_type_symbol
_atom_type_radius_bond
C 0.68
H 0.23
Ag 1.52
N 0.68
O 0.78
loop_
_atom_site_label
_atom_site_type_symbol
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
Ag1 Ag 0.35553(10) 0.10686(5) 0.41281(2)
Ag2 Ag 0.66206(8) 0.69990(6) 0.35083(2)
C1 C 0.1263(10) 0.1244(5) 0.3161(3)
C2 C 0.3967(10) 0.0395(5) 0.3194(2)
C3 C 0.3366(11) 0.0132(6) 0.2762(3)
H1 H 0.41280 -0.02320 0.26170
C4 C 0.1639(10) 0.0410(5) 0.2548(2)
C5 C 0.5782(11) 0.0088(7) 0.3449(3)
H2 H 0.63460 0.07070 0.36100
H3 H 0.65150 -0.01530 0.32570
H4 H 0.56700 -0.04900 0.36440
C6 C 0.0878(12) 0.0120(6) 0.2092(3)
H5 H -0.03520 0.03760 0.20060
H6 H 0.08970 -0.06580 0.20600
H7 H 0.15910 0.04510 0.19130
C7 C 0.3058(9) 0.0331(5) 0.5057(2)
C8 C 0.1777(10) -0.1217(5) 0.5250(3)
C9 C 0.0847(10) -0.1348(5) 0.4822(3)
H8 H -0.00080 -0.19000 0.47420
C10 C 0.1224(10) -0.0641(6) 0.4521(3)
C11 C 0.1553(13) -0.2007(7) 0.5589(3)
H9 H 0.15270 -0.16210 0.58510
H10 H 0.25510 -0.25110 0.56440
H11 H 0.04350 -0.23990 0.54920
C12 C 0.0422(13) -0.0772(6) 0.4051(3)
H12 H -0.03920 -0.01770 0.39510
H13 H -0.02350 -0.14470 0.40020
H14 H 0.13730 -0.07760 0.38970
C13 C 0.4215(10) 0.7267(6) 0.2562(3)
C14 C 0.704(1) 0.8042(6) 0.2630(2)
C15 C 0.6506(10) 0.8384(6) 0.2216(3)
H15 H 0.73060 0.87750 0.20900
C16 C 0.4775(11) 0.8155(5) 0.1977(3)
C17 C 0.8894(12) 0.8258(7) 0.2905(3)
H16 H 0.92330 0.76790 0.31110
H17 H 0.88900 0.89360 0.30550
H18 H 0.97500 0.82970 0.27240
C18 C 0.4123(14) 0.8508(8) 0.1526(3)
H19 H 0.28200 0.84780 0.14480
H20 H 0.46070 0.80360 0.13390
H21 H 0.45150 0.92420 0.14950
C19 C 0.2924(11) 0.6542(5) 0.4322(3)
H22 H 0.38200 0.66390 0.45920
H23 H 0.19480 0.70580 0.43180
C20 C 0.3787(10) 0.6785(6) 0.3951(3)
C21 C 0.3673(10) 0.4617(5) 0.4476(3)
H24 H 0.38860 0.45890 0.47890
H25 H 0.47850 0.48600 0.44030
C22 C 0.3203(11) 0.3487(5) 0.4293(3)
C23 C 0.069(1) 0.5302(6) 0.4527(3)
H26 H 0.10480 0.56360 0.48100
H27 H 0.04900 0.45330 0.45680
C24 C -0.1074(11) 0.5810(7) 0.4284(3)
N1 N 0.0185(9) 0.1839(5) 0.3358(2)
H28 H -0.08870 0.20210 0.32180
H29 H 0.05720 0.20350 0.36240
N2 N 0.3120(9) 0.6695(6) 0.2748(2)
H30 H 0.20400 0.65380 0.26050
H31 H 0.34890 0.64800 0.30110
N3 N 0.2890(8) 0.0937(4) 0.3406(2)
N4 N 0.3985(8) 0.1253(5) 0.5190(2)
H32 H 0.40980 0.17430 0.50040
H33 H 0.44650 0.13510 0.54610
N5 N 0.0543(9) 0.0979(5) 0.2748(2)
N6 N 0.2344(7) 0.0215(4) 0.46378(19)
N7 N 0.2918(9) -0.0377(5) 0.5378(2)
N8 N 0.3635(9) 0.7591(5) 0.2157(2)
N9 N 0.5892(8) 0.7490(4) 0.28194(19)
N10 N 0.2188(7) 0.5420(4) 0.43041(19)
H34 H 0.17330 0.52560 0.40200
O1 O 0.3625(8) 0.6072(4) 0.36599(19)
O2 O 0.4615(8) 0.7660(4) 0.3958(2)
O3 O 0.1836(8) 0.3384(4) 0.3996(2)
O4 O 0.4280(8) 0.2762(4) 0.4475(2)
O5 O -0.2345(9) 0.5796(6) 0.4459(3)
O6 O -0.1017(8) 0.6205(5) 0.3920(2)
Ag2* Ag -0.33794(8) 0.69990(6) 0.35083(2)
O6* O 0.8983(8) 0.6205(5) 0.3920(2)
#END

data_CSD_CIF_IZECUM
_audit_creation_date 2011-11-07
_audit_creation_method CSD-ConQuest-V1
_database_code_CSD IZECUM
_database_code_depnum_ccdc_archive 'CCDC 800282'
_chemical_formula_sum 'C64 H66 Ag4 Cl2 N8 O10 P4'
_chemical_formula_moiety
;
C58 H52 Ag4 N6 P4 2+,2(C3 H7 N1 O1),2(Cl1 O4 1-)
;
_journal_coden_Cambridge 1295
_journal_volume 14
_journal_year 2011
_journal_page_first 1039
_journal_name_full 'Inorg.Chem.Commun. '
loop_
_publ_author_name
"Di Sun"
"Na Zhang"
"Rong-Bin Huang"
"Lan-Sun Zheng"
_chemical_name_systematic
;
bis(μ₃-pyrimidin-2-aminato)-bis(μ₂-bis(diphenylphosphino)methane)-tetra-
silver diperchlorate N,N-dimethylformamide solvate
;
_cell_volume   3397.606
_exptl_crystal_density_diffrn 1.694
_diffrn_ambient_temperature 298
#These two values have been output from a single CSD field.
_refine_ls_R_factor_gt 0.0587
_refine_ls_wR_factor_gt 0.0587
_symmetry_cell_setting monoclinic
_symmetry_space_group_name_H-M 'P 21/c'
_symmetry_Int_Tables_number 14
loop_
_symmetry_equiv_pos_site_id
_symmetry_equiv_pos_as_xyz
1 x,y,z
2 -x,1/2+y,1/2-z
3 -x,-y,-z
4 x,-1/2-y,-1/2+z
_cell_length_a 12.482(7)
_cell_length_b 11.681(5)
_cell_length_c 25.664(11)
_cell_angle_alpha 90
_cell_angle_beta 114.77(2)
_cell_angle_gamma 90
_cell_formula_units_Z 2
loop_
_atom_type_symbol
_atom_type_radius_bond
C 0.68
H 0.23
Ag 1.47
Cl 0.99
N 0.68
O 0.68
P 1.05
loop_
_atom_site_label
_atom_site_type_symbol
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
Ag1 Ag 0.46383(5) 0.45323(5) 0.40771(2)
Ag2 Ag 0.67291(5) 0.45061(5) 0.51444(3)
P1 P 0.50698(16) 0.27201(16) 0.38262(8)
P2 P 0.74908(16) 0.29311(16) 0.48263(9)
N1 N 0.4571(5) 0.6197(4) 0.4384(2)
H1 H 0.41130 0.66320 0.40760
N2 N 0.6455(6) 0.6376(5) 0.5108(3)
N3 N 0.5298(6) 0.8009(6) 0.4676(3)
C1 C 0.3883(6) 0.1681(6) 0.3578(3)
C2 C 0.4041(6) 0.0548(7) 0.3743(3)
H2 H 0.47780 0.02720 0.39900
C3 C 0.3070(8) -0.0164(7) 0.3530(4)
H3 H 0.31630 -0.09250 0.36480
C4 C 0.2004(9) 0.0191(9) 0.3162(4)
H4 H 0.13790 -0.03230 0.30130
C5 C 0.1841(8) 0.1325(9) 0.3007(4)
H5 H 0.10980 0.15950 0.27630
C6 C 0.2796(7) 0.2059(8) 0.3219(3)
H6 H 0.26910 0.28260 0.31130
C7 C 0.5540(6) 0.2779(7) 0.3242(3)
C8 C 0.5658(7) 0.1786(7) 0.2989(3)
H7 H 0.54930 0.10780 0.31050
C9 C 0.6037(8) 0.1877(8) 0.2553(4)
H8 H 0.61410 0.12110 0.23800
C10 C 0.6257(9) 0.2894(9) 0.2370(4)
H9 H 0.64960 0.29250 0.20720
C11 C 0.6129(8) 0.3864(8) 0.2620(4)
H10 H 0.62850 0.45670 0.24970
C12 C 0.5762(6) 0.3815(7) 0.3065(3)
H11 H 0.56710 0.44840 0.32390
C13 C 0.8260(6) 0.3231(6) 0.4368(3)
C14 C 0.8383(6) 0.2436(7) 0.4008(3)
H12 H 0.80790 0.17030 0.39890
C15 C 0.8969(7) 0.2731(9) 0.3668(4)
H13 H 0.90300 0.22100 0.34080
C16 C 0.9454(7) 0.3805(10) 0.3725(4)
H14 H 0.98480 0.40070 0.35010
C17 C 0.9372(8) 0.4559(9) 0.4094(4)
H15 H 0.97500 0.52620 0.41400
C18 C 0.8731(7) 0.4318(7) 0.4412(4)
H16 H 0.86230 0.48690 0.46480
C19 C 0.8488(6) 0.1995(6) 0.5389(3)
C20 C 0.8817(6) 0.0946(7) 0.5263(3)
H17 H 0.85070 0.06810 0.48870
C21 C 0.9617(7) 0.0288(7) 0.5703(4)
H18 H 0.98640 -0.04130 0.56210
C22 C 1.0040(7) 0.0659(8) 0.6249(4)
H19 H 1.05660 0.02070 0.65440
C23 C 0.9695(8) 0.1704(9) 0.6373(4)
H20 H 1.00090 0.19640 0.67500
C24 C 0.8891(7) 0.2370(7) 0.5946(4)
H21 H 0.86270 0.30580 0.60330
C25 C 0.6264(5) 0.1987(6) 0.4400(3)
H22 H 0.65590 0.13830 0.42360
H23 H 0.59580 0.16320 0.46510
C26 C 0.5474(7) 0.6860(6) 0.4724(3)
C27 C 0.7316(7) 0.7053(7) 0.5448(3)
H24 H 0.80040 0.67190 0.57140
C28 C 0.7237(7) 0.8207(7) 0.5425(3)
H25 H 0.78450 0.86790 0.56630
C29 C 0.6191(8) 0.8628(7) 0.5023(4)
H26 H 0.61060 0.94190 0.49950
O1 O 0.2902(6) 0.4669(5) 0.1040(3)
N4 N 0.2658(7) 0.2938(8) 0.1335(4)
C30 C 0.2955(10) 0.4012(12) 0.1393(6)
H27 H 0.32490 0.42960 0.17650
C31 C 0.2113(15) 0.2512(10) 0.0783(6)
H28 H 0.20390 0.31100 0.05140
H29 H 0.13430 0.22310 0.07160
H30 H 0.25760 0.18990 0.07370
C32 C 0.2695(11) 0.2171(12) 0.1773(6)
H31 H 0.30350 0.25510 0.21380
H32 H 0.31670 0.15170 0.17800
H33 H 0.19090 0.19260 0.16960
Cl1 Cl 0.8230(2) 0.0343(2) 0.19247(11)
O2 O 0.8308(11) 0.1485(7) 0.1998(4)
O3 O 0.7316(7) -0.0039(7) 0.2055(4)
O4 O 0.9181(8) -0.0238(12) 0.2263(4)
O5 O 0.7991(6) 0.0034(6) 0.1361(2)
Ag1B Ag 0.53617(5) 0.54677(5) 0.59229(2)
Ag2B Ag 0.32709(5) 0.54939(5) 0.48556(3)
P1B P 0.49302(16) 0.72799(16) 0.61738(8)
P2B P 0.25092(16) 0.70689(16) 0.51737(9)
N1B N 0.5429(5) 0.3803(4) 0.5616(2)
H1B H 0.58870 0.33680 0.59240
N2B N 0.3545(6) 0.3624(5) 0.4892(3)
N3B N 0.4702(6) 0.1991(6) 0.5324(3)
C1B C 0.6117(6) 0.8319(6) 0.6422(3)
C2B C 0.5959(6) 0.9452(7) 0.6257(3)
H2B H 0.52220 0.97280 0.60100
C3B C 0.6930(8) 1.0164(7) 0.6470(4)
H3B H 0.68370 1.09250 0.63520
C4B C 0.7996(9) 0.9809(9) 0.6838(4)
H4B H 0.86210 1.03230 0.69870
C5B C 0.8159(8) 0.8675(9) 0.6993(4)
H5B H 0.89020 0.84050 0.72370
C6B C 0.7204(7) 0.7941(8) 0.6781(3)
H6B H 0.73090 0.71740 0.68870
C7B C 0.4460(6) 0.7221(7) 0.6758(3)
C8B C 0.4342(7) 0.8214(7) 0.7011(3)
H7B H 0.45070 0.89220 0.68950
C9B C 0.3963(8) 0.8123(8) 0.7447(4)
H8B H 0.38590 0.87890 0.76200
C10B C 0.3743(9) 0.7106(9) 0.7630(4)
H9B H 0.35040 0.70750 0.79280
C11B C 0.3871(8) 0.6136(8) 0.7380(4)
H10B H 0.37150 0.54330 0.75030
C12B C 0.4238(6) 0.6185(7) 0.6935(3)
H11B H 0.43290 0.55160 0.67610
C13B C 0.1740(6) 0.6769(6) 0.5632(3)
C14B C 0.1617(6) 0.7564(7) 0.5992(3)
H12B H 0.19210 0.82970 0.60110
C15B C 0.1031(7) 0.7269(9) 0.6332(4)
H13B H 0.09700 0.77900 0.65920
C16B C 0.0546(7) 0.6195(10) 0.6275(4)
H14B H 0.01520 0.59930 0.64990
C17B C 0.0628(8) 0.5441(9) 0.5906(4)
H15B H 0.02500 0.47380 0.58600
C18B C 0.1269(7) 0.5682(7) 0.5588(4)
H16B H 0.13770 0.51310 0.53520
C19B C 0.1512(6) 0.8005(6) 0.4611(3)
C20B C 0.1183(6) 0.9054(7) 0.4737(3)
H17B H 0.14930 0.93190 0.51130
C21B C 0.0383(7) 0.9712(7) 0.4297(4)
H18B H 0.01360 1.04130 0.43790
C22B C -0.0040(7) 0.9341(8) 0.3751(4)
H19B H -0.05660 0.97930 0.34560
C23B C 0.0305(8) 0.8296(9) 0.3627(4)
H20B H -0.00090 0.80360 0.32500
C24B C 0.1109(7) 0.7630(7) 0.4054(4)
H21B H 0.13730 0.69420 0.39670
C25B C 0.3736(5) 0.8013(6) 0.5600(3)
H22B H 0.34410 0.86170 0.57640
H23B H 0.40420 0.83680 0.53490
C26B C 0.4526(7) 0.3140(6) 0.5276(3)
C27B C 0.2684(7) 0.2947(7) 0.4552(3)
H24B H 0.19960 0.32810 0.42860
C28B C 0.2763(7) 0.1793(7) 0.4575(3)
H25B H 0.21550 0.13210 0.43370
C29B C 0.3809(8) 0.1372(7) 0.4977(4)
H26B H 0.38940 0.05810 0.50050
#END

data_CSD_CIF_KEXFEZ
_audit_creation_date 2007-03-22
_audit_creation_method CSD-ConQuest-V1
_database_code_CSD KEXFEZ
_database_code_depnum_ccdc_archive 'CCDC 636404'
_chemical_formula_sum 'C15 H11 Ag1 F3 N5 O3 S1'
_chemical_formula_moiety
;
(C14 H11 Ag1 N5 1+)n,n(C1 F3 O3 S1 1-)
;
_journal_coden_Cambridge 9
_journal_volume 45
_journal_year 2006
_journal_page_first 10605
_journal_name_full 'Inorg.Chem. '
loop_
_publ_author_name
"Ying-Nan Chi"
"Kun-Lin Huang"
"Feng-Yun Cui"
"Yan-Qing Xu"
"Chang-Wen Hu"
_chemical_name_systematic
;
catena-((μ₂-4,6-bis(2-Pyridyl)-2-aminopyrimidine-N,N',N'',N''')-silver(i) 
trifluoromethanesulfonate)
;
_cell_volume   3662.729
_exptl_crystal_colour 'yellow'
_exptl_crystal_density_diffrn 1.836
_exptl_crystal_description 'cubic'
_diffrn_ambient_temperature 293
_refine_special_details
;
One of the oxygen atoms and the fluorine atoms of the anion are disordered 
with occupancies 0.338:0.662.
;
#These two values have been output from a single CSD field.
_refine_ls_R_factor_gt 0.0429
_refine_ls_wR_factor_gt 0.0429
_symmetry_cell_setting orthorhombic
_symmetry_space_group_name_H-M 'P b c a'
_symmetry_Int_Tables_number 61
loop_
_symmetry_equiv_pos_site_id
_symmetry_equiv_pos_as_xyz
1 x,y,z
2 1/2-x,-y,1/2+z
3 -x,1/2+y,1/2-z
4 1/2+x,1/2-y,-z
5 -x,-y,-z
6 -1/2+x,y,-1/2-z
7 x,-1/2-y,-1/2+z
8 -1/2-x,-1/2+y,z
_cell_length_a 15.531(2)
_cell_length_b 13.370(2)
_cell_length_c 17.639(3)
_cell_angle_alpha 90
_cell_angle_beta 90
_cell_angle_gamma 90
_cell_formula_units_Z 8
loop_
_atom_type_symbol
_atom_type_radius_bond
C 0.68
H 0.23
Ag 1.59
F 0.64
N 0.68
O 0.68
S 1.02
loop_
_atom_site_label
_atom_site_type_symbol
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
Ag1 Ag 0.25455(3) 0.34366(3) 0.46470(3)
N1 N 0.1765(3) 0.1873(3) 0.4643(2)
N2 N 0.1723(3) 0.0081(3) 0.4698(2)
N3 N 0.2785(3) 0.0979(4) 0.5308(3)
H1 H 0.30310 0.15350 0.54220
H2 H 0.29960 0.04230 0.54680
N4 N 0.1251(3) 0.3620(4) 0.4000(3)
N5 N 0.1022(3) -0.1713(3) 0.4323(3)
F1? F 0.2477(12) 0.0885(16) 0.3110(12)
F2? F 0.2877(11) 0.2297(12) 0.2734(8)
F3 F 0.1485(6) 0.1724(9) 0.2557(7)
O1? O 0.280(2) 0.2418(14) 0.1626(13)
F4 F 0.2075(6) 0.0371(8) 0.2679(5)
F5 F 0.2792(7) 0.1581(8) 0.3077(5)
F6? F 0.1764(12) 0.2171(14) 0.2502(14)
O2 O 0.2849(10) 0.2321(8) 0.1290(6)
O3 O 0.2056(4) 0.0905(5) 0.1173(4)
O4 O 0.3525(3) 0.0819(4) 0.1684(3)
S1 S 0.27407(10) 0.13438(12) 0.15993(9)
C1 C 0.2066(3) 0.0979(4) 0.4876(3)
C2 C 0.0979(3) 0.0099(4) 0.4313(3)
C3 C 0.0606(3) 0.0985(4) 0.4084(3)
H3 H 0.00800 0.09880 0.38330
C4 C 0.1033(3) 0.1865(4) 0.4238(3)
C5 C 0.0714(3) 0.2847(4) 0.3948(3)
C6 C -0.0081(4) 0.2938(5) 0.3608(4)
H4 H -0.04530 0.23940 0.35880
C7 C -0.0319(5) 0.3842(5) 0.3298(5)
H5 H -0.08550 0.39160 0.30690
C8 C 0.0240(5) 0.4626(5) 0.3332(5)
H6 H 0.01000 0.52390 0.31140
C9 C 0.1007(5) 0.4495(5) 0.3690(5)
H7 H 0.13820 0.50360 0.37230
C10 C 0.0568(3) -0.0895(4) 0.4161(3)
C11 C -0.0268(3) -0.0957(4) 0.3888(3)
H8 H -0.05710 -0.03780 0.37680
C12 C -0.0642(4) -0.1876(5) 0.3795(4)
H9 H -0.11990 -0.19280 0.36060
C13 C -0.0192(4) -0.2713(5) 0.3983(4)
H10 H -0.04390 -0.33430 0.39370
C14 C 0.0637(4) -0.2603(5) 0.4242(4)
H11 H 0.09460 -0.31750 0.43680
C15 C 0.2320(6) 0.1395(8) 0.2518(6)
Ag1G Ag 0.24545(3) -0.15634(3) 0.46470(3)
N2G N 0.3277(3) 0.5081(3) 0.4698(2)
N5G N 0.3978(3) 0.3287(3) 0.4323(3)
#END

data_CSD_CIF_KEXFID
_audit_creation_date 2007-03-22
_audit_creation_method CSD-ConQuest-V1
_database_code_CSD KEXFID
_database_code_depnum_ccdc_archive 'CCDC 636405'
_chemical_formula_sum 'C28 H24 Ag2 N12 O7'
_chemical_formula_moiety
;
(C28 H22 Ag2 N10 2+)n,2n(N1 O3 1-),n(H2 O1)
;
_journal_coden_Cambridge 9
_journal_volume 45
_journal_year 2006
_journal_page_first 10605
_journal_name_full 'Inorg.Chem. '
loop_
_publ_author_name
"Ying-Nan Chi"
"Kun-Lin Huang"
"Feng-Yun Cui"
"Yan-Qing Xu"
"Chang-Wen Hu"
_chemical_name_systematic
;
catena-(bis(μ₂-4-(2-Pyridyl)-6-(4-pyridyl)-2-aminopyrimidine-N,N',N'')-di-s
ilver(i) dinitrate monohydrate)
;
_cell_volume   2951.219
_exptl_crystal_colour 'brown'
_exptl_crystal_density_diffrn 1.927
_exptl_crystal_description 'stick'
_diffrn_ambient_temperature 298
#These two values have been output from a single CSD field.
_refine_ls_R_factor_gt 0.0324
_refine_ls_wR_factor_gt 0.0324
_symmetry_cell_setting monoclinic
_symmetry_space_group_name_H-M 'C 2/c'
_symmetry_Int_Tables_number 15
loop_
_symmetry_equiv_pos_site_id
_symmetry_equiv_pos_as_xyz
1 x,y,z
2 1/2+x,1/2+y,z
3 -x,y,1/2-z
4 1/2-x,1/2+y,1/2-z
5 -x,-y,-z
6 -1/2-x,-1/2-y,-z
7 x,-y,-1/2+z
8 -1/2+x,-1/2-y,-1/2+z
_cell_length_a 11.2715(19)
_cell_length_b 19.707(3)
_cell_length_c 14.105(2)
_cell_angle_alpha 90
_cell_angle_beta 109.619(2)
_cell_angle_gamma 90
_cell_formula_units_Z 4
loop_
_atom_type_symbol
_atom_type_radius_bond
C 0.68
H 0.23
Ag 1.33
N 0.68
O 0.68
loop_
_atom_site_label
_atom_site_type_symbol
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
Ag1 Ag 0.42004(3) 0.356069(15) 0.13729(3)
N1 N 0.5178(3) 0.45205(14) 0.1215(2)
N2 N 0.7055(3) 0.51339(14) 0.1309(2)
N3 N 0.6985(3) 0.39729(15) 0.1199(3)
H1 H 0.77550 0.39790 0.12190
H2 H 0.65950 0.35930 0.11540
N4 N 0.2807(3) 0.44790(15) 0.1321(2)
N5 N 0.8495(3) 0.75606(15) 0.1539(3)
N6 N 0.5819(4) 0.2454(2) 0.9604(3)
O1 O 0.6195(4) 0.27317(18) 0.8979(3)
O2 O 0.5514(4) 0.18491(18) 0.9499(3)
O3 O 0.5698(4) 0.2773(2) 1.0312(3)
O4 O 1.00000 0.3598(3) 0.25000
C1 C 0.6392(3) 0.45541(18) 0.1239(3)
C2 C 0.6463(3) 0.57065(18) 0.1366(3)
C3 C 0.5214(3) 0.57228(18) 0.1309(3)
H3 H 0.48070 0.61320 0.13210
C4 C 0.4591(3) 0.51106(18) 0.1233(3)
C5 C 0.3243(3) 0.50873(18) 0.1194(3)
C6 C 0.2522(4) 0.5666(2) 0.1062(3)
H4 H 0.28430 0.60820 0.09530
C7 C 0.1316(4) 0.5618(2) 0.1094(3)
H5 H 0.08130 0.60030 0.10090
C8 C 0.0866(4) 0.4997(2) 0.1252(3)
H6 H 0.00630 0.49540 0.12930
C9 C 0.1625(4) 0.4444(2) 0.1347(3)
H7 H 0.13100 0.40220 0.14340
C10 C 0.8744(4) 0.7011(2) 0.1084(4)
H8 H 0.93610 0.70420 0.07830
C11 C 0.8130(4) 0.64007(18) 0.1037(3)
H9 H 0.83480 0.60280 0.07270
C12 C 0.7188(3) 0.63476(17) 0.1455(3)
C13 C 0.6943(4) 0.69125(19) 0.1937(3)
H10 H 0.63250 0.68960 0.22380
C14 C 0.7614(4) 0.7499(2) 0.1970(3)
H11 H 0.74450 0.78710 0.23090
H12 H 0.970(5) 0.3339(16) 0.1997(10)
Ag1A Ag -0.07996(3) -0.143931(15) 0.13729(3)
Ag1A* Ag 0.92004(3) 0.856069(15) 0.13729(3)
N1A N 0.0178(3) -0.04795(14) 0.1215(2)
N2A N 0.2055(3) 0.01339(14) 0.1309(2)
N3A N 0.1985(3) -0.10271(15) 0.1199(3)
H1A H 0.27550 -0.10210 0.12190
H2A H 0.15950 -0.14070 0.11540
N4A N -0.2193(3) -0.05210(15) 0.1321(2)
N5A N 0.3495(3) 0.25606(15) 0.1539(3)
N5* N -0.1505(3) -0.24394(15) 0.1539(3)
C1A C 0.1392(3) -0.04459(18) 0.1239(3)
C2A C 0.1463(3) 0.07065(18) 0.1366(3)
C3A C 0.0214(3) 0.07228(18) 0.1309(3)
H3A H -0.01930 0.11320 0.13210
C4A C -0.0409(3) 0.01106(18) 0.1233(3)
C5A C -0.1757(3) 0.00873(18) 0.1194(3)
C6A C -0.2478(4) 0.0666(2) 0.1062(3)
H4A H -0.21570 0.10820 0.09530
C7A C -0.3684(4) 0.0618(2) 0.1094(3)
H5A H -0.41870 0.10030 0.10090
C8A C -0.4134(4) -0.0003(2) 0.1252(3)
H6A H -0.49370 -0.00460 0.12930
C9A C -0.3375(4) -0.0556(2) 0.1347(3)
H7A H -0.36900 -0.09780 0.14340
C10A C 0.3744(4) 0.2011(2) 0.1084(4)
H8A H 0.43610 0.20420 0.07830
C11A C 0.3130(4) 0.14007(18) 0.1037(3)
H9A H 0.33480 0.10280 0.07270
C12A C 0.2188(3) 0.13476(17) 0.1455(3)
C13A C 0.1943(4) 0.19125(19) 0.1937(3)
H10A H 0.13250 0.18960 0.22380
C14A C 0.2614(4) 0.2499(2) 0.1970(3)
H11A H 0.24450 0.28710 0.23090
H12B H 1.030(5) 0.3339(16) 0.3003(10)
#END

data_CSD_CIF_KEXFOJ
_audit_creation_date 2007-03-22
_audit_creation_method CSD-ConQuest-V1
_database_code_CSD KEXFOJ
_database_code_depnum_ccdc_archive 'CCDC 636406'
_chemical_formula_sum 'C16 H13 Ag2 N7 O1 S2'
_chemical_formula_moiety
;
(C16 H11 Ag2 N7 S2)n,n(H2 O1)
;
_journal_coden_Cambridge 9
_journal_volume 45
_journal_year 2006
_journal_page_first 10605
_journal_name_full 'Inorg.Chem. '
loop_
_publ_author_name
"Ying-Nan Chi"
"Kun-Lin Huang"
"Feng-Yun Cui"
"Yan-Qing Xu"
"Chang-Wen Hu"
_chemical_name_systematic
;
catena-((μ₂-4,6-bis(2-Pyridyl)-2-aminopyrimidine-N,N',N'',N''')-bis(μ₂-t
hiocyanato-S,S)-di-silver(i) monohydrate)
;
_cell_volume    993.480
_exptl_crystal_colour 'yellow'
_exptl_crystal_density_diffrn 2.003
_exptl_crystal_description 'needle'
_diffrn_ambient_temperature 298
#These two values have been output from a single CSD field.
_refine_ls_R_factor_gt 0.0743
_refine_ls_wR_factor_gt 0.0743
_symmetry_cell_setting monoclinic
_symmetry_space_group_name_H-M 'P 2/c'
_symmetry_Int_Tables_number 13
loop_
_symmetry_equiv_pos_site_id
_symmetry_equiv_pos_as_xyz
1 x,y,z
2 -x,y,1/2-z
3 -x,-y,-z
4 x,-y,-1/2+z
_cell_length_a 4.006(5)
_cell_length_b 11.815(15)
_cell_length_c 21.03(3)
_cell_angle_alpha 90
_cell_angle_beta 93.53(2)
_cell_angle_gamma 90
_cell_formula_units_Z 2
loop_
_atom_type_symbol
_atom_type_radius_bond
C 0.68
H 0.23
Ag 1.59
N 0.68
O 0.68
S 1.02
loop_
_atom_site_label
_atom_site_type_symbol
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
Ag1 Ag 0.1747(3) 0.47020(9) 0.09995(5)
N1 N 0.337(2) 0.3834(7) 0.2009(4)
N2 N 0.50000 0.5505(10) 0.25000
H1 H 0.36120 0.59260 0.22620
N3 N 0.075(2) 0.2788(8) 0.0955(4)
N4 N -0.355(5) 0.7772(12) 0.1364(9)
O1 O 0.50000 0.9253(12) 0.25000
H2 H 0.53850 0.88160 0.21920
S1 S -0.3340(9) 0.5827(4) 0.06244(17)
C1 C 0.50000 0.4415(11) 0.25000
C2 C 0.50000 0.2097(13) 0.25000
H3 H 0.50000 0.13100 0.25000
C3 C 0.341(3) 0.2715(8) 0.1996(5)
C4 C 0.156(3) 0.2127(9) 0.1460(5)
C5 C 0.083(3) 0.0971(10) 0.1479(6)
H4 H 0.14850 0.05340 0.18330
C6 C -0.088(4) 0.0499(9) 0.0956(7)
H5 H -0.14010 -0.02680 0.09550
C7 C -0.185(3) 0.1160(12) 0.0432(6)
H6 H -0.30440 0.08600 0.00780
C8 C -0.092(3) 0.2306(12) 0.0461(6)
H7 H -0.15150 0.27590 0.01110
C9 C -0.342(4) 0.6970(11) 0.1075(8)
Ag1A Ag 0.8253(3) 0.47020(9) 0.40005(5)
Ag1* Ag -0.8253(3) 0.47020(9) 0.09995(5)
Ag1** Ag 1.1747(3) 0.47020(9) 0.09995(5)
N1A N 0.663(2) 0.3834(7) 0.2991(4)
H1A H 0.63880 0.59260 0.27380
N3A N 0.925(2) 0.2788(8) 0.4045(4)
N4* N 0.645(5) 0.7772(12) 0.1364(9)
H2A H 0.46150 0.88160 0.28080
S1* S 0.6660(9) 0.5827(4) 0.06244(17)
S1A S 0.3340(9) 0.5827(4) 0.43756(17)
S1A* S 1.3340(9) 0.5827(4) 0.43756(17)
C3A C 0.659(3) 0.2715(8) 0.3004(5)
C4A C 0.844(3) 0.2127(9) 0.3540(5)
C5A C 0.917(3) 0.0971(10) 0.3521(6)
H4A H 0.85150 0.05340 0.31670
C6A C 1.088(4) 0.0499(9) 0.4044(7)
H5A H 1.14010 -0.02680 0.40450
C7A C 1.185(3) 0.1160(12) 0.4568(6)
H6A H 1.30440 0.08600 0.49220
C8A C 1.092(3) 0.2306(12) 0.4539(6)
H7A H 1.15150 0.27590 0.48890
C9* C 0.658(4) 0.6970(11) 0.1075(8)
#END

data_CSD_CIF_KEXFUP
_audit_creation_date 2007-03-22
_audit_creation_method CSD-ConQuest-V1
_database_code_CSD KEXFUP
_database_code_depnum_ccdc_archive 'CCDC 636407'
_chemical_formula_sum 'C14 H11 Ag1 N6 O3'
_chemical_formula_moiety
;
(C14 H11 Ag1 N5 1+)n,n(N1 O3 1-)
;
_journal_coden_Cambridge 9
_journal_volume 45
_journal_year 2006
_journal_page_first 10605
_journal_name_full 'Inorg.Chem. '
loop_
_publ_author_name
"Ying-Nan Chi"
"Kun-Lin Huang"
"Feng-Yun Cui"
"Yan-Qing Xu"
"Chang-Wen Hu"
_chemical_name_systematic
;
catena-((μ₂-4,6-bis(2-Pyridyl)-2-aminopyrimidine-N,N',N'',N''')-silver(i) 
nitrate)
;
_cell_volume    734.004
_exptl_crystal_colour 'yellow'
_exptl_crystal_density_diffrn 1.897
_exptl_crystal_description 'cubic'
_diffrn_ambient_temperature 298
#These two values have been output from a single CSD field.
_refine_ls_R_factor_gt 0.0633
_refine_ls_wR_factor_gt 0.0633
_symmetry_cell_setting triclinic
_symmetry_space_group_name_H-M 'P -1'
_symmetry_Int_Tables_number 2
loop_
_symmetry_equiv_pos_site_id
_symmetry_equiv_pos_as_xyz
1 x,y,z
2 -x,-y,-z
_cell_length_a 8.091(9)
_cell_length_b 8.98(1)
_cell_length_c 10.786(12)
_cell_angle_alpha 96.802(14)
_cell_angle_beta 90.398(17)
_cell_angle_gamma 109.199(14)
_cell_formula_units_Z 2
loop_
_atom_type_symbol
_atom_type_radius_bond
C 0.68
H 0.23
Ag 1.61
N 0.68
O 0.68
loop_
_atom_site_label
_atom_site_type_symbol
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
Ag1 Ag 0.48047(11) 0.68927(9) 0.25349(7)
N1 N 0.5534(10) 0.4254(10) 0.1703(7)
N2 N 0.5309(9) 0.2817(9) -0.0343(7)
N3 N 0.761(1) 0.5087(10) 0.0249(8)
H1 H 0.81460 0.59130 0.07700
H2 H 0.80190 0.49540 -0.04740
N4 N 0.3548(11) 0.4909(10) 0.3639(8)
N5 N 0.3434(11) 0.0634(11) -0.2225(8)
N6 N 0.1079(11) 0.7609(11) 0.2559(8)
O1 O 0.2166(12) 0.8268(11) 0.3426(10)
O2 O 0.0938(12) 0.6240(11) 0.2089(9)
O3 O 0.0120(13) 0.8296(13) 0.2166(10)
C1 C 0.6128(11) 0.4001(11) 0.0567(9)
C2 C 0.3895(12) 0.1677(11) -0.0030(9)
C3 C 0.3270(12) 0.1745(12) 0.1174(9)
H3 H 0.23280 0.09240 0.14090
C4 C 0.4122(12) 0.3094(12) 0.2000(9)
C5 C 0.3404(12) 0.3406(12) 0.3247(9)
C6 C 0.2637(14) 0.2148(12) 0.3961(10)
H4 H 0.25780 0.11110 0.36800
C7 C 0.1980(14) 0.2520(13) 0.5092(10)
H5 H 0.14480 0.17180 0.55770
C8 C 0.2105(14) 0.4050(12) 0.5506(9)
H6 H 0.16740 0.43030 0.62700
C9 C 0.2888(14) 0.5217(14) 0.4761(10)
H7 H 0.29660 0.62590 0.50400
C10 C 0.3016(12) 0.0345(11) -0.1034(9)
C11 C 0.1854(14) -0.1083(12) -0.078(1)
H8 H 0.15720 -0.12440 0.00390
C12 C 0.1106(14) -0.2279(13) -0.1756(11)
H9 H 0.03160 -0.32470 -0.15970
C13 C 0.1541(14) -0.2023(12) -0.2952(10)
H10 H 0.10730 -0.28100 -0.36220
C14 C 0.2705(15) -0.0549(12) -0.3132(10)
H11 H 0.29980 -0.03750 -0.39470
Ag1A Ag 0.51953(11) 0.31073(9) -0.25349(7)
N2A N 0.4691(9) 0.7183(9) 0.0343(7)
N5A N 0.6566(11) 0.9366(11) 0.2225(8)
#END

data_CSD_CIF_LAFNIQ
_audit_creation_date 2005-02-01
_audit_creation_method CSD-ConQuest-V1
_database_code_CSD LAFNIQ
_database_code_depnum_ccdc_archive 'CCDC 250979'
_database_code_depnum_ccdc_journal 1267/1214
_chemical_formula_sum 'C16 H20 Ag1 As1 F6 N12'
_chemical_formula_moiety
;
C8 H10 Ag1 N6 1+,2(C4 H5 N3),As1 F6 1-
;
_journal_coden_Cambridge 1267
_journal_volume 219
_journal_year 2004
_journal_page_first 157
_journal_name_full 'Z.Kristallogr.-New Cryst.Struct. '
loop_
_publ_author_name
"Hai-Lang Yang"
"Song Yang"
"Xiao-Yang Qiu"
"Si-Chang Shao"
"Ji-Long Ma"
"Lin Sun"
"Hai-Liang Zhu"
_chemical_name_systematic
;
bis(2-Aminopyrimidine)-silver(i) bis(2-aminopyrimidine) hexafluoroarsenate
;
_cell_volume    607.095
_exptl_crystal_colour 'colorless'
_exptl_crystal_density_diffrn 1.852
_exptl_crystal_description 'block'
_diffrn_ambient_temperature 293
#These two values have been output from a single CSD field.
_refine_ls_R_factor_gt 0.0436
_refine_ls_wR_factor_gt 0.0436
_symmetry_cell_setting triclinic
_symmetry_space_group_name_H-M 'P -1'
_symmetry_Int_Tables_number 2
loop_
_symmetry_equiv_pos_site_id
_symmetry_equiv_pos_as_xyz
1 x,y,z
2 -x,-y,-z
_cell_length_a 7.004(1)
_cell_length_b 8.696(2)
_cell_length_c 11.006(2)
_cell_angle_alpha 68.95(3)
_cell_angle_beta 76.49(3)
_cell_angle_gamma 81.90(3)
_cell_formula_units_Z 1
loop_
_atom_type_symbol
_atom_type_radius_bond
C 0.68
H 0.23
Ag 1.59
As 1.21
F 0.64
N 0.68
loop_
_atom_site_label
_atom_site_type_symbol
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
Ag1 Ag 0.00000 0.00000 0.00000
N1 N 0.1230(5) -0.2352(3) 0.0996(3)
N2 N 0.2463(5) -0.5107(4) 0.1148(3)
N3 N 0.1792(6) -0.3261(4) -0.0812(3)
H1 H 0.13710 -0.22550 -0.13090
H2 H 0.21860 -0.40600 -0.11730
C1 C 0.1293(6) -0.2735(5) 0.2282(4)
H3 H 0.09040 -0.18940 0.26820
C2 C 0.1884(7) -0.4261(5) 0.3041(4)
H4 H 0.18930 -0.45210 0.39640
C3 C 0.1831(6) -0.3568(4) 0.0463(4)
C4 C 0.2463(7) -0.5411(5) 0.2422(4)
H5 H 0.28950 -0.64990 0.29360
As1 As 0.00000 0.00000 0.50000
F1 F 0.0840(6) -0.1951(3) 0.5041(3)
F2 F 0.2311(6) 0.0553(5) 0.4754(4)
F3 F 0.0213(7) 0.0598(4) 0.3325(3)
N4 N 0.4259(5) 0.1123(4) 0.8356(3)
N5 N 0.3048(5) 0.3924(4) 0.8098(3)
N6 N 0.3542(6) 0.2058(4) 1.0119(3)
H6 H 0.31060 0.28590 1.04740
H7 H 0.39150 0.10470 1.06350
C5 C 0.3635(6) 0.2372(4) 0.8828(4)
C6 C 0.3753(7) 0.2994(6) 0.6249(4)
H8 H 0.38050 0.32080 0.53240
C7 C 0.4313(7) 0.1450(5) 0.7081(4)
H9 H 0.47570 0.05830 0.67140
C8 C 0.3126(7) 0.4189(5) 0.6813(4)
H10 H 0.27240 0.52660 0.62630
N1A N -0.1230(5) 0.2352(3) -0.0996(3)
C1A C -0.1293(6) 0.2735(5) -0.2282(4)
H3A H -0.09040 0.18940 -0.26820
C2A C -0.1884(7) 0.4261(5) -0.3041(4)
H4A H -0.18930 0.45210 -0.39640
C4A C -0.2463(7) 0.5411(5) -0.2422(4)
N2A N -0.2463(5) 0.5107(4) -0.1148(3)
C3A C -0.1831(6) 0.3568(4) -0.0463(4)
N3A N -0.1792(6) 0.3261(4) 0.0812(3)
H1A H -0.13710 0.22550 0.13090
H2A H -0.21860 0.40600 0.11730
H5A H -0.28950 0.64990 -0.29360
F1A F -0.0840(6) 0.1951(3) 0.4959(3)
F2A F -0.2311(6) -0.0553(5) 0.5246(4)
F3A F -0.0213(7) -0.0598(4) 0.6675(3)
#END

data_CSD_CIF_LALDIN
_audit_creation_date 2011-03-21
_audit_creation_method CSD-ConQuest-V1
_database_code_CSD LALDIN
_database_code_depnum_ccdc_archive 'CCDC 769616'
_chemical_formula_sum 'C16 H24 Ag2 N6 O5'
_chemical_formula_moiety
;
(C16 H22 Ag2 N6 O4)n,n(H2 O1)
;
_journal_coden_Cambridge 1350
_journal_volume 12
_journal_year 2010
_journal_page_first 4161
_journal_name_full 'CrystEngComm '
loop_
_publ_author_name
"Di Sun"
"Qin-Juan Xu"
"Chun-Yin Ma"
"Na Zhang"
"Rong-Bin Huang"
"Lan-Sun Zheng"
_chemical_name_systematic
;
catena-(bis(μ₂-2-Amino-4,6-dimethylpyrimidine)-(μ₂-succinato-O,O')-di-si
lver(i) monohydrate)
;
_cell_volume   2143.941
_exptl_crystal_density_diffrn 1.844
_diffrn_ambient_temperature 298
#These two values have been output from a single CSD field.
_refine_ls_R_factor_gt 0.0593
_refine_ls_wR_factor_gt 0.0593
_symmetry_cell_setting monoclinic
_symmetry_space_group_name_H-M 'C 2/c'
_symmetry_Int_Tables_number 15
loop_
_symmetry_equiv_pos_site_id
_symmetry_equiv_pos_as_xyz
1 x,y,z
2 -x,y,1/2-z
3 1/2+x,1/2+y,z
4 1/2-x,1/2+y,1/2-z
5 -x,-y,-z
6 x,-y,-1/2+z
7 -1/2-x,-1/2-y,-z
8 -1/2+x,-1/2-y,-1/2+z
_cell_length_a 12.502(3)
_cell_length_b 20.211(4)
_cell_length_c 9.1833(18)
_cell_angle_alpha 90
_cell_angle_beta 112.49(3)
_cell_angle_gamma 90
_cell_formula_units_Z 4
loop_
_atom_type_symbol
_atom_type_radius_bond
C 0.68
H 0.23
Ag 1.43
N 0.68
O 0.68
loop_
_atom_site_label
_atom_site_type_symbol
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
Ag1 Ag -0.50000 0.21586(5) -0.25000
Ag2 Ag 0.00000 0.12200(5) 0.25000
C1 C -0.2561(7) 0.1392(4) 0.0162(9)
C2 C -0.4222(7) 0.1016(4) 0.0400(11)
C3 C -0.3555(8) 0.0636(4) 0.165(1)
H1 H -0.39060 0.03650 0.21570
C4 C -0.2375(7) 0.0652(4) 0.2156(9)
C5 C -0.1605(8) 0.0246(5) 0.3531(10)
H2 H -0.11090 -0.00270 0.32050
H3 H -0.20730 -0.00280 0.39040
H4 H -0.11420 0.05360 0.43620
C6 C -0.5515(8) 0.1032(5) -0.0167(14)
H5 H -0.58430 0.10290 -0.12990
H6 H -0.57520 0.14260 0.02110
H7 H -0.57800 0.06500 0.02220
C7 C -0.2988(7) 0.2743(4) -0.5334(10)
H8 H -0.34580 0.26080 -0.64020
H9 H -0.26600 0.31720 -0.53950
C8 C -0.3782(7) 0.2825(4) -0.4432(9)
N1 N -0.2066(5) 0.1749(3) -0.0618(7)
H10 H -0.13250 0.17510 -0.03200
H11 H -0.24860 0.19780 -0.14220
N2 N -0.3737(5) 0.1406(3) -0.0373(7)
N3 N -0.1866(5) 0.1038(3) 0.1425(6)
O1 O -0.3544(4) 0.2493(3) -0.3191(6)
O2 O 0.00000 0.0916(5) 0.75000
H12 H -0.01220 0.11620 0.67020
O3 O -0.4611(5) 0.3209(3) -0.4977(6)
Ag1F Ag 0.00000 0.28414(5) -0.75000
Ag1* Ag 0.50000 0.21586(5) 0.75000
C1A C 0.2561(7) 0.1392(4) 0.4838(9)
C2A C 0.4222(7) 0.1016(4) 0.4600(11)
C3A C 0.3555(8) 0.0636(4) 0.335(1)
H1A H 0.39060 0.03650 0.28430
C4A C 0.2375(7) 0.0652(4) 0.2844(9)
C5A C 0.1605(8) 0.0246(5) 0.1469(10)
H2A H 0.11090 -0.00270 0.17950
H3A H 0.20730 -0.00280 0.10960
H4A H 0.11420 0.05360 0.06380
C6A C 0.5515(8) 0.1032(5) 0.5167(14)
H5A H 0.58430 0.10290 0.62990
H6A H 0.57520 0.14260 0.47890
H7A H 0.57800 0.06500 0.47780
C7F C -0.2012(7) 0.2257(4) -0.4666(10)
H8F H -0.15420 0.23920 -0.35980
H9F H -0.23400 0.18280 -0.46050
C8F C -0.1218(7) 0.2175(4) -0.5568(9)
N1A N 0.2066(5) 0.1749(3) 0.5618(7)
H10A H 0.13250 0.17510 0.53200
H11A H 0.24860 0.19780 0.64220
N2A N -0.6263(5) 0.1406(3) -0.4627(7)
N2A* N 0.3737(5) 0.1406(3) 0.5373(7)
N3A N 0.1866(5) 0.1038(3) 0.3575(6)
O1F O -0.1456(4) 0.2507(3) -0.6809(6)
O1A O -0.6456(4) 0.2493(3) -0.1809(6)
H12A H 0.01220 0.11620 0.82980
O3F O -0.0389(5) 0.1791(3) -0.5023(6)
#END

data_CSD_CIF_LALDOT
_audit_creation_date 2011-03-21
_audit_creation_method CSD-ConQuest-V1
_database_code_CSD LALDOT
_database_code_depnum_ccdc_archive 'CCDC 769617'
_chemical_formula_sum 'C20 H26 Ag2 N6 O6'
_chemical_formula_moiety
;
(C20 H22 Ag2 N6 O4)n,2n(H2 O1)
;
_journal_coden_Cambridge 1350
_journal_volume 12
_journal_year 2010
_journal_page_first 4161
_journal_name_full 'CrystEngComm '
loop_
_publ_author_name
"Di Sun"
"Qin-Juan Xu"
"Chun-Yin Ma"
"Na Zhang"
"Rong-Bin Huang"
"Lan-Sun Zheng"
_chemical_name_systematic
;
catena-(bis(μ₂-2-Amino-4,6-dimethylpyrimidine)-(μ₂-benzene-1,3-dicarboxy
lato)-di-silver(i) dihydrate)
;
_cell_volume   2372.567
_exptl_crystal_colour 'colorless'
_exptl_crystal_density_diffrn 1.854
_exptl_crystal_description 'block'
_diffrn_ambient_temperature 298
#These two values have been output from a single CSD field.
_refine_ls_R_factor_gt 0.0353
_refine_ls_wR_factor_gt 0.0353
_symmetry_cell_setting monoclinic
_symmetry_space_group_name_H-M 'P 21/n'
_symmetry_Int_Tables_number 14
loop_
_symmetry_equiv_pos_site_id
_symmetry_equiv_pos_as_xyz
1 x,y,z
2 1/2-x,1/2+y,1/2-z
3 -x,-y,-z
4 -1/2+x,-1/2-y,-1/2+z
_cell_length_a 11.699(2)
_cell_length_b 11.427(2)
_cell_length_c 18.680(4)
_cell_angle_alpha 90
_cell_angle_beta 108.18(3)
_cell_angle_gamma 90
_cell_formula_units_Z 4
loop_
_atom_type_symbol
_atom_type_radius_bond
C 0.68
H 0.23
Ag 1.49
N 0.68
O 0.68
loop_
_atom_site_label
_atom_site_type_symbol
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
Ag1 Ag 0.23521(2) 0.22753(3) 0.488162(18)
Ag2 Ag -0.26841(3) 0.45595(3) 0.497780(17)
C1 C -0.0268(3) 0.2920(4) 0.4870(2)
C2 C -0.2048(3) 0.2230(4) 0.4049(2)
C3 C -0.1448(4) 0.1315(4) 0.3855(2)
H1 H -0.18640 0.07380 0.35240
C4 C -0.0200(3) 0.1269(4) 0.4164(2)
C5 C 0.0533(4) 0.0309(5) 0.3960(3)
H2 H 0.09790 -0.01030 0.44080
H3 H 0.10810 0.06470 0.37280
H4 H 0.00050 -0.02250 0.36150
C6 C -0.3380(3) 0.2407(4) 0.3686(2)
H5 H -0.37930 0.22330 0.40440
H6 H -0.36640 0.18950 0.32600
H7 H -0.35320 0.32040 0.35230
C7 C 0.4987(3) 0.3066(4) 0.5028(2)
C8 C 0.4909(3) 0.1374(4) 0.5684(2)
C9 C 0.6128(3) 0.1469(4) 0.6048(2)
H8 H 0.65330 0.08960 0.63860
C10 C 0.6734(3) 0.2425(4) 0.5902(2)
C11 C 0.8041(4) 0.2630(5) 0.6330(2)
H9 H 0.85160 0.25210 0.59980
H10 H 0.82950 0.20860 0.67400
H11 H 0.81440 0.34150 0.65230
C12 C 0.4201(4) 0.0354(4) 0.5821(3)
H12 H 0.37320 0.00260 0.53470
H13 H 0.36750 0.06110 0.60940
H14 H 0.47410 -0.02290 0.61090
C13 C 0.0084(3) 0.6489(4) 0.70642(19)
C14 C 0.1153(3) 0.5919(4) 0.7087(2)
H15 H 0.11420 0.52860 0.67730
C15 C 0.2239(3) 0.6317(4) 0.7589(2)
H16 H 0.29540 0.59450 0.76050
C16 C 0.2265(3) 0.7254(4) 0.8062(2)
H17 H 0.29940 0.75070 0.83930
C17 C 0.1196(3) 0.7825(4) 0.80420(19)
C18 C 0.0115(3) 0.7432(4) 0.75399(19)
H18 H -0.05990 0.78070 0.75230
C19 C -0.1092(3) 0.6117(4) 0.6483(2)
C20 C 0.1227(3) 0.8841(4) 0.8572(2)
N1 N 0.0397(3) 0.2081(3) 0.46600(18)
N2 N 0.0285(3) 0.3661(3) 0.54144(18)
H19 H -0.01230 0.41840 0.55600
H20 H 0.10510 0.36190 0.56220
N3 N -0.1480(3) 0.3026(3) 0.45622(17)
N4 N 0.4325(3) 0.2193(3) 0.51873(18)
N5 N 0.4422(3) 0.3841(3) 0.44972(18)
H21 H 0.36630 0.37730 0.42700
H22 H 0.48190 0.44060 0.43830
N6 N 0.6183(2) 0.3215(3) 0.53758(17)
O1 O -0.1037(2) 0.5380(3) 0.60092(15)
O2 O 0.6877(3) 0.5167(4) 0.7423(2)
H23 H 0.72000 0.55860 0.71640
H24 H 0.61990 0.49310 0.71370
O3 O -0.2041(2) 0.6593(3) 0.65114(17)
O4 O 0.8473(5) 0.3543(6) 0.8290(3)
H25 H 0.79930 0.40500 0.80250
H26 H 0.80620 0.29630 0.83560
O5 O 0.2222(2) 0.9023(3) 0.90829(15)
O6 O 0.0306(2) 0.9422(3) 0.85094(16)
Ag2* Ag 0.73159(3) 0.45595(3) 0.497780(17)
Ag2C Ag 0.23159(3) 1.04405(3) 0.997780(17)
N6* N -0.3817(2) 0.3215(3) 0.53758(17)
O5C O -0.2778(2) 0.5977(3) 0.40829(15)
#END

data_CSD_CIF_LURCOR
_audit_creation_date 2010-10-28
_audit_creation_method CSD-ConQuest-V1
_database_code_CSD LURCOR
_database_code_depnum_ccdc_archive 'CCDC 745931'
_chemical_formula_sum 'C36 H32 Ag8 N12 O20'
_chemical_formula_moiety
;
(C36 H24 Ag8 N12 O16)n,4n(H2 O1)
;
_journal_coden_Cambridge 580
_journal_volume 29
_journal_year 2010
_journal_page_first 1842
_journal_name_full 'Polyhedron '
loop_
_publ_author_name
"Di Sun"
"Na Zhang"
"Geng-Geng Luo"
"Qin-Juan Xu"
"Rong-Bin Huang"
"Lan-Sun Zheng"
_chemical_name_systematic
;
catena-((μ₁₀-Benzene-1,2,4,5-tetracarboxylato)-(μ₈-benzene-1,2,4,5-tetra
carboxylato)-tetrakis(μ₂-2-aminopyrimidine)-octa-silver tetrahydrate)
;
_cell_volume   1108.059
_exptl_crystal_colour 'colorless'
_exptl_crystal_density_diffrn 2.721
_exptl_crystal_description 'block'
_diffrn_ambient_temperature 298
#These two values have been output from a single CSD field.
_refine_ls_R_factor_gt 0.0339
_refine_ls_wR_factor_gt 0.0339
_symmetry_cell_setting triclinic
_symmetry_space_group_name_H-M 'P -1'
_symmetry_Int_Tables_number 2
loop_
_symmetry_equiv_pos_site_id
_symmetry_equiv_pos_as_xyz
1 x,y,z
2 -x,-y,-z
_cell_length_a 6.8551(14)
_cell_length_b 10.298(2)
_cell_length_c 16.242(3)
_cell_angle_alpha 89.25(3)
_cell_angle_beta 78.22(3)
_cell_angle_gamma 80.89(3)
_cell_formula_units_Z 1
loop_
_atom_type_symbol
_atom_type_radius_bond
C 0.68
H 0.23
Ag 1.35
N 0.73
O 0.87
loop_
_atom_site_label
_atom_site_type_symbol
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
Ag1 Ag 0.82175(6) 0.06196(4) 0.30794(2)
Ag2 Ag 0.78211(6) 0.30151(4) 0.21384(2)
Ag3 Ag 0.62406(7) -0.19674(4) 0.67141(2)
Ag4 Ag 1.24537(6) 0.42095(4) 0.14316(2)
C1 C 0.7560(7) 0.4727(5) 0.0403(3)
C2 C 0.5683(7) 0.6765(5) 0.0336(3)
H1 H 0.51500 0.74440 0.00240
C3 C 0.5233(9) 0.6891(5) 0.1197(3)
H2 H 0.44200 0.76340 0.14700
C4 C 0.6034(8) 0.5874(5) 0.1633(3)
H3 H 0.57820 0.59400 0.22170
C5 C 0.7124(6) -0.0974(4) 0.4843(3)
C6 C 0.5947(7) -0.2947(5) 0.5008(3)
H4 H 0.54710 -0.36050 0.53540
C7 C 0.6114(7) -0.3089(5) 0.4162(3)
H5 H 0.57820 -0.38220 0.39270
C8 C 0.6804(7) -0.2084(5) 0.3672(3)
H6 H 0.69080 -0.21380 0.30930
C9 C 1.1374(7) 0.5226(5) 0.3196(3)
C10 C 1.0616(6) 0.5117(4) 0.4129(3)
C11 C 0.9478(6) 0.4140(4) 0.4448(3)
C12 C 1.1095(6) 0.5971(4) 0.4683(3)
H7 H 1.18170 0.66350 0.44690
C13 C 0.8749(7) 0.3261(5) 0.3880(3)
C14 C 0.6925(6) -0.0159(4) 0.0152(3)
H8 H 0.82240 -0.02760 0.02580
C15 C 0.5296(6) 0.0292(4) 0.0799(3)
C16 C 0.6653(6) -0.0437(4) -0.0646(3)
C17 C 0.5697(7) 0.0666(5) 0.1631(3)
C18 C 0.8483(6) -0.0901(4) -0.1328(3)
N1 N 0.8672(6) 0.3648(4) 0.0024(3)
H9 H 0.91210 0.30120 0.03180
H10 H 0.89450 0.35820 -0.05160
N2 N 0.7172(6) 0.4782(4) 0.1253(2)
N3 N 0.6847(6) 0.5719(4) -0.0072(2)
N4 N 0.7608(6) 0.0079(4) 0.5160(2)
H11 H 0.80290 0.06840 0.48320
H12 H 0.75020 0.01590 0.56950
N5 N 0.7322(6) -0.1048(4) 0.3993(2)
N6 N 0.6428(5) -0.1915(4) 0.5370(2)
O1 O 0.2648(7) 0.8772(4) 0.3207(3)
H13 H 0.26270 0.91830 0.27510
H14 H 0.24960 0.79820 0.31320
O2 O 0.7578(5) 0.3819(3) 0.3434(2)
O3 O 0.9822(8) 0.7464(5) 0.1587(3)
H15 H 1.03120 0.71400 0.19990
H16 H 0.92390 0.82570 0.16750
O4 O 0.9312(6) 0.2051(3) 0.3909(2)
O5 O 1.1843(5) 0.4152(3) 0.27763(19)
O6 O 1.1528(7) 0.6323(4) 0.2902(2)
O7 O 0.6853(5) -0.0110(4) 0.1971(2)
O8 O 0.4834(5) 0.1793(3) 0.1918(2)
O9 O 0.8631(5) -0.0368(4) -0.2017(2)
O10 O 0.9738(6) -0.1809(4) -0.1141(2)
Ag1A Ag 1.17825(6) 0.93804(4) 0.69206(2)
Ag1A* Ag 1.17825(6) -0.06196(4) -0.30794(2)
Ag1A** Ag 0.17825(6) -0.06196(4) -0.30794(2)
Ag1* Ag -0.17825(6) 0.06196(4) 0.30794(2)
Ag2A Ag 1.21789(6) 0.69849(4) 0.78616(2)
Ag2A* Ag 1.21789(6) -0.30151(4) -0.21384(2)
Ag2A** Ag 0.21789(6) -0.30151(4) -0.21384(2)
Ag2* Ag -0.21789(6) 0.30151(4) 0.21384(2)
Ag2A*** Ag 1.21789(6) 0.69849(4) -0.21384(2)
Ag3A Ag 1.37594(7) 0.19674(4) 0.32859(2)
Ag3A* Ag 0.37594(7) 0.19674(4) 0.32859(2)
Ag3* Ag 0.62406(7) 0.80326(4) 0.67141(2)
Ag3** Ag 0.62406(7) -0.19674(4) -0.32859(2)
Ag3A** Ag 1.37594(7) 1.19674(4) 0.32859(2)
Ag4A Ag 0.75463(6) 0.57905(4) 0.85684(2)
Ag4A* Ag 0.75463(6) 0.57905(4) -0.14316(2)
C1A C 1.2440(7) 0.5273(5) -0.0403(3)
C2A C 1.4317(7) 0.3235(5) -0.0336(3)
H1A H 1.48500 0.25560 -0.00240
C3A C 1.4767(9) 0.3109(5) -0.1197(3)
H2A H 1.55800 0.23660 -0.14700
C4A C 1.3966(8) 0.4126(5) -0.1633(3)
H3A H 1.42180 0.40600 -0.22170
C5A C 1.2876(6) 1.0974(4) 0.5157(3)
C6A C 1.4053(7) 1.2947(5) 0.4992(3)
H4A H 1.45290 1.36050 0.46460
C7A C 1.3886(7) 1.3089(5) 0.5838(3)
H5A H 1.42180 1.38220 0.60730
C8A C 1.3196(7) 1.2084(5) 0.6328(3)
H6A H 1.30920 1.21380 0.69070
C9A C 0.8626(7) 0.4774(5) 0.6804(3)
C10A C 0.9384(6) 0.4883(4) 0.5871(3)
C11A C 1.0522(6) 0.5860(4) 0.5552(3)
C12A C 0.8905(6) 0.4029(4) 0.5317(3)
H7A H 0.81830 0.33650 0.55310
C13A C 1.1251(7) 0.6739(5) 0.6120(3)
C14A C 0.3075(6) 0.0159(4) -0.0152(3)
H8A H 0.17760 0.02760 -0.02580
C15A C 0.4704(6) -0.0292(4) -0.0799(3)
C16A C 0.3347(6) 0.0437(4) 0.0646(3)
C17A C 0.4303(7) -0.0666(5) -0.1631(3)
C18A C 0.1517(6) 0.0901(4) 0.1328(3)
N1A N 1.1328(6) 0.6352(4) -0.0024(3)
H9A H 1.08790 0.69880 -0.03180
H10A H 1.10550 0.64180 0.05160
N2A N 1.2828(6) 0.5218(4) -0.1253(2)
N2A* N 1.2828(6) 0.5218(4) 0.8747(2)
N3A N 1.3153(6) 0.4281(4) 0.0072(2)
N3* N 0.6847(6) 0.5719(4) 0.9928(2)
N4A N 1.2392(6) 0.9921(4) 0.4840(2)
H11A H 1.19710 0.93160 0.51680
H12A H 1.24980 0.98410 0.43050
N5A N 1.2678(6) 1.1048(4) 0.6007(2)
N6A N 1.3572(5) 1.1915(4) 0.4630(2)
N6A* N 1.3572(5) 0.1915(4) 0.4630(2)
O2A O 1.2422(5) 0.6181(3) 0.6566(2)
O4A O 1.0688(6) 0.7949(3) 0.6091(2)
O5A O 0.8157(5) 0.5848(3) 0.72237(19)
O5A* O 0.8157(5) -0.4152(3) 0.72237(19)
O6A O 0.8472(7) 0.3677(4) 0.7098(2)
O7A O 0.3147(5) 0.0110(4) -0.1971(2)
O7A* O 1.3147(5) 1.0110(4) 0.8029(2)
O8A O 0.5166(5) -0.1793(3) -0.1918(2)
O8A* O 0.5166(5) -0.1793(3) 0.8082(2)
O8A** O 1.5166(5) 0.8207(3) 0.8082(2)
O8* O 1.4834(5) 0.1793(3) 0.1918(2)
O9A O 0.1369(5) 0.0368(4) 0.2017(2)
O9A* O 1.1369(5) 0.0368(4) 0.2017(2)
O9* O 0.8631(5) 0.9632(4) 0.7983(2)
O10A O 0.0262(6) 0.1809(4) 0.1141(2)
O10A* O 1.0262(6) 0.1809(4) 0.1141(2)
O10* O 0.9738(6) 0.8191(4) 0.8859(2)
#END

data_CSD_CIF_LURCUX
_audit_creation_date 2010-10-28
_audit_creation_method CSD-ConQuest-V1
_database_code_CSD LURCUX
_database_code_depnum_ccdc_archive 'CCDC 745932'
_chemical_formula_sum 'C34 H54 Ag4 N12 O16'
_chemical_formula_moiety
;
(C34 H42 Ag4 N12 O10)n,6n(H2 O1)
;
_journal_coden_Cambridge 580
_journal_volume 29
_journal_year 2010
_journal_page_first 1842
_journal_name_full 'Polyhedron '
loop_
_publ_author_name
"Di Sun"
"Na Zhang"
"Geng-Geng Luo"
"Qin-Juan Xu"
"Rong-Bin Huang"
"Lan-Sun Zheng"
_chemical_name_systematic
;
catena-((μ₆-Benzene-1,2,4,5-tetracarboxylato)-tetrakis(μ₂-4,6-dimethyl-2
-aminopyrimidine)-diaqua-tetra-silver hexahydrate)
;
_cell_volume   1224.599
_exptl_crystal_colour 'colorless'
_exptl_crystal_density_diffrn 1.788
_exptl_crystal_description 'plate'
_diffrn_ambient_temperature 293
#These two values have been output from a single CSD field.
_refine_ls_R_factor_gt 0.0472
_refine_ls_wR_factor_gt 0.0472
_symmetry_cell_setting triclinic
_symmetry_space_group_name_H-M 'P -1'
_symmetry_Int_Tables_number 2
loop_
_symmetry_equiv_pos_site_id
_symmetry_equiv_pos_as_xyz
1 x,y,z
2 -x,-y,-z
_cell_length_a 10.196(2)
_cell_length_b 10.627(2)
_cell_length_c 13.624(3)
_cell_angle_alpha 71.10(3)
_cell_angle_beta 84.47(3)
_cell_angle_gamma 61.52(3)
_cell_formula_units_Z 1
loop_
_atom_type_symbol
_atom_type_radius_bond
C 0.68
H 0.23
Ag 1.52
N 0.68
O 0.88
loop_
_atom_site_label
_atom_site_type_symbol
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
Ag1 Ag -0.45562(4) 0.35995(5) 0.22346(3)
Ag2 Ag -0.67286(5) 0.90803(5) -0.13521(3)
C1 C -0.2385(5) 0.1736(6) 0.4357(4)
C2 C -0.3024(6) 0.1541(7) 0.6051(4)
C3 C -0.4497(7) 0.2654(7) 0.5669(4)
H1 H -0.52330 0.29650 0.61250
C4 C -0.4835(6) 0.3279(6) 0.4601(4)
C5 C -0.2578(8) 0.0815(8) 0.7199(4)
H2 H -0.18440 0.10480 0.73700
H3 H -0.21630 -0.02590 0.73750
H4 H -0.34420 0.11940 0.75830
C6 C -0.6376(6) 0.4482(8) 0.4133(5)
H5 H -0.63340 0.53800 0.37100
H6 H -0.70320 0.47010 0.46790
H7 H -0.67460 0.41340 0.37120
C7 C -0.6516(6) 1.0503(6) -0.3720(4)
C8 C -0.8448(6) 1.2303(7) -0.4973(4)
C9 C -0.9363(7) 1.2705(7) -0.4191(5)
H8 H -1.03360 1.34960 -0.43490
C10 C -0.8800(6) 1.1904(7) -0.3164(4)
C11 C -0.9005(7) 1.3036(8) -0.6106(4)
H9 H -0.81870 1.30110 -0.65270
H10 H -0.94260 1.24980 -0.62910
H11 H -0.97580 1.40650 -0.62200
C12 C -0.9744(7) 1.2253(9) -0.2269(5)
H12 H -0.92830 1.25320 -0.18530
H13 H -1.07230 1.30720 -0.25340
H14 H -0.98260 1.13770 -0.18490
C13 C -0.0970(5) 0.4404(5) 0.0447(3)
C14 C -0.1413(5) 0.5591(5) -0.0512(3)
C15 C 0.0440(5) 0.3822(6) 0.0930(3)
H15 H 0.07380 0.30210 0.15480
C16 C -0.2904(5) 0.6266(6) -0.1122(3)
C17 C -0.1997(5) 0.3806(6) 0.1017(3)
N1 N -0.1307(5) 0.1234(6) 0.3722(3)
H16 H -0.15080 0.15860 0.30600
H17 H -0.04150 0.05610 0.39770
N2 N -0.1960(5) 0.1094(5) 0.5396(3)
N3 N -0.3782(5) 0.2799(5) 0.3933(3)
N4 N -0.5077(5) 0.9461(5) -0.3514(4)
H18 H -0.47210 0.89610 -0.28800
H19 H -0.45070 0.92910 -0.40150
N5 N -0.7006(5) 1.1234(5) -0.4750(4)
N6 N -0.7385(5) 1.0746(5) -0.2916(3)
O1 O -0.1483(4) 0.2397(4) 0.1440(3)
O2 O -0.6379(5) 0.7592(6) 0.0250(3)
H20 H -0.64290 0.68120 0.02610
H21 H -0.55140 0.73110 0.04990
O3 O -0.3316(4) 0.4769(5) 0.1080(3)
O4 O -0.3528(10) 0.6927(10) 0.2072(7)
H22 H -0.31820 0.61060 0.19320
H23 H -0.27260 0.67620 0.23500
O5 O -0.3227(4) 0.5370(4) -0.1307(3)
O6 O -0.3408(6) 0.9026(6) -0.0041(5)
H24 H -0.34340 0.88520 -0.06040
H25 H -0.34970 0.99080 -0.02160
O7 O -0.3661(4) 0.7677(4) -0.1424(3)
O8 O 0.0782(5) 0.0501(5) 0.0470(3)
H26 H 0.01520 0.09310 0.08640
H27 H 0.05080 0.10970 -0.01500
Ag1A Ag 0.45562(4) 0.64005(5) -0.22346(3)
Ag1A* Ag -0.54438(4) 0.64005(5) -0.22346(3)
Ag1* Ag 0.54438(4) 0.35995(5) 0.22346(3)
Ag2A Ag 0.67286(5) 0.09197(5) 0.13521(3)
C1A C 0.2385(5) 0.8264(6) -0.4357(4)
C2A C 0.3024(6) 0.8459(7) -0.6051(4)
C3A C 0.4497(7) 0.7346(7) -0.5669(4)
H1A H 0.52330 0.70350 -0.61250
C4A C 0.4835(6) 0.6721(6) -0.4601(4)
C5A C 0.2578(8) 0.9185(8) -0.7199(4)
H2A H 0.18440 0.89520 -0.73700
H3A H 0.21630 1.02590 -0.73750
H4A H 0.34420 0.88060 -0.75830
C6A C 0.6376(6) 0.5518(8) -0.4133(5)
H5A H 0.63340 0.46200 -0.37100
H6A H 0.70320 0.52990 -0.46790
H7A H 0.67460 0.58660 -0.37120
C7A C 0.6516(6) -0.0503(6) 0.3720(4)
C8A C 0.8448(6) -0.2303(7) 0.4973(4)
C9A C 0.9363(7) -0.2705(7) 0.4191(5)
H8A H 1.03360 -0.34960 0.43490
C10A C 0.8800(6) -0.1904(7) 0.3164(4)
C11A C 0.9005(7) -0.3036(8) 0.6106(4)
H9A H 0.81870 -0.30110 0.65270
H10A H 0.94260 -0.24980 0.62910
H11A H 0.97580 -0.40650 0.62200
C12A C 0.9744(7) -0.2253(9) 0.2269(5)
H12A H 0.92830 -0.25320 0.18530
H13A H 1.07230 -0.30720 0.25340
H14A H 0.98260 -0.13770 0.18490
C13A C 0.0970(5) 0.5596(5) -0.0447(3)
C14A C 0.1413(5) 0.4409(5) 0.0512(3)
C15A C -0.0440(5) 0.6178(6) -0.0930(3)
H15A H -0.07380 0.69790 -0.15480
C16A C 0.2904(5) 0.3734(6) 0.1122(3)
C17A C 0.1997(5) 0.6194(6) -0.1017(3)
N1A N 0.1307(5) 0.8766(6) -0.3722(3)
H16A H 0.15080 0.84140 -0.30600
H17A H 0.04150 0.94390 -0.39770
N2A N 0.1960(5) 0.8906(5) -0.5396(3)
N3A N 0.3782(5) 0.7201(5) -0.3933(3)
N4A N 0.5077(5) 0.0539(5) 0.3514(4)
H18A H 0.47210 0.10390 0.28800
H19A H 0.45070 0.07090 0.40150
N5A N 0.7006(5) -0.1234(5) 0.4750(4)
N6A N 0.7385(5) -0.0746(5) 0.2916(3)
O1A O 0.1483(4) 0.7603(4) -0.1440(3)
O2A O 0.6379(5) 0.2408(6) -0.0250(3)
H20A H 0.64290 0.31880 -0.02610
H21A H 0.55140 0.26890 -0.04990
O3A O 0.3316(4) 0.5231(5) -0.1080(3)
O5A O 0.3227(4) 0.4630(4) 0.1307(3)
O5A* O -0.6773(4) 0.4630(4) 0.1307(3)
O5* O 0.6773(4) 0.5370(4) -0.1307(3)
O7A O 0.3661(4) 0.2323(4) 0.1424(3)
#END

data_CSD_CIF_MAJLUF
_audit_creation_date 2005-01-17
_audit_creation_method CSD-ConQuest-V1
_database_code_CSD MAJLUF
_database_code_depnum_ccdc_archive 'CCDC 259015'
_chemical_formula_sum 'C11 H10 Ag1 N3 O2'
_chemical_formula_moiety
;
(C11 H10 Ag1 N3 O2)n
;
_journal_coeditor_code "IUCr FA1091"
_journal_coden_Cambridge 591
_journal_volume 60
_journal_year 2004
_journal_page_first m623
_journal_name_full 'Acta Crystallogr.,Sect.C:Cryst.Struct.Commun. '
loop_
_publ_author_name
"Zhong-Lu You"
"Hai-Liang Zhu"
_chemical_name_systematic
;
catena-((μ₂-2-aminopyrimidine)-(benzoato)-silver(i))
;
_cell_volume   1126.843
_exptl_crystal_colour 'colorless'
_exptl_crystal_density_diffrn 1.91
_exptl_crystal_description 'block'
_diffrn_ambient_temperature 293
#These two values have been output from a single CSD field.
_refine_ls_R_factor_gt 0.0574
_refine_ls_wR_factor_gt 0.0574
_symmetry_cell_setting monoclinic
_symmetry_space_group_name_H-M 'P 21/n'
_symmetry_Int_Tables_number 14
loop_
_symmetry_equiv_pos_site_id
_symmetry_equiv_pos_as_xyz
1 x,y,z
2 1/2+x,1/2-y,1/2+z
3 -x,-y,-z
4 -1/2-x,-1/2+y,-1/2-z
_cell_length_a 6.457(3)
_cell_length_b 25.594(7)
_cell_length_c 7.111(3)
_cell_angle_alpha 90
_cell_angle_beta 106.488(3)
_cell_angle_gamma 90
_cell_formula_units_Z 4
loop_
_atom_type_symbol
_atom_type_radius_bond
C 0.68
H 0.23
Ag 1.49
N 0.68
O 0.68
loop_
_atom_site_label
_atom_site_type_symbol
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
Ag1 Ag 0.52115(7) 1.01761(2) 0.23928(7)
O1 O 0.4556(6) 0.94268(16) 0.3950(6)
O2 O 0.7227(8) 0.90684(18) 0.3038(8)
N1 N 0.0326(7) 0.9841(2) 0.2855(7)
H1 H 0.16560 0.96990 0.32090
H2 H -0.07910 0.96680 0.30840
N2 N 0.1758(6) 1.05482(18) 0.1696(6)
N3 N -0.1999(6) 1.05083(19) 0.1508(7)
C1 C 0.5783(9) 0.9050(2) 0.3855(8)
C2 C 0.5458(9) 0.8551(2) 0.4845(8)
C3 C 0.7049(10) 0.8166(3) 0.5198(11)
H3 H 0.83030 0.82110 0.47440
C4 C 0.6857(12) 0.7714(3) 0.6203(11)
H4 H 0.79790 0.74550 0.64770
C5 C 0.5060(13) 0.7641(3) 0.6852(12)
H5 H 0.49360 0.73330 0.75790
C6 C 0.3454(12) 0.8011(3) 0.6453(11)
H6 H 0.21590 0.79470 0.68240
C7 C 0.3649(10) 0.8464(3) 0.5474(9)
H7 H 0.25410 0.87260 0.52600
C8 C 0.0020(8) 1.0308(2) 0.2002(7)
C9 C 0.1408(9) 1.1012(2) 0.0839(8)
H8 H 0.26070 1.11930 0.05940
C10 C -0.0609(9) 1.1242(2) 0.0238(9)
H9 H -0.08320 1.15790 -0.03800
C11 C -0.2266(9) 1.0973(2) 0.0608(9)
H10 H -0.36860 1.11240 0.01960
N3* N 0.8001(6) 1.05083(19) 0.1508(7)
Ag1* Ag -0.47885(7) 1.01761(2) 0.23928(7)
#END

data_CSD_CIF_MUTJAN
_audit_creation_date 2010-11-04
_audit_creation_method CSD-ConQuest-V1
_database_code_CSD MUTJAN
_database_code_depnum_ccdc_archive 'CCDC 767853'
_chemical_formula_sum 'C18 H32 Ag4 N6 O14'
_chemical_formula_moiety
;
(C18 H28 Ag4 N6 O12)n,2n(H2 O1)
;
_journal_coden_Cambridge 119
_journal_volume 975
_journal_year 2010
_journal_page_first 17
_journal_name_full 'J.Mol.Struct. '
loop_
_publ_author_name
"Di Sun"
"Na Zhang"
"Qin-Juan Xu"
"Rong-Bin Huang"
"Lan-Sun Zheng"
_chemical_name_systematic
;
catena-((μ₆-Butane-1,2,3,4-tetracarboxylato)-bis(μ₂-2-amino-4-methylpyri
midine)-tetra-aqua-tetra-silver dihydrate)
;
_cell_volume    692.108
_exptl_crystal_colour 'colorless'
_exptl_crystal_density_diffrn 2.371
_exptl_crystal_description 'block'
_diffrn_ambient_temperature 298
#These two values have been output from a single CSD field.
_refine_ls_R_factor_gt 0.0518
_refine_ls_wR_factor_gt 0.0518
_symmetry_cell_setting triclinic
_symmetry_space_group_name_H-M 'P -1'
_symmetry_Int_Tables_number 2
loop_
_symmetry_equiv_pos_site_id
_symmetry_equiv_pos_as_xyz
1 x,y,z
2 -x,-y,-z
_cell_length_a 6.9115(16)
_cell_length_b 8.251(2)
_cell_length_c 13.773(3)
_cell_angle_alpha 75.944(4)
_cell_angle_beta 80.613(4)
_cell_angle_gamma 65.600(4)
_cell_formula_units_Z 1
loop_
_atom_type_symbol
_atom_type_radius_bond
C 0.68
H 0.23
Ag 1.40
N 0.68
O 0.87
loop_
_atom_site_label
_atom_site_type_symbol
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
Ag1 Ag 0.74526(7) 0.19398(6) 0.28771(3)
Ag2 Ag 0.76222(8) 0.03392(7) 0.75277(4)
C1 C 0.7280(9) 0.0737(8) 0.5234(5)
C2 C 0.7916(9) -0.1599(8) 0.4435(5)
C3 C 0.8118(10) -0.2772(9) 0.5340(5)
H1 H 0.83300 -0.39750 0.53840
C4 C 0.7998(10) -0.2119(9) 0.6170(5)
H2 H 0.82190 -0.29200 0.67850
C5 C 0.8150(11) -0.2219(9) 0.3485(5)
H3 H 0.70720 -0.13380 0.30550
H4 H 0.95320 -0.23620 0.31570
H5 H 0.80000 -0.33610 0.36260
C6 C 0.3704(9) 0.3567(8) 0.1489(5)
C7 C 0.2809(9) 0.3736(8) 0.0520(4)
H6 H 0.29300 0.25490 0.04630
H7 H 0.36540 0.41470 -0.00400
C8 C 0.0473(9) 0.5057(8) 0.0455(4)
H8 H 0.03960 0.62940 0.03770
C9 C -0.0855(9) 0.4649(8) 0.1408(4)
N1 N 0.7578(8) -0.0378(7) 0.6145(4)
N2 N 0.6763(8) 0.2501(7) 0.5171(4)
H9 H 0.65890 0.32220 0.45950
H10 H 0.66040 0.29190 0.57060
N3 N 0.7509(7) 0.0155(7) 0.4373(4)
O1 O 0.7980(11) 0.1192(8) 0.8788(4)
H11 H 0.75480 0.06880 0.93450
H12 H 0.75190 0.22940 0.84850
O2 O 0.5053(7) 0.2044(7) 0.1848(4)
O3 O 0.5046(7) 0.5282(6) 0.3299(3)
H13 H 0.43180 0.51160 0.29200
H14 H 0.58020 0.55380 0.27820
O4 O 0.3046(7) 0.4904(6) 0.1894(4)
O5 O 0.7517(9) 0.9365(7) 0.0851(4)
H15 H 0.71860 0.84680 0.11350
H16 H 0.66410 0.97250 0.13400
O6 O -0.2275(7) 0.5931(6) 0.1760(3)
O7 O -0.0434(7) 0.3009(6) 0.1772(4)
Ag1A Ag -0.74526(7) 0.80602(6) -0.28771(3)
Ag1* Ag -0.25474(7) 0.19398(6) 0.28771(3)
Ag1A* Ag 0.25474(7) 0.80602(6) -0.28771(3)
Ag2A Ag 0.23778(8) -0.03392(7) 0.24723(4)
Ag2* Ag -0.23778(8) 1.03392(7) -0.24723(4)
Ag2A* Ag -0.76222(8) 0.96608(7) -0.75277(4)
C1A C -0.7280(9) 0.9263(8) -0.5234(5)
C2A C -0.7916(9) 1.1599(8) -0.4435(5)
C3A C -0.8118(10) 1.2772(9) -0.5340(5)
H1A H -0.83300 1.39750 -0.53840
C4A C -0.7998(10) 1.2119(9) -0.6170(5)
H2A H -0.82190 1.29200 -0.67850
C5A C -0.8150(11) 1.2219(9) -0.3485(5)
H3A H -0.70720 1.13380 -0.30550
H4A H -0.95320 1.23620 -0.31570
H5A H -0.80000 1.33610 -0.36260
C6A C -0.3704(9) 0.6433(8) -0.1489(5)
C7A C -0.2809(9) 0.6264(8) -0.0520(4)
H6A H -0.29300 0.74510 -0.04630
H7A H -0.36540 0.58530 0.00400
C8A C -0.0473(9) 0.4943(8) -0.0455(4)
H8A H -0.03960 0.37060 -0.03770
C9A C 0.0855(9) 0.5351(8) -0.1408(4)
N1A N -0.7578(8) 1.0378(7) -0.6145(4)
N1A* N 0.2422(8) 0.0378(7) 0.3855(4)
N2A N -0.6763(8) 0.7499(7) -0.5171(4)
H9A H -0.65890 0.67780 -0.45950
H10A H -0.66040 0.70810 -0.57060
N3A N -0.7509(7) 0.9845(7) -0.4373(4)
O1A O 0.2020(11) -0.1192(8) 0.1212(4)
H11A H 0.24520 -0.06880 0.06550
H12A H 0.24810 -0.22940 0.15150
O2A O -0.5053(7) 0.7956(7) -0.1848(4)
O3A O -0.5046(7) 0.4718(6) -0.3299(3)
H13A H -0.43180 0.48840 -0.29200
H14A H -0.58020 0.44620 -0.27820
O4A O -0.3046(7) 0.5096(6) -0.1894(4)
O6A O 0.2275(7) 0.4069(6) -0.1760(3)
O7A O 0.0434(7) 0.6991(6) -0.1772(4)
O7* O 0.9566(7) 0.3009(6) 0.1772(4)
O7A* O 1.0434(7) -0.3009(6) 0.8228(4)
O7A** O -0.9566(7) 0.6991(6) -0.1772(4)
#END

data_CSD_CIF_MUTJER
_audit_creation_date 2010-11-04
_audit_creation_method CSD-ConQuest-V1
_database_code_CSD MUTJER
_database_code_depnum_ccdc_archive 'CCDC 767854'
_chemical_formula_sum 'C44 H64 Ag4 N18 O10'
_chemical_formula_moiety
;
(C44 H60 Ag4 N18 O8)n,2n(H2 O1)
;
_journal_coden_Cambridge 119
_journal_volume 975
_journal_year 2010
_journal_page_first 17
_journal_name_full 'J.Mol.Struct. '
loop_
_publ_author_name
"Di Sun"
"Na Zhang"
"Qin-Juan Xu"
"Rong-Bin Huang"
"Lan-Sun Zheng"
_chemical_name_systematic
;
catena-((μ₆-Butane-1,2,3,4-tetracarboxylato)-hexakis(2-amino-4,6-dimethylpy
rimidine)-tetra-silver dihydrate)
;
_cell_volume   1314.914
_exptl_crystal_colour 'colorless'
_exptl_crystal_density_diffrn 1.814
_exptl_crystal_description 'block'
_diffrn_ambient_temperature 298
#These two values have been output from a single CSD field.
_refine_ls_R_factor_gt 0.0411
_refine_ls_wR_factor_gt 0.0411
_symmetry_cell_setting triclinic
_symmetry_space_group_name_H-M 'P -1'
_symmetry_Int_Tables_number 2
loop_
_symmetry_equiv_pos_site_id
_symmetry_equiv_pos_as_xyz
1 x,y,z
2 -x,-y,-z
_cell_length_a 7.528(2)
_cell_length_b 11.741(3)
_cell_length_c 15.560(4)
_cell_angle_alpha 74.838(5)
_cell_angle_beta 82.293(5)
_cell_angle_gamma 86.460(5)
_cell_formula_units_Z 1
loop_
_atom_type_symbol
_atom_type_radius_bond
C 0.68
H 0.23
Ag 1.46
N 0.68
O 0.68
loop_
_atom_site_label
_atom_site_type_symbol
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
Ag1 Ag -0.07573(4) 0.63482(3) 0.53297(3)
Ag2 Ag 0.30059(5) 0.20062(3) 0.85948(2)
C1 C -0.0558(5) 0.8452(3) 0.6222(3)
C2 C -0.1982(5) 1.0258(4) 0.5932(3)
C3 C -0.2660(6) 1.0007(4) 0.5223(3)
H1 H -0.33330 1.05730 0.48540
C4 C -0.2326(5) 0.8913(4) 0.5072(3)
C5 C -0.3085(7) 0.8553(4) 0.4347(3)
H2 H -0.21590 0.81760 0.40220
H3 H -0.35500 0.92380 0.39450
H4 H -0.40330 0.80110 0.46090
C6 C -0.2365(6) 1.1415(4) 0.6170(4)
H5 H -0.13030 1.16650 0.63390
H6 H -0.33080 1.13230 0.66610
H7 H -0.27290 1.19960 0.56600
C7 C 0.2639(6) -0.0273(4) 0.7937(3)
C8 C 0.5340(6) -0.0271(4) 0.8467(3)
C9 C 0.5823(6) -0.1296(4) 0.8239(3)
H8 H 0.69320 -0.16580 0.83500
C10 C 0.4641(6) -0.1799(4) 0.7837(3)
C11 C 0.6557(6) 0.0329(5) 0.8888(4)
H9 H 0.59390 0.04630 0.94360
H10 H 0.69060 0.10710 0.84830
H11 H 0.76050 -0.01630 0.90160
C12 C 0.5085(7) -0.2909(5) 0.7547(4)
H12 H 0.46290 -0.28440 0.69880
H13 H 0.45480 -0.35630 0.79940
H14 H 0.63630 -0.30330 0.74710
C13 C 0.3220(6) 0.3669(4) 0.9846(3)
C14 C 0.1155(6) 0.4125(4) 1.0931(3)
C15 C -0.0039(6) 0.3351(4) 1.0792(3)
H15 H -0.11680 0.32450 1.11230
C16 C 0.0507(6) 0.2746(4) 1.0147(3)
C17 C -0.0722(6) 0.1925(4) 0.9931(3)
H16 H -0.08120 0.21470 0.92990
H17 H -0.18890 0.19740 1.02570
H18 H -0.02500 0.11310 1.01000
C18 C 0.0682(7) 0.4815(4) 1.1615(3)
H19 H 0.10090 0.56210 1.13570
H20 H 0.13190 0.44840 1.21220
H21 H -0.05850 0.47820 1.18050
C19 C 0.2810(6) 0.5251(4) 0.5701(3)
C20 C 0.4574(5) 0.4639(3) 0.5461(3)
H22 H 0.43160 0.38540 0.54070
C21 C 0.5795(6) 0.4488(4) 0.6192(3)
H23 H 0.69580 0.41900 0.59820
H24 H 0.59650 0.52580 0.62850
C22 C 0.5114(6) 0.3666(4) 0.7087(3)
N1 N -0.1282(4) 0.8104(3) 0.5578(2)
N2 N 0.0579(5) 0.7710(3) 0.6690(3)
H25 H 0.10420 0.79010 0.71070
H26 H 0.08520 0.70380 0.65750
N3 N -0.0935(5) 0.9487(3) 0.6430(2)
N4 N 0.2122(5) 0.2898(3) 0.9671(2)
N5 N 0.4836(5) 0.3830(4) 0.9379(3)
H27 H 0.55510 0.43130 0.94760
H28 H 0.51680 0.34500 0.89780
N6 N 0.2770(5) 0.4285(3) 1.0464(2)
N7 N 0.3730(5) 0.0264(3) 0.8323(2)
N8 N 0.0999(5) 0.0212(3) 0.7797(3)
H29 H 0.06650 0.08510 0.79530
H30 H 0.02870 -0.01180 0.75530
N9 N 0.3047(5) -0.1286(3) 0.7686(2)
O1 O 0.1346(4) 0.4829(3) 0.5595(2)
O2 O 0.9855(4) 0.2732(3) 0.7475(2)
H31 H 1.06410 0.31260 0.70850
H32 H 0.88340 0.30820 0.74520
O3 O 0.2869(4) 0.6178(3) 0.5925(2)
O4 O 0.6177(4) 0.3353(3) 0.76679(19)
O5 O 0.3546(4) 0.3360(3) 0.7201(2)
Ag1A Ag 1.07573(4) 0.36518(3) 0.46703(3)
Ag1A* Ag 0.07573(4) 0.36518(3) 0.46703(3)
Ag1* Ag 0.92427(4) 0.63482(3) 0.53297(3)
Ag2A Ag 0.69941(5) 0.79938(3) 0.14052(2)
C1A C 1.0558(5) 0.1548(3) 0.3778(3)
C2A C 1.1982(5) -0.0258(4) 0.4068(3)
C3A C 1.2660(6) -0.0007(4) 0.4777(3)
H1A H 1.33330 -0.05730 0.51460
C4A C 1.2326(5) 0.1087(4) 0.4928(3)
C5A C 1.3085(7) 0.1447(4) 0.5653(3)
H2A H 1.21590 0.18240 0.59780
H3A H 1.35500 0.07620 0.60550
H4A H 1.40330 0.19890 0.53910
C6A C 1.2365(6) -0.1415(4) 0.3830(4)
H5A H 1.13030 -0.16650 0.36610
H6A H 1.33080 -0.13230 0.33390
H7A H 1.27290 -0.19960 0.43400
C7A C 0.7361(6) 1.0273(4) 0.2063(3)
C8A C 0.4660(6) 1.0271(4) 0.1533(3)
C9A C 0.4177(6) 1.1296(4) 0.1761(3)
H8A H 0.30680 1.16580 0.16500
C10A C 0.5359(6) 1.1799(4) 0.2163(3)
C11A C 0.3443(6) 0.9671(5) 0.1112(4)
H9A H 0.40610 0.95370 0.05640
H10A H 0.30940 0.89290 0.15170
H11A H 0.23950 1.01630 0.09840
C12A C 0.4915(7) 1.2909(5) 0.2453(4)
H12A H 0.53710 1.28440 0.30120
H13A H 0.54520 1.35630 0.20060
H14A H 0.36370 1.30330 0.25290
C13A C 0.6780(6) 0.6331(4) 0.0154(3)
C14A C 0.8845(6) 0.5875(4) -0.0931(3)
C15A C 1.0039(6) 0.6649(4) -0.0792(3)
H15A H 1.11680 0.67550 -0.11230
C16A C 0.9493(6) 0.7254(4) -0.0147(3)
C17A C 1.0722(6) 0.8075(4) 0.0069(3)
H16A H 1.08120 0.78530 0.07010
H17A H 1.18890 0.80260 -0.02570
H18A H 1.02500 0.88690 -0.01000
C18A C 0.9318(7) 0.5185(4) -0.1615(3)
H19A H 0.89910 0.43790 -0.13570
H20A H 0.86810 0.55160 -0.21220
H21A H 1.05850 0.52180 -0.18050
C19A C 0.7190(6) 0.4749(4) 0.4299(3)
C20A C 0.5426(5) 0.5361(3) 0.4539(3)
H22A H 0.56840 0.61460 0.45930
C21A C 0.4205(6) 0.5512(4) 0.3808(3)
H23A H 0.30420 0.58100 0.40180
H24A H 0.40350 0.47420 0.37150
C22A C 0.4886(6) 0.6334(4) 0.2913(3)
N1A N 1.1282(4) 0.1896(3) 0.4422(2)
N2A N 0.9421(5) 0.2290(3) 0.3310(3)
H25A H 0.89580 0.20990 0.28930
H26A H 0.91480 0.29620 0.34250
N3A N 1.0935(5) 0.0513(3) 0.3570(2)
N4A N 0.7878(5) 0.7102(3) 0.0329(2)
N5A N 0.5164(5) 0.6170(4) 0.0621(3)
H27A H 0.44490 0.56870 0.05240
H28A H 0.48320 0.65500 0.10220
N6A N 0.7230(5) 0.5715(3) -0.0464(2)
N7A N 0.6270(5) 0.9736(3) 0.1677(2)
N8A N 0.9001(5) 0.9788(3) 0.2203(3)
H29A H 0.93350 0.91490 0.20470
H30A H 0.97130 1.01180 0.24470
N9A N 0.6953(5) 1.1286(3) 0.2314(2)
O1A O 0.8654(4) 0.5171(3) 0.4405(2)
O1A* O -0.1346(4) 0.5171(3) 0.4405(2)
O1* O 1.1346(4) 0.4829(3) 0.5595(2)
O3A O 0.7131(4) 0.3822(3) 0.4075(2)
O4A O 0.3823(4) 0.6647(3) 0.23321(19)
O5A O 0.6454(4) 0.6640(3) 0.2799(2)
#END

data_CSD_CIF_NUSNAQ
_audit_creation_date 1998-09-24
_audit_creation_method CSD-ConQuest-V1
_database_code_CSD NUSNAQ
_chemical_formula_sum 'C11 H12 Ag1 N3 O3 S1'
_chemical_formula_moiety
;
(C11 H12 Ag1 N3 O3 S1)n
;
_journal_coden_Cambridge 9
_journal_volume 37
_journal_year 1998
_journal_page_first 3236
_journal_name_full 'Inorg.Chem. '
loop_
_publ_author_name
"G.Smith"
"B.A.Cloutt"
"D.E.Lynch"
"K.A.Byriel"
"C.H.L.Kennard"
_chemical_name_systematic
;
catena-((μ₂-2-Aminopyrimidine-N,N')-(p-toluenesulfonato-O)-silver(i))
;
_cell_volume   1254.213
_exptl_crystal_colour 'colorless'
_exptl_crystal_density_diffrn 1.982
_exptl_crystal_description 'plates'
_exptl_crystal_preparation 'ethanol'
_diffrn_ambient_temperature ?
_diffrn_special_details
;
The study was carried out at room temperature,in the range 283-303K

;
#These two values have been output from a single CSD field.
_refine_ls_R_factor_gt 0.065
_refine_ls_wR_factor_gt 0.065
_symmetry_cell_setting monoclinic
_symmetry_space_group_name_H-M 'P 21/n'
_symmetry_Int_Tables_number 14
loop_
_symmetry_equiv_pos_site_id
_symmetry_equiv_pos_as_xyz
1 x,y,z
2 1/2-x,1/2+y,1/2-z
3 -x,-y,-z
4 -1/2+x,-1/2-y,-1/2+z
_cell_length_a 6.535(2)
_cell_length_b 7.3440(8)
_cell_length_c 26.134(12)
_cell_angle_alpha 90
_cell_angle_beta 90.44(1)
_cell_angle_gamma 90
_cell_formula_units_Z 4
loop_
_atom_type_symbol
_atom_type_radius_bond
C 0.68
H 0.23
Ag 1.59
N 0.68
O 0.68
S 1.02
loop_
_atom_site_label
_atom_site_type_symbol
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
S1 S 0.4651(5) 0.0942(4) 0.09785(12)
O1 O 0.3367(16) 0.0815(16) 0.0517(4)
O2 O 0.6007(16) 0.2523(14) 0.0973(4)
O3 O 0.5734(16) -0.0737(14) 0.1080(4)
C1 C 0.2968(20) 0.1251(17) 0.1498(4)
C2 C 0.0958(19) 0.0640(17) 0.1455(5)
H1 H 0.0482(19) 0.0117(17) 0.1153(5)
C3 C -0.0330(21) 0.0831(19) 0.1877(5)
H2 H -0.1676(21) 0.0427(19) 0.1853(5)
C4 C 0.0368(22) 0.1616(19) 0.2331(5)
C5 C -0.1055(28) 0.1796(27) 0.2774(6)
H3 H -0.195(12) 0.0762(78) 0.2783(26)
H4 H -0.185(12) 0.2888(82) 0.2736(23)
H5 H -0.0275(29) 0.185(16) 0.3086(7)
C6 C 0.2319(26) 0.2224(21) 0.2356(6)
H6 H 0.2784(26) 0.2782(21) 0.2654(6)
C7 C 0.3661(21) 0.2033(19) 0.1941(5)
H7 H 0.5007(21) 0.2435(19) 0.1968(5)
N1 N 0.1138(14) 0.3193(14) -0.0504(4)
C8 C -0.0675(17) 0.3060(16) -0.0249(4)
N2 N -0.0625(16) 0.2382(16) 0.0213(4)
N3 N -0.2488(14) 0.3582(15) -0.0451(4)
C9 C -0.2507(19) 0.4282(18) -0.0921(5)
H8 H -0.3739(19) 0.4688(18) -0.1060(5)
C10 C -0.0728(20) 0.4426(19) -0.1211(5)
H9 H -0.0755(20) 0.4881(19) -0.1543(5)
C11 C 0.1072(20) 0.3857(18) -0.0981(5)
H10 H 0.2283(20) 0.3940(18) -0.1164(5)
H11 H 0.048(31) 0.175(29) 0.0358(75)
H12 H -0.157(20) 0.232(16) 0.0484(51)
Ag1 Ag 0.43846(14) 0.2717(2) -0.01915(4)
N3* N 0.7512(14) 0.3582(15) -0.0451(4)
Ag1* Ag -0.56154(14) 0.2717(2) -0.01915(4)
#END

data_CSD_CIF_NUSNEU
_audit_creation_date 1998-09-24
_audit_creation_method CSD-ConQuest-V1
_database_code_CSD NUSNEU
_chemical_formula_sum 'C32 H41 Ag2 N9 O6 S2'
_chemical_formula_moiety
;
(C32 H41 Ag2 N9 O6 S2)n
;
_journal_coden_Cambridge 9
_journal_volume 37
_journal_year 1998
_journal_page_first 3236
_journal_name_full 'Inorg.Chem. '
loop_
_publ_author_name
"G.Smith"
"B.A.Cloutt"
"D.E.Lynch"
"K.A.Byriel"
"C.H.L.Kennard"
_chemical_name_systematic
;
catena-(bis(μ₂-p-Toluenesulfonato-O,O')-(μ₂-4,6-dimethyl-2-aminopyrimidi
ne-N,N')-(4,6-dimethyl-2-aminopyrimidine-N)-di-silver(i))
;
_cell_volume   3732.350
_exptl_crystal_colour 'colorless'
_exptl_crystal_density_diffrn 1.651
_exptl_crystal_description 'needle'
_exptl_crystal_preparation 'ethanol'
_diffrn_ambient_temperature ?
_diffrn_special_details
;
The study was carried out at room temperature,in the range 283-303K

;
#These two values have been output from a single CSD field.
_refine_ls_R_factor_gt 0.0411
_refine_ls_wR_factor_gt 0.0411
_symmetry_cell_setting monoclinic
_symmetry_space_group_name_H-M 'C 2/c'
_symmetry_Int_Tables_number 15
loop_
_symmetry_equiv_pos_site_id
_symmetry_equiv_pos_as_xyz
1 x,y,z
2 -x,y,1/2-z
3 1/2+x,1/2+y,z
4 1/2-x,1/2+y,1/2-z
5 -x,-y,-z
6 x,-y,-1/2+z
7 -1/2-x,-1/2-y,-z
8 -1/2+x,-1/2-y,-1/2+z
_cell_length_a 21.312(6)
_cell_length_b 10.650(1)
_cell_length_c 17.565(5)
_cell_angle_alpha 90
_cell_angle_beta 110.58(1)
_cell_angle_gamma 90
_cell_formula_units_Z 4
loop_
_atom_type_symbol
_atom_type_radius_bond
C 0.68
H 0.23
Ag 1.65
N 0.68
O 0.68
S 1.02
loop_
_atom_site_label
_atom_site_type_symbol
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
N1 N 0.0311(2) 0.1801(4) 0.2049(2)
C1 C 0.00000 0.1208(6) 0.25000
C2 C 0.00000 0.3717(7) 0.25000
H1 H 0.00000 0.4590(7) 0.25000
C3 C 0.0301(2) 0.3054(5) 0.2049(3)
N2 N 0.00000 -0.0042(5) 0.25000
H2 H 0.01930 -0.0446(5) 0.22200
H3 H -0.01930 -0.0446(5) 0.27800
C4 C 0.0635(3) 0.3715(5) 0.1544(4)
H4 H 0.1111(3) 0.3582(5) 0.1775(4)
H5 H 0.0542(3) 0.4598(5) 0.1534(4)
H6 H 0.0468(3) 0.3389(5) 0.1000(4)
N3 N 0.1966(2) 0.1093(4) 0.1506(2)
C5 C 0.2170(2) 0.1693(5) 0.0950(3)
N4 N 0.2819(2) 0.1973(4) 0.1069(2)
C6 C 0.3272(2) 0.1714(5) 0.1785(3)
C7 C 0.3098(3) 0.1153(5) 0.2397(3)
H7 H 0.3417(3) 0.1012(5) 0.2910(3)
C8 C 0.2441(3) 0.0812(4) 0.2220(3)
N5 N 0.1717(2) 0.2026(6) 0.0244(3)
H8 H 0.1840(2) 0.2403(6) -0.0114(3)
H9 H 0.1300(2) 0.1866(6) 0.0144(3)
C9 C 0.3983(2) 0.2033(6) 0.1895(3)
H10 H 0.4139(2) 0.1485(6) 0.1565(3)
H11 H 0.4259(2) 0.1930(6) 0.2456(3)
H12 H 0.4007(2) 0.2888(6) 0.1735(3)
C10 C 0.2222(3) 0.0028(6) 0.2797(4)
H13 H 0.2580(3) -0.0023(6) 0.3313(4)
H14 H 0.2107(3) -0.0800(6) 0.2577(4)
H15 H 0.1838(3) 0.0410(6) 0.2868(4)
C11 C 0.0808(2) -0.2445(4) 0.0135(3)
C12 C 0.1013(2) -0.1451(5) -0.0234(3)
H16 H 0.0871(2) -0.0637(5) -0.0193(3)
C13 C 0.1431(3) -0.1696(5) -0.0665(3)
H17 H 0.1568(3) -0.1034(5) -0.0915(3)
C14 C 0.1649(2) -0.2888(5) -0.0736(3)
C15 C 0.1437(3) -0.3858(5) -0.0367(4)
H18 H 0.1580(3) -0.4672(5) -0.0410(4)
C16 C 0.1015(3) -0.3640(5) 0.0067(3)
H19 H 0.0873(3) -0.4305(5) 0.0309(3)
S1 S 0.02567(6) -0.21417(11) 0.06746(7)
O1 O 0.0628(2) -0.1362(4) 0.1374(2)
O2 O 0.0306(2) 0.1448(4) -0.0118(2)
O3 O 0.0076(2) -0.3338(3) 0.0909(2)
C17 C 0.2104(3) -0.3131(7) -0.1219(4)
H20 H 0.2289(3) -0.3961(7) -0.1103(4)
H21 H 0.1851(3) -0.3058(7) -0.1789(4)
H22 H 0.2462(3) -0.2526(7) -0.1069(4)
Ag1 Ag 0.08701(2) 0.08179(4) 0.13342(3)
N1A N -0.0311(2) 0.1801(4) 0.2951(2)
C3A C -0.0301(2) 0.3054(5) 0.2951(3)
O2D O -0.0306(2) -0.1448(4) 0.0118(2)
Ag1D Ag -0.08701(2) -0.08179(4) -0.13342(3)
N1D N -0.0311(2) -0.1801(4) -0.2049(2)
N3D N -0.1966(2) -0.1093(4) -0.1506(2)
C5D C -0.2170(2) -0.1693(5) -0.0950(3)
N4D N -0.2819(2) -0.1973(4) -0.1069(2)
C6D C -0.3272(2) -0.1714(5) -0.1785(3)
C7D C -0.3098(3) -0.1153(5) -0.2397(3)
H7D H -0.3417(3) -0.1012(5) -0.2910(3)
C8D C -0.2441(3) -0.0812(4) -0.2220(3)
C10D C -0.2222(3) -0.0028(6) -0.2797(4)
H13D H -0.2580(3) 0.0023(6) -0.3313(4)
H14D H -0.2107(3) 0.0800(6) -0.2577(4)
H15D H -0.1838(3) -0.0410(6) -0.2868(4)
C9D C -0.3983(2) -0.2033(6) -0.1895(3)
H10D H -0.4139(2) -0.1485(6) -0.1565(3)
H11D H -0.4259(2) -0.1930(6) -0.2456(3)
H12D H -0.4007(2) -0.2888(6) -0.1735(3)
N5D N -0.1717(2) -0.2026(6) -0.0244(3)
H8D H -0.1840(2) -0.2403(6) 0.0114(3)
H9D H -0.1300(2) -0.1866(6) -0.0144(3)
O1D O -0.0628(2) 0.1362(4) -0.1374(2)
S1D S -0.02567(6) 0.21417(11) -0.06746(7)
C11D C -0.0808(2) 0.2445(4) -0.0135(3)
C12D C -0.1013(2) 0.1451(5) 0.0234(3)
H16D H -0.0871(2) 0.0637(5) 0.0193(3)
C13D C -0.1431(3) 0.1696(5) 0.0665(3)
H17D H -0.1568(3) 0.1034(5) 0.0915(3)
C14D C -0.1649(2) 0.2888(5) 0.0736(3)
C15D C -0.1437(3) 0.3858(5) 0.0367(4)
H18D H -0.1580(3) 0.4672(5) 0.0410(4)
C16D C -0.1015(3) 0.3640(5) -0.0067(3)
H19D H -0.0873(3) 0.4305(5) -0.0309(3)
C17D C -0.2104(3) 0.3131(7) 0.1219(4)
H20D H -0.2289(3) 0.3961(7) 0.1103(4)
H21D H -0.1851(3) 0.3058(7) 0.1789(4)
H22D H -0.2462(3) 0.2526(7) 0.1069(4)
O3D O -0.0076(2) 0.3338(3) -0.0909(2)
C4A C -0.0635(3) 0.3715(5) 0.3456(4)
H4A H -0.1111(3) 0.3582(5) 0.3225(4)
H5A H -0.0542(3) 0.4598(5) 0.3466(4)
H6A H -0.0468(3) 0.3389(5) 0.4000(4)
Ag1A Ag -0.08701(2) 0.08179(4) 0.36658(3)
#END

data_CSD_CIF_OJECUC
_audit_creation_date 2010-07-26
_audit_creation_method CSD-ConQuest-V1
_database_code_CSD OJECUC
_database_code_depnum_ccdc_archive 'CCDC 739072'
_chemical_formula_sum 'C14 H18 Ag2 F6 N6 O8 S2'
_chemical_formula_moiety
;
(C8 H9 Ag1 F6 N3 O7 S2 1-)n,n(C6 H9 Ag1 N3 O1 1+)
;
_journal_coden_Cambridge 119
_journal_volume 938
_journal_year 2009
_journal_page_first 65
_journal_name_full 'J.Mol.Struct. '
loop_
_publ_author_name
"Geng-Geng Luo"
"Di Sun"
"Na Zhang"
"Rong-Bin Huang"
"Lan-Sun Zheng"
_chemical_name_systematic
;
catena-[(μ₂-2-Amino-4-methoxy-6-methylpyrimidine)-silver(i) 
(μ₂-2-amino-4-methoxy-6-methylpyrimidine)-bis(trifluoromethanesulfonato)-si
lver(i)]
;
_cell_volume   2491.316
_exptl_crystal_density_diffrn 2.112
_diffrn_ambient_temperature 173
#These two values have been output from a single CSD field.
_refine_ls_R_factor_gt 0.032
_refine_ls_wR_factor_gt 0.032
_symmetry_cell_setting monoclinic
_symmetry_space_group_name_H-M 'P 21/c'
_symmetry_Int_Tables_number 14
loop_
_symmetry_equiv_pos_site_id
_symmetry_equiv_pos_as_xyz
1 x,y,z
2 -x,1/2+y,1/2-z
3 -x,-y,-z
4 x,-1/2-y,-1/2+z
_cell_length_a 16.5970(5)
_cell_length_b 12.1135(3)
_cell_length_c 12.9058(4)
_cell_angle_alpha 90
_cell_angle_beta 106.227(3)
_cell_angle_gamma 90
_cell_formula_units_Z 4
loop_
_atom_type_symbol
_atom_type_radius_bond
C 0.68
H 0.23
Ag 1.54
F 0.64
N 0.68
O 0.68
S 1.02
loop_
_atom_site_label
_atom_site_type_symbol
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
Ag1 Ag 0.09141(2) 0.77779(3) 0.18200(2)
Ag2 Ag 0.53513(2) 0.64742(2) 0.27774(3)
S1 S 0.27682(6) 0.61951(9) 0.22946(8)
S2 S 0.23926(7) 1.01915(8) 0.18232(8)
C1 C 0.3104(3) 0.5067(4) 0.3246(4)
C2 C 0.0800(2) 0.7301(3) -0.0711(3)
C3 C -0.0223(2) 0.6509(3) -0.0084(3)
C4 C 0.5950(3) 0.8361(3) 0.4430(3)
C5 C 0.4983(2) 0.8947(3) 0.2877(3)
C6 C 0.5616(2) 1.0235(3) 0.4147(3)
C7 C -0.0131(3) 0.6114(3) -0.1827(3)
C8 C 0.6072(3) 0.9426(3) 0.4803(3)
H1 H 0.64540 0.95960 0.54820
C9 C 0.6298(3) 1.1682(4) 0.5309(4)
H2 H 0.62410 1.24780 0.54000
H3 H 0.68440 1.15250 0.51900
H4 H 0.62550 1.12970 0.59590
C10 C -0.0538(3) 0.5943(3) -0.1045(3)
H5 H -0.10080 0.54650 -0.11590
C11 C -0.1325(3) 0.5874(5) 0.0620(4)
H6 H -0.14910 0.59090 0.12900
H7 H -0.12470 0.51010 0.04440
H8 H -0.17630 0.62080 0.00320
C12 C 0.6378(3) 0.7427(4) 0.5112(4)
H9 H 0.67440 0.77140 0.57910
H10 H 0.67160 0.70170 0.47280
H11 H 0.59580 0.69340 0.52650
C13 C 0.1790(4) 1.1439(5) 0.1369(5)
C14 C -0.0401(3) 0.5526(5) -0.2879(4)
H12 H -0.08760 0.50410 -0.28870
H13 H -0.05710 0.60650 -0.34650
H14 H 0.00660 0.50830 -0.29770
N1 N 0.0447(2) 0.7159(3) 0.0106(2)
N2 N 0.0519(2) 0.6804(3) -0.1685(2)
N3 N 0.5422(2) 0.8111(3) 0.3461(3)
N4 N 0.50702(19) 1.0010(2) 0.3193(3)
N5 N 0.1458(2) 0.7960(3) -0.0543(3)
H15 H 0.17030 0.80660 -0.10580
H16 H 0.16510 0.82920 0.00840
N6 N 0.4436(2) 0.8718(3) 0.1930(3)
H17 H 0.41460 0.92530 0.15350
H18 H 0.43630 0.80310 0.17000
O1 O 0.3526(2) 0.6710(3) 0.2294(4)
O2 O 0.2348(4) 0.5673(4) 0.1323(3)
O3 O 0.2261(3) 0.6841(4) 0.2785(3)
O4 O 0.3081(2) 1.0312(3) 0.1367(4)
O5 O 0.2591(3) 1.0244(4) 0.2954(3)
O6 O 0.1815(3) 0.9342(3) 0.1339(3)
O7 O 0.56362(19) 1.1305(2) 0.4388(2)
O8 O -0.05532(19) 0.6464(3) 0.0756(2)
F1 F 0.2474(2) 0.4522(4) 0.3408(4)
F2 F 0.3571(4) 0.5387(3) 0.4149(3)
F3 F 0.1118(2) 1.1479(3) 0.1707(3)
F4 F 0.2247(3) 1.2326(3) 0.1766(4)
F5 F 0.1591(2) 1.1561(3) 0.0341(3)
F6 F 0.3520(3) 0.4320(3) 0.2861(3)
Ag1C Ag 0.09141(2) 0.72221(3) -0.31800(2)
Ag2A Ag 0.46487(2) 1.14742(2) 0.22226(3)
N2C N 0.0519(2) 0.8196(3) 0.3315(2)
N4A N 0.49298(19) 0.5010(2) 0.1807(3)
#END

data_CSD_CIF_OJEDAJ
_audit_creation_date 2010-07-26
_audit_creation_method CSD-ConQuest-V1
_database_code_CSD OJEDAJ
_database_code_depnum_ccdc_archive 'CCDC 739073'
_chemical_formula_sum 'C20 H27 Ag2 F6 N9 O12 S2'
_chemical_formula_moiety
;
C19 H27 Ag2 F3 N9 O9 S1 1+,C1 F3 O3 S1 1-
;
_journal_coden_Cambridge 119
_journal_volume 938
_journal_year 2009
_journal_page_first 65
_journal_name_full 'J.Mol.Struct. '
loop_
_publ_author_name
"Geng-Geng Luo"
"Di Sun"
"Na Zhang"
"Rong-Bin Huang"
"Lan-Sun Zheng"
_chemical_name_systematic
;
(μ₂-2-Amino-4,6-dimethoxypyrimidine)-bis(2-amino-4,6-dimethoxypyrimidine)-(
trifluoromethanesulfonato)-di-silver(i) trifluoromethanesulfonate
;
_cell_volume   1635.118
_exptl_crystal_density_diffrn 1.989
_diffrn_ambient_temperature 173
#These two values have been output from a single CSD field.
_refine_ls_R_factor_gt 0.0435
_refine_ls_wR_factor_gt 0.0435
_symmetry_cell_setting triclinic
_symmetry_space_group_name_H-M 'P -1'
_symmetry_Int_Tables_number 2
loop_
_symmetry_equiv_pos_site_id
_symmetry_equiv_pos_as_xyz
1 x,y,z
2 -x,-y,-z
_cell_length_a 11.4469(8)
_cell_length_b 11.9767(7)
_cell_length_c 13.2788(7)
_cell_angle_alpha 65.108(6)
_cell_angle_beta 89.236(5)
_cell_angle_gamma 82.419(6)
_cell_formula_units_Z 2
loop_
_atom_type_symbol
_atom_type_radius_bond
C 0.68
H 0.23
Ag 1.57
F 0.64
N 0.68
O 0.68
S 1.02
loop_
_atom_site_label
_atom_site_type_symbol
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
Ag1 Ag 0.88139(4) 0.15915(4) 0.42368(3)
Ag2 Ag 0.93341(4) 0.49520(4) 0.68764(4)
C1 C 0.5890(7) 0.1511(7) 0.1475(5)
C2 C 1.3286(7) 0.2627(7) 0.8179(6)
C3 C 1.0086(5) 0.0084(5) 0.2907(4)
C4 C 1.2653(6) -0.0750(7) 0.1132(6)
H1 H 1.33870 -0.08960 0.07910
H2 H 1.20460 -0.02380 0.05490
H3 H 1.23870 -0.15480 0.15950
C5 C 1.1964(5) 0.0149(5) 0.2358(4)
C6 C 1.2201(5) 0.0807(5) 0.2948(4)
H4 H 1.29470 0.10700 0.29520
C7 C 1.1284(5) 0.1055(4) 0.3529(4)
C8 C 1.2483(5) 0.1972(6) 0.4322(6)
H5 H 1.24230 0.23960 0.48150
H6 H 1.27510 0.25220 0.36000
H7 H 1.30510 0.12110 0.46530
C9 C 0.5379(5) 0.1623(6) 0.5635(5)
H8 H 0.51030 0.10510 0.53670
H9 H 0.48290 0.23990 0.53620
H10 H 0.54220 0.12410 0.64500
C10 C 0.7064(4) 0.2635(4) 0.5502(4)
C11 C 0.6522(5) 0.3384(4) 0.5986(4)
H11 H 0.57130 0.34020 0.61570
C12 C 0.5644(5) 0.5137(6) 0.6778(6)
H12 H 0.55120 0.57500 0.70900
H13 H 0.53790 0.43590 0.72930
H14 H 0.51990 0.54550 0.60640
C13 C 0.7244(5) 0.4096(4) 0.6200(4)
C14 C 0.8820(4) 0.3309(4) 0.5539(4)
C15 C 0.8587(6) 0.6295(5) 0.9431(4)
H15 H 0.79310 0.63070 0.98730
C16 C 0.6795(6) 0.5000(7) 0.9284(5)
H16 H 0.62540 0.45400 0.90970
H17 H 0.63860 0.58240 0.91560
H18 H 0.70630 0.45460 1.00680
C17 C 0.8624(5) 0.5733(5) 0.8728(4)
C18 C 1.0453(5) 0.6230(4) 0.8229(4)
C19 C 0.9565(6) 0.6849(5) 0.9464(4)
C20 C 1.0519(7) 0.7972(6) 1.0238(5)
H19 H 1.03680 0.83350 1.07730
H20 H 1.06560 0.86250 0.95120
H21 H 1.12180 0.73380 1.04960
N1 N 1.0935(4) -0.0233(4) 0.2324(3)
N2 N 0.9046(4) -0.0289(4) 0.2891(4)
H22 H 0.89380 -0.07210 0.25130
H23 H 0.84660 -0.01030 0.32600
N3 N 1.0215(4) 0.0728(4) 0.3513(3)
N4 N 0.8196(4) 0.2620(3) 0.5246(3)
N5 N 0.9984(4) 0.3284(4) 0.5297(4)
H24 H 1.02900 0.28260 0.49610
H25 H 1.04260 0.37260 0.54770
N6 N 0.8389(4) 0.4041(4) 0.6036(3)
N7 N 0.9554(4) 0.5707(4) 0.8102(3)
N8 N 1.1407(4) 0.6205(4) 0.7626(3)
H26 H 1.14160 0.58470 0.71660
H27 H 1.20200 0.65450 0.76920
N9 N 1.0504(4) 0.6827(4) 0.8886(3)
O1 O 0.6243(4) 0.3176(4) 0.2110(4)
O2 O 0.4867(4) 0.1798(4) 0.3094(4)
O3 O 0.6956(4) 0.1054(4) 0.3317(3)
O4 O 1.2511(7) 0.2393(7) 0.6602(7)
O5 O 1.1544(5) 0.4041(6) 0.6865(4)
O6 O 1.3460(6) 0.4022(8) 0.6202(5)
O7 O 1.2854(4) -0.0123(4) 0.1805(3)
O8 O 1.1345(3) 0.1659(3) 0.4172(3)
O9 O 0.6526(3) 0.1882(3) 0.5235(3)
O10 O 0.6870(3) 0.4912(3) 0.6613(3)
O11 O 0.7783(4) 0.5134(4) 0.8607(3)
O12 O 0.9526(4) 0.7416(4) 1.0143(3)
F1 F 0.6871(5) 0.1576(5) 0.0951(4)
F2 F 0.5073(5) 0.2257(6) 0.0747(4)
F3 F 0.5635(6) 0.0401(4) 0.1788(4)
F4 F 1.2718(6) 0.1878(7) 0.8867(5)
F5 F 1.3355(6) 0.3477(7) 0.8606(5)
F6 F 1.4369(4) 0.2132(4) 0.8214(3)
S1 S 0.59985(13) 0.19298(14) 0.26266(12)
S2 S 1.26187(14) 0.34214(15) 0.68376(12)
#END

data_CSD_CIF_OJEDEN
_audit_creation_date 2010-07-26
_audit_creation_method CSD-ConQuest-V1
_database_code_CSD OJEDEN
_database_code_depnum_ccdc_archive 'CCDC 739074'
_chemical_formula_sum 'C8 H9 Ag1 F3 N3 O4'
_chemical_formula_moiety
;
(C8 H9 Ag1 F3 N3 O4)n
;
_journal_coden_Cambridge 119
_journal_volume 938
_journal_year 2009
_journal_page_first 65
_journal_name_full 'J.Mol.Struct. '
loop_
_publ_author_name
"Geng-Geng Luo"
"Di Sun"
"Na Zhang"
"Rong-Bin Huang"
"Lan-Sun Zheng"
_chemical_name_systematic
;
catena-[(μ₂-2-Amino-4,6-dimethoxypyrimidine)-(trifluoracetato)-silver(i)]
;
_cell_volume   2406.144
_exptl_crystal_density_diffrn 2.076
_diffrn_ambient_temperature 173
#These two values have been output from a single CSD field.
_refine_ls_R_factor_gt 0.038
_refine_ls_wR_factor_gt 0.038
_symmetry_cell_setting orthorhombic
_symmetry_space_group_name_H-M 'P c c n'
_symmetry_Int_Tables_number 56
loop_
_symmetry_equiv_pos_site_id
_symmetry_equiv_pos_as_xyz
1 x,y,z
2 1/2-x,1/2-y,z
3 -x,1/2+y,1/2-z
4 1/2+x,-y,1/2-z
5 -x,-y,-z
6 -1/2+x,-1/2+y,-z
7 x,-1/2-y,-1/2+z
8 -1/2-x,y,-1/2+z
_cell_length_a 13.0259(2)
_cell_length_b 14.2466(3)
_cell_length_c 12.9659(2)
_cell_angle_alpha 90
_cell_angle_beta 90
_cell_angle_gamma 90
_cell_formula_units_Z 8
loop_
_atom_type_symbol
_atom_type_radius_bond
C 0.68
H 0.23
Ag 1.45
F 0.64
N 0.68
O 0.68
loop_
_atom_site_label
_atom_site_type_symbol
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
F1 F 0.0196(4) 0.4325(3) 0.2158(3)
Ag1 Ag -0.20592(3) 0.11957(3) 0.13003(3)
C1 C -0.3438(4) -0.0182(4) 0.4505(4)
C2 C -0.4466(5) -0.1332(4) 0.5347(5)
H1 H -0.47610 -0.14530 0.60290
H2 H -0.50180 -0.12860 0.48360
H3 H -0.40030 -0.18470 0.51590
C3 C -0.0593(4) 0.2889(3) 0.1657(4)
C4 C 0.0114(5) 0.3718(4) 0.1395(5)
C5 C -0.2377(4) 0.0920(3) 0.3811(4)
C6 C -0.3054(4) -0.0204(4) 0.2751(4)
C7 C -0.3545(4) -0.0637(4) 0.3565(4)
H4 H -0.39270 -0.12010 0.34890
C8 C -0.3644(7) -0.1345(5) 0.1551(5)
H5 H -0.36060 -0.14760 0.08100
H6 H -0.43630 -0.12680 0.17550
H7 H -0.33410 -0.18700 0.19350
O1 O -0.1241(3) 0.2674(2) 0.1002(3)
O2 O -0.0419(4) 0.2533(3) 0.2487(3)
O3 O -0.3904(3) -0.0470(3) 0.5370(3)
O4 O -0.3087(4) -0.0498(3) 0.1777(3)
N1 N -0.2875(3) 0.0580(3) 0.4646(3)
N2 N -0.2490(3) 0.0575(3) 0.2842(3)
N3 N -0.1743(3) 0.1629(3) 0.3940(3)
H8 H -0.16520 0.18700 0.45580
H9 H -0.14100 0.18630 0.34080
F2 F -0.0171(4) 0.4188(3) 0.0568(3)
F3 F 0.1065(3) 0.3400(3) 0.1211(4)
Ag1G Ag -0.29408(3) 0.11957(3) 0.63003(3)
N1G N -0.2125(3) 0.0580(3) -0.0354(3)
#END

data_CSD_CIF_OKABOS
_audit_creation_date 2011-03-15
_audit_creation_method CSD-ConQuest-V1
_database_code_CSD OKABOS
_database_code_depnum_ccdc_archive 'CCDC 743743'
_chemical_formula_sum 'C31 H30 Ag2 Cl1 N3 O4 P2'
_chemical_formula_moiety
;
C31 H30 Ag2 N3 P2 1+,Cl1 O4 1-
;
_journal_coden_Cambridge 182
_journal_volume 47
_journal_year 2011
_journal_page_first 1461
_journal_name_full 'Chem.Commun. '
loop_
_publ_author_name
"Di Sun"
"Geng-Geng Luo"
"Na Zhang"
"Rong-Bin Huang"
"Lan-Sun Zheng"
_chemical_name_systematic
;
(μ₂-4,6-dimethylpyrimidin-2-amido)-(μ₂-bis(diphenylphosphino)methane)-di
-silver(i) perchlorate
;
_cell_volume   6551.730
_exptl_crystal_colour 'yellow'
_exptl_crystal_density_diffrn 1.666
_exptl_crystal_description 'block'
_diffrn_ambient_temperature 298
#These two values have been output from a single CSD field.
_refine_ls_R_factor_gt 0.0423
_refine_ls_wR_factor_gt 0.0423
_symmetry_cell_setting monoclinic
_symmetry_space_group_name_H-M 'P 21/c'
_symmetry_Int_Tables_number 14
loop_
_symmetry_equiv_pos_site_id
_symmetry_equiv_pos_as_xyz
1 x,y,z
2 -x,1/2+y,1/2-z
3 -x,-y,-z
4 x,-1/2-y,-1/2+z
_cell_length_a 12.670(3)
_cell_length_b 16.694(3)
_cell_length_c 30.990(6)
_cell_angle_alpha 90
_cell_angle_beta 91.75(3)
_cell_angle_gamma 90
_cell_formula_units_Z 8
loop_
_atom_type_symbol
_atom_type_radius_bond
C 0.68
H 0.23
Ag 1.45
Cl 0.99
N 0.68
O 0.68
P 1.05
loop_
_atom_site_label
_atom_site_type_symbol
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
Ag1 Ag 0.58867(4) 0.95923(4) 0.557351(14)
Ag2 Ag 0.38215(3) 0.91877(3) 0.526499(13)
Ag3 Ag -0.07060(4) 0.46270(3) 0.446936(14)
Ag4 Ag 0.05997(3) 0.60447(3) 0.448993(13)
Cl1 Cl 0.26356(18) 0.40688(11) 0.24592(5)
Cl2 Cl 0.16431(14) 0.79701(10) 0.48308(5)
P1 P 0.14326(11) 0.56759(9) 0.38485(4)
P2 P -0.00801(11) 0.42255(9) 0.37826(4)
P3 P 0.54147(10) 0.99403(9) 0.62839(4)
P4 P 0.31955(10) 0.94685(9) 0.59590(4)
C1 C 0.5725(4) 0.8647(3) 0.47173(16)
C2 C 0.7421(5) 0.8614(4) 0.50269(19)
C3 C 0.7748(5) 0.8142(4) 0.4696(2)
H1 H 0.84360 0.79480 0.46940
C4 C 0.7042(5) 0.7963(4) 0.4369(2)
C5 C 0.8140(5) 0.8863(6) 0.5395(2)
H2 H 0.77590 0.91940 0.55900
H3 H 0.87250 0.91590 0.52860
H4 H 0.83980 0.83960 0.55450
C6 C 0.7362(6) 0.7500(6) 0.3978(3)
H5 H 0.67610 0.74330 0.37850
H6 H 0.76240 0.69830 0.40650
H7 H 0.79050 0.77870 0.38330
C7 C 0.6043(4) 1.0835(3) 0.64995(17)
C8 C 0.7014(5) 1.1043(5) 0.6352(2)
H8 H 0.73280 1.07280 0.61440
C9 C 0.7530(6) 1.1713(5) 0.6509(3)
H9 H 0.81880 1.18500 0.64060
C10 C 0.7088(6) 1.2172(5) 0.6811(2)
H10 H 0.74480 1.26170 0.69210
C11 C 0.6132(6) 1.1990(5) 0.6953(3)
H11 H 0.58220 1.23180 0.71560
C12 C 0.5603(6) 1.1325(5) 0.6803(3)
H12 H 0.49410 1.12040 0.69070
C13 C 0.3151(4) 0.8551(3) 0.62697(17)
C14 C 0.3435(6) 0.7847(4) 0.6076(2)
H13 H 0.36390 0.78500 0.57900
C15 C 0.3418(7) 0.7132(5) 0.6302(3)
H14 H 0.36150 0.66590 0.61670
C16 C 0.3116(7) 0.7117(5) 0.6721(3)
H15 H 0.30960 0.66350 0.68710
C17 C 0.2847(7) 0.7805(5) 0.6916(3)
H16 H 0.26570 0.77990 0.72040
C18 C 0.2850(6) 0.8517(4) 0.6694(2)
H17 H 0.26460 0.89840 0.68310
C19 C 0.1903(4) 0.9946(3) 0.59725(17)
C20 C 0.1512(5) 1.0269(4) 0.6345(2)
H18 H 0.19090 1.02380 0.66020
C21 C 0.0535(5) 1.0638(4) 0.6339(2)
H19 H 0.02720 1.08500 0.65910
C22 C -0.0044(5) 1.0691(4) 0.5959(2)
H20 H -0.06970 1.09450 0.59540
C23 C 0.0331(5) 1.0374(4) 0.5591(2)
H21 H -0.00690 1.04070 0.53350
C24 C 0.1305(4) 1.0001(3) 0.55949(18)
H22 H 0.15580 0.97870 0.53410
C25 C 0.5608(4) 0.9190(4) 0.67011(19)
C26 C 0.6068(6) 0.8479(5) 0.6598(3)
H23 H 0.62760 0.83840 0.63180
C27 C 0.6227(8) 0.7892(6) 0.6917(4)
H24 H 0.65670 0.74160 0.68500
C28 C 0.5891(7) 0.8012(6) 0.7318(3)
H25 H 0.59760 0.76120 0.75250
C29 C 0.5436(7) 0.8702(6) 0.7421(2)
H26 H 0.52190 0.87850 0.77010
C30 C 0.5282(6) 0.9296(5) 0.7116(2)
H27 H 0.49550 0.97720 0.71920
C31 C -0.1396(5) 0.6030(3) 0.50670(16)
C32 C -0.2982(6) 0.6275(5) 0.5372(2)
C33 C -0.3408(6) 0.5599(5) 0.5167(3)
H28 H -0.41110 0.54570 0.52000
C34 C -0.2760(5) 0.5153(4) 0.4918(2)
C35 C -0.3150(6) 0.4417(5) 0.4683(3)
H29 H -0.25840 0.41860 0.45260
H30 H -0.37170 0.45610 0.44860
H31 H -0.33980 0.40350 0.48880
C36 C -0.3633(7) 0.6791(6) 0.5658(3)
H32 H -0.32080 0.72250 0.57700
H33 H -0.38810 0.64760 0.58940
H34 H -0.42260 0.70020 0.54950
C37 C 0.2864(5) 0.5785(4) 0.38396(19)
C38 C 0.3487(5) 0.5308(5) 0.3591(3)
H35 H 0.31710 0.49250 0.34120
C39 C 0.4575(6) 0.5385(6) 0.3602(3)
H36 H 0.49900 0.50580 0.34340
C40 C 0.5026(7) 0.5956(7) 0.3866(4)
H37 H 0.57570 0.60140 0.38760
C41 C 0.4437(7) 0.6434(6) 0.4113(4)
H38 H 0.47580 0.68130 0.42930
C42 C 0.3347(6) 0.6357(5) 0.4095(3)
H39 H 0.29380 0.66970 0.42590
C43 C 0.0863(4) 0.6230(3) 0.33950(17)
C44 C 0.0197(5) 0.6856(4) 0.3476(2)
H40 H 0.00750 0.69980 0.37600
C45 C -0.0299(6) 0.7284(5) 0.3143(2)
H41 H -0.07550 0.77030 0.32030
C46 C -0.0103(7) 0.7075(5) 0.2722(2)
H42 H -0.04240 0.73560 0.24940
C47 C 0.0562(7) 0.6458(5) 0.2641(2)
H43 H 0.06890 0.63180 0.23570
C48 C 0.1050(6) 0.6036(4) 0.29739(19)
H44 H 0.15070 0.56180 0.29130
C49 C -0.0870(4) 0.4541(4) 0.33173(18)
C50 C -0.1628(6) 0.5124(5) 0.3368(3)
H45 H -0.17410 0.53370 0.36400
C51 C -0.2221(8) 0.5393(7) 0.3013(4)
H46 H -0.27150 0.57980 0.30460
C52 C -0.2089(8) 0.5073(8) 0.2622(3)
H47 H -0.24970 0.52550 0.23880
C53 C -0.1375(8) 0.4495(7) 0.2565(3)
H48 H -0.12980 0.42710 0.22930
C54 C -0.0750(6) 0.4228(5) 0.2912(2)
H49 H -0.02440 0.38350 0.28690
C55 C 0.0127(4) 0.3156(3) 0.37147(17)
C56 C 0.0880(5) 0.2837(4) 0.3450(2)
H50 H 0.13160 0.31780 0.32980
C57 C 0.0994(6) 0.2024(4) 0.3408(2)
H51 H 0.15050 0.18160 0.32300
C58 C 0.0350(7) 0.1520(4) 0.3629(3)
H52 H 0.04100 0.09680 0.35950
C59 C -0.0389(7) 0.1831(5) 0.3900(3)
H53 H -0.08120 0.14870 0.40560
C60 C -0.0502(5) 0.2640(4) 0.3942(2)
H54 H -0.10040 0.28450 0.41250
C61 C 0.4002(4) 1.0167(3) 0.62850(16)
H55 H 0.38900 1.07060 0.61760
H56 H 0.37680 1.01540 0.65800
C62 C 0.1244(4) 0.4620(3) 0.36985(17)
H57 H 0.14030 0.45580 0.33960
H58 H 0.17490 0.42990 0.38650
N1 N 0.4716(4) 0.8877(3) 0.47291(14)
H59 H 0.43860 0.89020 0.44830
N2 N 0.6414(3) 0.8884(3) 0.50393(14)
N3 N 0.6044(4) 0.8205(3) 0.43742(15)
N4 N -0.1756(4) 0.5353(3) 0.48632(15)
N5 N -0.0383(4) 0.6246(3) 0.50151(14)
H60 H -0.00950 0.65040 0.52280
N6 N -0.1986(4) 0.6480(3) 0.53282(16)
O1 O 0.1504(9) 0.402(1) 0.2438(5)
O2 O 0.2808(10) 0.3869(4) 0.2860(2)
O3 O 0.2827(7) 0.4863(4) 0.2358(2)
O4 O 0.2952(6) 0.3581(5) 0.21348(19)
O5 O 0.1296(5) 0.7616(3) 0.44390(17)
O6 O 0.2122(4) 0.8737(3) 0.47303(18)
O7 O 0.0747(6) 0.8138(5) 0.5077(2)
O8 O 0.2318(9) 0.7467(6) 0.5047(3)
#END

data_CSD_CIF_OKOVOA
_audit_creation_date 2011-05-12
_audit_creation_method CSD-ConQuest-V1
_database_code_CSD OKOVOA
_database_code_depnum_ccdc_archive 'CCDC 771824'
_chemical_formula_sum 'C18 H16 Ag2 N6 O6 S2'
_chemical_formula_moiety
;
(C18 H16 Ag2 N6 O6 S2)n
;
_journal_coden_Cambridge 119
_journal_volume 981
_journal_year 2010
_journal_page_first 80
_journal_name_full 'J.Mol.Struct. '
loop_
_publ_author_name
"Di Sun"
"Na Zhang"
"Zhan-Hua Wei"
"Cheng-Feng Yang"
"Rong-Bin Huang"
"Lan-Sun Zheng"
_chemical_name_systematic
;
catena-[(μ₂-Naphthalene-1,5-disulfonato)-bis(μ₂-2-aminopyrimidine)-di-si
lver]
;
_cell_volume   1040.877
_exptl_crystal_colour 'colorless'
_exptl_crystal_density_diffrn 2.209
_exptl_crystal_description 'block'
_diffrn_ambient_temperature 298
#These two values have been output from a single CSD field.
_refine_ls_R_factor_gt 0.0678
_refine_ls_wR_factor_gt 0.0678
_symmetry_cell_setting monoclinic
_symmetry_space_group_name_H-M 'P 21/n'
_symmetry_Int_Tables_number 14
loop_
_symmetry_equiv_pos_site_id
_symmetry_equiv_pos_as_xyz
1 x,y,z
2 1/2-x,1/2+y,1/2-z
3 -x,-y,-z
4 -1/2+x,-1/2-y,-1/2+z
_cell_length_a 8.7012(12)
_cell_length_b 12.620(3)
_cell_length_c 9.4980(15)
_cell_angle_alpha 90
_cell_angle_beta 93.628(14)
_cell_angle_gamma 90
_cell_formula_units_Z 2
loop_
_atom_type_symbol
_atom_type_radius_bond
C 0.68
H 0.23
Ag 1.45
N 0.68
O 0.68
S 1.02
loop_
_atom_site_label
_atom_site_type_symbol
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
Ag1 Ag 0.56198(9) 0.20483(7) 0.37465(8)
S1 S 0.7043(3) -0.0631(2) 0.3136(2)
C1 C 0.3032(8) 0.2323(7) 0.1271(8)
C2 C 0.2800(11) 0.0845(8) 0.2682(8)
H1 H 0.31690 0.04250 0.34350
C3 C 0.1469(11) 0.0550(8) 0.1929(10)
H2 H 0.09160 -0.00490 0.21580
C4 C 0.1009(10) 0.1188(8) 0.0831(10)
H3 H 0.01320 0.09940 0.02810
C5 C 0.6622(13) 0.0928(8) 0.0609(12)
H4 H 0.73870 0.09900 0.13340
C6 C 0.5536(10) -0.0005(8) 0.0589(9)
C7 C 0.5614(12) -0.0720(9) 0.1655(11)
C8 C 0.4605(12) -0.1517(10) 0.1534(13)
H5 H 0.46310 -0.20150 0.22570
C9 C 0.6498(10) 0.1662(8) -0.0395(11)
H6 H 0.71260 0.22590 -0.03480
N1 N 0.3754(8) 0.3207(6) 0.0987(8)
H7 H 0.45640 0.33930 0.14940
H8 H 0.34160 0.36000 0.02940
N2 N 0.3585(8) 0.1718(6) 0.2366(7)
N3 N 0.1723(8) 0.2064(6) 0.0493(7)
O1 O 0.6448(11) -0.1442(9) 0.4106(8)
O2 O 0.7060(12) 0.0353(7) 0.3713(9)
O3 O 0.8397(8) -0.1015(6) 0.2597(7)
Ag1C Ag 0.06198(9) 0.29517(7) -0.12535(8)
Ag1A Ag -0.06198(9) -0.29517(7) -0.87465(8)
Ag1B Ag 0.43802(9) -0.20483(7) -0.37465(8)
S1B S 0.2957(3) 0.0631(2) -0.3136(2)
C1A C 0.1968(8) -0.2677(7) -0.6271(8)
C2A C 0.2200(11) -0.4155(8) -0.7682(8)
H1A H 0.18310 -0.45750 -0.84350
C3A C 0.3531(11) -0.4450(8) -0.6929(10)
H2A H 0.40840 -0.50490 -0.71580
C4A C 0.3991(10) -0.3812(8) -0.5831(10)
H3A H 0.48680 -0.40060 -0.52810
C5B C 0.3378(13) -0.0928(8) -0.0609(12)
H4B H 0.26130 -0.09900 -0.13340
C6B C 0.4464(10) 0.0005(8) -0.0589(9)
C7B C 0.4386(12) 0.0720(9) -0.1655(11)
C8B C 0.5395(12) 0.1517(10) -0.1534(13)
H5B H 0.53690 0.20150 -0.22570
C9B C 0.3502(10) -0.1662(8) 0.0395(11)
H6B H 0.28740 -0.22590 0.03480
N1A N 0.1246(8) -0.1793(6) -0.5987(8)
H7A H 0.04360 -0.16070 -0.64940
H8A H 0.15840 -0.14000 -0.52940
N2A N 0.1415(8) -0.3282(6) -0.7366(7)
N2B N 0.6415(8) -0.1718(6) -0.2366(7)
N3C N 0.6723(8) 0.2936(6) 0.5493(7)
N3A N 0.3277(8) -0.2936(6) -0.5493(7)
O1B O 0.3552(11) 0.1442(9) -0.4106(8)
O2B O 0.2940(12) -0.0353(7) -0.3713(9)
O3B O 0.1603(8) 0.1015(6) -0.2597(7)
#END

data_CSD_CIF_OKOVUG
_audit_creation_date 2011-05-12
_audit_creation_method CSD-ConQuest-V1
_database_code_CSD OKOVUG
_database_code_depnum_ccdc_archive 'CCDC 771825'
_chemical_formula_sum 'C22 H24 Ag2 N6 O6 S2'
_chemical_formula_moiety
;
(C22 H24 Ag2 N6 O6 S2)n
;
_journal_coden_Cambridge 119
_journal_volume 981
_journal_year 2010
_journal_page_first 80
_journal_name_full 'J.Mol.Struct. '
loop_
_publ_author_name
"Di Sun"
"Na Zhang"
"Zhan-Hua Wei"
"Cheng-Feng Yang"
"Rong-Bin Huang"
"Lan-Sun Zheng"
_chemical_name_systematic
;
catena-[(μ₂-Naphthalene-1,5-disulfonato)-bis(μ₂-2-amino-4,6-dimethylpyri
midine)-di-silver]
;
_cell_volume   1258.613
_exptl_crystal_colour 'colorless'
_exptl_crystal_density_diffrn 1.975
_exptl_crystal_description 'block'
_diffrn_ambient_temperature 298
#These two values have been output from a single CSD field.
_refine_ls_R_factor_gt 0.0306
_refine_ls_wR_factor_gt 0.0306
_symmetry_cell_setting monoclinic
_symmetry_space_group_name_H-M 'P 21/c'
_symmetry_Int_Tables_number 14
loop_
_symmetry_equiv_pos_site_id
_symmetry_equiv_pos_as_xyz
1 x,y,z
2 -x,1/2+y,1/2-z
3 -x,-y,-z
4 x,-1/2-y,-1/2+z
_cell_length_a 10.334(2)
_cell_length_b 11.744(2)
_cell_length_c 12.855(5)
_cell_angle_alpha 90
_cell_angle_beta 126.221(19)
_cell_angle_gamma 90
_cell_formula_units_Z 2
loop_
_atom_type_symbol
_atom_type_radius_bond
C 0.68
H 0.23
Ag 1.45
N 0.68
O 0.68
S 1.02
loop_
_atom_site_label
_atom_site_type_symbol
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
Ag1 Ag 0.22353(3) 0.78932(2) 0.32513(2)
S1 S 0.00880(12) 1.04848(7) 0.26952(8)
C1 C 0.1354(5) 1.1582(3) 0.1639(4)
H1 H 0.17540 1.20750 0.23320
C2 C 0.0468(4) 1.0664(3) 0.1509(3)
C3 C -0.0164(3) 0.9895(3) 0.0462(3)
C4 C -0.1096(4) 0.8922(3) 0.0285(3)
H2 H -0.13140 0.87720 0.08770
C5 C 0.1672(5) 1.1791(3) 0.0728(4)
H3 H 0.22790 1.24210 0.08240
C6 C 0.5424(4) 0.8488(3) 0.0171(4)
H4 H 0.46320 0.87250 -0.07030
H5 H 0.58540 0.77630 0.01720
H6 H 0.62720 0.90400 0.05990
C7 C 0.4885(5) 0.9624(3) 0.3661(4)
H7 H 0.40380 0.96070 0.37640
H8 H 0.50590 1.03940 0.35200
H9 H 0.58520 0.93320 0.44270
C8 C 0.4431(4) 0.8907(3) 0.2532(3)
C9 C 0.5199(4) 0.9033(3) 0.1948(3)
H10 H 0.60510 0.95380 0.22750
C10 C 0.4663(4) 0.8388(3) 0.0865(3)
C11 C 0.2838(4) 0.7504(3) 0.1069(3)
N1 N 0.3458(3) 0.7643(2) 0.0396(2)
N2 N 0.1748(4) 0.6688(3) 0.0686(3)
H11 H 0.14600 0.62710 0.00320
H12 H 0.13330 0.65780 0.10920
N3 N 0.3265(3) 0.8135(2) 0.2112(2)
O1 O -0.1596(4) 1.0606(4) 0.2046(3)
O2 O 0.0930(7) 1.1378(4) 0.3605(4)
O3 O 0.0659(4) 0.9383(3) 0.3245(3)
Ag1B Ag -0.22353(3) 1.21068(2) -0.32513(2)
Ag1A Ag -0.22353(3) 1.28932(2) 0.17487(2)
Ag1C Ag 0.22353(3) 0.71068(2) -0.17487(2)
S1B S -0.00880(12) 0.95152(7) -0.26952(8)
C1B C -0.1354(5) 0.8418(3) -0.1639(4)
H1B H -0.17540 0.79250 -0.23320
C2B C -0.0468(4) 0.9336(3) -0.1509(3)
C3B C 0.0164(3) 1.0105(3) -0.0462(3)
C4B C 0.1096(4) 1.1078(3) -0.0285(3)
H2B H 0.13140 1.12280 -0.08770
C5B C -0.1672(5) 0.8209(3) -0.0728(4)
H3B H -0.22790 0.75790 -0.08240
C6B C -0.5424(4) 1.1512(3) -0.0171(4)
H4B H -0.46320 1.12750 0.07030
H5B H -0.58540 1.22370 -0.01720
H6B H -0.62720 1.09600 -0.05990
C7B C -0.4885(5) 1.0376(3) -0.3661(4)
H7B H -0.40380 1.03930 -0.37640
H8B H -0.50590 0.96060 -0.35200
H9B H -0.58520 1.06680 -0.44270
C8B C -0.4431(4) 1.1093(3) -0.2532(3)
C9B C -0.5199(4) 1.0967(3) -0.1948(3)
H10B H -0.60510 1.04620 -0.22750
C10B C -0.4663(4) 1.1612(3) -0.0865(3)
C11B C -0.2838(4) 1.2496(3) -0.1069(3)
N1B N -0.3458(3) 1.2357(2) -0.0396(2)
N1A N -0.3458(3) 1.2643(2) -0.5396(2)
N1C N 0.3458(3) 0.7357(2) 0.5396(2)
N2B N -0.1748(4) 1.3312(3) -0.0686(3)
H11B H -0.14600 1.37290 -0.00320
H12B H -0.13330 1.34220 -0.10920
N3B N -0.3265(3) 1.1865(2) -0.2112(2)
O1B O 0.1596(4) 0.9394(4) -0.2046(3)
O2B O -0.0930(7) 0.8622(4) -0.3605(4)
O3B O -0.0659(4) 1.0617(3) -0.3245(3)
#END

data_CSD_CIF_OPANAV
_audit_creation_date 2011-06-24
_audit_creation_method CSD-ConQuest-V1
_database_code_CSD OPANAV
_database_code_depnum_ccdc_archive 'CCDC 742807'
_chemical_formula_sum 'C27 H30 Ag3 N9 O6'
_chemical_formula_moiety
;
(C27 H30 Ag3 N9 O6)n
;
_journal_coden_Cambridge 1295
_journal_volume 13
_journal_year 2010
_journal_page_first 10
_journal_name_full 'Inorg.Chem.Commun. '
loop_
_publ_author_name
"Geng-Geng Luo"
"Di Sun"
"Na Zhang"
"Qin-Juan Xu"
"Li-Rong Lin"
"Rong-Bin Huang"
"Lan-Sun Zheng"
_chemical_name_systematic
;
catena-((μ₆-benzene-1,3,5-tricarboxylato)-tris(μ₂-4,6-dimethylpyrimidin-
2-amine)-tri-silver)
;
_cell_volume   4513.343
_exptl_crystal_density_diffrn 1.987
_diffrn_ambient_temperature 293
#These two values have been output from a single CSD field.
_refine_ls_R_factor_gt 0.0245
_refine_ls_wR_factor_gt 0.0245
_symmetry_cell_setting rhombohedral
_symmetry_space_group_name_H-M 'R -3'
_symmetry_Int_Tables_number 148
loop_
_symmetry_equiv_pos_site_id
_symmetry_equiv_pos_as_xyz
1 x,y,z
2 -y,x-y,z
3 -x+y,-x,z
4 2/3+x,1/3+y,1/3+z
5 2/3-y,1/3+x-y,1/3+z
6 2/3-x+y,1/3-x,1/3+z
7 1/3+x,2/3+y,2/3+z
8 1/3-y,2/3+x-y,2/3+z
9 1/3-x+y,2/3-x,2/3+z
10 -x,-y,-z
11 y,-x+y,-z
12 x-y,x,-z
13 -2/3-x,-1/3-y,-1/3-z
14 -2/3+y,-1/3-x+y,-1/3-z
15 -2/3+x-y,-1/3+x,-1/3-z
16 -1/3-x,-2/3-y,-2/3-z
17 -1/3+y,-2/3-x+y,-2/3-z
18 -1/3+x-y,-2/3+x,-2/3-z
_cell_length_a 17.1797(3)
_cell_length_b 17.1797(3)
_cell_length_c 17.6578(4)
_cell_angle_alpha 90
_cell_angle_beta 90
_cell_angle_gamma 120
_cell_formula_units_Z 6
loop_
_atom_type_symbol
_atom_type_radius_bond
C 0.68
H 0.23
Ag 1.45
N 0.68
O 0.68
loop_
_atom_site_label
_atom_site_type_symbol
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
C1 C 0.3177(2) -0.2616(2) 0.04699(16)
H1 H 0.30720 -0.21340 0.04710
C2 C 0.8842(2) 0.1110(2) -0.05604(18)
H2 H 0.94110 0.12850 -0.03690
C3 C 0.8340(2) 0.1325(3) 0.07218(18)
H3 H 0.85350 0.09590 0.09770
H4 H 0.77970 0.12420 0.09520
H5 H 0.87990 0.19460 0.07590
C4 C 0.9335(2) 0.0933(3) -0.18602(19)
H6 H 0.90690 0.07520 -0.23530
H7 H 0.95410 0.05350 -0.16930
H8 H 0.98340 0.15360 -0.18840
C5 C 0.4838(2) -0.1509(2) 0.04507(16)
C6 C 0.7210(2) 0.0618(2) -0.11143(16)
C7 C 0.4054(2) -0.2455(2) 0.04688(16)
C8 C 0.8168(2) 0.1060(2) -0.00916(17)
C9 C 0.8650(2) 0.0896(2) -0.13142(18)
O1 O 0.46719(15) -0.08695(15) 0.04461(12)
O2 O 0.56187(15) -0.13901(16) 0.04370(13)
N1 N 0.73436(18) 0.07843(17) -0.03608(14)
N2 N 0.63946(19) 0.0396(2) -0.13937(15)
H9 H 0.59830 0.03650 -0.10970
H10 H 0.62860 0.02860 -0.18690
N3 N 0.78367(18) 0.06520(18) -0.16016(14)
Ag1 Ag 0.618014(16) 0.041625(16) 0.044561(12)
C1B C 0.4207(2) -0.3177(2) 0.04699(16)
C1A C 0.2616(2) -0.4207(2) 0.04699(16)
H1B H 0.47940 -0.30720 0.04710
H1A H 0.21340 -0.47940 0.04710
C2D C 0.555667(200) 0.106533(200) 0.277293(180)
C2A C -0.1110(2) -0.2268(2) -0.05604(18)
H2D H 0.53817 0.14593 0.29643
H2A H -0.12850 -0.18740 -0.03690
C3D C 0.534167(200) 0.034833(300) 0.405513(180)
C3A C -0.1325(2) -0.2985(3) 0.07218(18)
H3D H 0.57077 0.09093 0.43103
H3A H -0.09590 -0.24240 0.09770
H4D H 0.54247 -0.01117 0.42853
H4A H -0.12420 -0.34450 0.09520
H5D H 0.47207 0.01863 0.40923
H5A H -0.19460 -0.31470 0.07590
C4D C 0.573367(200) 0.173533(300) 0.147313(190)
C4A C -0.0933(2) -0.1598(3) -0.18602(19)
H6D H 0.59147 0.16503 0.09803
H6A H -0.07520 -0.16830 -0.23530
H7D H 0.61317 0.23393 0.16403
H7A H -0.05350 -0.09940 -0.16930
H8D H 0.51307 0.16313 0.14493
H8A H -0.15360 -0.17020 -0.18840
C5A C 0.1509(2) -0.3653(2) 0.04507(16)
C5B C 0.3653(2) -0.4838(2) 0.04507(16)
C6D C 0.604867(200) -0.007467(200) 0.221903(160)
C6A C -0.0618(2) -0.3408(2) -0.11143(16)
C7B C 0.3491(2) -0.4054(2) 0.04688(16)
C7A C 0.2455(2) -0.3491(2) 0.04688(16)
C8D C 0.560667(200) 0.044133(200) 0.324173(170)
C8A C -0.1060(2) -0.2892(2) -0.00916(17)
C9D C 0.577067(200) 0.108733(200) 0.201913(180)
C9A C -0.0896(2) -0.2246(2) -0.13142(18)
O1A O 0.08695(15) -0.44586(15) 0.04461(12)
O1B O 0.44586(15) -0.46719(15) 0.04461(12)
O1I O 0.53281(15) 0.08695(15) -0.04461(12)
O1J O -0.08695(15) -0.55414(15) -0.04461(12)
O1K O 0.55414(15) -0.53281(15) -0.04461(12)
O2A O 0.13901(15) -0.29912(16) 0.04370(13)
O2B O 0.29912(15) -0.56187(16) 0.04370(13)
N1D N 0.588237(180) -0.010737(170) 0.297253(140)
N1A N -0.07843(18) -0.34407(17) -0.03608(14)
N1B N 0.34407(18) -0.73436(17) -0.03608(14)
N2D N 0.627067(190) -0.066807(200) 0.193963(150)
N2A N -0.03960(19) -0.40014(20) -0.13937(15)
H9D H 0.63017 -0.10487 0.22363
H9A H -0.03650 -0.43820 -0.10970
H10D H 0.63807 -0.06667 0.14643
H10A H -0.02860 -0.40000 -0.18690
N3D N 0.601467(180) 0.051803(180) 0.173173(140)
N3A N -0.06520(18) -0.28153(18) -0.16016(14)
N3E N -0.051803(180) -0.450337(180) 0.173173(140)
N3C N 0.450337(180) -0.601467(180) 0.173173(140)
Ag1A Ag -0.041625(16) -0.423611(16) 0.044561(12)
Ag1B Ag 0.423611(16) -0.618014(16) 0.044561(12)
Ag1I Ag 0.381986(16) -0.041625(16) -0.044561(12)
Ag1H Ag 0.756944(16) 0.048653(16) -0.288772(12)
Ag1J Ag 0.041625(16) -0.576389(16) -0.044561(12)
Ag1K Ag 0.576389(16) -0.381986(16) -0.044561(12)
Ag1D Ag 0.625042(16) -0.090278(16) 0.377894(12)
Ag1F Ag -0.048653(16) -0.291708(16) -0.288772(12)
#END

data_CSD_CIF_OPANEZ
_audit_creation_date 2011-06-24
_audit_creation_method CSD-ConQuest-V1
_database_code_CSD OPANEZ
_database_code_depnum_ccdc_archive 'CCDC 742808'
_chemical_formula_sum 'C20 H22 Ag2 N6 O4'
_chemical_formula_moiety
;
(C20 H22 Ag2 N6 O4)n
;
_journal_coden_Cambridge 1295
_journal_volume 13
_journal_year 2010
_journal_page_first 10
_journal_name_full 'Inorg.Chem.Commun. '
loop_
_publ_author_name
"Geng-Geng Luo"
"Di Sun"
"Na Zhang"
"Qin-Juan Xu"
"Li-Rong Lin"
"Rong-Bin Huang"
"Lan-Sun Zheng"
_chemical_name_systematic
;
catena-((μ₄-terephthalato)-bis(μ₂-4,6-dimethylpyrimidin-2-amine)-di-silv
er)
;
_cell_volume   2250.134
_exptl_crystal_density_diffrn 1.848
_diffrn_ambient_temperature 298
#These two values have been output from a single CSD field.
_refine_ls_R_factor_gt 0.0351
_refine_ls_wR_factor_gt 0.0351
_symmetry_cell_setting monoclinic
_symmetry_space_group_name_H-M 'C 2/c'
_symmetry_Int_Tables_number 15
loop_
_symmetry_equiv_pos_site_id
_symmetry_equiv_pos_as_xyz
1 x,y,z
2 -x,y,1/2-z
3 1/2+x,1/2+y,z
4 1/2-x,1/2+y,1/2-z
5 -x,-y,-z
6 x,-y,-1/2+z
7 -1/2-x,-1/2-y,-z
8 -1/2+x,-1/2-y,-1/2+z
_cell_length_a 19.458(4)
_cell_length_b 11.370(2)
_cell_length_c 12.870(3)
_cell_angle_alpha 90
_cell_angle_beta 127.79(3)
_cell_angle_gamma 90
_cell_formula_units_Z 4
loop_
_atom_type_symbol
_atom_type_radius_bond
C 0.68
H 0.23
Ag 1.32
N 0.72
O 0.71
loop_
_atom_site_label
_atom_site_type_symbol
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
Ag1 Ag 0.08840(2) 0.05768(2) 0.38709(3)
C1 C 0.2586(3) -0.1523(4) 0.3285(4)
H1 H 0.30360 -0.20580 0.38020
C2 C 0.2186(3) -0.1412(4) 0.1959(4)
C3 C 0.2678(4) -0.0900(5) 0.5249(4)
H2 H 0.24060 -0.03300 0.54410
H3 H 0.25810 -0.16740 0.54320
H4 H 0.32920 -0.07480 0.57860
C4 C 0.2297(3) -0.0816(4) 0.3825(4)
C5 C 0.2415(4) -0.2204(5) 0.1274(5)
H5 H 0.20720 -0.19930 0.03620
H6 H 0.30210 -0.21180 0.16730
H7 H 0.22980 -0.30060 0.13520
C6 C 0.0065(3) -0.5048(3) 0.3491(4)
H8 H 0.01110 -0.54540 0.41590
C7 C 0.1345(3) 0.0085(3) 0.1820(3)
C8 C 0.00000 -0.7011(5) 0.25000
C9 C 0.00000 -0.5677(4) 0.25000
C10 C 0.00000 -0.3208(4) 0.25000
C11 C 0.00000 -0.1878(4) 0.25000
C12 C 0.0062(3) -0.3837(3) 0.3492(4)
H9 H 0.01010 -0.34330 0.41540
N1 N 0.1662(2) -0.0027(3) 0.3095(3)
N2 N 0.0775(2) 0.0954(3) 0.1105(3)
H10 H 0.05650 0.10470 0.02970
H11 H 0.06190 0.14170 0.14560
N3 N 0.1562(2) -0.0611(3) 0.1212(3)
O1 O 0.0300(2) -0.1367(2) 0.3564(3)
O2 O 0.0267(2) -0.7522(2) 0.3552(3)
Ag1E Ag 0.08840(2) -0.05768(2) 0.88709(3)
Ag1E* Ag 0.08840(2) -0.05768(2) -0.11291(3)
Ag1* Ag 0.08840(2) -0.94232(2) 0.38709(3)
Ag1A Ag -0.08840(2) 0.05768(2) 0.11291(3)
Ag1A* Ag -0.08840(2) -0.94232(2) 0.11291(3)
C1E C 0.2586(3) 0.1523(4) 0.8285(4)
H1E H 0.30360 0.20580 0.88020
C2E C 0.2186(3) 0.1412(4) 0.6959(4)
C3E C 0.2678(4) 0.0900(5) 1.0249(4)
H2E H 0.24060 0.03300 1.04410
H3E H 0.25810 0.16740 1.04320
H4E H 0.32920 0.07480 1.07860
C4E C 0.2297(3) 0.0816(4) 0.8825(4)
C5E C 0.2415(4) 0.2204(5) 0.6274(5)
H5E H 0.20720 0.19930 0.53620
H6E H 0.30210 0.21180 0.66730
H7E H 0.22980 0.30060 0.63520
C6A C -0.0065(3) -0.5048(3) 0.1509(4)
H8A H -0.01110 -0.54540 0.08410
C7E C 0.1345(3) -0.0085(3) 0.6820(3)
C12A C -0.0062(3) -0.3837(3) 0.1508(4)
H9A H -0.01010 -0.34330 0.08460
N1E N 0.1662(2) 0.0027(3) 0.8095(3)
N2E N 0.0775(2) -0.0954(3) 0.6105(3)
H10E H 0.05650 -0.10470 0.52970
H11E H 0.06190 -0.14170 0.64560
N3E N 0.1562(2) 0.0611(3) 0.6212(3)
N3* N 0.1562(2) -0.0611(3) 1.1212(3)
O1A O -0.0300(2) -0.1367(2) 0.1436(3)
O1E O 0.0300(2) 0.1367(2) 0.8564(3)
O2A O -0.0267(2) -0.7522(2) 0.1448(3)
O2* O 0.0267(2) 0.2478(2) 0.3552(3)
O2E O 0.0267(2) -0.2478(2) 0.8552(3)
#END

data_CSD_CIF_OPASEE
_audit_creation_date 2011-06-24
_audit_creation_method CSD-ConQuest-V1
_database_code_CSD OPASEE
_database_code_depnum_ccdc_archive 'CCDC 731630'
_chemical_formula_sum 'C59 H58 Ag2 N6 O5 P4 S1'
_chemical_formula_moiety
;
C58 H54 Ag2 N6 O4 P4 S1,C1 H4 O1
;
_journal_coden_Cambridge 1295
_journal_volume 13
_journal_year 2010
_journal_page_first 62
_journal_name_full 'Inorg.Chem.Commun. '
loop_
_publ_author_name
"Qiong-Hua Jin"
"Li-Li Song"
"Ke-Yi Hu"
"Li-Li Zhou"
"Yuan-Yuan Zhang"
"Rong Wang"
_chemical_name_systematic
;
bis(μ₂-bis(diphenylphosphino)methane)-(μ₂-sulfato)-bis(pyrimidin-2-amine
)-di-silver(i) methanol solvate
;
_cell_volume   3002.628
_exptl_crystal_colour 'colorless'
_exptl_crystal_density_diffrn 1.441
_exptl_crystal_description 'block'
_diffrn_ambient_temperature 298
_refine_special_details
;
O4 disordered by symmetry over two sites with occupancy 0.25.

;
#These two values have been output from a single CSD field.
_refine_ls_R_factor_gt 0.0645
_refine_ls_wR_factor_gt 0.0645
_symmetry_cell_setting monoclinic
_symmetry_space_group_name_H-M 'P 21/m'
_symmetry_Int_Tables_number 11
loop_
_symmetry_equiv_pos_site_id
_symmetry_equiv_pos_as_xyz
1 x,y,z
2 -x,1/2+y,-z
3 -x,-y,-z
4 x,-1/2-y,z
_cell_length_a 10.7068(14)
_cell_length_b 22.018(2)
_cell_length_c 13.3523(18)
_cell_angle_alpha 90
_cell_angle_beta 107.463(2)
_cell_angle_gamma 90
_cell_formula_units_Z 2
loop_
_atom_type_symbol
_atom_type_radius_bond
C 0.68
H 0.23
Ag 1.45
N 0.72
O 0.68
P 1.05
S 1.02
loop_
_atom_site_label
_atom_site_type_symbol
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
Ag1 Ag 0.65026(6) 0.82495(3) 0.30379(5)
P1 P 0.51775(19) 0.82031(9) 0.42385(15)
P2 P 0.59176(19) 0.81981(9) 0.11085(15)
S1 S 0.9357(3) 0.75000 0.3473(3)
N1 N 0.7181(7) 0.9362(3) 0.3185(6)
N2 N 0.8453(8) 1.0204(3) 0.4037(7)
N3 N 0.9136(7) 0.9239(3) 0.4454(7)
H1 H 0.98080 0.93820 0.49240
H2 H 0.90410 0.88530 0.43670
O1 O 0.8734(6) 0.8033(3) 0.3738(6)
O2 O 0.9132(12) 0.75000 0.2330(9)
O3 O 1.0732(8) 0.75000 0.3999(9)
O4? O 0.202(3) 0.7147(12) 0.5990(19)
H3? H 0.17510 0.71720 0.53480
O5 O 0.100(3) 0.75000 0.155(3)
H4? H 0.06400 0.74270 0.19990
C1 C 0.8259(10) 0.9610(4) 0.3871(8)
C2 C 0.7544(12) 1.0565(5) 0.3476(9)
H5 H 0.76550 1.09820 0.35810
C3 C 0.6424(12) 1.0360(5) 0.2734(9)
H6 H 0.57890 1.06190 0.23220
C4 C 0.6337(10) 0.9751(4) 0.2663(8)
H7 H 0.55870 0.95940 0.21850
C5 C 0.4225(11) 0.75000 0.4149(9)
H8 H 0.35290 0.75000 0.34860
H9 H 0.38170 0.75000 0.47070
C6 C 0.6055(9) 0.8296(4) 0.5618(6)
C7 C 0.7375(11) 0.8341(5) 0.5922(8)
H10 H 0.78280 0.83170 0.54280
C8 C 0.8069(13) 0.8425(6) 0.7008(10)
H11 H 0.89740 0.84730 0.72140
C9 C 0.7439(14) 0.8437(6) 0.7732(10)
H12 H 0.79040 0.84650 0.84410
C10 C 0.6188(13) 0.8409(6) 0.7440(9)
H13 H 0.57500 0.84410 0.79430
C11 C 0.5460(11) 0.8332(5) 0.6390(8)
H14 H 0.45530 0.83040 0.62110
C12 C 0.3899(8) 0.8784(4) 0.3968(7)
C13 C 0.4283(10) 0.9385(4) 0.4011(8)
H15 H 0.51690 0.94830 0.42400
C14 C 0.3359(11) 0.9843(5) 0.3717(9)
H16 H 0.36320 1.02450 0.37420
C15 C 0.2049(11) 0.9711(5) 0.3389(9)
H17 H 0.14340 1.00220 0.31930
C16 C 0.1653(10) 0.9117(5) 0.3352(9)
H18 H 0.07650 0.90240 0.31350
C17 C 0.2571(9) 0.8655(4) 0.3635(8)
H19 H 0.22930 0.82530 0.36020
C18 C 0.6372(11) 0.75000 0.0548(9)
H20 H 0.59490 0.75000 -0.02040
H21 H 0.73110 0.75000 0.06640
C19 C 0.4184(8) 0.8308(4) 0.0439(7)
C20 C 0.3391(10) 0.8436(5) 0.1032(9)
H22 H 0.37490 0.84580 0.17580
C21 C 0.2076(12) 0.8534(7) 0.0593(11)
H23 H 0.15500 0.86030 0.10240
C22 C 0.1539(12) 0.8531(6) -0.0456(12)
H24 H 0.06590 0.86250 -0.07540
C23 C 0.2293(12) 0.8390(6) -0.1071(10)
H25 H 0.19180 0.83620 -0.17940
C24 C 0.3626(10) 0.8288(5) -0.0630(8)
H26 H 0.41440 0.82050 -0.10620
C25 C 0.6759(8) 0.8788(4) 0.0606(7)
C26 C 0.8125(9) 0.8796(4) 0.0961(8)
H27 H 0.85770 0.84850 0.13910
C27 C 0.880(1) 0.9258(5) 0.0680(9)
H28 H 0.97100 0.92550 0.09210
C28 C 0.8176(11) 0.9726(5) 0.0052(9)
H29 H 0.86540 1.00370 -0.01330
C29 C 0.6845(10) 0.9729(5) -0.0297(8)
H30 H 0.64060 1.00450 -0.07200
C30 C 0.6136(9) 0.9260(4) -0.0024(7)
H31 H 0.52260 0.92670 -0.02710
C31? C 0.123(5) 0.75000 0.644(2)
H32? H 0.07770 0.78030 0.59420
H33? H 0.17630 0.76950 0.70610
H34? H 0.05990 0.72420 0.66100
C32 C 0.004(5) 0.75000 0.054(4)
H35? H -0.07060 0.77330 0.05660
H36? H 0.04090 0.76760 0.00330
H37? H -0.02260 0.70900 0.03360
Ag1C Ag 0.65026(6) 0.67505(3) 0.30379(5)
P1C P 0.51775(19) 0.67969(9) 0.42385(15)
P2C P 0.59176(19) 0.68019(9) 0.11085(15)
N1C N 0.7181(7) 0.5638(3) 0.3185(6)
N2C N 0.8453(8) 0.4796(3) 0.4037(7)
N3C N 0.9136(7) 0.5761(3) 0.4454(7)
H1C H 0.98080 0.56180 0.49240
H2C H 0.90410 0.61470 0.43670
O1C O 0.8734(6) 0.6967(3) 0.3738(6)
C1C C 0.8259(10) 0.5390(4) 0.3871(8)
C2C C 0.7544(12) 0.4435(5) 0.3476(9)
H5C H 0.76550 0.40180 0.35810
C3C C 0.6424(12) 0.4640(5) 0.2734(9)
H6C H 0.57890 0.43810 0.23220
C4C C 0.6337(10) 0.5249(4) 0.2663(8)
H7C H 0.55870 0.54060 0.21850
C6C C 0.6055(9) 0.6704(4) 0.5618(6)
C7C C 0.7375(11) 0.6659(5) 0.5922(8)
H10C H 0.78280 0.66830 0.54280
C8C C 0.8069(13) 0.6575(6) 0.7008(10)
H11C H 0.89740 0.65270 0.72140
C9C C 0.7439(14) 0.6563(6) 0.7732(10)
H12C H 0.79040 0.65350 0.84410
C10C C 0.6188(13) 0.6591(6) 0.7440(9)
H13C H 0.57500 0.65590 0.79430
C11C C 0.5460(11) 0.6668(5) 0.6390(8)
H14C H 0.45530 0.66960 0.62110
C12C C 0.3899(8) 0.6216(4) 0.3968(7)
C13C C 0.4283(10) 0.5615(4) 0.4011(8)
H15C H 0.51690 0.55170 0.42400
C14C C 0.3359(11) 0.5157(5) 0.3717(9)
H16C H 0.36320 0.47550 0.37420
C15C C 0.2049(11) 0.5289(5) 0.3389(9)
H17C H 0.14340 0.49780 0.31930
C16C C 0.1653(10) 0.5883(5) 0.3352(9)
H18C H 0.07650 0.59760 0.31350
C17C C 0.2571(9) 0.6345(4) 0.3635(8)
H19C H 0.22930 0.67470 0.36020
C19C C 0.4184(8) 0.6692(4) 0.0439(7)
C20C C 0.3391(10) 0.6564(5) 0.1032(9)
H22C H 0.37490 0.65420 0.17580
C21C C 0.2076(12) 0.6466(7) 0.0593(11)
H23C H 0.15500 0.63970 0.10240
C22C C 0.1539(12) 0.6469(6) -0.0456(12)
H24C H 0.06590 0.63750 -0.07540
C23C C 0.2293(12) 0.6610(6) -0.1071(10)
H25C H 0.19180 0.66380 -0.17940
C24C C 0.3626(10) 0.6712(5) -0.0630(8)
H26C H 0.41440 0.67950 -0.10620
C25C C 0.6759(8) 0.6212(4) 0.0606(7)
C26C C 0.8125(9) 0.6204(4) 0.0961(8)
H27C H 0.85770 0.65150 0.13910
C27C C 0.880(1) 0.5742(5) 0.0680(9)
H28C H 0.97100 0.57450 0.09210
C28C C 0.8176(11) 0.5274(5) 0.0052(9)
H29C H 0.86540 0.49630 -0.01330
C29C C 0.6845(10) 0.5271(5) -0.0297(8)
H30C H 0.64060 0.49550 -0.07200
C30C C 0.6136(9) 0.5740(4) -0.0024(7)
H31C H 0.52260 0.57330 -0.02710
#END

data_CSD_CIF_POGPUX
_audit_creation_date 2009-03-09
_audit_creation_method CSD-ConQuest-V1
_database_code_CSD POGPUX
_database_code_depnum_ccdc_archive 'CCDC 646314'
_chemical_formula_sum 'C36 H54 Ag4 N22 O12'
_chemical_formula_moiety
;
C36 H54 Ag4 N22 O12
;
_journal_coden_Cambridge 580
_journal_volume 27
_journal_year 2008
_journal_page_first 3231
_journal_name_full 'Polyhedron '
loop_
_publ_author_name
"Geng-Geng Luo"
"Rong-Bin Huang"
"Na Zhang"
"Li-Rong Lin"
"Lan-Sun Zheng"
_chemical_name_systematic
;
bis(μ₂-2-Amino-4,6-dimethylpyrimidine)-tetrakis((μ₂-nitrato-O,O)-(2-amin
o-4,6-dimethylpyrimidine))-tetra-silver(i)
;
_cell_volume   1262.874
_exptl_crystal_colour 'colorless'
_exptl_crystal_density_diffrn 1.865
_exptl_special_details
;
fluorescent

;
_diffrn_ambient_temperature 298
#These two values have been output from a single CSD field.
_refine_ls_R_factor_gt 0.0371
_refine_ls_wR_factor_gt 0.0371
_symmetry_cell_setting triclinic
_symmetry_space_group_name_H-M 'P -1'
_symmetry_Int_Tables_number 2
loop_
_symmetry_equiv_pos_site_id
_symmetry_equiv_pos_as_xyz
1 x,y,z
2 -x,-y,-z
_cell_length_a 10.309(3)
_cell_length_b 10.309(3)
_cell_length_c 13.410(5)
_cell_angle_alpha 95.582(4)
_cell_angle_beta 95.582(4)
_cell_angle_gamma 115.67
_cell_formula_units_Z 1
loop_
_atom_type_symbol
_atom_type_radius_bond
C 0.68
H 0.23
Ag 1.59
N 0.68
O 0.68
loop_
_atom_site_label
_atom_site_type_symbol
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
Ag1 Ag 0.57666(4) 0.47147(3) 0.77120(2)
Ag2 Ag 0.15338(3) 0.21685(4) 0.36846(2)
C1 C -0.0032(4) 0.1160(4) 0.1462(3)
C2 C -0.0922(4) 0.2477(5) 0.2416(3)
C3 C -0.0866(5) 0.3316(6) 0.3394(3)
H1 H -0.18190 0.32310 0.34550
H2 H -0.05440 0.29390 0.39420
H3 H -0.01990 0.43230 0.34180
C4 C -0.1862(5) 0.2304(5) 0.1589(3)
H4 H -0.25190 0.26980 0.16210
C5 C -0.1846(4) 0.1543(5) 0.0700(3)
C6 C -0.2834(6) 0.1335(6) -0.0244(4)
H5 H -0.32910 0.03270 -0.05430
H6 H -0.35670 0.16280 -0.00880
H7 H -0.22850 0.19170 -0.07120
C7 C 0.8188(4) 0.5482(4) 0.9517(3)
C8 C 0.8483(5) 0.6616(5) 1.1119(3)
C9 C 0.9242(7) 0.6997(7) 1.2180(4)
H8 H 0.91290 0.77950 1.25220
H9 H 1.02590 0.72720 1.21810
H10 H 0.88300 0.61690 1.25240
C10 C 0.7433(5) 0.7014(5) 1.0834(3)
H11 H 0.71990 0.75870 1.12910
C11 C 0.6727(5) 0.6556(4) 0.9866(3)
C12 C 0.5551(6) 0.6917(6) 0.9516(4)
H12 H 0.48150 0.61110 0.90470
H13 H 0.59340 0.77620 0.91860
H14 H 0.51330 0.71140 1.00860
C13 C 0.3352(4) 0.2971(4) 0.5842(3)
C14 C 0.2398(5) 0.0546(5) 0.5182(3)
C15 C 0.1456(7) -0.0679(5) 0.4363(4)
H15 H 0.05700 -0.06130 0.41630
H16 H 0.19580 -0.06300 0.37900
H17 H 0.12320 -0.15870 0.46050
C16 C 0.3134(5) 0.0335(5) 0.5987(3)
H18 H 0.30830 -0.05790 0.60350
C17 C 0.3957(5) 0.1494(4) 0.6731(3)
C18 C 0.4767(6) 0.1319(5) 0.7638(3)
H19 H 0.50710 0.21540 0.81510
H20 H 0.41490 0.04590 0.78930
H21 H 0.56080 0.12310 0.74600
N1 N 0.7430(5) 0.3902(4) 0.6064(3)
N2 N 0.5585(4) 0.7849(4) 0.7165(3)
N3 N 0.0000(3) 0.1885(4) 0.2370(2)
N4 N 0.0880(4) 0.0589(4) 0.1387(3)
H22 H 0.08660 0.01180 0.08170
H23 H 0.14900 0.06870 0.19070
N5 N -0.0935(4) 0.0967(4) 0.0634(3)
N6 N 0.8887(4) 0.5860(4) 1.0464(3)
N7 N 0.8620(4) 0.4777(4) 0.8860(3)
H24 H 0.93270 0.45800 0.90510
H25 H 0.81950 0.45130 0.82400
N8 N 0.7078(3) 0.5764(3) 0.9198(2)
N9 N 0.2503(4) 0.1852(3) 0.5099(2)
N10 N 0.3449(4) 0.4266(4) 0.5765(3)
H26 H 0.39670 0.49870 0.62390
H27 H 0.29950 0.43950 0.52410
N11 N 0.4072(4) 0.2814(3) 0.6665(2)
O1 O 0.6490(5) 0.9138(4) 0.7366(4)
O2 O 0.4341(5) 0.7460(7) 0.7222(4)
O3 O 0.6026(4) 0.6935(4) 0.6933(3)
O4 O 0.7180(4) 0.4978(3) 0.6248(3)
O5 O 0.7665(5) 0.3327(4) 0.6748(3)
O6 O 0.7435(9) 0.3491(7) 0.5212(3)
Ag1A Ag 0.42334(4) 0.52853(3) 0.22880(2)
Ag2A Ag 0.84662(3) 0.78315(4) 0.63154(2)
C1A C 1.0032(4) 0.8840(4) 0.8538(3)
C2A C 1.0922(4) 0.7523(5) 0.7584(3)
C3A C 1.0866(5) 0.6684(6) 0.6606(3)
H1A H 1.18190 0.67690 0.65450
H2A H 1.05440 0.70610 0.60580
H3A H 1.01990 0.56770 0.65820
C4A C 1.1862(5) 0.7696(5) 0.8411(3)
H4A H 1.25190 0.73020 0.83790
C5A C 1.1846(4) 0.8457(5) 0.9300(3)
C6A C 1.2834(6) 0.8665(6) 1.0244(4)
H5A H 1.32910 0.96730 1.05430
H6A H 1.35670 0.83720 1.00880
H7A H 1.22850 0.80830 1.07120
C7A C 0.1812(4) 0.4518(4) 0.0483(3)
C8A C 0.1517(5) 0.3384(5) -0.1119(3)
C9A C 0.0758(7) 0.3003(7) -0.2180(4)
H8A H 0.08710 0.22050 -0.25220
H9A H -0.02590 0.27280 -0.21810
H10A H 0.11700 0.38310 -0.25240
C10A C 0.2567(5) 0.2986(5) -0.0834(3)
H11A H 0.28010 0.24130 -0.12910
C11A C 0.3273(5) 0.3444(4) 0.0134(3)
C12A C 0.4449(6) 0.3083(6) 0.0484(4)
H12A H 0.51850 0.38890 0.09530
H13A H 0.40660 0.22380 0.08140
H14A H 0.48670 0.28860 -0.00860
C13A C 0.6648(4) 0.7029(4) 0.4158(3)
C14A C 0.7602(5) 0.9454(5) 0.4818(3)
C15A C 0.8544(7) 1.0679(5) 0.5637(4)
H15A H 0.94300 1.06130 0.58370
H16A H 0.80420 1.06300 0.62100
H17A H 0.87680 1.15870 0.53950
C16A C 0.6866(5) 0.9665(5) 0.4013(3)
H18A H 0.69170 1.05790 0.39650
C17A C 0.6043(5) 0.8506(4) 0.3269(3)
C18A C 0.5233(6) 0.8681(5) 0.2362(3)
H19A H 0.49290 0.78460 0.18490
H20A H 0.58510 0.95410 0.21070
H21A H 0.43920 0.87690 0.25400
N1A N 0.2570(5) 0.6098(4) 0.3936(3)
N2A N 0.4415(4) 0.2151(4) 0.2835(3)
N3A N 1.0000(3) 0.8115(4) 0.7630(2)
N4A N 0.9120(4) 0.9411(4) 0.8613(3)
H22A H 0.91340 0.98820 0.91830
H23A H 0.85100 0.93130 0.80930
N5A N 1.0935(4) 0.9033(4) 0.9366(3)
N6A N 0.1113(4) 0.4140(4) -0.0464(3)
N7A N 0.1380(4) 0.5223(4) 0.1140(3)
H24A H 0.06730 0.54200 0.09490
H25A H 0.18050 0.54870 0.17600
N8A N 0.2922(3) 0.4236(3) 0.0802(2)
N9A N 0.7497(4) 0.8148(3) 0.4901(2)
N10A N 0.6551(4) 0.5734(4) 0.4235(3)
H26A H 0.60330 0.50130 0.37610
H27A H 0.70050 0.56050 0.47590
N11A N 0.5928(4) 0.7186(3) 0.3335(2)
O1A O 0.3510(5) 0.0862(4) 0.2634(4)
O2A O 0.5659(5) 0.2540(7) 0.2778(4)
O3A O 0.3974(4) 0.3065(4) 0.3067(3)
O4A O 0.2820(4) 0.5022(3) 0.3752(3)
O5A O 0.2335(5) 0.6673(4) 0.3252(3)
O6A O 0.2565(9) 0.6509(7) 0.4788(3)
#END

data_CSD_CIF_POGQAE
_audit_creation_date 2009-03-09
_audit_creation_method CSD-ConQuest-V1
_database_code_CSD POGQAE
_database_code_depnum_ccdc_archive 'CCDC 652463'
_chemical_formula_sum 'C4 H5 Ag1 N4 O3'
_chemical_formula_moiety
;
(C4 H5 Ag1 N4 O3)n
;
_journal_coden_Cambridge 580
_journal_volume 27
_journal_year 2008
_journal_page_first 3231
_journal_name_full 'Polyhedron '
loop_
_publ_author_name
"Geng-Geng Luo"
"Rong-Bin Huang"
"Na Zhang"
"Li-Rong Lin"
"Lan-Sun Zheng"
_chemical_name_systematic
;
catena-((μ₂-2-Aminopyrimidine-N,N')-(nitrato-O)-silver(i))
;
_cell_volume    705.807
_exptl_crystal_colour 'colorless'
_exptl_crystal_density_diffrn 2.494
_exptl_special_details
;
fluorescent

;
_diffrn_ambient_temperature 298
#These two values have been output from a single CSD field.
_refine_ls_R_factor_gt 0.0388
_refine_ls_wR_factor_gt 0.0388
_symmetry_cell_setting monoclinic
_symmetry_space_group_name_H-M 'P 21/n'
_symmetry_Int_Tables_number 14
loop_
_symmetry_equiv_pos_site_id
_symmetry_equiv_pos_as_xyz
1 x,y,z
2 1/2-x,1/2+y,1/2-z
3 -x,-y,-z
4 -1/2+x,-1/2-y,-1/2+z
_cell_length_a 6.9974(17)
_cell_length_b 10.581(3)
_cell_length_c 9.533(2)
_cell_angle_alpha 90
_cell_angle_beta 90.332(4)
_cell_angle_gamma 90
_cell_formula_units_Z 4
loop_
_atom_type_symbol
_atom_type_radius_bond
C 0.68
H 0.23
Ag 1.59
N 0.68
O 0.68
loop_
_atom_site_label
_atom_site_type_symbol
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
Ag1 Ag 0.19864(4) 0.37149(3) 0.60812(3)
O1 O 0.1118(5) 0.6074(3) 0.5823(3)
O2 O 0.1405(5) 0.5543(3) 0.7977(3)
O3 O 0.0333(5) 0.7378(3) 0.7446(3)
N1 N 0.3710(5) 0.3800(3) 0.4066(3)
N2 N 0.5061(5) 0.1836(3) 0.4322(3)
H1 H 0.55990 0.11760 0.39760
H2 H 0.48520 0.18810 0.52090
N3 N 0.4912(4) 0.2666(3) 0.2101(3)
N4 N 0.0953(5) 0.6345(2) 0.7068(3)
C1 C 0.3284(6) 0.4757(3) 0.3211(4)
H3 H 0.27740 0.54910 0.35930
C2 C 0.3572(6) 0.4701(4) 0.1784(4)
H4 H 0.32500 0.53700 0.11950
C3 C 0.4353(6) 0.3612(4) 0.1280(4)
H5 H 0.45010 0.35280 0.03150
C4 C 0.4552(5) 0.2785(3) 0.3486(3)
Ag1C Ag 0.69864(4) 0.12851(3) 0.10812(3)
N3C N -0.0088(4) 0.2334(3) 0.7101(3)
#END

data_CSD_CIF_POGQEI
_audit_creation_date 2009-03-09
_audit_creation_method CSD-ConQuest-V1
_database_code_CSD POGQEI
_database_code_depnum_ccdc_archive 'CCDC 652465'
_chemical_formula_sum 'C6 H9 Ag1 N4 O4'
_chemical_formula_moiety
;
(C6 H9 Ag1 N4 O4)n
;
_journal_coden_Cambridge 580
_journal_volume 27
_journal_year 2008
_journal_page_first 3231
_journal_name_full 'Polyhedron '
loop_
_publ_author_name
"Geng-Geng Luo"
"Rong-Bin Huang"
"Na Zhang"
"Li-Rong Lin"
"Lan-Sun Zheng"
_chemical_name_systematic
;
catena-((μ₂-2-Amino-4-methoxy-6-methylpyrimidine-N,N')-(μ₂-nitrato-O,O')
-silver(i))
;
_cell_volume    952.423
_exptl_crystal_colour 'colorless'
_exptl_crystal_density_diffrn 2.155
_exptl_special_details
;
fluorescent

;
_diffrn_ambient_temperature 293
#These two values have been output from a single CSD field.
_refine_ls_R_factor_gt 0.0192
_refine_ls_wR_factor_gt 0.0192
_symmetry_cell_setting monoclinic
_symmetry_space_group_name_H-M 'P 21/c'
_symmetry_Int_Tables_number 14
loop_
_symmetry_equiv_pos_site_id
_symmetry_equiv_pos_as_xyz
1 x,y,z
2 -x,1/2+y,1/2-z
3 -x,-y,-z
4 x,-1/2-y,-1/2+z
_cell_length_a 9.2083(4)
_cell_length_b 12.2396(5)
_cell_length_c 8.8356(4)
_cell_angle_alpha 90
_cell_angle_beta 106.978(5)
_cell_angle_gamma 90
_cell_formula_units_Z 4
loop_
_atom_type_symbol
_atom_type_radius_bond
C 0.68
H 0.23
Ag 1.59
N 0.68
O 0.68
loop_
_atom_site_label
_atom_site_type_symbol
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
Ag1 Ag 0.084531(19) 0.204054(13) 0.830901(19)
O1 O 0.19560(18) -0.30261(11) 0.94999(18)
O2 O 0.17983(17) 0.32917(13) 1.07742(17)
O3 O 0.36050(19) 0.31098(14) 1.29526(18)
O4 O 0.4095(2) 0.37684(18) 1.0891(2)
N1 N 0.12553(19) 0.02440(14) 0.89500(19)
N2 N -0.0697(2) -0.01948(16) 0.6747(2)
H1 H -0.12440 -0.06650 0.61060
H2 H -0.08760 0.04920 0.65890
N3 N 0.06492(18) -0.16177(16) 0.81593(18)
N4 N 0.3202(2) 0.33968(16) 1.1540(2)
C1 C 0.0424(2) -0.05282(18) 0.7977(2)
C2 C 0.2399(2) -0.01143(17) 1.0175(2)
C3 C 0.3357(3) 0.07198(19) 1.1240(3)
H3 H 0.40860 0.03610 1.20970
H4 H 0.27240 0.11840 1.16540
H5 H 0.38770 0.11520 1.06540
C4 C 0.2706(2) -0.12032(18) 1.0460(2)
H6 H 0.34920 -0.14390 1.13210
C5 C 0.1794(2) -0.19383(17) 0.9407(2)
C6 C 0.3219(3) -0.3467(2) 1.0742(3)
H7 H 0.32560 -0.42460 1.06230
H8 H 0.30870 -0.32990 1.17550
H9 H 0.41500 -0.31500 1.06700
Ag1C Ag 0.084531(19) 0.295946(13) 1.330901(19)
Ag1A Ag -0.084531(19) -0.295946(13) 0.669099(19)
O2C O 0.17983(17) 0.17083(13) 0.57742(17)
O3C O 0.36050(19) 0.18902(14) 0.79526(18)
N3A N -0.06492(18) 0.33823(16) 0.68407(18)
#END

data_CSD_CIF_POGQIM
_audit_creation_date 2009-03-09
_audit_creation_method CSD-ConQuest-V1
_database_code_CSD POGQIM
_database_code_depnum_ccdc_archive 'CCDC 665092'
_chemical_formula_sum 'C6 H9 Ag1 N4 O5'
_chemical_formula_moiety
;
(C6 H9 Ag1 N4 O5)n
;
_journal_coden_Cambridge 580
_journal_volume 27
_journal_year 2008
_journal_page_first 3231
_journal_name_full 'Polyhedron '
loop_
_publ_author_name
"Geng-Geng Luo"
"Rong-Bin Huang"
"Na Zhang"
"Li-Rong Lin"
"Lan-Sun Zheng"
_chemical_name_systematic
;
catena-((μ₂-2-Amino-4,6-dimethoxypyrimidine-N,N')-(μ₂-nitrato-O,O')-silv
er(i))
;
_cell_volume   1873.757
_exptl_crystal_colour 'colorless'
_exptl_crystal_density_diffrn 2.304
_exptl_special_details
;
fluorescent

;
_exptl_crystal_preparation 'ethanol/diethyl ether'
_diffrn_ambient_temperature 293
#These two values have been output from a single CSD field.
_refine_ls_R_factor_gt 0.0215
_refine_ls_wR_factor_gt 0.0215
_symmetry_cell_setting monoclinic
_symmetry_space_group_name_H-M 'C 2/c'
_symmetry_Int_Tables_number 15
loop_
_symmetry_equiv_pos_site_id
_symmetry_equiv_pos_as_xyz
1 x,y,z
2 1/2+x,1/2+y,z
3 -x,y,1/2-z
4 1/2-x,1/2+y,1/2-z
5 -x,-y,-z
6 -1/2-x,-1/2-y,-z
7 x,-y,-1/2+z
8 -1/2+x,-1/2-y,-1/2+z
_cell_length_a 15.0128(8)
_cell_length_b 11.3189(3)
_cell_length_c 12.3862(5)
_cell_angle_alpha 90
_cell_angle_beta 117.096(5)
_cell_angle_gamma 90
_cell_formula_units_Z 8
loop_
_atom_type_symbol
_atom_type_radius_bond
C 0.68
H 0.23
Ag 1.59
N 0.68
O 0.68
loop_
_atom_site_label
_atom_site_type_symbol
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
Ag1 Ag 0.133770(18) 0.578838(19) 0.54633(2)
C1 C 0.1238(2) 0.3323(2) 0.4330(3)
C2 C 0.1214(2) 0.4706(3) 0.2971(3)
C3 C 0.1242(2) 0.2743(2) 0.2523(3)
C4 C 0.12449(19) 0.2411(2) 0.3602(2)
H1 H 0.12510 0.16240 0.38180
C5 C 0.1297(3) 0.0756(2) 0.1966(3)
H2 H 0.13050 0.03180 0.13070
H3 H 0.07190 0.05360 0.20610
H4 H 0.18910 0.05840 0.27000
C6 C 0.1224(2) 0.1949(2) 0.5781(3)
H5 H 0.12280 0.19450 0.65580
H6 H 0.18030 0.15370 0.58370
H7 H 0.06300 0.15630 0.51970
N1 N 0.12268(17) 0.4466(2) 0.4052(2)
N2 N 0.12298(18) 0.3872(2) 0.2195(2)
N3 N 0.1179(2) 0.5818(2) 0.2647(2)
H8 H 0.11660 0.59930 0.19640
H9 H 0.11680 0.63710 0.31170
N4 N 0.3664(2) 0.6534(2) 0.5948(2)
O1 O 0.29790(17) 0.67591(19) 0.6231(2)
O2 O 0.42473(15) 0.73438(18) 0.59853(19)
O3 O 0.3770(2) 0.55099(19) 0.5655(2)
O4 O 0.12588(16) 0.19979(17) 0.17112(18)
O5 O 0.12412(15) 0.31470(17) 0.54087(17)
Ag1F Ag 0.133770(18) 0.421162(19) 0.04633(2)
Ag1E Ag 0.366230(18) 0.921162(19) 0.45367(2)
N2F N 0.12298(18) 0.6128(2) 0.7195(2)
O2E O 0.07527(15) 0.76562(18) 0.40147(19)
#END

data_CSD_CIF_QIGHOD
_audit_creation_date 2001-06-05
_audit_creation_method CSD-ConQuest-V1
_database_code_CSD QIGHOD
_database_code_depnum_ccdc_archive 'CCDC 160910'
_database_code_depnum_ccdc_journal 440/250
_chemical_formula_sum 'C11 H8 Ag1 N5 O6'
_chemical_formula_moiety
;
(C11 H8 Ag1 N5 O6)n
;
_journal_coden_Cambridge 440
_journal_volume 25
_journal_year 2001
_journal_page_first 479
_journal_name_full 'New J.Chem. '
loop_
_publ_author_name
"An-Wu Xu"
"Cheng-Yong Su"
"Ze-Fu Zhang"
"Yue-Peng Cai"
"Chun-Long Chen"
_chemical_name_systematic
;
catena-((μ₂-2-Aminopyrimidine-N,N')-(3,5-dinitrobenzoato-O)-silver(i))
;
_cell_volume   1354.884
_exptl_crystal_colour 'pale yellow'
_exptl_crystal_density_diffrn 2.03
_exptl_crystal_description 'block'
_diffrn_ambient_temperature ?
_diffrn_special_details
;
The study was carried out at room temperature,in the range 283-303K

;
#These two values have been output from a single CSD field.
_refine_ls_R_factor_gt 0.0494
_refine_ls_wR_factor_gt 0.0494
_symmetry_cell_setting monoclinic
_symmetry_space_group_name_H-M 'P 21/c'
_symmetry_Int_Tables_number 14
loop_
_symmetry_equiv_pos_site_id
_symmetry_equiv_pos_as_xyz
1 x,y,z
2 x,1/2-y,1/2+z
3 -x,-y,-z
4 -x,-1/2+y,-1/2-z
_cell_length_a 9.038(6)
_cell_length_b 6.373(3)
_cell_length_c 23.946(16)
_cell_angle_alpha 90
_cell_angle_beta 100.79(2)
_cell_angle_gamma 90
_cell_formula_units_Z 4
loop_
_atom_type_symbol
_atom_type_radius_bond
C 0.68
H 0.23
Ag 1.57
N 0.68
O 0.68
loop_
_atom_site_label
_atom_site_type_symbol
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
Ag1 Ag 0.64622(7) 0.19503(8) 0.98994(2)
O1 O 0.4745(5) 0.2974(7) 0.91284(18)
O2 O 0.5071(6) 0.0121(8) 0.86276(18)
O3 O 0.1676(5) 0.2919(9) 0.61924(19)
O4 O 0.3078(6) 0.0356(9) 0.65550(19)
O5 O 0.0902(6) 0.8848(8) 0.7347(2)
O6 O 0.1388(6) 0.8501(9) 0.8261(3)
N1 N 0.2492(6) 0.2057(11) 0.6591(2)
N2 N 0.1453(7) 0.7915(11) 0.7781(3)
C1 C 0.4609(7) 0.1922(12) 0.8675(3)
C2 C 0.3736(7) 0.3037(11) 0.8152(2)
C3 C 0.3583(4) 0.2099(7) 0.76160(15)
H1 H 0.40560 0.07750 0.75740
C4 C 0.2749(4) 0.3101(7) 0.71493(15)
C5 C 0.2090(4) 0.5028(7) 0.71880(15)
H2 H 0.15580 0.57350 0.68560
C6 C 0.2237(7) 0.5921(11) 0.7719(3)
C7 C 0.3059(3) 0.4958(5) 0.82033(12)
H3 H 0.31480 0.56130 0.85690
C8 C 0.8908(3) 0.5254(5) 1.05225(12)
H4 H 0.93520 0.39420 1.06620
C9 C 0.9623(3) 0.7068(5) 1.07318(12)
H5 H 1.05430 0.70510 1.10070
C10 C 0.8947(3) 0.8890(5) 1.05227(12)
H6 H 0.93970 1.01970 1.06640
C11 C 0.7071(3) 0.7089(5) 0.99414(12)
N3 N 0.7648(6) 0.5218(8) 1.0137(2)
N4 N 0.7664(6) 0.8950(9) 1.0124(2)
N5 N 0.5753(5) 0.7115(8) 0.95534(19)
H7 H 0.56450 0.79990 0.92570
H8 H 0.54310 0.59490 0.92850
N4* N 0.7664(6) -0.1050(9) 1.0124(2)
Ag1* Ag 0.64622(7) 1.19503(8) 0.98994(2)
#END

data_CSD_CIF_QUBKEE
_audit_creation_date 2009-11-17
_audit_creation_method CSD-ConQuest-V1
_database_code_CSD QUBKEE
_database_code_depnum_ccdc_archive 'CCDC 746045'
_chemical_formula_sum 'C8 H13 Ag1 N4 O5'
_chemical_formula_moiety
;
(C8 H11 Ag1 N4 O4)n,n(H2 O1)
;
_journal_coeditor_code "IUCr BM3083"
_journal_coden_Cambridge 591
_journal_volume 65
_journal_year 2009
_journal_page_first m305
_journal_name_full 'Acta Crystallogr.,Sect.C:Cryst.Struct.Commun. '
loop_
_publ_author_name
"Di Sun"
"Geng-Geng Luo"
"Rong-Bin Huang"
"Na Zhang"
"Lan-Sun Zheng"
_chemical_name_systematic
;
catena-((μ₃-2-aminopyrimidine-κ³N¹:N²:N³)-(ammoniodiacetato-\kO)-s
ilver(i) monohydrate)
;
_cell_volume   1138.089
_exptl_crystal_colour 'colorless'
_exptl_crystal_density_diffrn 2.061
_exptl_crystal_description 'block'
_diffrn_ambient_temperature 298
#These two values have been output from a single CSD field.
_refine_ls_R_factor_gt 0.0254
_refine_ls_wR_factor_gt 0.0254
_symmetry_cell_setting monoclinic
_symmetry_space_group_name_H-M 'P 21/c'
_symmetry_Int_Tables_number 14
loop_
_symmetry_equiv_pos_site_id
_symmetry_equiv_pos_as_xyz
1 x,y,z
2 -x,1/2+y,1/2-z
3 -x,-y,-z
4 x,-1/2-y,-1/2+z
_cell_length_a 13.495(3)
_cell_length_b 6.5202(13)
_cell_length_c 14.103(3)
_cell_angle_alpha 90
_cell_angle_beta 113.49(3)
_cell_angle_gamma 90
_cell_formula_units_Z 4
loop_
_atom_type_symbol
_atom_type_radius_bond
C 0.68
H 0.23
Ag 1.53
N 0.68
O 0.68
loop_
_atom_site_label
_atom_site_type_symbol
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
Ag1 Ag 0.505184(17) -0.05560(3) 0.363312(16)
O1 O 0.31897(15) 0.0875(3) 0.29507(14)
O2 O 0.30387(16) -0.2039(3) 0.20966(15)
O3 O -0.11448(18) 0.5458(3) 0.11212(16)
O4 O 0.05387(17) 0.5604(3) 0.23040(16)
N1 N 0.55486(17) -0.0520(3) 0.20288(15)
H1 H 0.59500 0.06010 0.20600
H2 H 0.59550 -0.16290 0.20530
N2 N 0.42832(16) -0.2350(3) 0.06723(14)
N3 N 0.42247(16) 0.1315(3) 0.07246(14)
N4 N 0.11408(15) 0.2039(3) 0.18785(15)
H3 H 0.16380 0.29950 0.19230
H4 H 0.11300 0.19140 0.25100
C1 C 0.3308(2) 0.1276(4) -0.01377(18)
H5 H 0.29750 0.25130 -0.04150
C2 C 0.2844(2) -0.0514(4) -0.0626(2)
H6 H 0.22050 -0.05160 -0.12160
C3 C 0.3373(2) -0.2313(4) -0.01952(18)
H7 H 0.30880 -0.35490 -0.05190
C4 C 0.4667(2) -0.0517(3) 0.11073(18)
C5 C 0.2670(2) -0.0402(3) 0.22768(18)
C6 C 0.1489(2) 0.0054(4) 0.1599(2)
H8 H 0.13930 0.00930 0.08800
H9 H 0.10390 -0.10380 0.16770
C7 C 0.00698(18) 0.2783(4) 0.11535(17)
H10 H -0.04780 0.17660 0.10880
H11 H 0.00770 0.30030 0.04760
C8 C -0.0195(2) 0.4798(4) 0.15619(19)
O5 O -0.2232(2) 0.5509(3) -0.09963(17)
H12 H -0.247(3) 0.435(3) -0.126(3)
H13 H -0.186(3) 0.542(6) -0.0349(10)
Ag1A Ag 0.494816(17) -0.55560(3) 0.136688(16)
Ag1A* Ag 0.494816(17) 0.44440(3) 0.136688(16)
N2A N 0.57168(16) 0.2650(3) 0.43277(14)
N3A N 0.57753(16) -0.3685(3) 0.42754(14)
#END

data_CSD_CIF_RESDUP
_audit_creation_date 2007-02-05
_audit_creation_method CSD-ConQuest-V1
_database_code_CSD RESDUP
_database_code_depnum_ccdc_archive 'CCDC 616573'
_chemical_formula_sum 'C18 H19 Ag4 I4 N17 O12'
_chemical_formula_moiety
;
C16 H16 Ag4 I4 N12 4+,4(N1 O3 1-),C2 H3 N1
;
_journal_coden_Cambridge 1350
_journal_volume 8
_journal_year 2006
_journal_page_first 841
_journal_name_full 'CrystEngComm '
loop_
_publ_author_name
"Chih-Yuan Lin"
"Zhi-Kai Chan"
"Chun-Wei Yeh"
"Chia-Jun Wu"
"Jhy-Der Chen"
"Ju-Chun Wang"
_chemical_name_systematic
;
tetrakis((μ₂-2-amino-5-iodopyrimidine)-silver(i) nitrate) acetonitrile 
solvate
;
_cell_volume   1928.487
_exptl_crystal_colour 'colorless'
_exptl_crystal_density_diffrn 2.763
_exptl_crystal_description 'column'
_exptl_crystal_preparation 'Diethyl ether/MeCN'
_diffrn_ambient_temperature 298
_refine_special_details
;
I atoms are refined over two sites with occupancy 0.5:0.5. The solvent 
molecule is disordered by symmetry.
;
#These two values have been output from a single CSD field.
_refine_ls_R_factor_gt 0.0222
_refine_ls_wR_factor_gt 0.0222
_symmetry_cell_setting tetragonal
_symmetry_space_group_name_H-M 'P 42/n m c'
_symmetry_Int_Tables_number 137
loop_
_symmetry_equiv_pos_site_id
_symmetry_equiv_pos_as_xyz
1 x,y,z
2 1/2-y,x,1/2+z
3 y,1/2-x,1/2+z
4 1/2+y,1/2+x,1/2-z
5 1/2-x,1/2-y,z
6 -x,1/2+y,-z
7 1/2+x,-y,-z
8 -y,-x,1/2-z
9 -x,-y,-z
10 -1/2+y,-x,-1/2-z
11 -y,-1/2+x,-1/2-z
12 -1/2-y,-1/2-x,-1/2+z
13 -1/2+x,-1/2+y,-z
14 x,-1/2-y,z
15 -1/2-x,y,z
16 y,x,-1/2+z
_cell_length_a 16.9297(12)
_cell_length_b 16.9297(12)
_cell_length_c 6.7285(6)
_cell_angle_alpha 90
_cell_angle_beta 90
_cell_angle_gamma 90
_cell_formula_units_Z 2
loop_
_atom_type_symbol
_atom_type_radius_bond
C 0.68
H 0.23
Ag 1.59
I 1.40
N 0.68
O 0.68
loop_
_atom_site_label
_atom_site_type_symbol
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
Ag1 Ag 0.062730(19) 0.562730(19) 0.75000
I1 I 0.25000 0.35414(14) 0.2097(3)
I2? I 0.25000 0.37384(13) 0.1485(3)
N1 N 0.17913(17) 0.50420(18) 0.6791(5)
N2 N 0.25000 0.5669(4) 0.9257(10)
C1 C 0.25000 0.4350(3) 0.4302(8)
C2 C 0.1806(2) 0.4593(2) 0.5170(6)
C3 C 0.25000 0.5246(3) 0.7591(8)
N3 N -0.06893(19) 0.43107(19) 0.75000
O1 O -0.01316(18) 0.4276(2) 0.6309(4)
O2 O -0.1194(2) 0.3806(2) 0.75000
H1 H 0.290(3) 0.571(3) 0.984(7)
H2 H 0.129(2) 0.446(2) 0.470(5)
C4 C -0.25000 0.25000 0.75000
C5 C -0.279(2) 0.25000 0.953(2)
N4 N -0.304(3) 0.25000 1.112(3)
Ag1N Ag 0.437270(19) 0.562730(19) 0.75000
Ag1D Ag 0.437270(19) 0.937270(19) 0.75000
Ag1M Ag 0.062730(19) 0.937270(19) 0.75000
I1J I 0.64586 0.75000(14) 1.2903(3)
I1M I 0.25000 1.14586(14) 0.2097(3)
I1C I -0.14586 0.75000(14) 1.2903(3)
N1N N 0.32087(17) 0.50420(18) 0.6791(5)
N1J N 0.49580(17) 0.67913(18) 0.8209(5)
N1G N 0.49580(17) 0.82087(18) 0.8209(5)
N1D N 0.32087(17) 0.99580(18) 0.6791(5)
N1M N 0.17913(17) 0.99580(18) 0.6791(5)
N1I N 0.00420(17) 0.82087(18) 0.8209(5)
N1C N 0.00420(17) 0.67913(18) 0.8209(5)
N2C N 0.06690 0.7500(4) 0.5743(10)
N2M N 0.25000 0.9331(4) 0.9257(10)
N2J N 0.43310 0.7500(4) 0.5743(10)
C1J C 0.56500 0.7500(3) 1.0698(8)
C1M C 0.25000 1.0650(3) 0.4302(8)
C1C C -0.06500 0.7500(3) 1.0698(8)
C2N C 0.3194(2) 0.4593(2) 0.5170(6)
C2J C 0.5407(2) 0.6806(2) 0.9830(6)
C2G C 0.5407(2) 0.8194(2) 0.9830(6)
C2D C 0.3194(2) 1.0407(2) 0.5170(6)
C2M C 0.1806(2) 1.0407(2) 0.5170(6)
C2I C -0.0407(2) 0.8194(2) 0.9830(6)
C2C C -0.0407(2) 0.6806(2) 0.9830(6)
C3C C 0.02460 0.7500(3) 0.7409(8)
C3M C 0.25000 0.9754(3) 0.7591(8)
C3J C 0.47540 0.7500(3) 0.7409(8)
O1C O -0.07240(18) 0.48684(20) 0.8691(4)
H1C H 0.071(3) 0.790(3) 0.516(7)
H1I H 0.071(3) 0.710(3) 0.516(7)
H1M H 0.290(3) 0.929(3) 0.984(7)
H1D H 0.210(3) 0.929(3) 0.984(7)
H1G H 0.429(3) 0.710(3) 0.516(7)
H1J H 0.429(3) 0.790(3) 0.516(7)
H1N H 0.210(3) 0.571(3) 0.984(7)
H2C H -0.054(2) 0.629(2) 1.030(5)
H2I H -0.054(2) 0.871(2) 1.030(5)
H2M H 0.129(2) 1.054(2) 0.470(5)
H2D H 0.371(2) 1.054(2) 0.470(5)
H2G H 0.554(2) 0.871(2) 1.030(5)
H2J H 0.554(2) 0.629(2) 1.030(5)
H2N H 0.371(2) 0.446(2) 0.470(5)
C5N C -0.221(2) 0.25000 0.953(2)
C5C C -0.250(2) 0.22100 0.547(2)
C5I C -0.250(2) 0.27900 0.547(2)
N4I N -0.250(3) 0.30400 0.388(3)
N4C N -0.250(3) 0.19600 0.388(3)
N4N N -0.196(3) 0.25000 1.112(3)
#END

data_CSD_CIF_RESFAX
_audit_creation_date 2007-02-05
_audit_creation_method CSD-ConQuest-V1
_database_code_CSD RESFAX
_database_code_depnum_ccdc_archive 'CCDC 616574'
_chemical_formula_sum 'C12 H24 Ag1 F6 I1 N3 O2 P1'
_chemical_formula_moiety
;
(C4 H4 Ag1 I1 N3 1+)n,n(F6 P1 1-),2n(C4 H10 O1)
;
_journal_coden_Cambridge 1350
_journal_volume 8
_journal_year 2006
_journal_page_first 841
_journal_name_full 'CrystEngComm '
loop_
_publ_author_name
"Chih-Yuan Lin"
"Zhi-Kai Chan"
"Chun-Wei Yeh"
"Chia-Jun Wu"
"Jhy-Der Chen"
"Ju-Chun Wang"
_chemical_name_systematic
;
catena-((μ₂-2-amino-5-iodopyrimidine)-silver(i) hexafluorophosphate 
diethyl ether solvate)
;
_cell_volume   7906.693
_exptl_crystal_colour 'pale yellow'
_exptl_crystal_description 'block'
_exptl_crystal_preparation 'diethyl ether/EtOH'
_diffrn_ambient_temperature 298
_refine_special_details
;
The solvent contribution was handled by PLATON/SQUEEZE.

;
#These two values have been output from a single CSD field.
_refine_ls_R_factor_gt 0.0481
_refine_ls_wR_factor_gt 0.0481
_symmetry_cell_setting tetragonal
_symmetry_space_group_name_H-M 'I 41/a'
_symmetry_Int_Tables_number 88
loop_
_symmetry_equiv_pos_site_id
_symmetry_equiv_pos_as_xyz
1 x,y,z
2 3/4-y,1/4+x,1/4+z
3 1/2+x,1/2+y,1/2+z
4 1/4-y,3/4+x,3/4+z
5 1/4+y,1/4-x,1/4+z
6 1/2-x,-y,1/2+z
7 3/4+y,3/4-x,3/4+z
8 -x,1/2-y,z
9 -x,-y,-z
10 -3/4+y,-1/4-x,-1/4-z
11 -1/2-x,-1/2-y,-1/2-z
12 -1/4+y,-3/4-x,-3/4-z
13 -1/4-y,-1/4+x,-1/4-z
14 -1/2+x,y,-1/2-z
15 -3/4-y,-3/4+x,-3/4-z
16 x,-1/2+y,-z
_cell_length_a 18.711(3)
_cell_length_b 18.711(3)
_cell_length_c 22.584(3)
_cell_angle_alpha 90
_cell_angle_beta 90
_cell_angle_gamma 90
_cell_formula_units_Z 16
loop_
_atom_type_symbol
_atom_type_radius_bond
C 0.68
H 0.23
Ag 1.59
F 0.64
I 1.40
N 0.68
P 1.05
loop_
_atom_site_label
_atom_site_type_symbol
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
I1 I 0.55839(4) 0.65434(4) 0.01630(3)
Ag1 Ag 0.34322(5) 0.47084(5) -0.11159(4)
N1 N 0.3709(5) 0.5352(5) -0.0346(3)
N2 N 0.2662(5) 0.5030(6) 0.0147(5)
H1 H 0.23880 0.50720 0.04520
H2 H 0.25300 0.47710 -0.01470
N3 N 0.3466(5) 0.5764(5) 0.0603(4)
C1 C 0.3259(7) 0.5352(7) 0.0133(5)
C2 C 0.4335(6) 0.5702(6) -0.0332(4)
H3 H 0.46210 0.56860 -0.06680
C3 C 0.4578(5) 0.6080(5) 0.0142(4)
C4 C 0.4109(8) 0.6106(6) 0.0612(4)
H4 H 0.42350 0.63670 0.09470
P1 P 0.5178(3) 0.5137(3) -0.2077(2)
F1 F 0.6001(5) 0.4823(5) -0.2076(4)
F2 F 0.5386(6) 0.5718(7) -0.1606(5)
F3 F 0.4962(5) 0.4575(6) -0.1578(4)
F4 F 0.5384(7) 0.5716(6) -0.2537(5)
F5 F 0.4943(9) 0.4563(7) -0.2538(5)
F6 F 0.4333(7) 0.5412(6) -0.2074(5)
Ag1A Ag 0.27916(5) 0.59322(5) 0.13841(4)
N3F N 0.3264(5) 0.4034(5) -0.1897(4)
#END

data_CSD_CIF_RESFEB
_audit_creation_date 2007-02-05
_audit_creation_method CSD-ConQuest-V1
_database_code_CSD RESFEB
_database_code_depnum_ccdc_archive 'CCDC 616575'
_chemical_formula_sum 'C8 H8 Ag2 Cl2 I2 N6 O8'
_chemical_formula_moiety
;
(C8 H8 Ag2 I2 N6 2+)n,2n(Cl1 O4 1-)
;
_journal_coden_Cambridge 1350
_journal_volume 8
_journal_year 2006
_journal_page_first 841
_journal_name_full 'CrystEngComm '
loop_
_publ_author_name
"Chih-Yuan Lin"
"Zhi-Kai Chan"
"Chun-Wei Yeh"
"Chia-Jun Wu"
"Jhy-Der Chen"
"Ju-Chun Wang"
_chemical_name_systematic
;
catena-(bis(μ₂-2-amino-5-iodopyrimidine)-di-silver(i) diperchlorate)
;
_cell_volume   1977.052
_exptl_crystal_colour 'colorless'
_exptl_crystal_density_diffrn 2.878
_exptl_crystal_description 'plate'
_exptl_crystal_preparation 'diethyl ether/EtOH'
_diffrn_ambient_temperature 298
#These two values have been output from a single CSD field.
_refine_ls_R_factor_gt 0.0501
_refine_ls_wR_factor_gt 0.0501
_symmetry_cell_setting orthorhombic
_symmetry_space_group_name_H-M 'P n n a'
_symmetry_Int_Tables_number 52
loop_
_symmetry_equiv_pos_site_id
_symmetry_equiv_pos_as_xyz
1 x,y,z
2 1/2-x,-y,z
3 1/2-x,1/2+y,1/2-z
4 x,1/2-y,1/2-z
5 -x,-y,-z
6 -1/2+x,y,-z
7 -1/2+x,-1/2-y,-1/2+z
8 -x,-1/2+y,-1/2+z
_cell_length_a 19.1267(17)
_cell_length_b 11.4655(9)
_cell_length_c 9.0154(13)
_cell_angle_alpha 90
_cell_angle_beta 90
_cell_angle_gamma 90
_cell_formula_units_Z 4
loop_
_atom_type_symbol
_atom_type_radius_bond
C 0.68
H 0.23
Ag 1.59
Cl 0.99
I 1.40
N 0.68
O 0.68
loop_
_atom_site_label
_atom_site_type_symbol
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
I1 I 0.43992(4) -0.06851(7) -0.27658(10)
Ag1 Ag 0.60047(7) -0.25000 0.25000
Ag2 Ag 0.75000 0.00000 -0.26202(15)
N1 N 0.6016(4) -0.1924(8) 0.0192(9)
N2 N 0.7207(4) -0.2019(8) -0.0073(10)
H1 H 0.72450 -0.24540 0.07680
H2 H 0.75270 -0.21150 -0.08310
N3 N 0.6597(4) -0.1059(7) -0.1878(9)
C1 C 0.6599(5) -0.1674(8) -0.0608(10)
C2 C 0.5982(5) -0.0796(9) -0.2464(12)
H3 H 0.59700 -0.04020 -0.33650
C3 C 0.5358(5) -0.1084(8) -0.1789(10)
C4 C 0.5399(5) -0.1624(9) -0.0425(12)
H4 H 0.49880 -0.17870 0.00860
Cl1 Cl 0.75000 0.00000 -0.6256(4)
Cl2 Cl 0.60958(19) 0.25000 0.75000
O1 O 0.8085(5) -0.0083(12) -0.5314(11)
O2 O 0.7439(9) -0.0969(10) -0.7132(11)
O3 O 0.5638(11) 0.3113(13) 0.821(2)
O4 O 0.6450(7) 0.1701(10) 0.826(3)
I1C I 0.43992(4) -0.43149(7) 0.77658(10)
Ag2B Ag 0.75000 -0.50000 0.76202(15)
N1C N 0.6016(4) -0.3076(8) 0.4808(9)
N2C N 0.7207(4) -0.2981(8) 0.5073(10)
H1C H 0.72450 -0.25460 0.42320
H2C H 0.75270 -0.28850 0.58310
N3C N 0.6597(4) -0.3941(7) 0.6878(9)
N3A N 0.8403(4) 0.1059(7) -0.1878(9)
C1C C 0.6599(5) -0.3326(8) 0.5608(10)
C2C C 0.5982(5) -0.4204(9) 0.7464(12)
H3C H 0.59700 -0.45980 0.83650
C3C C 0.5358(5) -0.3916(8) 0.6789(10)
C4C C 0.5399(5) -0.3376(9) 0.5425(12)
H4C H 0.49880 -0.32130 0.49140
O1A O 0.6915(5) 0.0083(12) -0.5314(11)
O2A O 0.7561(9) 0.0969(10) -0.7132(11)
O3C O 0.5638(11) 0.1887(13) 0.679(2)
O4C O 0.6450(7) 0.3299(10) 0.674(3)
#END

data_CSD_CIF_RUYJIF
_audit_creation_date 2011-02-02
_audit_creation_method CSD-ConQuest-V1
_database_code_CSD RUYJIF
_database_code_depnum_ccdc_archive 'CCDC 774411'
_chemical_formula_sum 'C14 H20 Ag2 N6 O5'
_chemical_formula_moiety
;
(C14 H18 Ag2 N6 O4)n,n(H2 O1)
;
_journal_coden_Cambridge 1147
_journal_volume 10
_journal_year 2010
_journal_page_first 3699
_journal_name_full 'Cryst.Growth Des. '
loop_
_publ_author_name
"Di Sun"
"Na Zhang"
"Rong-Bin Huang"
"Lan-Sun Zheng"
_chemical_name_systematic
;
catena-(bis(μ₂-2-Amino-4-methylpyrimidine)-(μ₂-succinato)-di-silver 
monohydrate)
;
_cell_volume    937.150
_exptl_crystal_colour 'colorless'
_exptl_crystal_density_diffrn 2.013
_exptl_crystal_description 'block'
_diffrn_ambient_temperature 298
#These two values have been output from a single CSD field.
_refine_ls_R_factor_gt 0.0291
_refine_ls_wR_factor_gt 0.0291
_symmetry_cell_setting monoclinic
_symmetry_space_group_name_H-M 'P 2/c'
_symmetry_Int_Tables_number 13
loop_
_symmetry_equiv_pos_site_id
_symmetry_equiv_pos_as_xyz
1 x,y,z
2 -x,y,1/2-z
3 -x,-y,-z
4 x,-y,-1/2+z
_cell_length_a 9.4815(19)
_cell_length_b 8.6468(18)
_cell_length_c 12.217(3)
_cell_angle_alpha 90
_cell_angle_beta 110.667(3)
_cell_angle_gamma 90
_cell_formula_units_Z 2
loop_
_atom_type_symbol
_atom_type_radius_bond
C 0.68
H 0.23
Ag 1.30
N 0.78
O 0.68
loop_
_atom_site_label
_atom_site_type_symbol
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
Ag1 Ag 1.00000 0.44854(5) 0.25000
Ag2 Ag 1.00000 0.19705(5) -0.25000
C1 C 1.0184(4) 0.2652(4) 0.0042(3)
C2 C 1.2173(4) 0.2176(5) 0.1708(3)
H1 H 1.26920 0.23570 0.24990
C3 C 1.2808(5) 0.1191(5) 0.1131(4)
H2 H 1.37080 0.06790 0.15200
C4 C 1.2051(4) 0.0997(5) -0.0047(4)
C5 C 1.2622(5) -0.0076(6) -0.0750(4)
H3 H 1.18050 -0.06970 -0.12430
H4 H 1.30440 0.05130 -0.12260
H5 H 1.33840 -0.07340 -0.02340
C6 C 0.6809(4) 0.5723(4) 0.1269(3)
C7 C 0.5184(4) 0.5625(5) 0.0458(4)
H6 H 0.45590 0.54720 0.09290
H7 H 0.49050 0.66130 0.00630
N1 N 0.8867(3) 0.3316(4) -0.0482(3)
H8 H 0.84690 0.38740 -0.00850
H9 H 0.84050 0.31910 -0.12210
N2 N 1.0865(3) 0.2883(4) 0.1204(3)
N3 N 1.0768(3) 0.1763(4) -0.0612(3)
O1 O 0.50000 0.8506(4) 0.25000
H10 H 0.44170 0.79840 0.26510
O2 O 0.7140(3) 0.6705(3) 0.2055(2)
O3 O 0.7730(3) 0.4790(3) 0.1104(2)
Ag1B Ag 0.00000 0.55146(5) -0.25000
Ag2* Ag 1.00000 0.19705(5) 0.75000
C1A C 0.9816(4) 0.2652(4) 0.4958(3)
C2A C 0.7827(4) 0.2176(5) 0.3292(3)
H1A H 0.73080 0.23570 0.25010
C3A C 0.7192(5) 0.1191(5) 0.3869(4)
H2A H 0.62920 0.06790 0.34800
C4A C 0.7949(4) 0.0997(5) 0.5047(4)
C5A C 0.7378(5) -0.0076(6) 0.5750(4)
H3A H 0.81950 -0.06970 0.62430
H4A H 0.69560 0.05130 0.62260
H5A H 0.66160 -0.07340 0.52340
C6B C 0.3191(4) 0.4277(4) -0.1269(3)
C7B C 0.4816(4) 0.4375(5) -0.0458(4)
H6B H 0.54410 0.45280 -0.09290
H7B H 0.50950 0.33870 -0.00630
N1A N 1.1133(3) 0.3316(4) 0.5482(3)
H8A H 1.15310 0.38740 0.50850
H9A H 1.15950 0.31910 0.62210
N2A N 0.9135(3) 0.2883(4) 0.3796(3)
N3A N 0.9232(3) 0.1763(4) 0.5612(3)
N3A* N 0.9232(3) 0.1763(4) -0.4388(3)
H10A H 0.55830 0.79840 0.23490
O2B O 0.2860(3) 0.3295(3) -0.2055(2)
O3B O 0.2270(3) 0.5210(3) -0.1104(2)
O3A O 1.2270(3) 0.4790(3) 0.3896(2)
#END

data_CSD_CIF_RUYJOL
_audit_creation_date 2011-02-02
_audit_creation_method CSD-ConQuest-V1
_database_code_CSD RUYJOL
_database_code_depnum_ccdc_archive 'CCDC 774412'
_chemical_formula_sum 'C15 H23 Ag2 N6 O5.5'
_chemical_formula_moiety
;
(C15 H20 Ag2 N6 O4)n,1.5n(H2 O1)
;
_journal_coden_Cambridge 1147
_journal_volume 10
_journal_year 2010
_journal_page_first 3699
_journal_name_full 'Cryst.Growth Des. '
loop_
_publ_author_name
"Di Sun"
"Na Zhang"
"Rong-Bin Huang"
"Lan-Sun Zheng"
_chemical_name_systematic
;
catena-((μ₂-2-Amino-4-methylpyrimidine)-(μ₂-glutarato)-(2-amino-4-methyl
pyrimidine)-di-silver sesquihydrate)
;
_cell_volume   1021.198
_exptl_crystal_colour 'colorless'
_exptl_crystal_density_diffrn 1.922
_exptl_crystal_description 'needle'
_diffrn_ambient_temperature 298
_refine_special_details
;
A water molecule is equally disordered over two sites by symmetry and has 
been suppressed.
;
#These two values have been output from a single CSD field.
_refine_ls_R_factor_gt 0.0399
_refine_ls_wR_factor_gt 0.0399
_symmetry_cell_setting triclinic
_symmetry_space_group_name_H-M 'P -1'
_symmetry_Int_Tables_number 2
loop_
_symmetry_equiv_pos_site_id
_symmetry_equiv_pos_as_xyz
1 x,y,z
2 -x,-y,-z
_cell_length_a 9.0313(11)
_cell_length_b 10.0434(13)
_cell_length_c 12.4591(16)
_cell_angle_alpha 97.387(7)
_cell_angle_beta 109.497(3)
_cell_angle_gamma 101.338(6)
_cell_formula_units_Z 2
loop_
_atom_type_symbol
_atom_type_radius_bond
C 0.68
H 0.23
Ag 1.35
N 0.68
O 0.68
loop_
_atom_site_label
_atom_site_type_symbol
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
Ag1 Ag 0.62913(6) -0.99599(4) 0.25983(3)
Ag2 Ag 0.74592(5) -0.92269(4) -0.20166(3)
C1 C 0.7229(5) -0.9845(5) 0.0349(3)
C2 C 0.8208(5) -1.1434(4) -0.0550(4)
C3 C 0.8176(6) -1.2217(5) 0.0267(4)
H1 H 0.85240 -1.30290 0.02550
C4 C 0.7613(6) -1.1762(5) 0.1104(4)
H2 H 0.75500 -1.22990 0.16500
C5 C 0.8766(6) -1.1856(6) -0.1504(4)
H3 H 0.93610 -1.10470 -0.16560
H4 H 0.94570 -1.24670 -0.12780
H5 H 0.78430 -1.23280 -0.21940
C6 C 0.7716(6) -0.9490(5) -0.4527(4)
C7 C 0.9290(6) -0.7906(6) -0.5132(4)
C8 C 0.9747(7) -0.6988(7) -0.4081(5)
H6 H 1.04270 -0.61050 -0.39310
C9 C 0.9167(7) -0.7424(6) -0.3279(5)
H7 H 0.94880 -0.68260 -0.25610
C10 C 0.9919(8) -0.7542(8) -0.6062(5)
H8 H 1.00620 -0.83600 -0.64640
H9 H 0.91540 -0.71760 -0.66050
H10 H 1.09430 -0.68570 -0.57100
C11 C 0.4034(7) -1.3215(5) 0.2139(4)
C12 C 0.4071(7) -1.4625(5) 0.2439(5)
H11 H 0.39560 -1.52710 0.17490
H12 H 0.31390 -1.49520 0.26460
C13 C 0.5593(7) -1.4658(5) 0.3425(4)
H13 H 0.58160 -1.39120 0.40790
H14 H 0.65060 -1.44950 0.31710
C14 C 0.5454(7) -1.6016(5) 0.3824(4)
H15 H 0.63240 -1.58740 0.45730
H16 H 0.44380 -1.62380 0.39500
C15 C 0.5510(6) -1.7275(5) 0.3037(4)
N1 N 0.6818(5) -0.8649(4) 0.0409(3)
H17 H 0.65110 -0.83630 0.09610
H18 H 0.68570 -0.81600 -0.01040
N2 N 0.7152(4) -1.0582(4) 0.1168(3)
N3 N 0.7718(4) -1.0259(4) -0.0529(3)
N4 N 0.6687(6) -1.0725(5) -0.4759(4)
H19 H 0.63840 -1.12710 -0.54270
H20 H 0.63240 -1.09800 -0.42420
N5 N 0.8166(5) -0.8658(4) -0.3464(3)
N6 N 0.8253(5) -0.9136(4) -0.5368(3)
O1 O 0.2875(6) -1.3152(4) 0.1257(4)
O2? O 0.0195(13) 0.5162(11) 0.9413(10)
H21? H -0.06210 0.46140 0.94540
H22? H 0.08530 0.55620 1.00980
O3 O 0.5090(6) -1.2190(4) 0.2811(3)
O4 O 0.2700(13) 0.5056(10) 0.8774(8)
H23 H 0.18720 0.51440 0.89290
H24 H 0.29620 0.57130 0.84510
O5 O 0.5049(4) -1.8434(3) 0.3271(3)
O6 O 0.6049(6) -1.7124(4) 0.2255(3)
Ag1* Ag 0.62913(6) -1.99599(4) 0.25983(3)
O5* O 0.5049(4) -0.8434(3) 0.3271(3)
#END

data_CSD_CIF_RUYJUR
_audit_creation_date 2011-02-02
_audit_creation_method CSD-ConQuest-V1
_database_code_CSD RUYJUR
_database_code_depnum_ccdc_archive 'CCDC 774413'
_chemical_formula_sum 'C18 H22 Ag2 N6 O6'
_chemical_formula_moiety
;
(C18 H18 Ag2 N6 O4)n,2n(H2 O1)
;
_journal_coden_Cambridge 1147
_journal_volume 10
_journal_year 2010
_journal_page_first 3699
_journal_name_full 'Cryst.Growth Des. '
loop_
_publ_author_name
"Di Sun"
"Na Zhang"
"Rong-Bin Huang"
"Lan-Sun Zheng"
_chemical_name_systematic
;
catena-((μ₄-Isophthalato)-bis(μ₂-2-amino-4-methylpyrimidine)-di-silver 
dihydrate)
;
_cell_volume   2223.471
_exptl_crystal_colour 'colorless'
_exptl_crystal_density_diffrn 1.894
_exptl_crystal_description 'block'
_diffrn_ambient_temperature 298
#These two values have been output from a single CSD field.
_refine_ls_R_factor_gt 0.0732
_refine_ls_wR_factor_gt 0.0732
_symmetry_cell_setting monoclinic
_symmetry_space_group_name_H-M 'P 21/c'
_symmetry_Int_Tables_number 14
loop_
_symmetry_equiv_pos_site_id
_symmetry_equiv_pos_as_xyz
1 x,y,z
2 -x,1/2+y,1/2-z
3 -x,-y,-z
4 x,-1/2-y,-1/2+z
_cell_length_a 11.742(4)
_cell_length_b 10.703(4)
_cell_length_c 18.894(6)
_cell_angle_alpha 90
_cell_angle_beta 110.545(18)
_cell_angle_gamma 90
_cell_formula_units_Z 4
loop_
_atom_type_symbol
_atom_type_radius_bond
C 0.68
H 0.23
Ag 1.65
N 0.68
O 0.73
loop_
_atom_site_label
_atom_site_type_symbol
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
Ag1 Ag 0.75199(6) 0.79450(6) 0.99401(4)
Ag2 Ag 0.26233(7) 0.55067(7) 0.99663(4)
C1 C 0.5036(8) 0.7110(9) 1.0018(5)
C2 C 0.4122(10) 0.7783(10) 1.0847(6)
H1 H 0.35610 0.76690 1.10870
C3 C 0.4899(10) 0.8789(10) 1.1056(6)
H2 H 0.48240 0.93840 1.13960
C4 C 0.5799(9) 0.8881(9) 1.0740(6)
C5 C 0.6672(10) 0.9901(11) 1.0941(6)
H3 H 0.72220 0.98150 1.06690
H4 H 0.71220 0.98790 1.14750
H5 H 0.62490 1.06830 1.08120
C6 C 1.0108(8) 0.7278(8) 0.9942(5)
C7 C 1.1053(9) 0.8047(10) 0.9153(6)
H6 H 1.16660 0.80060 0.89490
C8 C 1.0212(10) 0.8978(10) 0.8912(6)
H7 H 1.02680 0.95780 0.85700
C9 C 0.9268(9) 0.8999(9) 0.9194(6)
C10 C 0.8268(12) 0.9964(12) 0.8966(7)
H8 H 0.77140 0.98070 0.92270
H9 H 0.78400 0.99180 0.84310
H10 H 0.86150 1.07820 0.90950
C11 C 0.7652(8) 0.6119(9) 1.1431(5)
C12 C 0.8198(9) 0.7146(9) 1.2008(5)
C13 C 0.9279(9) 0.7717(9) 1.2056(6)
H11 H 0.96980 0.74470 1.17480
C14 C 0.9747(10) 0.8697(10) 1.2563(6)
H12 H 1.04650 0.90900 1.25850
C15 C 0.9135(9) 0.9085(10) 1.3036(6)
H13 H 0.94440 0.97390 1.33720
C16 C 0.8050(9) 0.8489(9) 1.3006(5)
C17 C 0.7581(8) 0.7532(8) 1.2508(5)
H14 H 0.68680 0.71360 1.24920
C18 C 0.7440(8) 0.8887(8) 1.3558(5)
N1 N 0.9213(7) 0.8129(7) 0.9705(4)
N2 N 0.5886(7) 0.8027(7) 1.0232(4)
N3 N 1.0118(7) 0.6454(7) 1.0468(4)
H15 H 0.95500 0.64640 1.06570
H16 H 1.06910 0.59090 1.06200
N4 N 0.5045(7) 0.6314(7) 0.9483(5)
H17 H 0.55860 0.63830 0.92740
H18 H 0.45100 0.57300 0.93430
N5 N 0.4131(7) 0.6960(7) 1.0314(4)
N6 N 1.1046(7) 0.7190(8) 0.9667(5)
O1 O 0.8149(6) 0.5985(6) 1.0931(4)
O2 O 0.459(2) 0.828(2) 0.7857(13)
H19 H 0.51790 0.77970 0.80810
H20 H 0.48690 0.89030 0.76870
O3 O 0.6788(7) 0.5515(7) 1.1462(4)
O4 O 0.4471(15) 0.5132(15) 0.7625(9)
H21 H 0.40650 0.49250 0.79010
H22 H 0.50580 0.55950 0.78830
O5 O 0.6544(6) 0.8240(7) 1.3569(4)
O6 O 0.7871(7) 0.9786(7) 1.3982(4)
Ag1C Ag 0.75199(6) 0.70550(6) 1.49401(4)
Ag2* Ag 1.26233(7) 0.55067(7) 0.99663(4)
Ag2B Ag 0.73767(7) 0.44933(7) 1.00337(4)
Ag2A Ag 0.73767(7) 1.05067(7) 1.50337(4)
N6* N 0.1046(7) 0.7190(8) 0.9667(5)
O1B O 0.1851(6) 0.4015(6) 0.9069(4)
O5C O 0.6544(6) 0.6760(7) 0.8569(4)
O6A O 0.2129(7) 0.4786(7) 1.1018(4)
#END

data_CSD_CIF_RUYKAY
_audit_creation_date 2011-02-02
_audit_creation_method CSD-ConQuest-V1
_database_code_CSD RUYKAY
_database_code_depnum_ccdc_archive 'CCDC 774414'
_chemical_formula_sum 'C36 H40 Ag4 N12 O10'
_chemical_formula_moiety
;
(C36 H40 Ag4 N12 O10)n
;
_journal_coden_Cambridge 1147
_journal_volume 10
_journal_year 2010
_journal_page_first 3699
_journal_name_full 'Cryst.Growth Des. '
loop_
_publ_author_name
"Di Sun"
"Na Zhang"
"Rong-Bin Huang"
"Lan-Sun Zheng"
_chemical_name_systematic
;
catena-((μ~4~-Terephthalato)-tetrakis(μ~2~-2-amino-4-methylpyrimidine)-(μ~2
~-terephthalato)-diaqua-tetra-silver)
;
_cell_volume   1029.681
_exptl_crystal_colour 'colorless'
_exptl_crystal_density_diffrn 1.987
_exptl_crystal_description 'block'
_diffrn_ambient_temperature 298
#These two values have been output from a single CSD field.
_refine_ls_R_factor_gt 0.0389
_refine_ls_wR_factor_gt 0.0389
_symmetry_cell_setting triclinic
_symmetry_space_group_name_H-M 'P -1'
_symmetry_Int_Tables_number 2
loop_
_symmetry_equiv_pos_site_id
_symmetry_equiv_pos_as_xyz
1 x,y,z
2 -x,-y,-z
_cell_length_a 8.9879(13)
_cell_length_b 11.2940(18)
_cell_length_c 12.2234(17)
_cell_angle_alpha 111.792(14)
_cell_angle_beta 98.424(12)
_cell_angle_gamma 109.836(14)
_cell_formula_units_Z 1
loop_
_atom_type_symbol
_atom_type_radius_bond
C 0.68
H 0.23
Ag 1.60
N 0.68
O 0.68
loop_
_atom_site_label
_atom_site_type_symbol
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
Ag1 Ag 0.96331(4) 0.66156(4) 0.27598(4)
Ag2 Ag 1.33806(4) 1.21333(4) 0.80537(4)
C1 C 1.1827(5) 0.9024(5) 0.5607(4)
C2 C 1.3192(6) 0.7828(6) 0.4635(5)
H1 H 1.31860 0.70710 0.39750
C3 C 1.4650(6) 0.8729(6) 0.5557(5)
H2 H 1.56210 0.86100 0.55330
C4 C 1.4624(5) 0.9835(5) 0.6535(5)
C5 C 1.6171(6) 1.0904(6) 0.7605(5)
H3 H 1.63450 1.18350 0.77220
H4 H 1.71100 1.07380 0.74320
H5 H 1.60480 1.08220 0.83440
C6 C 0.6362(5) 0.4003(5) 0.0639(4)
C7 C 0.4604(6) 0.1991(6) 0.0596(5)
H6 H 0.36150 0.11720 0.02350
C8 C 0.5683(7) 0.2297(7) 0.1666(6)
H7 H 0.54450 0.16830 0.20210
C9 C 0.7101(6) 0.3496(6) 0.2212(5)
C10 C 0.8350(6) 0.3903(7) 0.3415(5)
H8 H 0.92530 0.48040 0.36670
H9 H 0.87720 0.32050 0.32940
H10 H 0.78160 0.39600 0.40460
C11 C 0.9931(6) 1.0419(6) 0.1178(5)
H11 H 0.98940 1.07180 0.19880
C12 C 0.9944(5) 0.9122(5) 0.0569(4)
C13 C 0.9972(6) 1.1277(6) 0.0621(5)
H12 H 0.99420 1.21380 0.10510
C14 C 0.9833(5) 0.8155(5) 0.1176(5)
C15 C 1.6057(5) 1.5579(6) 0.6174(5)
H13 H 1.67690 1.59880 0.69770
C16 C 1.4599(5) 1.4370(5) 0.5772(4)
C17 C 1.6470(6) 1.6184(6) 0.5405(5)
H14 H 1.74760 1.69720 0.56810
C18 C 1.4173(5) 1.3688(5) 0.6607(4)
N1 N 1.0414(4) 0.9129(4) 0.5678(4)
H15 H 0.94980 0.85200 0.50940
H16 H 1.04150 0.98060 0.63080
N2 N 1.1765(4) 0.7951(4) 0.4607(4)
N3 N 1.3214(4) 0.9980(4) 0.6576(4)
N4 N 0.6749(5) 0.4871(4) 0.0126(4)
H17 H 0.60850 0.46740 -0.05640
H18 H 0.76630 0.56300 0.04830
N5 N 0.7457(4) 0.4394(4) 0.1731(4)
N6 N 0.4918(4) 0.2826(4) 0.0046(4)
O1 O 0.9613(4) 0.8521(4) 0.2215(3)
O2 O 1.1225(4) 0.5013(4) 0.1957(3)
H19 H 1.22780 0.53190 0.21520
H20 H 1.08090 0.44000 0.12000
O3 O 0.9966(4) 0.7044(4) 0.0598(3)
O4 O 1.2771(4) 1.2716(4) 0.6272(3)
O5 O 1.5299(4) 1.4117(4) 0.7582(3)
Ag1A Ag 1.03669(4) 1.33844(4) -0.27598(4)
Ag1* Ag 1.96331(4) 1.66156(4) 1.27598(4)
Ag2* Ag 0.33806(4) 0.21333(4) -0.19463(4)
Ag2A Ag 0.66194(4) 0.78667(4) 0.19463(4)
Ag2** Ag 1.33806(4) 1.21333(4) -0.19463(4)
Ag2A* Ag 1.66194(4) 1.78667(4) 0.19463(4)
Ag2A** Ag 0.66194(4) 0.78667(4) -0.80537(4)
C1A C 0.8173(5) 1.0976(5) -0.5607(4)
C2A C 0.6808(6) 1.2172(6) -0.4635(5)
H1A H 0.68140 1.29290 -0.39750
C3A C 0.5350(6) 1.1271(6) -0.5557(5)
H2A H 0.43790 1.13900 -0.55330
C4A C 0.5376(5) 1.0165(5) -0.6535(5)
C5A C 0.3829(6) 0.9096(6) -0.7605(5)
H3A H 0.36550 0.81650 -0.77220
H4A H 0.28900 0.92620 -0.74320
H5A H 0.39520 0.91780 -0.83440
C6* C 1.6362(5) 1.4003(5) 1.0639(4)
C7* C 1.4604(6) 1.1991(6) 1.0596(5)
H6* H 1.36150 1.11720 1.02350
C8* C 1.5683(7) 1.2297(7) 1.1666(6)
H7* H 1.54450 1.16830 1.20210
C9* C 1.7101(6) 1.3496(6) 1.2212(5)
C10* C 1.8350(6) 1.3903(7) 1.3415(5)
H8* H 1.92530 1.48040 1.36670
H9* H 1.87720 1.32050 1.32940
H10* H 1.78160 1.39600 1.40460
C11A C 1.0069(6) 0.9581(6) -0.1178(5)
H11A H 1.01060 0.92820 -0.19880
C12A C 1.0056(5) 1.0878(5) -0.0569(4)
C13A C 1.0028(6) 0.8723(6) -0.0621(5)
H12A H 1.00580 0.78620 -0.10510
C14A C 1.0167(5) 1.1845(5) -0.1176(5)
C15A C 1.3943(5) 1.4421(6) 0.3826(5)
H13A H 1.32310 1.40120 0.30230
C16A C 1.5401(5) 1.5630(5) 0.4228(4)
C17A C 1.3530(6) 1.3816(6) 0.4595(5)
H14A H 1.25240 1.30280 0.43190
C18A C 1.5827(5) 1.6312(5) 0.3393(4)
N1A N 0.9586(4) 1.0871(4) -0.5678(4)
H15A H 1.05020 1.14800 -0.50940
H16A H 0.95850 1.01940 -0.63080
N2A N 0.8235(4) 1.2049(4) -0.4607(4)
N3A N 0.6786(4) 1.0020(4) -0.6576(4)
N3* N 0.3214(4) -0.0020(4) -0.3424(4)
N4* N 1.6749(5) 1.4871(4) 1.0126(4)
H17* H 1.60850 1.46740 0.94360
H18* H 1.76630 1.56300 1.04830
N5* N 1.7457(4) 1.4394(4) 1.1731(4)
N5A N 1.2543(4) 1.5606(4) -0.1731(4)
N6* N 1.4918(4) 1.2826(4) 1.0046(4)
O1A O 1.0387(4) 1.1479(4) -0.2215(3)
O1A* O 1.0387(4) 1.1479(4) 0.7785(3)
O1A** O 0.0387(4) 0.1479(4) -0.2215(3)
O2A O 0.8775(4) 1.4987(4) -0.1957(3)
H19A H 0.77220 1.46810 -0.21520
H20A H 0.91910 1.56000 -0.12000
O3A O 1.0034(4) 1.2956(4) -0.0598(3)
O4A O 1.7229(4) 1.7284(4) 0.3728(3)
O4* O 0.2771(4) 0.2716(4) -0.3728(3)
O5A O 1.4701(4) 1.5883(4) 0.2418(3)
O5* O 0.5299(4) 0.4117(4) -0.2418(3)
#END

data_CSD_CIF_RUYKEC
_audit_creation_date 2011-02-02
_audit_creation_method CSD-ConQuest-V1
_database_code_CSD RUYKEC
_database_code_depnum_ccdc_archive 'CCDC 774415'
_chemical_formula_sum 'C26 H40 Ag2 N12 O6'
_chemical_formula_moiety
;
C26 H36 Ag2 N12 O4,2(H2 O1)
;
_journal_coden_Cambridge 1147
_journal_volume 10
_journal_year 2010
_journal_page_first 3699
_journal_name_full 'Cryst.Growth Des. '
loop_
_publ_author_name
"Di Sun"
"Na Zhang"
"Rong-Bin Huang"
"Lan-Sun Zheng"
_chemical_name_systematic
;
(μ₂-Ethanedioato)-tetrakis(4,6-dimethylpyrimidin-2-amine)-di-silver 
dihydrate
;
_cell_volume    800.067
_exptl_crystal_colour 'colorless'
_exptl_crystal_density_diffrn 1.728
_exptl_crystal_description 'block'
_diffrn_ambient_temperature 298
#These two values have been output from a single CSD field.
_refine_ls_R_factor_gt 0.0457
_refine_ls_wR_factor_gt 0.0457
_symmetry_cell_setting triclinic
_symmetry_space_group_name_H-M 'P -1'
_symmetry_Int_Tables_number 2
loop_
_symmetry_equiv_pos_site_id
_symmetry_equiv_pos_as_xyz
1 x,y,z
2 -x,-y,-z
_cell_length_a 7.122(2)
_cell_length_b 10.418(4)
_cell_length_c 11.812(4)
_cell_angle_alpha 66.138(6)
_cell_angle_beta 86.572(8)
_cell_angle_gamma 88.632(7)
_cell_formula_units_Z 1
loop_
_atom_type_symbol
_atom_type_radius_bond
C 0.68
H 0.23
Ag 1.58
N 0.68
O 0.68
loop_
_atom_site_label
_atom_site_type_symbol
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
Ag1 Ag 0.22337(7) 0.22664(5) 0.77380(4)
C1 C 0.1766(9) 0.0239(6) 0.6368(6)
C2 C 0.4519(8) -0.0210(6) 0.7418(6)
C3 C 0.4987(9) -0.1213(7) 0.6960(6)
H1 H 0.60980 -0.17220 0.71660
C4 C 0.3765(9) -0.1446(6) 0.6188(6)
C5 C 0.4185(10) -0.2523(7) 0.5664(6)
H2 H 0.33970 -0.23610 0.49880
H3 H 0.39460 -0.34440 0.62970
H4 H 0.54820 -0.24510 0.53710
C6 C 0.5787(9) 0.0116(7) 0.8228(6)
H5 H 0.51780 -0.01410 0.90370
H6 H 0.60620 0.11020 0.78740
H7 H 0.69360 -0.04050 0.82950
C7 C 0.2952(8) 0.3671(6) 0.9632(6)
C8 C 0.0030(8) 0.2565(6) 0.9985(5)
C9 C -0.0338(9) 0.2890(7) 1.1002(6)
H8 H -0.14790 0.26520 1.14620
C10 C 0.1051(9) 0.3584(6) 1.1317(6)
C11 C -0.1411(10) 0.1824(8) 0.9580(7)
H9 H -0.16330 0.23580 0.87210
H10 H -0.25650 0.17330 1.00700
H11 H -0.09540 0.09090 0.96900
C12 C 0.0781(10) 0.3927(7) 1.2440(6)
H12 H 0.18760 0.44030 1.25120
H13 H 0.05930 0.30750 1.31700
H14 H -0.03000 0.45220 1.23540
C13 C 0.0462(8) 0.4405(6) 0.5556(6)
N1 N 0.0153(8) 0.0928(6) 0.6093(5)
H15 H -0.05990 0.07520 0.56300
H16 H -0.01420 0.15510 0.63780
N2 N 0.2908(7) 0.0514(5) 0.7140(5)
N3 N 0.2160(7) -0.0730(5) 0.5896(5)
N4 N 0.4522(8) 0.4092(6) 0.8955(6)
H17 H 0.53320 0.45550 0.91510
H18 H 0.47420 0.39050 0.83140
N5 N 0.1675(7) 0.2912(5) 0.9318(4)
N6 N 0.2663(7) 0.3991(5) 1.0640(5)
O1 O 0.2205(7) 0.4406(6) 0.5586(5)
O2 O 0.4425(6) 0.6281(5) 0.3242(4)
H19 H 0.52130 0.59750 0.38050
H20 H 0.33870 0.63670 0.35990
O3 O -0.0620(7) 0.3516(4) 0.6356(4)
Ag1A Ag -0.22337(7) 0.77336(5) 0.22620(4)
C1A C -0.1766(9) 0.9761(6) 0.3632(6)
C2A C -0.4519(8) 1.0210(6) 0.2582(6)
C3A C -0.4987(9) 1.1213(7) 0.3040(6)
H1A H -0.60980 1.17220 0.28340
C4A C -0.3765(9) 1.1446(6) 0.3812(6)
C5A C -0.4185(10) 1.2523(7) 0.4336(6)
H2A H -0.33970 1.23610 0.50120
H3A H -0.39460 1.34440 0.37030
H4A H -0.54820 1.24510 0.46290
C6A C -0.5787(9) 0.9884(7) 0.1772(6)
H5A H -0.51780 1.01410 0.09630
H6A H -0.60620 0.88980 0.21260
H7A H -0.69360 1.04050 0.17050
C7A C -0.2952(8) 0.6329(6) 0.0368(6)
C8A C -0.0030(8) 0.7435(6) 0.0015(5)
C9A C 0.0338(9) 0.7110(7) -0.1002(6)
H8A H 0.14790 0.73480 -0.14620
C10A C -0.1051(9) 0.6416(6) -0.1317(6)
C11A C 0.1411(10) 0.8176(8) 0.0420(7)
H9A H 0.16330 0.76420 0.12790
H10A H 0.25650 0.82670 -0.00700
H11A H 0.09540 0.90910 0.03100
C12A C -0.0781(10) 0.6073(7) -0.2440(6)
H12A H -0.18760 0.55970 -0.25120
H13A H -0.05930 0.69250 -0.31700
H14A H 0.03000 0.54780 -0.23540
C13A C -0.0462(8) 0.5595(6) 0.4444(6)
N1A N -0.0153(8) 0.9072(6) 0.3907(5)
H15A H 0.05990 0.92480 0.43700
H16A H 0.01420 0.84490 0.36220
N2A N -0.2908(7) 0.9486(5) 0.2860(5)
N3A N -0.2160(7) 1.0730(5) 0.4104(5)
N4A N -0.4522(8) 0.5908(6) 0.1045(6)
H17A H -0.53320 0.54450 0.08490
H18A H -0.47420 0.60950 0.16860
N5A N -0.1675(7) 0.7088(5) 0.0682(4)
N6A N -0.2663(7) 0.6009(5) -0.0640(5)
O1A O -0.2205(7) 0.5594(6) 0.4414(5)
O3A O 0.0620(7) 0.6484(4) 0.3644(4)
#END

data_CSD_CIF_RUYKIG
_audit_creation_date 2011-02-02
_audit_creation_method CSD-ConQuest-V1
_database_code_CSD RUYKIG
_database_code_depnum_ccdc_archive 'CCDC 774416'
_chemical_formula_sum 'C26 H28 Ag2 N6 O5'
_chemical_formula_moiety
;
(C26 H26 Ag2 N6 O4)n,n(H2 O1)
;
_journal_coden_Cambridge 1147
_journal_volume 10
_journal_year 2010
_journal_page_first 3699
_journal_name_full 'Cryst.Growth Des. '
loop_
_publ_author_name
"Di Sun"
"Na Zhang"
"Rong-Bin Huang"
"Lan-Sun Zheng"
_chemical_name_systematic
;
catena-(bis(μ₂-2-Amino-4,6-dimethylpyrimidine)-(μ₂-4,4-bibenzenedicarbox
ylato)-di-silver monohydrate)
;
_cell_volume   2724.530
_exptl_crystal_colour 'colorless'
_exptl_crystal_density_diffrn 1.756
_exptl_crystal_description 'plate'
_diffrn_ambient_temperature 298
_refine_special_details
;
A lattice water is equally disordered over two sites by symmetry.

;
#These two values have been output from a single CSD field.
_refine_ls_R_factor_gt 0.0288
_refine_ls_wR_factor_gt 0.0288
_symmetry_cell_setting monoclinic
_symmetry_space_group_name_H-M 'C 2/c'
_symmetry_Int_Tables_number 15
loop_
_symmetry_equiv_pos_site_id
_symmetry_equiv_pos_as_xyz
1 x,y,z
2 -x,y,1/2-z
3 1/2+x,1/2+y,z
4 1/2-x,1/2+y,1/2-z
5 -x,-y,-z
6 x,-y,-1/2+z
7 -1/2-x,-1/2-y,-z
8 -1/2+x,-1/2-y,-1/2+z
_cell_length_a 15.676(3)
_cell_length_b 15.049(3)
_cell_length_c 12.097(2)
_cell_angle_alpha 90
_cell_angle_beta 107.31(3)
_cell_angle_gamma 90
_cell_formula_units_Z 4
loop_
_atom_type_symbol
_atom_type_radius_bond
C 0.68
H 0.23
Ag 1.45
N 0.68
O 0.53
loop_
_atom_site_label
_atom_site_type_symbol
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
Ag1 Ag 0.00000 1.03246(3) 0.25000
C1 C 0.00588(19) 1.1437(2) 0.4960(3)
C2 C 0.0926(2) 1.2625(2) 0.5841(3)
C3 C 0.1306(2) 1.2643(2) 0.4957(3)
H1 H 0.17250 1.30760 0.49390
C4 C 0.10589(19) 1.2012(2) 0.4095(3)
C5 C 0.1165(3) 1.3281(3) 0.6818(4)
H2 H 0.06290 1.35320 0.69150
H3 H 0.15260 1.37450 0.66450
H4 H 0.14940 1.29850 0.75180
C6 C 0.1454(2) 1.1995(3) 0.3116(3)
H5 H 0.16880 1.14130 0.30570
H6 H 0.19270 1.24240 0.32540
H7 H 0.10010 1.21370 0.24080
C7 C 0.45355(19) 0.9416(2) 0.2548(3)
C8 C 0.3815(2) 0.9677(2) 0.1623(3)
H8 H 0.39140 0.98570 0.09360
C9 C 0.2951(2) 0.9674(2) 0.1704(3)
H9 H 0.24820 0.98750 0.10850
C10 C 0.27824(19) 0.9371(2) 0.2702(3)
C11 C 0.3498(2) 0.9102(2) 0.3628(3)
H10 H 0.33970 0.88980 0.43040
C12 C 0.4362(2) 0.9136(2) 0.3548(3)
H11 H 0.48360 0.89670 0.41810
C13 C 0.1845(2) 0.9345(2) 0.2814(3)
O1 O 0.12596(14) 0.97921(18) 0.2098(2)
O2 O 0.7662(9) 1.2831(7) -0.4436(8)
H12? H 0.73620 1.29730 -0.51220
H13? H 0.77630 1.22760 -0.44110
O3 O 0.17053(15) 0.8879(2) 0.3586(2)
N1 N -0.06114(17) 1.0887(2) 0.4923(3)
H14 H -0.07940 1.05200 0.43580
H15 H -0.08630 1.08990 0.54660
N2 N 0.04380(16) 1.14017(19) 0.4092(2)
N3 N 0.03100(16) 1.20130(19) 0.5871(2)
Ag2 Ag 0.00000 1.17602(3) 0.75000
Ag1D Ag 0.00000 0.96754(3) 0.75000
Ag1* Ag 1.00000 1.03246(3) 0.25000
C1A C -0.00588(19) 1.1437(2) 0.0040(3)
C2A C -0.0926(2) 1.2625(2) -0.0841(3)
C3A C -0.1306(2) 1.2643(2) 0.0043(3)
H1A H -0.17250 1.30760 0.00610
C4A C -0.10589(19) 1.2012(2) 0.0905(3)
C5A C -0.1165(3) 1.3281(3) -0.1818(4)
H2A H -0.06290 1.35320 -0.19150
H3A H -0.15260 1.37450 -0.16450
H4A H -0.14940 1.29850 -0.25180
C6A C -0.1454(2) 1.1995(3) 0.1884(3)
H5A H -0.16880 1.14130 0.19430
H6A H -0.19270 1.24240 0.17460
H7A H -0.10010 1.21370 0.25920
C7A C 0.54645(19) 0.9416(2) 0.2452(3)
C8A C 0.6185(2) 0.9677(2) 0.3377(3)
H8A H 0.60860 0.98570 0.40640
C9A C 0.7049(2) 0.9674(2) 0.3296(3)
H9A H 0.75180 0.98750 0.39150
C10A C 0.72176(19) 0.9371(2) 0.2298(3)
C11A C 0.6502(2) 0.9102(2) 0.1372(3)
H10A H 0.66030 0.88980 0.06960
C12A C 0.5638(2) 0.9136(2) 0.1452(3)
H11A H 0.51640 0.89670 0.08190
C13A C 0.8155(2) 0.9345(2) 0.2186(3)
O1A O 0.87404(14) 0.97921(18) 0.2902(2)
O1A* O -0.12596(14) 0.97921(18) 0.2902(2)
O3A O 0.82947(15) 0.8879(2) 0.1414(2)
N1A N 0.06114(17) 1.0887(2) 0.0077(3)
H14A H 0.07940 1.05200 0.06420
H15A H 0.08630 1.08990 -0.04660
N2A N -0.04380(16) 1.14017(19) 0.0908(2)
N3A N -0.03100(16) 1.20130(19) -0.0871(2)
N3A* N -0.03100(16) 1.20130(19) 0.9129(2)
Ag2D Ag 0.00000 0.82398(3) 0.25000
Ag2* Ag 0.00000 1.17602(3) -0.25000
#END

data_CSD_CIF_UFAWAZ
_audit_creation_date 2002-04-16
_audit_creation_method CSD-ConQuest-V1
_database_code_CSD UFAWAZ
_database_code_depnum_ccdc_archive 'CCDC 182980'
_chemical_formula_sum 'C40 H35 Ag2 Cl2 N3 P2'
_chemical_formula_moiety
;
(C40 H35 Ag2 Cl2 N3 P2)n
;
_journal_coeditor_code "IUCr BJ1037"
_journal_coden_Cambridge 591
_journal_volume 58
_journal_year 2002
_journal_page_first m174
_journal_name_full 'Acta Crystallogr.,Sect.C:Cryst.Struct.Commun. '
loop_
_publ_author_name
"Qiong-Hua Jin"
"Xiu-Lan Xin"
"Xiao-YanCi"
"Kai-Bei Yu"
_chemical_name_systematic
;
catena-[bis(μ₂-Chloro)-(μ₂-2-aminopyrimidine-κ²-N¹:N³)-bis((triph
enylphosphine)-silver(i))]
;
_cell_volume   3793.823
_exptl_crystal_colour 'white'
_exptl_crystal_density_diffrn 1.587
_exptl_crystal_description 'prism'
_diffrn_ambient_temperature 295
#These two values have been output from a single CSD field.
_refine_ls_R_factor_gt 0.025
_refine_ls_wR_factor_gt 0.025
_symmetry_cell_setting monoclinic
_symmetry_space_group_name_H-M 'C 2/c'
_symmetry_Int_Tables_number 15
loop_
_symmetry_equiv_pos_site_id
_symmetry_equiv_pos_as_xyz
1 x,y,z
2 1/2+x,1/2+y,z
3 x,-y,1/2+z
4 1/2+x,1/2-y,1/2+z
5 -x,-y,-z
6 -1/2-x,-1/2-y,-z
7 -x,y,-1/2-z
8 -1/2-x,-1/2+y,-1/2-z
_cell_length_a 17.055(2)
_cell_length_b 16.642(4)
_cell_length_c 15.302(2)
_cell_angle_alpha 90
_cell_angle_beta 119.13(1)
_cell_angle_gamma 90
_cell_formula_units_Z 4
loop_
_atom_type_symbol
_atom_type_radius_bond
C 0.68
H 0.23
Ag 1.40
Cl 0.99
N 0.68
P 1.05
loop_
_atom_site_label
_atom_site_type_symbol
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
Ag1 Ag 0.408369(13) 0.478158(14) 0.398313(15)
Cl1 Cl 0.48746(5) 0.38441(4) 0.54771(5)
P1 P 0.25461(4) 0.52073(4) 0.31224(5)
N1 N 0.48195(14) 0.41581(13) 0.31609(16)
N2 N 0.50000 0.5333(2) 0.25000
C1 C 0.50000 0.4534(2) 0.25000
C2 C 0.50000 0.2927(3) 0.25000
C3 C 0.4852(2) 0.33603(18) 0.3164(2)
C4 C 0.22927(15) 0.58938(15) 0.20913(18)
C5 C 0.26633(19) 0.57086(19) 0.1484(2)
C6 C 0.2476(2) 0.6169(2) 0.0656(2)
C7 C 0.1912(2) 0.68168(19) 0.0415(2)
C8 C 0.1547(2) 0.70060(19) 0.1008(2)
C9 C 0.17401(19) 0.65535(18) 0.1844(2)
C10 C 0.17024(16) 0.44192(15) 0.25202(18)
C11 C 0.19122(19) 0.36443(17) 0.2882(2)
C12 C 0.1290(2) 0.30336(18) 0.2451(2)
C13 C 0.0457(2) 0.31956(19) 0.1656(2)
C14 C 0.02441(19) 0.39624(19) 0.1289(2)
C15 C 0.08687(18) 0.45719(17) 0.1714(2)
C16 C 0.22025(16) 0.57232(16) 0.39315(18)
C17 C 0.2851(2) 0.6129(2) 0.4746(2)
C18 C 0.2641(3) 0.6517(3) 0.5405(3)
C19 C 0.1788(2) 0.6503(2) 0.5258(3)
C20 C 0.1138(2) 0.6107(2) 0.4457(3)
C21 C 0.13348(19) 0.5707(2) 0.3794(2)
H1 H 0.496(2) 0.5620(15) 0.2935(17)
H2 H 0.50000 0.2369(7) 0.25000
H3 H 0.4768(16) 0.3119(13) 0.3661(14)
H4 H 0.3045(16) 0.5264(11) 0.169(2)
H5 H 0.272(2) 0.6049(19) 0.025(2)
H6 H 0.1724(18) 0.7110(15) -0.0170(13)
H7 H 0.1176(17) 0.7445(13) 0.086(2)
H8 H 0.1479(16) 0.6681(16) 0.2231(17)
H9 H 0.2482(9) 0.3545(16) 0.3421(13)
H10 H 0.1430(19) 0.2513(9) 0.269(2)
H11 H 0.0063(15) 0.2766(12) 0.140(2)
H12 H -0.0317(10) 0.4088(17) 0.0758(14)
H13 H 0.0696(17) 0.5085(9) 0.1425(19)
H14 H 0.3431(10) 0.6157(19) 0.485(2)
H15 H 0.3077(16) 0.6807(18) 0.5939(17)
H16 H 0.1644(18) 0.6741(15) 0.5706(17)
H17 H 0.0548(10) 0.616(2) 0.434(2)
H18 H 0.0887(15) 0.5448(17) 0.3231(15)
N1F N 0.51805(14) 0.41581(13) 0.18391(16)
C3F C 0.5148(2) 0.33603(18) 0.1836(2)
H3F H 0.5232(16) 0.3119(13) 0.1339(14)
H1F H 0.504(2) 0.5620(15) 0.2065(17)
Cl1D Cl 0.51254(5) 0.61559(4) 0.45229(5)
Ag1D Ag 0.591631(13) 0.521842(14) 0.601687(15)
P1D P 0.74539(4) 0.47927(4) 0.68776(5)
C4D C 0.77073(15) 0.41062(15) 0.79087(18)
C5D C 0.73367(19) 0.42914(19) 0.8516(2)
C6D C 0.7524(2) 0.3831(2) 0.9344(2)
C7D C 0.8088(2) 0.31832(19) 0.9585(2)
C8D C 0.8453(2) 0.29940(19) 0.8992(2)
C9D C 0.82599(19) 0.34465(18) 0.8156(2)
C10D C 0.82976(16) 0.55808(15) 0.74798(18)
C11D C 0.80878(19) 0.63557(17) 0.7118(2)
C12D C 0.8710(2) 0.69664(18) 0.7549(2)
C13D C 0.9543(2) 0.68044(19) 0.8344(2)
C14D C 0.97559(19) 0.60376(19) 0.8711(2)
C15D C 0.91313(18) 0.54281(17) 0.8286(2)
C16D C 0.77975(16) 0.42768(16) 0.60685(18)
C17D C 0.7149(2) 0.3871(2) 0.5254(2)
C18D C 0.7359(3) 0.3483(3) 0.4595(3)
C19D C 0.8212(2) 0.3497(2) 0.4742(3)
C20D C 0.8862(2) 0.3893(2) 0.5543(3)
C21D C 0.86652(19) 0.4293(2) 0.6206(2)
H4D H 0.6955(16) 0.4736(11) 0.831(2)
H5D H 0.728(2) 0.3951(19) 0.975(2)
H6D H 0.8276(18) 0.2890(15) 1.0170(13)
H7D H 0.8824(17) 0.2555(13) 0.914(2)
H8D H 0.8521(16) 0.3319(16) 0.7769(17)
H9D H 0.7518(9) 0.6455(16) 0.6579(13)
H10D H 0.8570(19) 0.7487(9) 0.731(2)
H11D H 0.9937(15) 0.7234(12) 0.860(2)
H12D H 1.0317(10) 0.5912(17) 0.9242(14)
H13D H 0.9304(17) 0.4915(9) 0.8575(19)
H14D H 0.6569(10) 0.3843(19) 0.515(2)
H15D H 0.6923(16) 0.3193(18) 0.4061(17)
H16D H 0.8356(18) 0.3259(15) 0.4294(17)
H17D H 0.9452(10) 0.384(2) 0.566(2)
H18D H 0.9113(15) 0.4552(17) 0.6769(15)
Ag1F Ag 0.591631(13) 0.478158(14) 0.101687(15)
N1D N 0.51805(14) 0.58419(13) 0.68391(16)
#END

data_CSD_CIF_UMOCII
_audit_creation_date 2004-03-09
_audit_creation_method CSD-ConQuest-V1
_database_code_CSD UMOCII
_database_code_depnum_ccdc_archive 'CCDC 226665'
_chemical_formula_sum 'C9 H11 Ag1 F3 N6 O3.5 S1'
_chemical_formula_moiety
;
C8 H10 Ag1 N6 1+,C1 F3 O3 S1 1-,0.5(H2 O1)
;
_journal_coeditor_code "IUCr WW6119"
_journal_coden_Cambridge 1370
_journal_volume 59
_journal_year 2003
_journal_page_first m1046
_journal_name_full 'Acta Crystallogr.,Sect.E:Struct.Rep.Online '
loop_
_publ_author_name
"Hai-Liang Zhu"
"Song Yang"
"Ji-Long Ma"
"Xiao-Yang Qiu"
"Lin Sun"
"Si-Chang Shao"
_chemical_name_systematic
;
bis(2-Aminopyrimidine)-silver(i) trifluoromethanesulfonate hemihydrate
;
_cell_volume   1511.072
_exptl_crystal_colour 'colorless'
_exptl_crystal_density_diffrn 2.005
_exptl_crystal_description 'prism'
_exptl_crystal_preparation 'acetonitrile'
_diffrn_ambient_temperature 293
#These two values have been output from a single CSD field.
_refine_ls_R_factor_gt 0.0571
_refine_ls_wR_factor_gt 0.0571
_symmetry_cell_setting triclinic
_symmetry_space_group_name_H-M 'P -1'
_symmetry_Int_Tables_number 2
loop_
_symmetry_equiv_pos_site_id
_symmetry_equiv_pos_as_xyz
1 x,y,z
2 -x,-y,-z
_cell_length_a 10.194(2)
_cell_length_b 13.112(3)
_cell_length_c 13.173(3)
_cell_angle_alpha 113.67(3)
_cell_angle_beta 105.12(3)
_cell_angle_gamma 96.20(3)
_cell_formula_units_Z 4
loop_
_atom_type_symbol
_atom_type_radius_bond
C 0.68
H 0.23
Ag 1.52
F 0.64
N 0.68
O 0.68
S 1.02
loop_
_atom_site_label
_atom_site_type_symbol
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
Ag1 Ag 0.58419(5) 0.30062(4) 0.44174(5)
Ag2 Ag 0.89936(5) 0.86983(4) 0.88621(5)
S1 S 0.68113(16) 0.52030(13) 0.75549(16)
S2 S 1.90310(15) 0.88411(13) 1.22778(15)
F1 F 0.5074(5) 0.3515(4) 0.7417(4)
F2 F 0.4665(4) 0.5148(4) 0.8267(4)
F3 F 0.6337(4) 0.4683(3) 0.9169(4)
F4 F 1.6677(4) 0.7317(4) 1.0922(4)
F5 F 1.7711(5) 0.7157(3) 1.2475(4)
F6 F 1.8495(4) 0.6618(3) 1.1039(4)
O1 O 0.7835(5) 0.4532(4) 0.7497(5)
O2 O 0.7344(4) 0.6380(3) 0.8421(4)
O3 O 0.5884(5) 0.5025(4) 0.6424(4)
O4 O 2.0316(5) 0.8749(4) 1.2961(5)
O5 O 1.8306(5) 0.9565(4) 1.2951(4)
O6 O 1.9110(5) 0.9008(4) 1.1279(4)
N1 N 0.7545(5) 0.3715(4) 0.4045(4)
N2 N 0.8902(5) 0.2487(4) 0.4332(5)
H1 H 0.96630 0.22040 0.42990
H2 H 0.82710 0.22090 0.45820
N3 N 0.9690(5) 0.3703(4) 0.3648(5)
N4 N 0.4083(5) 0.2149(4) 0.4598(4)
N5 N 0.2510(6) 0.3071(4) 0.3863(5)
H3 H 0.32010 0.34360 0.37330
H4 H 0.16480 0.31960 0.36830
N6 N 0.1675(5) 0.1821(4) 0.4494(5)
N7 N 0.7229(5) 0.9380(4) 0.8415(4)
N8 N 0.5750(5) 0.8209(4) 0.8810(5)
H5 H 0.64470 0.78740 0.89780
H6 H 0.49130 0.79820 0.88590
N9 N 0.4875(5) 0.9505(4) 0.8252(5)
N10 N 1.0750(4) 0.7996(4) 0.9240(4)
N11 N 1.2174(5) 0.9027(4) 0.8681(5)
H7 H 1.15140 0.94120 0.85740
H8 H 1.29770 0.91830 0.85470
N12 N 1.2983(5) 0.7665(4) 0.9175(5)
C1 C 0.8706(6) 0.3314(5) 0.4010(5)
C2 C 0.9535(6) 0.4552(6) 0.3366(5)
H9 H 1.02430 0.48510 0.31320
C3 C 0.8396(6) 0.5040(5) 0.3413(6)
H10 H 0.82900 0.56530 0.31990
C4 C 0.7418(7) 0.4593(5) 0.3772(5)
H11 H 0.66290 0.49220 0.38350
C5 C 0.2777(6) 0.2331(5) 0.4331(5)
C6 C 0.1922(7) 0.1104(5) 0.4952(5)
H12 H 0.11640 0.07460 0.50950
C7 C 0.3205(7) 0.0833(5) 0.5240(6)
H13 H 0.33370 0.02830 0.55420
C8 C 0.4268(6) 0.1395(5) 0.5059(5)
H14 H 0.51800 0.12520 0.52700
C9 C 0.5957(6) 0.9043(5) 0.8486(5)
C10 C 0.5047(6) 1.0310(5) 0.7902(6)
H15 H 0.42800 1.06500 0.77350
C11 C 0.6288(6) 1.0679(5) 0.7764(5)
H16 H 0.63910 1.12470 0.74860
C12 C 0.7360(6) 1.0188(5) 0.8043(6)
H17 H 0.82400 1.04350 0.79740
C13 C 1.1972(6) 0.8228(5) 0.9040(5)
C14 C 1.0610(6) 0.7196(5) 0.9630(5)
H18 H 0.97670 0.70270 0.97890
C15 C 1.1596(7) 0.6620(6) 0.9801(6)
H19 H 1.14740 0.60560 1.00810
C16 C 1.2810(6) 0.6886(5) 0.9559(6)
H20 H 1.35360 0.64940 0.96710
C17 C 0.5662(7) 0.4597(6) 0.8129(6)
C18 C 1.7926(7) 0.7417(6) 1.1645(6)
O7 O 0.7656(6) 0.2195(6) 0.6053(5)
H21 H 0.794(9) 0.184(7) 0.630(8)
H22 H 0.772(11) 0.291(9) 0.656(9)
#END

data_CSD_CIF_UNEKAA
_audit_creation_date 2011-06-16
_audit_creation_method CSD-ConQuest-V1
_database_code_CSD UNEKAA
_database_code_depnum_ccdc_archive 'CCDC 749826'
_chemical_formula_sum 'C12 H4 Ag1 F8 N3 O2'
_chemical_formula_moiety
;
(C12 H4 Ag1 F8 N3 O2)n
;
_journal_coden_Cambridge 1096
_journal_volume 22
_journal_year 2010
_journal_page_first 4749
_journal_name_full 'Chem.Mater. '
loop_
_publ_author_name
"I.Stoll"
"R.Brockhinke"
"A.Brockhinke"
"M.Bottcher"
"T.Koop"
"H.-G.Stammler"
"B.Neumann"
"A.Niemeyer"
"A.Hutten"
"J.Mattay"
_chemical_name_systematic
;
catena-((μ₂-5-(pentafluorophenyl)pyrimidin-2-amine)-(trifluoroacetato)-silv
er(i))
;
_cell_volume    686.862
_exptl_crystal_colour 'colorless'
_exptl_crystal_density_diffrn 2.331
_exptl_crystal_description 'needle'
_diffrn_ambient_temperature 100
#These two values have been output from a single CSD field.
_refine_ls_R_factor_gt 0.0234
_refine_ls_wR_factor_gt 0.0234
_symmetry_cell_setting triclinic
_symmetry_space_group_name_H-M 'P -1'
_symmetry_Int_Tables_number 2
loop_
_symmetry_equiv_pos_site_id
_symmetry_equiv_pos_as_xyz
1 x,y,z
2 -x,-y,-z
_cell_length_a 6.3795(1)
_cell_length_b 7.8808(2)
_cell_length_c 13.8567(4)
_cell_angle_alpha 84.7128(14)
_cell_angle_beta 85.0068(15)
_cell_angle_gamma 83.2722(15)
_cell_formula_units_Z 2
loop_
_atom_type_symbol
_atom_type_radius_bond
C 0.68
H 0.23
Ag 1.45
F 0.64
N 0.68
O 0.68
loop_
_atom_site_label
_atom_site_type_symbol
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
Ag1 Ag -0.957244(19) 0.198124(18) 0.036328(9)
F1 F -0.15712(17) 0.00420(14) 0.37271(8)
F2 F -0.17172(19) -0.16361(16) 0.55010(8)
F3 F -0.4955(2) -0.35350(16) 0.61108(8)
F4 F -0.79923(19) -0.38243(15) 0.48823(9)
F5 F -0.78354(18) -0.21972(15) 0.30990(8)
F6 F -0.9086(2) 0.68556(14) -0.25505(9)
F7 F -0.8789(2) 0.43714(15) -0.31170(8)
F8 F -1.1853(2) 0.55496(15) -0.25736(9)
O1 O -1.0344(2) 0.30726(17) -0.12084(10)
O2 O -0.8183(2) 0.50002(18) -0.09181(11)
N1 N -0.6519(2) 0.15373(19) 0.10819(11)
N2 N -0.4594(2) 0.2611(2) -0.02835(11)
H1 H -0.341(4) 0.283(3) -0.0608(19)
H2 H -0.572(4) 0.325(3) -0.0435(19)
N3 N -0.2743(2) 0.09700(18) 0.09066(11)
C1 C -0.4611(3) 0.1707(2) 0.05809(13)
C2 C -0.2805(3) 0.0075(2) 0.17750(13)
H3 H -0.149(4) -0.053(3) 0.1975(18)
C3 C -0.4662(3) -0.0076(2) 0.23645(12)
C4 C -0.6507(3) 0.0698(2) 0.19638(13)
H4 H -0.783(4) 0.066(3) 0.2316(16)
C5 C -0.4694(3) -0.1014(2) 0.33370(12)
C6 C -0.3150(3) -0.0941(2) 0.39822(13)
C7 C -0.3208(3) -0.1785(2) 0.48996(13)
C8 C -0.4856(3) -0.2751(2) 0.52118(13)
C9 C -0.6410(3) -0.2874(2) 0.45975(14)
C10 C -0.6312(3) -0.2019(2) 0.36757(13)
C11 C -0.9407(3) 0.4385(2) -0.14041(13)
C12 C -0.9795(3) 0.5310(2) -0.24227(14)
Ag1* Ag 0.042756(19) 0.198124(18) 0.036328(9)
N3* N -1.2743(2) 0.09700(18) 0.09066(11)
#END

data_CSD_CIF_UNEKEE
_audit_creation_date 2011-06-16
_audit_creation_method CSD-ConQuest-V1
_database_code_CSD UNEKEE
_database_code_depnum_ccdc_archive 'CCDC 749827'
_chemical_formula_sum 'C13 H10 Ag1 F8 N3 O4 S1'
_chemical_formula_moiety
;
(C12 H10 Ag1 F5 N3 O1 1+)n,n(C1 F3 O3 S1 1-)
;
_journal_coden_Cambridge 1096
_journal_volume 22
_journal_year 2010
_journal_page_first 4749
_journal_name_full 'Chem.Mater. '
loop_
_publ_author_name
"I.Stoll"
"R.Brockhinke"
"A.Brockhinke"
"M.Bottcher"
"T.Koop"
"H.-G.Stammler"
"B.Neumann"
"A.Niemeyer"
"A.Hutten"
"J.Mattay"
_chemical_name_systematic
;
catena-((μ₂-5-(pentafluorophenyl)pyrimidin-2-amine)-(ethanol)-silver(i) 
trifluoromethanesulfonate)
;
_cell_volume   3682.324
_exptl_crystal_colour 'colorless'
_exptl_crystal_density_diffrn 2.035
_diffrn_ambient_temperature 100
#These two values have been output from a single CSD field.
_refine_ls_R_factor_gt 0.0194
_refine_ls_wR_factor_gt 0.0194
_symmetry_cell_setting monoclinic
_symmetry_space_group_name_H-M 'C 2/c'
_symmetry_Int_Tables_number 15
loop_
_symmetry_equiv_pos_site_id
_symmetry_equiv_pos_as_xyz
1 x,y,z
2 -x,y,1/2-z
3 1/2+x,1/2+y,z
4 1/2-x,1/2+y,1/2-z
5 -x,-y,-z
6 x,-y,-1/2+z
7 -1/2-x,-1/2-y,-z
8 -1/2+x,-1/2-y,-1/2+z
_cell_length_a 25.3931(18)
_cell_length_b 10.3439(16)
_cell_length_c 14.4518(13)
_cell_angle_alpha 90
_cell_angle_beta 104.055(5)
_cell_angle_gamma 90
_cell_formula_units_Z 8
loop_
_atom_type_symbol
_atom_type_radius_bond
C 0.68
H 0.23
Ag 1.30
F 0.64
N 0.68
O 0.68
S 1.02
loop_
_atom_site_label
_atom_site_type_symbol
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
Ag1 Ag 0.182304(4) 0.005041(10) 0.190119(7)
S1 S 0.142904(13) 0.10180(3) 0.43413(2)
F1 F 0.44317(3) 0.1824(1) 0.15367(6)
F2 F 0.50144(4) 0.13894(11) 0.02471(7)
F3 F 0.45103(4) 0.07937(11) -0.15907(7)
F4 F 0.34072(4) 0.06241(11) -0.21174(7)
F5 F 0.28137(3) 0.10808(9) -0.08482(6)
F6 F 0.16114(5) 0.34917(10) 0.43495(9)
F7 F 0.07712(5) 0.29678(13) 0.37627(9)
F8 F 0.11103(4) 0.29052(10) 0.52807(8)
O1 O 0.09598(4) 0.02492(11) 0.43770(8)
O2 O 0.18871(4) 0.08824(11) 0.51570(7)
O3 O 0.15680(4) 0.09921(11) 0.34270(7)
O4 O 0.09714(4) 0.09187(11) 0.11305(8)
H1 H 0.0912(10) 0.069(2) 0.0630(17)
N1 N 0.25599(5) 0.12774(11) 0.18526(8)
N2 N 0.25397(6) 0.23464(14) 0.32503(10)
H2 H 0.2291(8) 0.186(2) 0.3299(14)
H3 H 0.2677(8) 0.285(2) 0.3678(15)
N3 N 0.31639(5) 0.30346(12) 0.24367(8)
C1 C 0.27575(5) 0.22125(13) 0.25042(10)
C2 C 0.34213(5) 0.27971(13) 0.17506(10)
H4 H 0.3703(7) 0.3403(17) 0.1705(12)
C3 C 0.32808(5) 0.17810(13) 0.11043(9)
C4 C 0.28242(5) 0.10760(13) 0.11694(10)
H5 H 0.2690(7) 0.0420(18) 0.0742(13)
C5 C 0.35978(5) 0.15076(13) 0.03901(10)
C6 C 0.41646(6) 0.15559(14) 0.06317(10)
C7 C 0.44707(6) 0.13184(15) -0.00198(11)
C8 C 0.42169(6) 0.10044(15) -0.09503(11)
C9 C 0.36583(6) 0.09265(15) -0.12163(10)
C10 C 0.33580(6) 0.11710(14) -0.05543(10)
C11 C 0.12137(7) 0.26860(16) 0.44356(12)
C12 C 0.04922(6) 0.06650(18) 0.14750(12)
H6 H 0.0199(8) 0.1239(19) 0.1137(13)
H7 H 0.0574(8) 0.0943(19) 0.2159(14)
C13 C 0.03246(7) -0.0732(2) 0.13653(13)
H8 H 0.0605(9) -0.126(2) 0.1700(16)
H9 H 0.0232(8) -0.100(2) 0.0690(16)
H10 H 0.0012(9) -0.087(2) 0.1629(16)
Ag1C Ag 0.317696(4) 0.505041(10) 0.309881(7)
N3C N 0.18361(5) -0.19654(12) 0.25633(8)
#END

data_CSD_CIF_UNEKII
_audit_creation_date 2011-06-16
_audit_creation_method CSD-ConQuest-V1
_database_code_CSD UNEKII
_database_code_depnum_ccdc_archive 'CCDC 749828'
_chemical_formula_sum 'C14 H12 Ag1 F8 N3 O4 S1'
_chemical_formula_moiety
;
(C13 H12 Ag1 F5 N3 O1 1+)n,n(C1 F3 O3 S1 1-)
;
_journal_coden_Cambridge 1096
_journal_volume 22
_journal_year 2010
_journal_page_first 4749
_journal_name_full 'Chem.Mater. '
loop_
_publ_author_name
"I.Stoll"
"R.Brockhinke"
"A.Brockhinke"
"M.Bottcher"
"T.Koop"
"H.-G.Stammler"
"B.Neumann"
"A.Niemeyer"
"A.Hutten"
"J.Mattay"
_chemical_name_systematic
;
catena-((μ₂-5-(pentafluorophenyl)pyrimidin-2-amine)-(propan-2-ol)-silver(i)
 trifluoromethanesulfonate)
;
_cell_volume   2008.165
_exptl_crystal_colour 'colorless'
_exptl_crystal_density_diffrn 1.913
_diffrn_ambient_temperature 100
#These two values have been output from a single CSD field.
_refine_ls_R_factor_gt 0.0246
_refine_ls_wR_factor_gt 0.0246
_symmetry_cell_setting monoclinic
_symmetry_space_group_name_H-M 'P 21/c'
_symmetry_Int_Tables_number 14
loop_
_symmetry_equiv_pos_site_id
_symmetry_equiv_pos_as_xyz
1 x,y,z
2 -x,1/2+y,1/2-z
3 -x,-y,-z
4 x,-1/2-y,-1/2+z
_cell_length_a 14.734(2)
_cell_length_b 9.9412(13)
_cell_length_c 14.881(3)
_cell_angle_alpha 90
_cell_angle_beta 112.881(16)
_cell_angle_gamma 90
_cell_formula_units_Z 4
loop_
_atom_type_symbol
_atom_type_radius_bond
C 0.68
H 0.23
Ag 1.45
F 0.64
N 0.68
O 0.68
S 1.02
loop_
_atom_site_label
_atom_site_type_symbol
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
Ag1 Ag 0.630396(12) -0.246805(19) 0.265072(12)
S1 S 0.69658(4) -0.33857(6) 0.55324(4)
F1 F 0.54625(10) 0.12938(15) 0.60482(10)
F2 F 0.64639(11) 0.17013(17) 0.79602(11)
F3 F 0.84608(12) 0.17948(19) 0.87208(10)
F4 F 0.94608(10) 0.13964(19) 0.75429(11)
F5 F 0.84785(10) 0.09519(17) 0.56306(10)
F6 F 0.78344(16) -0.54713(18) 0.65820(13)
F7 F 0.82549(16) -0.5061(2) 0.53763(18)
F8 F 0.68417(16) -0.59303(16) 0.51233(13)
O1 O 0.66008(13) -0.31652(18) 0.44933(12)
O2 O 0.62074(13) -0.35511(19) 0.59098(13)
O3 O 0.77653(13) -0.25123(18) 0.60976(12)
O4 O 0.79009(12) -0.3182(2) 0.29789(13)
H1 H 0.800(2) -0.303(3) 0.250(2)
N1 N 0.62635(14) -0.03331(19) 0.32631(14)
N2 N 0.51364(17) 0.0392(2) 0.17865(16)
H2 H 0.539(2) -0.010(3) 0.153(2)
H3 H 0.467(2) 0.086(3) 0.144(2)
N3 N 0.50830(14) 0.13608(19) 0.31801(14)
C1 C 0.54989(16) 0.0484(2) 0.27551(17)
C2 C 0.55406(17) 0.1539(2) 0.41413(17)
H4 H 0.528(2) 0.216(3) 0.443(2)
C3 C 0.63956(16) 0.0852(2) 0.47072(16)
C4 C 0.67013(17) -0.0125(2) 0.42165(17)
H5 H 0.7229(18) -0.071(2) 0.4570(18)
C5 C 0.69299(17) 0.1086(2) 0.57624(16)
C6 C 0.64541(16) 0.1300(2) 0.63949(17)
C7 C 0.69593(18) 0.1523(3) 0.73799(17)
C8 C 0.79720(19) 0.1562(3) 0.77709(17)
C9 C 0.84717(17) 0.1354(3) 0.71699(18)
C10 C 0.79544(17) 0.1120(3) 0.61892(17)
C11 C 0.87256(18) -0.2655(3) 0.38075(18)
H6 H 0.8528(19) -0.278(3) 0.434(2)
C12 C 0.8886(2) -0.1182(3) 0.3676(2)
H7 H 0.912(2) -0.106(3) 0.313(2)
H8 H 0.937(2) -0.083(3) 0.425(2)
H9 H 0.831(2) -0.066(3) 0.354(2)
C13 C 0.9626(2) -0.3497(4) 0.3970(3)
H10 H 0.952(2) -0.441(3) 0.411(2)
H11 H 1.017(3) -0.318(3) 0.451(3)
H12 H 0.977(2) -0.345(3) 0.337(2)
C14 C 0.7510(2) -0.5047(3) 0.5666(2)
Ag1A Ag 0.369604(12) 0.253195(19) 0.234928(12)
N3A N 0.49170(14) -0.36392(19) 0.18199(14)
#END

data_CSD_CIF_UNEKOO
_audit_creation_date 2011-06-16
_audit_creation_method CSD-ConQuest-V1
_database_code_CSD UNEKOO
_database_code_depnum_ccdc_archive 'CCDC 749829'
_chemical_formula_sum 'C10 H4 Ag1 F5 N4 O3'
_chemical_formula_moiety
;
(C10 H4 Ag1 F5 N3 1+)n,n(N1 O3 1-)
;
_journal_coden_Cambridge 1096
_journal_volume 22
_journal_year 2010
_journal_page_first 4749
_journal_name_full 'Chem.Mater. '
loop_
_publ_author_name
"I.Stoll"
"R.Brockhinke"
"A.Brockhinke"
"M.Bottcher"
"T.Koop"
"H.-G.Stammler"
"B.Neumann"
"A.Niemeyer"
"A.Hutten"
"J.Mattay"
_chemical_name_systematic
;
catena-((μ₂-5-(pentafluorophenyl)pyrimidin-2-amine)-silver(i) nitrate)
;
_cell_volume   1304.434
_exptl_crystal_colour 'colorless'
_exptl_crystal_density_diffrn 2.195
_exptl_crystal_description 'plate'
_diffrn_ambient_temperature 220
#These two values have been output from a single CSD field.
_refine_ls_R_factor_gt 0.0242
_refine_ls_wR_factor_gt 0.0242
_symmetry_cell_setting monoclinic
_symmetry_space_group_name_H-M 'P 21/c'
_symmetry_Int_Tables_number 14
loop_
_symmetry_equiv_pos_site_id
_symmetry_equiv_pos_as_xyz
1 x,y,z
2 -x,1/2+y,1/2-z
3 -x,-y,-z
4 x,-1/2-y,-1/2+z
_cell_length_a 12.5418(3)
_cell_length_b 9.2268(2)
_cell_length_c 12.6265(3)
_cell_angle_alpha 90
_cell_angle_beta 116.7796(11)
_cell_angle_gamma 90
_cell_formula_units_Z 4
loop_
_atom_type_symbol
_atom_type_radius_bond
C 0.68
H 0.23
Ag 1.45
F 0.64
N 0.68
O 0.68
loop_
_atom_site_label
_atom_site_type_symbol
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
Ag1 Ag 0.865995(18) 0.219706(19) 0.212334(15)
N1 N 0.83529(19) 0.3488(2) 0.05072(16)
N2 N 0.9138(2) 0.1704(3) -0.0210(2)
H1 H 0.932(3) 0.136(3) -0.070(3)
H2 H 0.943(3) 0.125(3) 0.047(3)
N3 N 0.82691(18) 0.3660(2) -0.14200(16)
F1 F 0.80693(16) 0.80160(18) -0.17273(16)
F2 F 0.68212(17) 1.04829(18) -0.22987(15)
F3 F 0.49796(17) 1.08718(19) -0.17482(16)
F4 F 0.43229(15) 0.8678(2) -0.07308(17)
F5 F 0.55538(16) 0.61836(18) -0.01721(16)
C1 C 0.8580(2) 0.2969(2) -0.03782(19)
C2 C 0.7720(2) 0.4940(3) -0.1567(2)
H3 H 0.750(2) 0.538(3) -0.231(2)
C3 C 0.7482(2) 0.5585(2) -0.0703(2)
C4 C 0.7829(2) 0.4790(3) 0.0339(2)
H4 H 0.775(2) 0.515(3) 0.100(3)
C5 C 0.6859(2) 0.6998(2) -0.0925(2)
C6 C 0.7149(2) 0.8139(3) -0.1468(2)
C7 C 0.6517(2) 0.9425(3) -0.1754(2)
C8 C 0.5585(2) 0.9612(3) -0.1490(2)
C9 C 0.5264(2) 0.8509(3) -0.0958(2)
C10 C 0.5907(2) 0.7235(3) -0.0673(2)
N4 N 1.10139(19) 0.3943(2) 0.35019(16)
O1 O 1.09193(19) 0.2610(2) 0.34209(19)
O2 O 1.19976(16) 0.4557(2) 0.38462(15)
O3 O 1.00802(16) 0.46998(19) 0.32360(15)
Ag1C Ag 0.865995(18) 0.280294(19) -0.287666(15)
N3C N 0.82691(18) 0.1340(2) 0.35800(16)
#END

data_CSD_CIF_UYEJIS
_audit_creation_date 2011-10-03
_audit_creation_method CSD-ConQuest-V1
_database_code_CSD UYEJIS
_database_code_depnum_ccdc_archive 'CCDC 710346'
_chemical_formula_sum 'C8 H10 Ag2 Cl2 N8 O7'
_chemical_formula_moiety
;
(C8 H8 Ag2 Cl2 N8 O6)n,n(H2 O1)
;
_journal_coden_Cambridge 580
_journal_volume 30
_journal_year 2011
_journal_page_first 2260
_journal_name_full 'Polyhedron '
loop_
_publ_author_name
"Chia-Jun Wu"
"Chih-Yuan Lin"
"Pei-Chi Cheng"
"Chun-Wei Yeh"
"Jhy-Der Chen"
"Ju-Chun Wang"
_chemical_name_systematic
;
catena-(bis(μ₃-nitrato)-bis(μ₂-5-chloropyrimidin-2-amine)-di-silver 
monohydrate)
;
_cell_volume   1822.556
_exptl_crystal_colour 'colorless'
_exptl_crystal_density_diffrn 2.248
_exptl_crystal_description 'plate'
_diffrn_ambient_temperature 295
_refine_special_details
;
Cl and Cl' disordered over two sites with occupancies 0.50:0.50.

;
#These two values have been output from a single CSD field.
_refine_ls_R_factor_gt 0.0349
_refine_ls_wR_factor_gt 0.0349
_symmetry_cell_setting tetragonal
_symmetry_space_group_name_H-M 'P 42/n m c'
_symmetry_Int_Tables_number 137
loop_
_symmetry_equiv_pos_site_id
_symmetry_equiv_pos_as_xyz
1 x,y,z
2 1/2-x,1/2-y,z
3 1/2-y,x,1/2+z
4 y,1/2-x,1/2+z
5 -x,1/2+y,-z
6 1/2+x,-y,-z
7 1/2+y,1/2+x,1/2-z
8 -y,-x,1/2-z
9 -x,-y,-z
10 -1/2+x,-1/2+y,-z
11 -1/2+y,-x,-1/2-z
12 -y,-1/2+x,-1/2-z
13 x,-1/2-y,z
14 -1/2-x,y,z
15 -1/2-y,-1/2-x,-1/2+z
16 y,x,-1/2+z
_cell_length_a 16.3565(8)
_cell_length_b 16.3565(8)
_cell_length_c 6.8124(5)
_cell_angle_alpha 90
_cell_angle_beta 90
_cell_angle_gamma 90
_cell_formula_units_Z 4
loop_
_atom_type_symbol
_atom_type_radius_bond
C 0.68
H 0.23
Ag 1.45
Cl 0.99
N 0.68
O 0.68
loop_
_atom_site_label
_atom_site_type_symbol
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
Ag1 Ag 0.94082(3) 0.05918(3) 0.75000
Cl1 Cl 1.1633(4) 0.25000 1.2169(9)
O1 O 1.1262(3) -0.1262(3) 0.75000
O2 O 1.0786(3) -0.0175(3) 0.8687(7)
O3 O 1.25000 -0.25000 0.983(10)
N1 N 1.0097(3) 0.1767(3) 0.8185(6)
N2 N 0.9438(9) 0.25000 0.5775(15)
H1 H 0.92840 0.20230 0.51900
N3 N 1.0751(3) -0.0751(3) 0.75000
C1 C 1.0824(5) 0.25000 1.0576(14)
C2 C 1.0569(3) 0.1783(3) 0.9766(8)
H2 H 1.07290 0.12920 1.03370
C3 C 0.9885(6) 0.25000 0.7390(13)
Cl2? Cl 1.1228(4) 0.25000 1.3066(8)
Ag1H Ag 1.05918(3) -0.05918(3) 1.25000
Ag1K Ag 0.94082(3) 0.44082(3) 0.75000
Ag1H* Ag 1.05918(3) -0.05918(3) 0.25000
Ag1* Ag 0.94082(3) 0.05918(3) 1.75000
Ag1J Ag 0.55918(3) 0.05918(3) 0.75000
Cl1G Cl 0.7500(4) -0.16330 0.2831(9)
O1H O 0.8738(3) 0.1262(3) 1.25000
O2G O 1.0175(3) -0.0786(3) 0.6313(7)
O2H O 0.9214(3) 0.0175(3) 1.1313(7)
O2O O 0.9825(3) 0.0786(3) 1.3687(7)
O2O* O 0.9825(3) 0.0786(3) 0.3687(7)
O2G* O 1.0175(3) -0.0786(3) 1.6313(7)
N1L N 1.0097(3) 0.3233(3) 0.8185(6)
N1G N 0.8233(3) -0.0097(3) 0.6815(6)
N1J N 0.6767(3) -0.0097(3) 0.6815(6)
N1H N 0.9903(3) -0.1767(3) 1.1815(6)
N1O N 1.1767(3) 0.0097(3) 1.3185(6)
N2G N 0.7500(9) 0.05620 0.9225(15)
H1L H 0.92840 0.29770 0.51900
H1G H 0.79770 0.07160 0.98100
H1J H 0.70230 0.07160 0.98100
N3H N 0.9249(3) 0.0751(3) 1.25000
C1G C 0.7500(5) -0.08240 0.4424(14)
C2L C 1.0569(3) 0.3217(3) 0.9766(8)
C2G C 0.8217(3) -0.0569(3) 0.5234(8)
C2J C 0.6783(3) -0.0569(3) 0.5234(8)
H2L H 1.07290 0.37080 1.03370
H2G H 0.87080 -0.07290 0.46630
H2J H 0.62920 -0.07290 0.46630
C3G C 0.7500(6) 0.01150 0.7610(13)
#END

data_CSD_CIF_UYEJOY
_audit_creation_date 2011-10-03
_audit_creation_method CSD-ConQuest-V1
_database_code_CSD UYEJOY
_database_code_depnum_ccdc_archive 'CCDC 710347'
_chemical_formula_sum 'C8 H10 Ag2 Br2 N8 O7'
_chemical_formula_moiety
;
(C8 H8 Ag2 Br2 N8 O6)n,n(H2 O1)
;
_journal_coden_Cambridge 580
_journal_volume 30
_journal_year 2011
_journal_page_first 2260
_journal_name_full 'Polyhedron '
loop_
_publ_author_name
"Chia-Jun Wu"
"Chih-Yuan Lin"
"Pei-Chi Cheng"
"Chun-Wei Yeh"
"Jhy-Der Chen"
"Ju-Chun Wang"
_chemical_name_systematic
;
catena-(bis(μ₃-nitrato)-bis(μ₂-5-bromopyrimidin-2-amine)-di-silver 
monohydrate)
;
_cell_volume   1858.984
_exptl_crystal_colour 'colorless'
_exptl_crystal_density_diffrn 2.522
_exptl_crystal_description 'plate'
_diffrn_ambient_temperature 295
_refine_special_details
;
Br and Br' disordered over two sites with occupancies 0.50:0.50.

;
#These two values have been output from a single CSD field.
_refine_ls_R_factor_gt 0.0344
_refine_ls_wR_factor_gt 0.0344
_symmetry_cell_setting tetragonal
_symmetry_space_group_name_H-M 'P 42/n m c'
_symmetry_Int_Tables_number 137
loop_
_symmetry_equiv_pos_site_id
_symmetry_equiv_pos_as_xyz
1 x,y,z
2 1/2-x,1/2-y,z
3 1/2-y,x,1/2+z
4 y,1/2-x,1/2+z
5 -x,1/2+y,-z
6 1/2+x,-y,-z
7 1/2+y,1/2+x,1/2-z
8 -y,-x,1/2-z
9 -x,-y,-z
10 -1/2+x,-1/2+y,-z
11 -1/2+y,-x,-1/2-z
12 -y,-1/2+x,-1/2-z
13 x,-1/2-y,z
14 -1/2-x,y,z
15 -1/2-y,-1/2-x,-1/2+z
16 y,x,-1/2+z
_cell_length_a 16.5381(12)
_cell_length_b 16.5381(12)
_cell_length_c 6.7968(8)
_cell_angle_alpha 90
_cell_angle_beta 90
_cell_angle_gamma 90
_cell_formula_units_Z 4
loop_
_atom_type_symbol
_atom_type_radius_bond
C 0.68
H 0.23
Ag 1.45
Br 1.21
N 0.68
O 0.68
loop_
_atom_site_label
_atom_site_type_symbol
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
Ag1 Ag 0.43950(3) 0.56050(3) 0.25000
Br1 Br 0.25000 0.37798(14) -0.3295(3)
O1 O 0.4842(3) 0.5754(3) -0.1308(6)
O2 O 0.3758(4) 0.6242(4) -0.25000
O3 O 0.25000 0.75000 -0.048(9)
N1 N 0.3224(3) 0.4954(3) 0.1809(7)
N2 N 0.25000 0.5583(9) 0.4271(14)
H1 H 0.29710 0.56890 0.48690
N3 N 0.4269(3) 0.5731(3) -0.25000
C1 C 0.25000 0.4242(5) -0.0644(12)
C2 C 0.3208(3) 0.4493(3) 0.0213(8)
H2 H 0.36960 0.43330 -0.03470
C3 C 0.25000 0.5151(7) 0.2610(12)
Br2? Br 0.25000 0.33790(17) -0.2382(4)
Ag1* Ag 0.43950(3) 0.56050(3) -0.75000
Ag1H Ag 0.56050(3) 0.43950(3) -0.25000
Ag1J Ag 0.06050(3) 0.56050(3) 0.25000
Ag1H* Ag 0.56050(3) 0.43950(3) 0.75000
Ag1** Ag 0.43950(3) 0.56050(3) 1.25000
Ag1K Ag 0.43950(3) 0.93950(3) 0.25000
Br1G Br 0.62202 0.75000(14) 0.8295(3)
O1G O 0.4246(3) 0.5158(3) -0.3692(6)
O1G* O 0.4246(3) 0.5158(3) 0.6308(6)
O1* O 0.4842(3) 0.5754(3) 0.8692(6)
O1O O 0.5754(3) 0.4842(3) 0.3692(6)
O1H O 0.5158(3) 0.4246(3) 0.1308(6)
O1** O 0.4842(3) 0.5754(3) -1.1308(6)
O1H* O 0.5158(3) 0.4246(3) -0.8692(6)
O1O* O 0.5754(3) 0.4842(3) -0.6308(6)
O2* O 0.3758(4) 0.6242(4) 0.75000
N1M N 0.1776(3) 0.4954(3) 0.1809(7)
N1G N 0.5046(3) 0.6776(3) 0.3191(7)
N1K N 0.5046(3) 0.8224(3) 0.3191(7)
N1G* N 0.5046(3) 0.6776(3) -0.6809(7)
N1* N 0.3224(3) 0.4954(3) -0.8191(7)
N2G N 0.44170 0.7500(9) 0.0729(14)
H1M H 0.20290 0.56890 0.48690
H1G H 0.43110 0.70290 0.01310
H1K H 0.43110 0.79710 0.01310
N3* N 0.4269(3) 0.5731(3) 0.75000
C1G C 0.57580 0.7500(5) 0.5644(12)
C2M C 0.1792(3) 0.4493(3) 0.0213(8)
C2G C 0.5507(3) 0.6792(3) 0.4787(8)
C2K C 0.5507(3) 0.8208(3) 0.4787(8)
H2M H 0.13040 0.43330 -0.03470
H2G H 0.56670 0.63040 0.53470
H2K H 0.56670 0.86960 0.53470
C3G C 0.48490 0.7500(7) 0.2390(12)
#END

data_CSD_CIF_UYEJUE
_audit_creation_date 2011-10-03
_audit_creation_method CSD-ConQuest-V1
_database_code_CSD UYEJUE
_database_code_depnum_ccdc_archive 'CCDC 773534'
_chemical_formula_sum 'C54 H72 Ag6 F18 I6 N18 O24 S6'
_chemical_formula_moiety
;
C24 H24 Ag6 I6 N18 6+,6(C4 H8 O1),6(C1 F3 O3 S1 1-)
;
_journal_coden_Cambridge 580
_journal_volume 30
_journal_year 2011
_journal_page_first 2260
_journal_name_full 'Polyhedron '
loop_
_publ_author_name
"Chia-Jun Wu"
"Chih-Yuan Lin"
"Pei-Chi Cheng"
"Chun-Wei Yeh"
"Jhy-Der Chen"
"Ju-Chun Wang"
_chemical_name_systematic
;
cyclo-hexakis(μ₂-5-iodopyrimidin-2-amine)-hexa-silver 
hexakis(trifluoromethanesulfonate) tetrahydrofuran solvate
;
_cell_volume   2848.582
_exptl_crystal_colour 'colorless'
_exptl_crystal_density_diffrn 1.924
_exptl_crystal_description 'block'
_diffrn_ambient_temperature 296
#These two values have been output from a single CSD field.
_refine_ls_R_factor_gt 0.0509
_refine_ls_wR_factor_gt 0.0509
_symmetry_cell_setting rhombohedral
_symmetry_space_group_name_H-M 'R -3'
_symmetry_Int_Tables_number 148
loop_
_symmetry_equiv_pos_site_id
_symmetry_equiv_pos_as_xyz
1 x,y,z
2 z,x,y
3 y,z,x
4 -x,-y,-z
5 -z,-x,-y
6 -y,-z,-x
_cell_length_a 16.1001(3)
_cell_length_b 16.1001(3)
_cell_length_c 16.1001(3)
_cell_angle_alpha 112.159(1)
_cell_angle_beta 112.159(1)
_cell_angle_gamma 112.159(1)
_cell_formula_units_Z 1
loop_
_atom_type_symbol
_atom_type_radius_bond
C 0.68
H 0.23
Ag 1.45
F 0.64
I 1.40
N 0.68
O 0.68
S 1.00
loop_
_atom_site_label
_atom_site_type_symbol
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
Ag1 Ag 0.19298(4) 0.58679(4) 0.59585(4)
I1 I -0.05133(3) 0.24994(5) 0.65516(5)
N1 N 0.1944(3) 0.4882(3) 0.6599(3)
N2 N 0.3833(4) 0.5701(5) 0.7447(5)
H1 H 0.38650 0.61200 0.72330
H2 H 0.44270 0.57620 0.78250
N3 N 0.2445(3) 0.7151(3) 0.5681(4)
C1 C 0.0985(4) 0.4155(4) 0.6384(4)
H3 H 0.03380 0.40730 0.59540
C2 C 0.0929(4) 0.3529(4) 0.6779(4)
C3 C 0.2650(4) 0.8116(4) 0.6369(5)
H4 H 0.23900 0.81370 0.67980
C4 C 0.2853(4) 0.4950(4) 0.7191(4)
S1 S -0.31486(16) 0.0401(2) 0.64090(18)
C5 C -0.2198(12) 0.0681(11) 0.7676(13)
O1 O -0.2407(8) 0.1762(7) 0.7019(9)
O2? O -0.380(1) -0.0970(8) 0.5898(10)
O3 O -0.2903(7) 0.0176(7) 0.5674(6)
O4 O -0.4057(6) 0.0293(6) 0.6203(9)
F1 F -0.272(2) -0.0470(16) 0.7298(18)
F2? F -0.1670(17) 0.1981(18) 0.8085(18)
F3 F -0.1292(8) 0.0945(8) 0.7879(7)
F4 F -0.2300(11) 0.1019(8) 0.8386(6)
O5 O -0.1674(12) -0.1366(18) 0.4627(10)
C6 C -0.2267(6) -0.2258(7) 0.4512(7)
H5 H -0.25080 -0.29090 0.38390
H6 H -0.29340 -0.23520 0.44210
C7 C -0.1670(13) -0.2197(12) 0.5413(12)
H7 H -0.16050 -0.28050 0.51820
H8 H -0.20540 -0.22730 0.57520
C8 C -0.0509(16) -0.0452(17) 0.5779(16)
H9 H 0.00970 -0.02290 0.57110
H10 H -0.04440 0.02060 0.62320
C9 C -0.056(2) -0.1126(16) 0.6222(16)
H11 H 0.00070 -0.12410 0.63330
H12 H -0.04270 -0.07260 0.69410
Ag1E Ag 0.41321(4) 0.40415(4) 0.80702(4)
Ag1A Ag 0.59585(4) 0.19298(4) 0.58679(4)
Ag1C Ag 0.80702(4) 0.41321(4) 0.40415(4)
Ag1B Ag 0.58679(4) 0.59585(4) 0.19298(4)
Ag1D Ag 0.40415(4) 0.80702(4) 0.41321(4)
I1E I 0.75006(3) 0.34484(5) 1.05133(5)
I1A I 0.65516(3) -0.05133(5) 0.24994(5)
I1C I 1.05133(3) 0.75006(5) 0.34484(5)
I1B I 0.24994(3) 0.65516(5) -0.05133(5)
I1D I 0.34484(3) 1.05133(5) 0.75006(5)
N1E N 0.5118(3) 0.3401(3) 0.8056(3)
N1A N 0.6599(3) 0.1944(3) 0.4882(3)
N1C N 0.8056(3) 0.5118(3) 0.3401(3)
N1B N 0.4882(3) 0.6599(3) 0.1944(3)
N1D N 0.3401(3) 0.8056(3) 0.5118(3)
N2D N 0.2553(4) 0.6167(5) 0.4299(5)
N2B N 0.5701(4) 0.7447(5) 0.3833(5)
N2C N 0.6167(4) 0.4299(5) 0.2553(5)
N2A N 0.7447(4) 0.3833(5) 0.5701(5)
N2E N 0.4299(4) 0.2553(5) 0.6167(5)
H1D H 0.27670 0.61350 0.38800
H1B H 0.61200 0.72330 0.38650
H1C H 0.61350 0.38800 0.27670
H1A H 0.72330 0.38650 0.61200
H1E H 0.38800 0.27670 0.61350
H2D H 0.21750 0.55730 0.42380
H2B H 0.57620 0.78250 0.44270
H2C H 0.55730 0.42380 0.21750
H2A H 0.78250 0.44270 0.57620
H2E H 0.42380 0.21750 0.55730
N3E N 0.2849(3) 0.4319(3) 0.7555(4)
N3A N 0.5681(3) 0.2445(3) 0.7151(4)
N3C N 0.7555(3) 0.2849(3) 0.4319(4)
N3B N 0.7151(3) 0.5681(3) 0.2445(4)
N3D N 0.4319(3) 0.7555(3) 0.2849(4)
C1E C 0.5845(4) 0.3616(4) 0.9015(4)
C1A C 0.6384(4) 0.0985(4) 0.4155(4)
C1C C 0.9015(4) 0.5845(4) 0.3616(4)
C1B C 0.4155(4) 0.6384(4) 0.0985(4)
C1D C 0.3616(4) 0.9015(4) 0.5845(4)
H3E H 0.59270 0.40460 0.96620
H3A H 0.59540 0.03380 0.40730
H3C H 0.96620 0.59270 0.40460
H3B H 0.40730 0.59540 0.03380
H3D H 0.40460 0.96620 0.59270
C2E C 0.6471(4) 0.3221(4) 0.9071(4)
C2A C 0.6779(4) 0.0929(4) 0.3529(4)
C2C C 0.9071(4) 0.6471(4) 0.3221(4)
C2B C 0.3529(4) 0.6779(4) 0.0929(4)
C2D C 0.3221(4) 0.9071(4) 0.6471(4)
C3E C 0.1884(4) 0.3631(4) 0.7350(5)
C3A C 0.6369(4) 0.2650(4) 0.8116(5)
C3C C 0.7350(4) 0.1884(4) 0.3631(5)
C3B C 0.8116(4) 0.6369(4) 0.2650(5)
C3D C 0.3631(4) 0.7350(4) 0.1884(5)
H4D H 0.32020 0.76100 0.18630
H4B H 0.81370 0.67980 0.23900
H4C H 0.76100 0.18630 0.32020
H4A H 0.67980 0.23900 0.81370
H4E H 0.18630 0.32020 0.76100
C4D C 0.2809(4) 0.7147(4) 0.5050(4)
C4B C 0.4950(4) 0.7191(4) 0.2853(4)
C4C C 0.7147(4) 0.5050(4) 0.2809(4)
C4A C 0.7191(4) 0.2853(4) 0.4950(4)
C4E C 0.5050(4) 0.2809(4) 0.7147(4)
#END

data_CSD_CIF_UYEKAL
_audit_creation_date 2011-10-03
_audit_creation_method CSD-ConQuest-V1
_database_code_CSD UYEKAL
_database_code_depnum_ccdc_archive 'CCDC 773535'
_chemical_formula_sum 'C8 H8 Ag2 Cl4 N6 O8'
_chemical_formula_moiety
;
(C8 H8 Ag2 Cl4 N6 O8)n
;
_journal_coden_Cambridge 580
_journal_volume 30
_journal_year 2011
_journal_page_first 2260
_journal_name_full 'Polyhedron '
loop_
_publ_author_name
"Chia-Jun Wu"
"Chih-Yuan Lin"
"Pei-Chi Cheng"
"Chun-Wei Yeh"
"Jhy-Der Chen"
"Ju-Chun Wang"
_chemical_name_systematic
;
catena-((μ₃-perchlorato)-bis(μ₂-5-chloropyrimidin-2-amine)-perchlorato-d
i-silver)
;
_cell_volume   3646.760
_exptl_crystal_colour 'colorless'
_exptl_crystal_density_diffrn 2.454
_exptl_crystal_description 'plate'
_diffrn_ambient_temperature 295
_refine_special_details
;
O3,O4,O5,O6 disordered by symmetry over two sites with occupancy 0.50.

;
#These two values have been output from a single CSD field.
_refine_ls_R_factor_gt 0.0422
_refine_ls_wR_factor_gt 0.0422
_symmetry_cell_setting orthorhombic
_symmetry_space_group_name_H-M 'I b c a'
_symmetry_Int_Tables_number 73
loop_
_symmetry_equiv_pos_site_id
_symmetry_equiv_pos_as_xyz
1 x,y,z
2 1/2-x,-y,1/2+z
3 -x,1/2+y,1/2-z
4 1/2+x,1/2-y,-z
5 1/2+x,1/2+y,1/2+z
6 -x,1/2-y,z
7 1/2-x,y,-z
8 x,-y,1/2-z
9 -x,-y,-z
10 -1/2+x,y,-1/2-z
11 x,-1/2-y,-1/2+z
12 -1/2-x,-1/2+y,z
13 -1/2-x,-1/2-y,-1/2-z
14 x,-1/2+y,-z
15 -1/2+x,-y,z
16 -x,y,-1/2+z
_cell_length_a 7.1482(6)
_cell_length_b 19.1748(16)
_cell_length_c 26.606(2)
_cell_angle_alpha 90
_cell_angle_beta 90
_cell_angle_gamma 90
_cell_formula_units_Z 8
loop_
_atom_type_symbol
_atom_type_radius_bond
C 0.68
H 0.23
Ag 1.45
Cl 0.99
N 0.68
O 0.68
loop_
_atom_site_label
_atom_site_type_symbol
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
Ag1 Ag 0.75000 0.06635(5) 0.00000
Ag2 Ag 0.50000 0.25000 0.17678(3)
Cl1 Cl 0.5228(5) -0.05226(10) 0.18685(8)
N1 N 0.5881(9) 0.1453(3) 0.1466(2)
N2 N 0.7464(11) 0.1926(3) 0.0798(2)
H1 H 0.73290 0.23330 0.09290
H2 H 0.80440 0.18800 0.05170
N3 N 0.6979(10) 0.0738(3) 0.0800(2)
C1 C 0.6778(11) 0.1370(4) 0.1029(2)
C2 C 0.6435(14) 0.0176(4) 0.1056(3)
H3 H 0.65680 -0.02610 0.09090
C3 C 0.5693(14) 0.0223(4) 0.1524(3)
C4 C 0.5378(14) 0.0881(4) 0.1719(3)
H4 H 0.48060 0.09260 0.20310
Cl2 Cl 0.00000 0.25000 0.20068(9)
O1 O 0.0869(8) 0.3021(3) 0.23239(19)
O2 O -0.1368(8) 0.2840(3) 0.16965(19)
Cl3 Cl 0.75000 -0.13408(16) 0.00000
O3 O 0.592(3) -0.1830(8) -0.0001(9)
O4 O 0.787(3) -0.1398(7) 0.0591(4)
O5 O 0.824(2) -0.0668(5) 0.0035(12)
O6 O 0.889(4) -0.1507(14) -0.0256(10)
Ag2* Ag -0.50000 0.25000 0.17678(3)
Ag2C Ag 1.00000 0.25000 -0.17678(3)
Ag2I Ag 0.00000 0.25000 0.32322(3)
Cl1F Cl 0.9772(5) -0.05226(10) -0.18685(8)
N1F N 0.9119(9) 0.1453(3) -0.1466(2)
N1E N 0.4119(9) 0.3547(3) 0.1466(2)
N2F N 0.7536(11) 0.1926(3) -0.0798(2)
H1F H 0.76710 0.23330 -0.09290
H2F H 0.69560 0.18800 -0.05170
N3F N 0.8021(10) 0.0738(3) -0.0800(2)
C1F C 0.8222(11) 0.1370(4) -0.1029(2)
C2F C 0.8565(14) 0.0176(4) -0.1056(3)
H3F H 0.84320 -0.02610 -0.09090
C3F C 0.9307(14) 0.0223(4) -0.1524(3)
C4F C 0.9622(14) 0.0881(4) -0.1719(3)
H4F H 1.01940 0.09260 -0.20310
O1E O -0.0869(8) 0.1979(3) 0.23239(19)
O1I O 0.5869(8) 0.3021(3) 0.26761(19)
O1L O 0.4131(8) 0.1979(3) 0.26761(19)
O2E O 0.1368(8) 0.2160(3) 0.16965(19)
O2* O 0.8632(8) 0.2840(3) 0.16965(19)
O3F O 0.908(3) -0.1830(8) 0.0001(9)
O4F O 0.713(3) -0.1398(7) -0.0591(4)
O5F O 0.676(2) -0.0668(5) -0.0035(12)
O6F O 0.611(4) -0.1507(14) 0.0256(10)
#END

data_CSD_CIF_UYEKEP
_audit_creation_date 2011-10-03
_audit_creation_method CSD-ConQuest-V1
_database_code_CSD UYEKEP
_database_code_depnum_ccdc_archive 'CCDC 773536'
_chemical_formula_sum 'C8 H8 Ag2 Br2 Cl2 N6 O8'
_chemical_formula_moiety
;
(C8 H8 Ag2 Br2 N6 2+)n,2n(Cl1 O4 1-)
;
_journal_coden_Cambridge 580
_journal_volume 30
_journal_year 2011
_journal_page_first 2260
_journal_name_full 'Polyhedron '
loop_
_publ_author_name
"Chia-Jun Wu"
"Chih-Yuan Lin"
"Pei-Chi Cheng"
"Chun-Wei Yeh"
"Jhy-Der Chen"
"Ju-Chun Wang"
_chemical_name_systematic
;
catena-(bis(μ₂-5-Bromopyrimidin-2-amine)-silver diperchlorate)
;
_cell_volume   3744.341
_exptl_crystal_colour 'colorless'
_exptl_crystal_density_diffrn 2.706
_exptl_crystal_description 'block'
_diffrn_ambient_temperature 295
_refine_special_details
;
O6',O7' and O6,O7 disordered over two sites with occupancies 0.60:0.40; 
O5,O8' and O5',O8 disordered over two sites with occupancies 0.50:0.50.
;
#These two values have been output from a single CSD field.
_refine_ls_R_factor_gt 0.0346
_refine_ls_wR_factor_gt 0.0346
_symmetry_cell_setting orthorhombic
_symmetry_space_group_name_H-M 'P b c a'
_symmetry_Int_Tables_number 61
loop_
_symmetry_equiv_pos_site_id
_symmetry_equiv_pos_as_xyz
1 x,y,z
2 1/2-x,-y,1/2+z
3 -x,1/2+y,1/2-z
4 1/2+x,1/2-y,-z
5 -x,-y,-z
6 -1/2+x,y,-1/2-z
7 x,-1/2-y,-1/2+z
8 -1/2-x,-1/2+y,z
_cell_length_a 19.3213(16)
_cell_length_b 7.1994(6)
_cell_length_c 26.918(2)
_cell_angle_alpha 90
_cell_angle_beta 90
_cell_angle_gamma 90
_cell_formula_units_Z 8
loop_
_atom_type_symbol
_atom_type_radius_bond
C 0.68
H 0.23
Ag 1.45
Br 1.21
Cl 0.92
N 0.68
O 0.68
loop_
_atom_site_label
_atom_site_type_symbol
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
Ag1 Ag 0.82118(3) 0.04731(8) 0.247464(15)
Ag2 Ag 0.99401(2) -0.23714(7) 0.074045(17)
Br1 Br 0.68774(3) -0.15993(10) 0.06152(2)
Br2 Br 0.69879(3) 0.27765(9) 0.43513(2)
N1 N 0.8257(2) -0.0050(7) 0.16869(15)
N2 N 0.9445(2) 0.0257(7) 0.16715(17)
H1 H 0.94250 0.08070 0.19550
H2 H 0.98390 0.00880 0.15290
N3 N 0.8923(2) -0.1203(7) 0.10119(16)
N4 N 0.9009(2) 0.1979(6) 0.39281(16)
N5 N 0.9465(2) 0.0385(7) 0.32703(18)
H3 H 0.98660 0.04710 0.34070
H4 H 0.94190 -0.01770 0.29900
N6 N 0.8294(2) 0.0978(7) 0.32602(15)
C1 C 0.7688(3) -0.0490(8) 0.14386(19)
H5 H 0.72610 -0.03120 0.15910
C2 C 0.7706(3) -0.1198(8) 0.09652(19)
C3 C 0.8350(3) -0.1603(8) 0.07697(19)
H6 H 0.83790 -0.21710 0.04600
C4 C 0.8869(3) -0.0332(8) 0.14547(18)
C5 C 0.8913(3) 0.1121(8) 0.34934(18)
C6 C 0.8450(3) 0.2544(8) 0.4172(2)
H7 H 0.85050 0.31210 0.44780
C7 C 0.7794(3) 0.2303(8) 0.39858(18)
C8 C 0.7747(3) 0.1542(8) 0.35164(19)
H8 H 0.73110 0.14190 0.33730
Cl1 Cl 0.99276(6) -0.2597(2) -0.04687(5)
O1 O 1.0466(2) -0.1841(6) -0.01618(15)
O2 O 1.0216(2) -0.3969(6) -0.07892(16)
O3 O 0.9409(2) -0.3417(7) -0.01531(15)
O4 O 0.9616(2) -0.1160(6) -0.07654(15)
Cl2 Cl 0.61751(9) 0.0393(3) 0.24725(8)
O5 O 0.6859(7) 0.109(3) 0.2469(5)
O6 O 0.5709(8) -0.118(2) 0.2494(6)
O7 O 0.6128(5) 0.0814(16) 0.1901(3)
O8 O 0.6026(10) 0.173(3) 0.2735(7)
O9? O 0.6857(6) -0.0436(16) 0.2522(4)
O10? O 0.5979(14) -0.102(3) 0.2254(10)
O11? O 0.6130(8) 0.012(2) 0.3072(4)
O12? O 0.5712(7) 0.200(2) 0.2516(6)
Ag2B Ag 1.00599(2) 0.26286(7) 0.425955(17)
N4B N 1.0991(2) -0.3021(6) 0.10719(16)
#END

data_CSD_CIF_UYURAI
_audit_creation_date 2011-11-07
_audit_creation_method CSD-ConQuest-V1
_database_code_CSD UYURAI
_database_code_depnum_ccdc_archive 'CCDC 800281'
_chemical_formula_sum 'C112 H104 Ag6 Cl4 N6 O16 P8'
_chemical_formula_moiety
;
C112 H104 Ag6 N6 P8 4+,4(Cl1 O4 1-)
;
_journal_coden_Cambridge 1295
_journal_volume 14
_journal_year 2011
_journal_page_first 1039
_journal_name_full 'Inorg.Chem.Commun. '
loop_
_publ_author_name
"Di Sun"
"Na Zhang"
"Rong-Bin Huang"
"Lan-Sun Zheng"
_chemical_name_systematic
;
bis(μ₄-4,6-dimethylpyrimidin-2-aminato)-tetrakis(μ₂-bis(diphenylphosphin
o)methane)-hexa-silver tetraperchlorate
;
_cell_volume   5677.467
_exptl_crystal_colour 'yellow'
_exptl_crystal_density_diffrn 1.654
_exptl_crystal_description 'block'
_diffrn_ambient_temperature 173
#These two values have been output from a single CSD field.
_refine_ls_R_factor_gt 0.0679
_refine_ls_wR_factor_gt 0.0679
_symmetry_cell_setting monoclinic
_symmetry_space_group_name_H-M 'P 21/c'
_symmetry_Int_Tables_number 14
loop_
_symmetry_equiv_pos_site_id
_symmetry_equiv_pos_as_xyz
1 x,y,z
2 -x,1/2+y,1/2-z
3 -x,-y,-z
4 x,-1/2-y,-1/2+z
_cell_length_a 19.195(3)
_cell_length_b 13.014(2)
_cell_length_c 24.499(5)
_cell_angle_alpha 90
_cell_angle_beta 111.921(4)
_cell_angle_gamma 90
_cell_formula_units_Z 2
loop_
_atom_type_symbol
_atom_type_radius_bond
C 0.68
H 0.23
Ag 1.39
Cl 0.99
N 0.68
O 0.68
P 1.05
loop_
_atom_site_label
_atom_site_type_symbol
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
Ag1 Ag 0.25297(3) 0.47440(4) 0.40889(3)
Ag2 Ag 0.36491(3) 0.45430(4) 0.34876(2)
Ag3 Ag 0.41224(3) 0.37273(4) 0.47661(2)
P1 P 0.2787(1) 0.40053(15) 0.25557(9)
P2 P 0.17269(11) 0.49961(16) 0.30462(9)
P3 P 0.3507(1) 0.25427(14) 0.51656(9)
P4 P 0.2115(1) 0.38636(15) 0.47875(10)
Cl1 Cl 0.00889(14) 0.8385(2) 0.40158(12)
Cl2 Cl 0.54839(10) 0.41791(14) 0.36581(8)
C1 C 0.2903(4) 0.2698(5) 0.2330(3)
C2 C 0.2301(4) 0.2130(7) 0.1956(4)
H1 H 0.18080 0.24090 0.18180
C3 C 0.2424(5) 0.1162(6) 0.1789(4)
H2 H 0.20140 0.07710 0.15340
C4 C 0.3129(6) 0.0757(6) 0.1983(4)
H3 H 0.32050 0.00760 0.18760
C5 C 0.3721(5) 0.1323(7) 0.2327(4)
H4 H 0.42150 0.10490 0.24470
C6 C 0.3613(4) 0.2290(7) 0.2503(4)
H5 H 0.40320 0.26800 0.27470
C7 C 0.2733(4) 0.4834(6) 0.1944(3)
C8 C 0.2148(5) 0.4802(8) 0.1408(4)
H6 H 0.17570 0.43170 0.13490
C9 C 0.2109(7) 0.5447(10) 0.0958(5)
H7 H 0.16950 0.54170 0.05920
C10 C 0.2669(9) 0.6126(8) 0.1043(6)
H8 H 0.26530 0.65670 0.07290
C11 C 0.3247(8) 0.6195(8) 0.1557(6)
H9 H 0.36210 0.67030 0.16080
C12 C 0.3311(6) 0.5528(6) 0.2026(4)
H10 H 0.37340 0.55530 0.23860
C13 C 0.0722(4) 0.5000(6) 0.2900(4)
C14 C 0.0244(4) 0.4228(7) 0.2591(4)
H11 H 0.04220 0.36870 0.24170
C15 C -0.0511(5) 0.4255(9) 0.2538(5)
H12 H -0.08380 0.37150 0.23350
C16 C -0.0779(5) 0.5013(9) 0.2763(5)
H13 H -0.12960 0.50280 0.27070
C17 C -0.0298(5) 0.5786(9) 0.3081(5)
H14 H -0.04820 0.63280 0.32500
C18 C 0.0443(5) 0.5760(7) 0.3148(4)
H15 H 0.07720 0.62820 0.33720
C19 C 0.1880(4) 0.6201(6) 0.2723(4)
C20 C 0.1393(5) 0.6527(8) 0.2186(5)
H16 H 0.09710 0.61150 0.19690
C21 C 0.1508(6) 0.7449(9) 0.1957(5)
H17 H 0.11470 0.76950 0.15980
C22 C 0.2129(6) 0.8002(8) 0.2239(5)
H18 H 0.22140 0.86240 0.20700
C23 C 0.2650(5) 0.7671(7) 0.2776(5)
H19 H 0.30950 0.80530 0.29730
C24 C 0.2508(4) 0.6778(6) 0.3017(4)
H20 H 0.28480 0.65580 0.33920
C25 C 0.1839(4) 0.3994(6) 0.2560(4)
H21 H 0.17360 0.33140 0.26940
H22 H 0.14720 0.41070 0.21550
C26 C 0.4148(4) 0.1953(5) 0.5838(3)
C27 C 0.4615(5) 0.2601(6) 0.6272(4)
H23 H 0.45790 0.33220 0.62070
C28 C 0.5122(5) 0.2234(7) 0.6786(4)
H24 H 0.54360 0.26960 0.70720
C29 C 0.5179(5) 0.1208(7) 0.6891(4)
H25 H 0.55260 0.09480 0.72530
C30 C 0.4729(6) 0.0550(8) 0.6467(5)
H26 H 0.47750 -0.01690 0.65360
C31 C 0.4210(5) 0.0913(6) 0.5944(4)
H27 H 0.38980 0.04480 0.56580
C32 C 0.2989(4) 0.1537(6) 0.4670(3)
C33 C 0.3040(5) 0.1462(7) 0.4129(4)
H28 H 0.33490 0.19260 0.40210
C34 C 0.2634(6) 0.0701(8) 0.3736(5)
H29 H 0.26640 0.06520 0.33590
C35 C 0.2191(6) 0.0022(7) 0.3894(5)
H30 H 0.19310 -0.05090 0.36310
C36 C 0.2127(5) 0.0106(7) 0.4410(5)
H31 H 0.18040 -0.03460 0.45100
C37 C 0.2530(4) 0.0854(6) 0.4810(4)
H32 H 0.24880 0.08950 0.51840
C38 C 0.1382(4) 0.2907(6) 0.4504(4)
C39 C 0.1170(5) 0.2610(7) 0.3926(5)
H33 H 0.13810 0.29440 0.36790
C40 C 0.0653(6) 0.1826(9) 0.3701(5)
H34 H 0.05090 0.16120 0.33030
C41 C 0.0350(6) 0.1363(9) 0.4074(8)
H35 H -0.00030 0.08220 0.39290
C42 C 0.0552(6) 0.1674(9) 0.4650(7)
H36 H 0.03420 0.13500 0.49010
C43 C 0.1058(5) 0.2455(7) 0.4855(5)
H37 H 0.11880 0.26880 0.52490
C44 C 0.1734(4) 0.4857(6) 0.5113(4)
C45 C 0.0976(5) 0.5125(7) 0.4853(5)
H38 H 0.06450 0.47080 0.45480
C46 C 0.0705(6) 0.5976(9) 0.5030(6)
H39 H 0.01890 0.61490 0.48460
C47 C 0.1173(7) 0.6586(8) 0.5472(6)
H40 H 0.09870 0.71860 0.55930
C48 C 0.1903(6) 0.6316(7) 0.5732(5)
H41 H 0.22230 0.67210 0.60490
C49 C 0.2198(5) 0.5476(7) 0.5554(4)
H42 H 0.27190 0.53240 0.57350
C50 C 0.2835(4) 0.3204(6) 0.5410(3)
H43 H 0.31030 0.37120 0.57180
H44 H 0.25900 0.27000 0.55840
C51 C 0.5958(3) 0.3949(5) 0.5446(3)
C52 C 0.5700(4) 0.2357(5) 0.5028(3)
C53 C 0.6440(4) 0.2199(5) 0.5143(3)
H45 H 0.66090 0.15640 0.50450
C54 C 0.6945(4) 0.2976(5) 0.5404(3)
C55 C 0.7774(4) 0.2862(6) 0.5571(4)
H46 H 0.79880 0.35220 0.55180
H47 H 0.80050 0.26490 0.59830
H48 H 0.78730 0.23420 0.53190
C56 C 0.5122(4) 0.1560(6) 0.4710(4)
H49 H 0.48030 0.14190 0.49350
H50 H 0.48100 0.18160 0.43190
H51 H 0.53750 0.09270 0.46710
N1 N 0.5442(3) 0.3232(4) 0.5168(3)
N2 N 0.3306(3) 0.6125(4) 0.4458(3)
N3 N 0.4264(3) 0.5166(4) 0.4352(2)
H52 H 0.47660 0.52320 0.44010
O1 O -0.0404(4) 0.9172(7) 0.3702(4)
O2 O -0.0419(5) 0.7617(8) 0.4046(4)
O3 O 0.0559(4) 0.8764(6) 0.4576(3)
O4 O 0.0529(4) 0.8060(6) 0.3690(4)
O5 O 0.5829(3) 0.4751(4) 0.4191(2)
O6 O 0.4986(3) 0.3430(5) 0.3741(3)
O7 O 0.6044(3) 0.3694(4) 0.3503(3)
O8 O 0.5043(3) 0.4847(4) 0.3194(3)
Ag1B Ag 0.74703(3) 0.52560(4) 0.59111(3)
Ag2B Ag 0.63509(3) 0.54570(4) 0.65124(2)
Ag3B Ag 0.58776(3) 0.62727(4) 0.52339(2)
P1B P 0.7213(1) 0.59947(15) 0.74443(9)
P2B P 0.82731(11) 0.50039(16) 0.69538(9)
P3B P 0.6493(1) 0.74573(14) 0.48344(9)
P4B P 0.7885(1) 0.61364(15) 0.52125(10)
C1B C 0.7097(4) 0.7302(5) 0.7670(3)
C2B C 0.7699(4) 0.7870(7) 0.8044(4)
H1B H 0.81920 0.75910 0.81820
C3B C 0.7576(5) 0.8838(6) 0.8211(4)
H2B H 0.79860 0.92290 0.84660
C4B C 0.6871(6) 0.9243(6) 0.8017(4)
H3B H 0.67950 0.99240 0.81240
C5B C 0.6279(5) 0.8677(7) 0.7673(4)
H4B H 0.57850 0.89510 0.75530
C6B C 0.6387(4) 0.7710(7) 0.7497(4)
H5B H 0.59680 0.73200 0.72530
C7B C 0.7267(4) 0.5166(6) 0.8056(3)
C8B C 0.7852(5) 0.5198(8) 0.8592(4)
H6B H 0.82430 0.56830 0.86510
C9B C 0.7891(7) 0.4553(10) 0.9042(5)
H7B H 0.83050 0.45830 0.94080
C10B C 0.7331(9) 0.3874(8) 0.8957(6)
H8B H 0.73470 0.34330 0.92710
C11B C 0.6753(8) 0.3805(8) 0.8443(6)
H9B H 0.63790 0.32970 0.83920
C12B C 0.6689(6) 0.4472(6) 0.7974(4)
H10B H 0.62660 0.44470 0.76140
C13B C 0.9278(4) 0.5000(6) 0.7100(4)
C14B C 0.9756(4) 0.5772(7) 0.7409(4)
H11B H 0.95780 0.63130 0.75830
C15B C 1.0511(5) 0.5745(9) 0.7462(5)
H12B H 1.08380 0.62850 0.76650
C16B C 1.0779(5) 0.4987(9) 0.7237(5)
H13B H 1.12960 0.49720 0.72930
C17B C 1.0298(5) 0.4214(9) 0.6919(5)
H14B H 1.04820 0.36720 0.67500
C18B C 0.9557(5) 0.4240(7) 0.6852(4)
H15B H 0.92280 0.37180 0.66280
C19B C 0.8120(4) 0.3799(6) 0.7277(4)
C20B C 0.8607(5) 0.3473(8) 0.7814(5)
H16B H 0.90290 0.38850 0.80310
C21B C 0.8492(6) 0.2551(9) 0.8043(5)
H17B H 0.88530 0.23050 0.84020
C22B C 0.7871(6) 0.1998(8) 0.7761(5)
H18B H 0.77860 0.13760 0.79300
C23B C 0.7350(5) 0.2329(7) 0.7224(5)
H19B H 0.69050 0.19470 0.70270
C24B C 0.7492(4) 0.3222(6) 0.6983(4)
H20B H 0.71520 0.34420 0.66080
C25B C 0.8161(4) 0.6006(6) 0.7440(4)
H21B H 0.82640 0.66860 0.73060
H22B H 0.85280 0.58930 0.78450
C26B C 0.5852(4) 0.8047(5) 0.4162(3)
C27B C 0.5385(5) 0.7399(6) 0.3728(4)
H23B H 0.54210 0.66780 0.37930
C28B C 0.4878(5) 0.7766(7) 0.3214(4)
H24B H 0.45640 0.73040 0.29280
C29B C 0.4821(5) 0.8792(7) 0.3109(4)
H25B H 0.44740 0.90520 0.27470
C30B C 0.5271(6) 0.9450(8) 0.3533(5)
H26B H 0.52250 1.01690 0.34640
C31B C 0.5790(5) 0.9087(6) 0.4056(4)
H27B H 0.61020 0.95520 0.43420
C32B C 0.7011(4) 0.8463(6) 0.5330(3)
C33B C 0.6960(5) 0.8538(7) 0.5871(4)
H28B H 0.66510 0.80740 0.59790
C34B C 0.7366(6) 0.9299(8) 0.6264(5)
H29B H 0.73360 0.93480 0.66410
C35B C 0.7809(6) 0.9978(7) 0.6106(5)
H30B H 0.80690 1.05090 0.63690
C36B C 0.7873(5) 0.9894(7) 0.5590(5)
H31B H 0.81960 1.03460 0.54900
C37B C 0.7470(4) 0.9146(6) 0.5190(4)
H32B H 0.75120 0.91050 0.48160
C38B C 0.8618(4) 0.7093(6) 0.5496(4)
C39B C 0.8830(5) 0.7390(7) 0.6074(5)
H33B H 0.86190 0.70560 0.63210
C40B C 0.9347(6) 0.8174(9) 0.6299(5)
H34B H 0.94910 0.83880 0.66970
C41B C 0.9650(6) 0.8637(9) 0.5926(8)
H35B H 1.00030 0.91780 0.60710
C42B C 0.9448(6) 0.8326(9) 0.5350(7)
H36B H 0.96580 0.86500 0.50990
C43B C 0.8942(5) 0.7545(7) 0.5145(5)
H37B H 0.88120 0.73120 0.47510
C44B C 0.8266(4) 0.5143(6) 0.4887(4)
C45B C 0.9024(5) 0.4875(7) 0.5147(5)
H38B H 0.93550 0.52920 0.54520
C46B C 0.9295(6) 0.4024(9) 0.4970(6)
H39B H 0.98110 0.38510 0.51540
C47B C 0.8827(7) 0.3414(8) 0.4528(6)
H40B H 0.90130 0.28140 0.44070
C48B C 0.8097(6) 0.3684(7) 0.4268(5)
H41B H 0.77770 0.32790 0.39510
C49B C 0.7802(5) 0.4524(7) 0.4446(4)
H42B H 0.72810 0.46760 0.42650
C50B C 0.7165(4) 0.6796(6) 0.4590(3)
H43B H 0.68970 0.62880 0.42820
H44B H 0.74100 0.73000 0.44160
C51B C 0.4042(3) 0.6051(5) 0.4554(3)
C52B C 0.4300(4) 0.7643(5) 0.4972(3)
C53B C 0.3560(4) 0.7801(5) 0.4857(3)
H45B H 0.33910 0.84360 0.49550
C54B C 0.3055(4) 0.7024(5) 0.4596(3)
C55B C 0.2226(4) 0.7138(6) 0.4429(4)
H46B H 0.20120 0.64780 0.44820
H47B H 0.19950 0.73510 0.40170
H48B H 0.21270 0.76580 0.46810
C56B C 0.4878(4) 0.8440(6) 0.5290(4)
H49B H 0.51970 0.85810 0.50650
H50B H 0.51900 0.81840 0.56810
H51B H 0.46250 0.90730 0.53290
N1B N 0.4558(3) 0.6768(4) 0.4832(3)
N2B N 0.6694(3) 0.3875(4) 0.5542(3)
N3B N 0.5736(3) 0.4834(4) 0.5648(2)
H52B H 0.52340 0.47680 0.55990
#END

data_CSD_CIF_VECYIM
_audit_creation_date 2006-05-24
_audit_creation_method CSD-ConQuest-V1
_database_code_CSD VECYIM
_database_code_depnum_ccdc_archive 'CCDC 281177'
_chemical_formula_sum 'C8 H10 Ag2 N6 O4 S1'
_chemical_formula_moiety
;
(C8 H10 Ag2 N6 O4 S1)n
;
_journal_coden_Cambridge 1350
_journal_volume 8
_journal_year 2006
_journal_page_first 84
_journal_name_full 'CrystEngComm '
loop_
_publ_author_name
"Yueh-Hua Wang"
"Kuan-Lun Chu"
"Huan-Ching Chen"
"Chun-Wei Yeh"
"Zhi-Kai Chan"
"Maw-Cherng Suen"
"Jhy-Der Chen"
"Ju-Chun Wang"
_chemical_name_systematic
;
catena-(bis(μ₃-2-Aminopyrimidine-N,N',N'')-(μ₂-sulfato-O,O')-di-silver(i
))
;
_cell_volume   1239.294
_exptl_crystal_colour 'colorless'
_exptl_crystal_density_diffrn 2.691
_exptl_crystal_description 'needle'
_diffrn_ambient_temperature 295
#These two values have been output from a single CSD field.
_refine_ls_R_factor_gt 0.0223
_refine_ls_wR_factor_gt 0.0223
_symmetry_cell_setting monoclinic
_symmetry_space_group_name_H-M 'C 2/c'
_symmetry_Int_Tables_number 15
loop_
_symmetry_equiv_pos_site_id
_symmetry_equiv_pos_as_xyz
1 x,y,z
2 1/2+x,1/2+y,z
3 -x,y,1/2-z
4 1/2-x,1/2+y,1/2-z
5 -x,-y,-z
6 -1/2-x,-1/2-y,-z
7 x,-y,-1/2+z
8 -1/2+x,-1/2-y,-1/2+z
_cell_length_a 13.689(3)
_cell_length_b 8.3977(14)
_cell_length_c 11.3004(14)
_cell_angle_alpha 90
_cell_angle_beta 107.446(13)
_cell_angle_gamma 90
_cell_formula_units_Z 4
loop_
_atom_type_symbol
_atom_type_radius_bond
C 0.68
H 0.23
Ag 1.59
N 0.68
O 0.68
S 1.02
loop_
_atom_site_label
_atom_site_type_symbol
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
Ag1 Ag -0.24247(2) -0.19063(4) -0.30070(2)
S1 S 0.00000 -0.14277(14) -0.25000
O1 O -0.07955(19) -0.2438(4) -0.3327(3)
O2 O -0.0462(2) -0.0411(3) -0.1759(3)
N1 N -0.3054(2) -0.1372(3) -0.1418(3)
N2 N -0.1926(2) 0.0712(4) -0.0653(3)
N3 N -0.3079(2) 0.0024(3) 0.0408(3)
C1 C -0.3841(3) -0.2269(4) -0.1320(3)
C2 C -0.4284(3) -0.2053(4) -0.0385(4)
C3 C -0.3858(3) -0.0886(4) 0.0475(3)
C4 C -0.2707(2) -0.0236(4) -0.0548(3)
H1 H -0.403(3) -0.313(5) -0.187(4)
H2 H -0.480(3) -0.268(5) -0.032(4)
H3 H -0.409(3) -0.069(4) 0.117(4)
H4 H -0.152(3) 0.029(5) -0.094(4)
H5 H -0.163(3) 0.115(6) -0.003(4)
Ag1B Ag 0.24247(2) -0.19063(4) -0.19930(2)
Ag1C Ag -0.25753(2) 0.30937(4) -0.19930(2)
Ag1F Ag -0.24247(2) 0.19063(4) 0.19930(2)
Ag1C* Ag -0.25753(2) -0.69063(4) -0.19930(2)
Ag1E Ag -0.25753(2) -0.30937(4) -0.69930(2)
O1B O 0.07955(19) -0.2438(4) -0.1673(3)
O2B O 0.0462(2) -0.0411(3) -0.3241(3)
N1C N -0.1946(2) -0.6372(3) -0.3582(3)
N1B N 0.3054(2) -0.1372(3) -0.3582(3)
N2C N -0.3074(2) -0.4288(4) -0.4347(3)
N2A N 0.3074(2) -0.4288(4) -0.0653(3)
N3C N -0.1921(2) -0.4976(3) -0.5408(3)
N3F N -0.3079(2) -0.0024(3) -0.4592(3)
N3D N 0.3079(2) -0.0024(3) -0.0408(3)
C1C C -0.1159(3) -0.7269(4) -0.3680(3)
C2C C -0.0716(3) -0.7053(4) -0.4615(4)
C3C C -0.1142(3) -0.5886(4) -0.5475(3)
C4C C -0.2293(2) -0.5236(4) -0.4452(3)
H1C H -0.097(3) -0.813(5) -0.313(4)
H2C H -0.020(3) -0.768(5) -0.468(4)
H3C H -0.091(3) -0.569(4) -0.617(4)
H4C H -0.348(3) -0.471(5) -0.406(4)
H4A H 0.348(3) -0.471(5) -0.094(4)
H5C H -0.337(3) -0.385(6) -0.497(4)
H5A H 0.337(3) -0.385(6) -0.003(4)
#END

data_CSD_CIF_VECYOS
_audit_creation_date 2006-05-24
_audit_creation_method CSD-ConQuest-V1
_database_code_CSD VECYOS
_database_code_depnum_ccdc_archive 'CCDC 281178'
_chemical_formula_sum 'C12 H15 Ag2 Cl2 N9 O8'
_chemical_formula_moiety
;
(C12 H15 Ag2 N9 2+)n,2n(Cl1 O4 1-)
;
_journal_coden_Cambridge 1350
_journal_volume 8
_journal_year 2006
_journal_page_first 84
_journal_name_full 'CrystEngComm '
loop_
_publ_author_name
"Yueh-Hua Wang"
"Kuan-Lun Chu"
"Huan-Ching Chen"
"Chun-Wei Yeh"
"Zhi-Kai Chan"
"Maw-Cherng Suen"
"Jhy-Der Chen"
"Ju-Chun Wang"
_chemical_name_systematic
;
catena-(tris(μ₂-2-Aminopyrimidine-N,N')-di-silver(i) diperchlorate)
;
_cell_volume   1078.876
_exptl_crystal_colour 'colorless'
_exptl_crystal_density_diffrn 2.155
_exptl_crystal_description 'plate'
_diffrn_ambient_temperature 295
#These two values have been output from a single CSD field.
_refine_ls_R_factor_gt 0.0256
_refine_ls_wR_factor_gt 0.0256
_symmetry_cell_setting orthorhombic
_symmetry_space_group_name_H-M 'P 21 21 2'
_symmetry_Int_Tables_number 18
loop_
_symmetry_equiv_pos_site_id
_symmetry_equiv_pos_as_xyz
1 x,y,z
2 -x,-y,z
3 1/2-x,1/2+y,-z
4 1/2+x,1/2-y,-z
_cell_length_a 9.9740(18)
_cell_length_b 11.6687(14)
_cell_length_c 9.2700(18)
_cell_angle_alpha 90
_cell_angle_beta 90
_cell_angle_gamma 90
_cell_formula_units_Z 2
loop_
_atom_type_symbol
_atom_type_radius_bond
C 0.68
H 0.23
Ag 1.59
Cl 0.99
N 0.68
O 0.68
loop_
_atom_site_label
_atom_site_type_symbol
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
Ag1 Ag 0.82573(4) 0.74094(3) 0.94092(5)
N1 N 0.8355(5) 0.9206(3) 0.8644(5)
N2 N 0.8227(5) 0.9890(4) 1.0961(5)
N3 N 0.7933(4) 1.1189(3) 0.9120(5)
N4 N 0.9704(5) 0.5986(4) 0.8451(5)
N5 N 1.00000 0.50000 1.0571(8)
C1 C 0.8183(5) 1.0102(4) 0.9547(6)
C2 C 0.7957(5) 1.1383(5) 0.7702(6)
H1 H 0.78180 1.21270 0.73750
C3 C 0.8177(6) 1.0536(5) 0.6705(6)
H2 H 0.82110 1.06900 0.57210
C4 C 0.8344(6) 0.9451(5) 0.7235(6)
H3 H 0.84560 0.88540 0.65830
C5 C 1.00000 0.50000 0.9124(8)
C6 C 0.9738(7) 0.5966(5) 0.7012(6)
H4 H 0.95750 0.66430 0.65130
C7 C 1.00000 0.50000 0.6246(9)
H5 H 1.00000 0.50000 0.52430
Cl1 Cl 0.53655(13) 0.73138(13) 0.68281(13)
O1 O 0.4473(6) 0.6748(6) 0.5929(7)
O2 O 0.5400(7) 0.8489(5) 0.6503(7)
O3 O 0.4924(5) 0.7227(4) 0.8272(4)
O4 O 0.6692(4) 0.6830(4) 0.6740(5)
H6 H 0.85130 0.92420 1.12790
H7 H 0.81450 1.05050 1.15370
H8 H 1.00370 0.56500 1.11030
Ag1B Ag 0.67427(4) 0.24094(3) 1.05908(5)
Ag1B* Ag 0.67427(4) 1.24094(3) 1.05908(5)
Ag1A Ag 1.17427(4) 0.25906(3) 0.94092(5)
N1B N 0.6645(5) 0.4206(3) 1.1356(5)
N2B N 0.6773(5) 0.4890(4) 0.9039(5)
N3B N 0.7067(4) 0.6189(3) 1.0880(5)
N3* N 0.7933(4) 0.1189(3) 0.9120(5)
N4A N 1.0296(5) 0.4014(4) 0.8451(5)
N4B N 0.5296(5) 0.0986(4) 1.1549(5)
C1B C 0.6817(5) 0.5102(4) 1.0453(6)
C2B C 0.7043(5) 0.6383(5) 1.2298(6)
H1B H 0.71820 0.71270 1.26250
C3B C 0.6823(6) 0.5536(5) 1.3295(6)
H2B H 0.67890 0.56900 1.42790
C4B C 0.6656(6) 0.4451(5) 1.2765(6)
H3B H 0.65440 0.38540 1.34170
C6A C 1.0262(7) 0.4034(5) 0.7012(6)
H4A H 1.04250 0.33570 0.65130
H6B H 0.64870 0.42420 0.87210
H7B H 0.68550 0.55050 0.84630
H8A H 0.99630 0.43500 1.11030
#END

data_CSD_CIF_VECYUY
_audit_creation_date 2006-05-24
_audit_creation_method CSD-ConQuest-V1
_database_code_CSD VECYUY
_database_code_depnum_ccdc_archive 'CCDC 281179'
_chemical_formula_sum 'C6 H12 Ag1 N3 O4'
_chemical_formula_moiety
;
(C6 H8 Ag1 N3 O2)n,2n(H2 O1)
;
_journal_coden_Cambridge 1350
_journal_volume 8
_journal_year 2006
_journal_page_first 84
_journal_name_full 'CrystEngComm '
loop_
_publ_author_name
"Yueh-Hua Wang"
"Kuan-Lun Chu"
"Huan-Ching Chen"
"Chun-Wei Yeh"
"Zhi-Kai Chan"
"Maw-Cherng Suen"
"Jhy-Der Chen"
"Ju-Chun Wang"
_chemical_name_systematic
;
catena-((μ₂-2-Aminopyrimidine-N,N')-(acetato-O)-silver(i) dihydrate)
;
_cell_volume   2014.921
_exptl_crystal_colour 'colorless'
_exptl_crystal_density_diffrn 1.945
_exptl_crystal_description 'plate'
_diffrn_ambient_temperature 295
_refine_special_details
;
The acetate group and a water molecule are disordered by symmetry.

;
#These two values have been output from a single CSD field.
_refine_ls_R_factor_gt 0.0258
_refine_ls_wR_factor_gt 0.0258
_symmetry_cell_setting orthorhombic
_symmetry_space_group_name_H-M 'I b a m'
_symmetry_Int_Tables_number 72
loop_
_symmetry_equiv_pos_site_id
_symmetry_equiv_pos_as_xyz
1 x,y,z
2 1/2+x,1/2+y,1/2+z
3 -x,-y,z
4 1/2-x,1/2+y,-z
5 1/2+x,1/2-y,-z
6 1/2-x,1/2-y,1/2+z
7 -x,y,1/2-z
8 x,-y,1/2-z
9 -x,-y,-z
10 -1/2-x,-1/2-y,-1/2-z
11 x,y,-z
12 -1/2+x,-1/2-y,z
13 -1/2-x,-1/2+y,z
14 -1/2+x,-1/2+y,-1/2-z
15 x,-y,-1/2+z
16 -x,y,-1/2+z
_cell_length_a 25.249(2)
_cell_length_b 6.2859(9)
_cell_length_c 12.6954(13)
_cell_angle_alpha 90
_cell_angle_beta 90
_cell_angle_gamma 90
_cell_formula_units_Z 8
loop_
_atom_type_symbol
_atom_type_radius_bond
C 0.68
H 0.23
Ag 1.35
N 0.68
O 0.68
loop_
_atom_site_label
_atom_site_type_symbol
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
Ag1 Ag 0.252038(15) 0.00000 0.25000
O1 O 0.3344(2) 0.0854(9) 0.2001(4)
O2 O 0.3704(2) 0.0979(10) 0.1698(4)
N1 N 0.21286(10) 0.0704(4) 0.09428(19)
N2 N 0.29084(15) 0.0730(6) 0.00000
C1 C 0.15995(13) 0.0774(5) 0.0916(3)
C2 C 0.13175(19) 0.0846(9) 0.00000
C3 C 0.23822(17) 0.0723(7) 0.00000
C4 C 0.37353(18) 0.00000 0.25000
C5 C 0.4266(3) 0.0321(18) 0.1933(8)
O3 O 0.4677(2) 0.1838(9) 0.0744(5)
O4 O 0.00000 0.00000 0.4299(7)
O5? O -0.0165(6) 0.016(4) 0.2855(9)
H1 H 0.1430(13) 0.084(6) 0.158(3)
H2 H 0.099(2) 0.098(10) 0.00000
H3 H 0.3080(13) 0.080(6) 0.059(3)
Ag1J Ag 0.252038(15) 0.00000 -0.25000
O1G O 0.3344(2) -0.0854(9) 0.2999(4)
O2G O 0.3704(2) -0.0979(10) 0.3302(4)
N1J N 0.21286(10) 0.0704(4) -0.09428(19)
N1G N 0.21286(10) -0.0704(4) 0.40572(19)
C1J C 0.15995(13) 0.0774(5) -0.0916(3)
C5G C 0.4266(3) -0.0321(18) 0.3067(8)
H1J H 0.1430(13) 0.084(6) -0.158(3)
H3J H 0.3080(13) 0.080(6) -0.059(3)
#END

data_CSD_CIF_VECZAF
_audit_creation_date 2006-05-24
_audit_creation_method CSD-ConQuest-V1
_database_code_CSD VECZAF
_database_code_depnum_ccdc_archive 'CCDC 281180'
_chemical_formula_sum 'C12 H18 Ag2 N8 O6'
_chemical_formula_moiety
;
(C12 H18 Ag2 N8 O6)n
;
_journal_coden_Cambridge 1350
_journal_volume 8
_journal_year 2006
_journal_page_first 84
_journal_name_full 'CrystEngComm '
loop_
_publ_author_name
"Yueh-Hua Wang"
"Kuan-Lun Chu"
"Huan-Ching Chen"
"Chun-Wei Yeh"
"Zhi-Kai Chan"
"Maw-Cherng Suen"
"Jhy-Der Chen"
"Ju-Chun Wang"
_chemical_name_systematic
;
catena-(bis(μ₂-2-Amino-4,6-dimethylpyrimidine-N,N')-(μ₂-nitrato-O,O,O')-
(nitrato-O)-di-silver(i))
;
_cell_volume   1866.250
_exptl_crystal_colour 'colorless'
_exptl_crystal_density_diffrn 2.086
_exptl_crystal_description 'block'
_diffrn_ambient_temperature 295
#These two values have been output from a single CSD field.
_refine_ls_R_factor_gt 0.0304
_refine_ls_wR_factor_gt 0.0304
_symmetry_cell_setting monoclinic
_symmetry_space_group_name_H-M 'P 21/c'
_symmetry_Int_Tables_number 14
loop_
_symmetry_equiv_pos_site_id
_symmetry_equiv_pos_as_xyz
1 x,y,z
2 -x,1/2+y,1/2-z
3 -x,-y,-z
4 x,-1/2-y,-1/2+z
_cell_length_a 7.9107(10)
_cell_length_b 19.287(2)
_cell_length_c 12.2767(7)
_cell_angle_alpha 90
_cell_angle_beta 94.902(8)
_cell_angle_gamma 90
_cell_formula_units_Z 4
loop_
_atom_type_symbol
_atom_type_radius_bond
C 0.68
H 0.23
Ag 1.64
N 0.68
O 0.68
loop_
_atom_site_label
_atom_site_type_symbol
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
Ag1 Ag 0.29901(5) 0.419956(15) 0.50449(3)
Ag2 Ag 0.29078(5) 0.659450(17) 0.81365(3)
O1 O 0.1401(5) 0.7584(2) 0.4907(3)
O2 O 0.2058(6) 0.83460(17) 0.6127(3)
O3 O 0.2988(5) 0.73114(16) 0.6358(3)
O4 O 0.4896(6) 0.5286(2) 0.2360(3)
O5 O 0.3671(6) 0.4393(2) 0.2941(4)
O6 O 0.4121(5) 0.5276(2) 0.3956(3)
N1 N 0.1402(4) 0.47861(15) 0.6207(2)
N2 N 0.2571(5) 0.58404(16) 0.5790(3)
H1 H 0.28610 0.56340 0.51890
H2 H 0.25350 0.62940 0.58640
N3 N 0.1308(4) 0.57611(15) 0.7407(2)
N4 N 0.3580(4) 0.30445(15) 0.5053(2)
N5 N 0.5288(5) 0.31205(17) 0.6664(3)
H3 H 0.51610 0.35680 0.65870
H4 H 0.59360 0.29150 0.72310
N6 N 0.4980(4) 0.20469(15) 0.5845(2)
N7 N 0.2103(5) 0.77480(16) 0.5796(3)
N8 N 0.4219(5) 0.49816(18) 0.3057(3)
C1 C 0.1749(5) 0.54548(18) 0.6476(3)
C2 C 0.0325(5) 0.53961(19) 0.8035(3)
C3 C -0.0254(7) 0.5760(2) 0.9015(4)
H5 H -0.09550 0.54750 0.93280
H6 H -0.08290 0.61820 0.87980
H7 H 0.07030 0.58710 0.95180
C4 C -0.0148(5) 0.4723(2) 0.7771(3)
H8 H -0.08640 0.44770 0.81940
C5 C 0.0470(5) 0.44246(19) 0.6866(3)
C6 C 0.0113(6) 0.3681(2) 0.6579(4)
H9 H -0.06430 0.35000 0.70640
H10 H -0.04130 0.36110 0.59180
H11 H 0.11780 0.34310 0.65790
C7 C 0.4618(5) 0.27363(18) 0.5837(3)
C8 C 0.2819(5) 0.26387(19) 0.4261(3)
C9 C 0.1696(7) 0.2983(2) 0.3388(4)
H12 H 0.09310 0.33090 0.37940
H13 H 0.09920 0.26340 0.29620
H14 H 0.23600 0.32450 0.29130
C10 C 0.3104(6) 0.19344(19) 0.4259(3)
H15 H 0.25470 0.16550 0.37250
C11 C 0.4215(5) 0.16509(18) 0.5051(3)
C12 C 0.4641(6) 0.08934(19) 0.5057(4)
H16 H 0.44390 0.06830 0.58250
H17 H 0.40050 0.06140 0.45850
H18 H 0.58150 0.08390 0.49330
Ag1B Ag 0.70099(5) 0.580044(15) 0.49551(3)
Ag2A Ag 0.70922(5) 0.159450(17) 0.68635(3)
O6B O 0.5879(5) 0.4724(2) 0.6044(3)
N6A N 0.5020(4) 0.70469(15) 0.9155(2)
#END

data_CSD_CIF_VECZEJ
_audit_creation_date 2006-05-24
_audit_creation_method CSD-ConQuest-V1
_database_code_CSD VECZEJ
_database_code_depnum_ccdc_archive 'CCDC 281181'
_chemical_formula_sum 'C6 H11 Ag1 Cl1 N3 O5'
_chemical_formula_moiety
;
(C6 H11 Ag1 N3 O1 1+)n,n(Cl1 O4 1-)
;
_journal_coden_Cambridge 1350
_journal_volume 8
_journal_year 2006
_journal_page_first 84
_journal_name_full 'CrystEngComm '
loop_
_publ_author_name
"Yueh-Hua Wang"
"Kuan-Lun Chu"
"Huan-Ching Chen"
"Chun-Wei Yeh"
"Zhi-Kai Chan"
"Maw-Cherng Suen"
"Jhy-Der Chen"
"Ju-Chun Wang"
_chemical_name_systematic
;
catena-((μ₂-2-Amino-4,6-dimethylpyrimidine-N,N')-aqua-silver(i) 
perchlorate)
;
_cell_volume   1195.161
_exptl_crystal_colour 'colorless'
_exptl_crystal_density_diffrn 1.937
_exptl_crystal_description 'plate'
_diffrn_ambient_temperature 295
_refine_special_details
;
The perchlorate anion is disordered equally over two sites.

;
#These two values have been output from a single CSD field.
_refine_ls_R_factor_gt 0.0375
_refine_ls_wR_factor_gt 0.0375
_symmetry_cell_setting monoclinic
_symmetry_space_group_name_H-M 'P 21/n'
_symmetry_Int_Tables_number 14
loop_
_symmetry_equiv_pos_site_id
_symmetry_equiv_pos_as_xyz
1 x,y,z
2 1/2-x,1/2+y,1/2-z
3 -x,-y,-z
4 -1/2+x,-1/2-y,-1/2+z
_cell_length_a 7.6708(6)
_cell_length_b 14.3064(17)
_cell_length_c 11.1349(7)
_cell_angle_alpha 90
_cell_angle_beta 102.022(6)
_cell_angle_gamma 90
_cell_formula_units_Z 4
loop_
_atom_type_symbol
_atom_type_radius_bond
C 0.68
H 0.23
Ag 1.58
Cl 0.99
N 0.68
O 0.68
loop_
_atom_site_label
_atom_site_type_symbol
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
Ag1 Ag 0.05732(6) 0.78002(3) 0.13041(3)
N1 N 0.2521(5) 0.8380(2) 0.2830(3)
N2 N 0.2053(6) 0.7189(3) 0.4112(4)
H1 H 0.09950 0.72040 0.37100
H2 H 0.22720 0.68700 0.47820
N3 N 0.4603(5) 0.8065(3) 0.4697(3)
C1 C 0.3067(6) 0.7895(3) 0.3882(4)
C2 C 0.5611(6) 0.8779(3) 0.4462(4)
C3 C 0.7368(7) 0.8929(4) 0.5322(5)
H3 H 0.72060 0.89140 0.61540
H4 H 0.78440 0.95260 0.51600
H5 H 0.81810 0.84440 0.52050
C4 C 0.5059(6) 0.9335(3) 0.3448(4)
H6 H 0.57230 0.98540 0.33180
C5 C 0.3512(6) 0.9113(3) 0.2628(4)
C6 C 0.2869(9) 0.9663(4) 0.1484(5)
H7 H 0.15910 0.96910 0.13140
H8 H 0.32550 0.93660 0.08110
H9 H 0.33470 1.02840 0.15910
Cl1 Cl 0.69504(18) 0.64977(10) 0.26805(15)
O1 O 0.5838(8) 0.7247(4) 0.2220(6)
O2 O 0.8674(6) 0.6487(6) 0.2447(10)
O3 O 0.760(4) 0.642(2) 0.3948(5)
O4 O 0.6151(15) 0.5624(4) 0.240(2)
O5? O 0.704(3) 0.6128(11) 0.1532(6)
O6? O 0.810(2) 0.7064(16) 0.352(2)
O7? O 0.588(2) 0.6024(13) 0.3357(16)
O8 O -0.2151(6) 0.8879(3) 0.1421(4)
H10 H -0.22220 0.95220 0.16190
H11 H -0.27870 0.84060 0.17490
Ag1C Ag 0.55732(6) 0.71998(3) 0.63041(3)
N3C N -0.0397(5) 0.6935(3) -0.0303(3)
#END

data_CSD_CIF_VECZIN
_audit_creation_date 2006-05-24
_audit_creation_method CSD-ConQuest-V1
_database_code_CSD VECZIN
_database_code_depnum_ccdc_archive 'CCDC 281182'
_chemical_formula_sum 'C12 H26 Ag4 N6 O12 S2'
_chemical_formula_moiety
;
(C12 H26 Ag4 N6 O12 S2)n
;
_journal_coden_Cambridge 1350
_journal_volume 8
_journal_year 2006
_journal_page_first 84
_journal_name_full 'CrystEngComm '
loop_
_publ_author_name
"Yueh-Hua Wang"
"Kuan-Lun Chu"
"Huan-Ching Chen"
"Chun-Wei Yeh"
"Zhi-Kai Chan"
"Maw-Cherng Suen"
"Jhy-Der Chen"
"Ju-Chun Wang"
_chemical_name_systematic
;
catena-((μ₄-Sulfato-O,O,O',O'')-(μ₃-sulfato-O,O,O')-bis(μ₂-2-amino-4,
6-dimethylpyrimidine-N,N')-tetra-aqua-tetra-silver(i))
;
_cell_volume   2485.090
_exptl_crystal_colour 'colorless'
_exptl_crystal_density_diffrn 2.518
_exptl_special_details
;
The space group is P21/c as given in the cif, not P21/n as given in the paper

;
_exptl_crystal_description 'plate'
_diffrn_ambient_temperature 295
#These two values have been output from a single CSD field.
_refine_ls_R_factor_gt 0.0549
_refine_ls_wR_factor_gt 0.0549
_symmetry_cell_setting monoclinic
_symmetry_space_group_name_H-M 'P 21/c'
_symmetry_Int_Tables_number 14
loop_
_symmetry_equiv_pos_site_id
_symmetry_equiv_pos_as_xyz
1 x,y,z
2 -x,1/2+y,1/2-z
3 -x,-y,-z
4 x,-1/2-y,-1/2+z
_cell_length_a 10.727(2)
_cell_length_b 17.216(2)
_cell_length_c 13.462(3)
_cell_angle_alpha 90
_cell_angle_beta 91.64(2)
_cell_angle_gamma 90
_cell_formula_units_Z 4
loop_
_atom_type_symbol
_atom_type_radius_bond
C 0.68
H 0.23
Ag 1.43
N 0.68
O 0.72
S 1.02
loop_
_atom_site_label
_atom_site_type_symbol
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
Ag1 Ag 1.19416(8) -0.10051(5) 1.3054(1)
Ag2 Ag 0.85497(7) 0.03937(4) 1.13075(7)
Ag3 Ag 1.05425(8) -0.12648(5) 1.07389(7)
Ag4 Ag 1.58650(8) -0.28875(5) 1.12366(8)
S1 S 0.8692(2) -0.09923(14) 1.30212(19)
S2 S 0.8354(2) -0.05654(13) 0.90877(19)
O1 O 0.9781(6) -0.1307(4) 1.2481(6)
O2 O 0.7813(7) -0.0624(4) 1.2299(6)
O3 O 0.9121(7) -0.0429(4) 1.3770(6)
O4 O 0.8054(7) -0.1640(4) 1.3499(6)
O5 O 1.1354(7) 0.0203(4) 1.3511(6)
O6 O 0.7905(7) 0.0228(4) 0.8862(7)
O7 O 0.8911(7) -0.0578(4) 1.0091(5)
O8 O 0.7333(6) -0.1128(4) 0.9037(6)
O9 O 0.9307(6) -0.0787(4) 0.8366(5)
O10 O 1.6383(7) -0.1480(4) 1.0918(6)
O11 O 1.6963(7) -0.3850(5) 1.0258(6)
O12 O 1.7496(7) -0.2909(4) 1.2375(6)
N1 N 1.2794(7) -0.2157(4) 1.3286(6)
N2 N 1.0854(7) -0.2754(5) 1.3199(6)
H1 H 1.04400 -0.23350 1.31540
H2 H 1.03580 -0.31920 1.31090
N3 N 1.2586(7) -0.3531(4) 1.3508(5)
N4 N 1.1810(7) -0.2308(4) 1.0763(6)
N5 N 1.3621(7) -0.1601(4) 1.0955(6)
H3 H 1.31800 -0.12310 1.06250
H4 H 1.43810 -0.16550 1.07820
N6 N 1.3793(7) -0.2938(4) 1.0975(6)
C1 C 1.4014(9) -0.2208(6) 1.3408(7)
C2 C 1.4774(9) -0.1476(6) 1.3371(8)
H5 H 1.42980 -0.10770 1.30360
H6 H 1.55230 -0.15730 1.30180
H7 H 1.49860 -0.13100 1.40350
C3 C 1.4573(9) -0.2931(6) 1.3574(7)
H8 H 1.54360 -0.29740 1.36400
C4 C 1.3835(9) -0.3578(6) 1.3639(8)
C5 C 1.4361(10) -0.4374(6) 1.3832(10)
H9 H 1.41350 -0.47110 1.32880
H10 H 1.40320 -0.45770 1.44340
H11 H 1.52540 -0.43420 1.38970
C6 C 1.2090(9) -0.2814(5) 1.3333(7)
C7 C 1.125(1) -0.3005(6) 1.0681(8)
C8 C 0.9845(10) -0.3011(7) 1.0569(10)
H12 H 0.95900 -0.26760 1.00310
H13 H 0.95640 -0.35300 1.04330
H14 H 0.94890 -0.28300 1.11730
C9 C 1.1942(10) -0.3679(6) 1.0728(8)
H15 H 1.15590 -0.41590 1.06400
C10 C 1.3202(10) -0.3630(6) 1.0905(8)
C11 C 1.3967(12) -0.4351(6) 1.0997(10)
H16 H 1.46600 -0.42610 1.14490
H17 H 1.34630 -0.47650 1.12450
H18 H 1.42690 -0.44910 1.03570
C12 C 1.3059(8) -0.2295(5) 1.0895(7)
Ag2B Ag 1.14503(7) -0.03937(4) 0.86925(7)
Ag2A Ag 1.14503(7) -0.46063(4) 1.36925(7)
Ag3B Ag 0.94575(8) 0.12648(5) 0.92611(7)
O6B O 1.2095(7) -0.0228(4) 1.1138(7)
O9B O 1.0693(6) 0.0787(4) 1.1634(5)
N3A N 0.7414(7) 0.1469(4) 1.1492(5)
#END

data_CSD_CIF_WUXJEF
_audit_creation_date 2010-11-04
_audit_creation_method CSD-ConQuest-V1
_database_code_CSD WUXJEF
_database_code_depnum_ccdc_archive 'CCDC 742809'
_chemical_formula_sum 'C22 H24 Ag2 N6 O6'
_chemical_formula_moiety
;
(C22 H20 Ag2 N6 O4)n,2n(H2 O1)
;
_journal_coden_Cambridge 36
_journal_volume 695
_journal_year 2010
_journal_page_first 1598
_journal_name_full 'J.Organomet.Chem. '
loop_
_publ_author_name
"Di Sun"
"Na Zhang"
"Qin-Juan Xu"
"Rong-Bin Huang"
"Lan-Sun Zheng"
_chemical_name_systematic
;
catena-[(μ₄-Naphthalene-2,6-dicarboxylato)-bis(2-amino-4-methylpyrimidine)-
di-silver(i) dihydrate]
;
_cell_volume    563.328
_exptl_crystal_colour 'colorless'
_exptl_crystal_density_diffrn 2.017
_exptl_crystal_description 'block'
_diffrn_ambient_temperature 173
#These two values have been output from a single CSD field.
_refine_ls_R_factor_gt 0.0391
_refine_ls_wR_factor_gt 0.0391
_symmetry_cell_setting triclinic
_symmetry_space_group_name_H-M 'P -1'
_symmetry_Int_Tables_number 2
loop_
_symmetry_equiv_pos_site_id
_symmetry_equiv_pos_as_xyz
1 x,y,z
2 -x,-y,-z
_cell_length_a 6.959(4)
_cell_length_b 8.524(5)
_cell_length_c 11.012(7)
_cell_angle_alpha 68.269(10)
_cell_angle_beta 76.299(10)
_cell_angle_gamma 69.283(10)
_cell_formula_units_Z 1
loop_
_atom_type_symbol
_atom_type_radius_bond
C 0.68
H 0.23
Ag 1.20
N 0.73
O 0.68
loop_
_atom_site_label
_atom_site_type_symbol
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
Ag1 Ag 1.49383(5) -0.06302(5) 0.39975(4)
C1 C 1.6045(8) -0.2274(6) 0.1539(5)
C2 C 1.2664(8) -0.0786(6) 0.1933(5)
H1 H 1.15900 -0.00830 0.23930
C3 C 1.2177(8) -0.1249(7) 0.1010(5)
H2 H 1.07790 -0.09340 0.08630
C4 C 1.3747(9) -0.2178(7) 0.0301(5)
C5 C 1.3375(10) -0.2609(8) -0.0805(6)
H3 H 1.43650 -0.37420 -0.08540
H4 H 1.35560 -0.16780 -0.16360
H5 H 1.19620 -0.26880 -0.06520
C6 C 1.0879(7) 0.1984(6) 0.4907(5)
C7 C 0.8632(8) 0.3021(6) 0.4814(5)
C8 C 0.7536(8) 0.2762(7) 0.3984(5)
H6 H 0.82350 0.19640 0.34950
C9 C 0.5499(8) 0.3659(7) 0.3899(5)
H7 H 0.47680 0.34660 0.33660
C10 C 0.4476(8) 0.4862(6) 0.4590(5)
C11 C 0.7655(8) 0.4161(7) 0.5496(5)
H8 H 0.83930 0.43200 0.60440
N1 N 1.4593(6) -0.1286(5) 0.2213(4)
N2 N 1.7974(7) -0.2856(6) 0.1846(4)
H9 H 1.82480 -0.25850 0.24710
H10 H 1.89710 -0.35100 0.14240
N3 N 1.5721(7) -0.2714(5) 0.0567(4)
O1 O 1.1859(5) 0.1468(5) 0.3933(3)
O2 O 1.8868(7) -0.4066(5) -0.1389(4)
H11 H 1.85400 -0.32040 -0.20820
H12 H 1.80740 -0.38600 -0.07140
O3 O 1.1631(5) 0.1672(5) 0.5930(3)
Ag1A Ag -0.49383(5) 1.06302(5) 0.60025(4)
Ag1A* Ag 1.50617(5) 0.06302(5) 0.60025(4)
Ag1* Ag -0.50617(5) 0.93698(5) 0.39975(4)
C1A C -0.6045(8) 1.2274(6) 0.8461(5)
C2A C -0.2664(8) 1.0786(6) 0.8067(5)
H1A H -0.15900 1.00830 0.76070
C3A C -0.2177(8) 1.1249(7) 0.8990(5)
H2A H -0.07790 1.09340 0.91370
C4A C -0.3747(9) 1.2178(7) 0.9699(5)
C5A C -0.3375(10) 1.2609(8) 1.0805(6)
H3A H -0.43650 1.37420 1.08540
H4A H -0.35560 1.16780 1.16360
H5A H -0.19620 1.26880 1.06520
C6A C -0.0879(7) 0.8016(6) 0.5093(5)
C7A C 0.1368(8) 0.6979(6) 0.5186(5)
C8A C 0.2464(8) 0.7238(7) 0.6016(5)
H6A H 0.17650 0.80360 0.65050
C9A C 0.4501(8) 0.6341(7) 0.6101(5)
H7A H 0.52320 0.65340 0.66340
C10A C 0.5524(8) 0.5138(6) 0.5410(5)
C11A C 0.2345(8) 0.5839(7) 0.4504(5)
H8A H 0.16070 0.56800 0.39560
N1A N -0.4593(6) 1.1286(5) 0.7787(4)
N2A N -0.7974(7) 1.2856(6) 0.8154(4)
H9A H -0.82480 1.25850 0.75290
H10A H -0.89710 1.35100 0.85760
N3A N -0.5721(7) 1.2714(5) 0.9433(4)
O1A O -0.1859(5) 0.8532(5) 0.6067(3)
O3A O -0.1631(5) 0.8328(5) 0.4070(3)
O3A* O 1.8369(5) -0.1672(5) 0.4070(3)
O3* O -0.8369(5) 1.1672(5) 0.5930(3)
#END

data_CSD_CIF_XULXAD
_audit_creation_date 2003-02-25
_audit_creation_method CSD-ConQuest-V1
_database_code_CSD XULXAD
_database_code_depnum_ccdc_archive 'CCDC 201100'
_database_code_depnum_ccdc_journal 1267/839
_chemical_formula_sum 'C40 H35 Ag2 Br2 N3 P2'
_chemical_formula_moiety
;
(C40 H35 Ag2 Br2 N3 P2)n
;
_journal_coden_Cambridge 1267
_journal_volume 217
_journal_year 2002
_journal_page_first 341
_journal_name_full 'Z.Kristallogr.-New Cryst.Struct. '
loop_
_publ_author_name
"Q.-H.Jin"
"H.-G.Zheng"
"X.-L.Xin"
"X.-Y.Ci"
"K.-B.Yu"
_chemical_name_systematic
;
catena-((μ₂-2-Aminopyrimidine)-bis(μ₂-bromo)-bis(triphenylphosphine)-di-
silver(i))
;
_cell_volume   3906.323
_exptl_crystal_colour 'white'
_exptl_crystal_density_diffrn 1.692
_exptl_crystal_description 'prism'
_diffrn_ambient_temperature 295
#These two values have been output from a single CSD field.
_refine_ls_R_factor_gt 0.0324
_refine_ls_wR_factor_gt 0.0324
_symmetry_cell_setting monoclinic
_symmetry_space_group_name_H-M 'C 2/c'
_symmetry_Int_Tables_number 15
loop_
_symmetry_equiv_pos_site_id
_symmetry_equiv_pos_as_xyz
1 x,y,z
2 1/2+x,1/2+y,z
3 x,-y,1/2+z
4 1/2+x,1/2-y,1/2+z
5 -x,-y,-z
6 -1/2-x,-1/2-y,-z
7 -x,y,-1/2-z
8 -1/2-x,-1/2+y,-1/2-z
_cell_length_a 16.988(2)
_cell_length_b 17.020(2)
_cell_length_c 15.528(2)
_cell_angle_alpha 90
_cell_angle_beta 119.534(7)
_cell_angle_gamma 90
_cell_formula_units_Z 4
loop_
_atom_type_symbol
_atom_type_radius_bond
C 0.68
H 0.23
Ag 1.39
Br 1.21
N 0.68
P 1.05
loop_
_atom_site_label
_atom_site_type_symbol
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
Ag1 Ag 0.08872(2) -0.02134(2) 0.10185(2)
Br1 Br 0.01402(3) -0.12097(2) -0.04858(3)
P1 P 0.24450(6) 0.02111(6) 0.18719(7)
N1 N -0.0200(2) -0.0852(2) 0.3137(2)
N2 N 0.00000 0.0289(3) 0.25000
H1 H 0.01250 0.05420 0.21030
H2 H -0.01250 0.05420 0.28970
C1 C -0.0175(3) -0.1630(3) 0.3137(3)
H3 H -0.02820 -0.19040 0.35880
C2 C 0.00000 -0.2044(4) 0.25000
H4 H 0.00000 -0.25910 0.25000
C3 C 0.00000 -0.0485(3) 0.25000
C4 C 0.2697(2) 0.0889(2) 0.2888(3)
C5 C 0.2340(3) 0.0704(3) 0.3499(3)
H5 H 0.19720 0.02640 0.33620
C6 C 0.2528(3) 0.1168(3) 0.4309(3)
H6 H 0.22880 0.10380 0.47140
C7 C 0.3067(3) 0.1817(3) 0.4516(3)
H7 H 0.31910 0.21300 0.50590
C8 C 0.3419(3) 0.2001(3) 0.3927(3)
H8 H 0.37940 0.24370 0.40780
C9 C 0.3229(3) 0.1551(2) 0.3102(3)
H9 H 0.34610 0.16950 0.26930
C10 C 0.3289(2) -0.0556(2) 0.2476(3)
C11 C 0.3094(3) -0.1309(2) 0.2112(3)
H10 H 0.25310 -0.14210 0.15690
C12 C 0.3721(3) -0.1900(3) 0.2541(4)
H11 H 0.35800 -0.24070 0.22860
C13 C 0.4557(3) -0.1746(3) 0.3349(4)
H12 H 0.49800 -0.21470 0.36320
C14 C 0.4760(3) -0.1012(3) 0.3727(3)
H13 H 0.53220 -0.09070 0.42750
C15 C 0.4128(3) -0.0414(3) 0.3295(3)
H14 H 0.42700 0.00900 0.35600
C16 C 0.2795(3) 0.0713(2) 0.1079(3)
C17 C 0.2144(3) 0.1117(3) 0.0266(3)
H15 H 0.15500 0.11320 0.01440
C18 C 0.2371(4) 0.1497(4) -0.0362(4)
H16 H 0.19290 0.17740 -0.08990
C19 C 0.3228(4) 0.1477(3) -0.0214(4)
H17 H 0.33690 0.17320 -0.06500
C20 C 0.3872(3) 0.1083(3) 0.0573(4)
H18 H 0.44620 0.10700 0.06850
C21 C 0.3655(3) 0.0700(3) 0.1213(3)
H19 H 0.41040 0.04260 0.17480
C1F C 0.0175(3) -0.1630(3) 0.1863(3)
N1F N 0.0200(2) -0.0852(2) 0.1863(2)
Ag1F Ag -0.08872(2) -0.02134(2) 0.39815(2)
Ag1D Ag -0.08872(2) 0.02134(2) -0.10185(2)
Br1D Br -0.01402(3) 0.12097(2) 0.04858(3)
P1D P -0.24450(6) -0.02111(6) -0.18719(7)
C4D C -0.2697(2) -0.0889(2) -0.2888(3)
C5D C -0.2340(3) -0.0704(3) -0.3499(3)
H5D H -0.19720 -0.02640 -0.33620
C6D C -0.2528(3) -0.1168(3) -0.4309(3)
H6D H -0.22880 -0.10380 -0.47140
C7D C -0.3067(3) -0.1817(3) -0.4516(3)
H7D H -0.31910 -0.21300 -0.50590
C8D C -0.3419(3) -0.2001(3) -0.3927(3)
H8D H -0.37940 -0.24370 -0.40780
C9D C -0.3229(3) -0.1551(2) -0.3102(3)
H9D H -0.34610 -0.16950 -0.26930
C10D C -0.3289(2) 0.0556(2) -0.2476(3)
C11D C -0.3094(3) 0.1309(2) -0.2112(3)
H10D H -0.25310 0.14210 -0.15690
C12D C -0.3721(3) 0.1900(3) -0.2541(4)
H11D H -0.35800 0.24070 -0.22860
C13D C -0.4557(3) 0.1746(3) -0.3349(4)
H12D H -0.49800 0.21470 -0.36320
C14D C -0.4760(3) 0.1012(3) -0.3727(3)
H13D H -0.53220 0.09070 -0.42750
C15D C -0.4128(3) 0.0414(3) -0.3295(3)
H14D H -0.42700 -0.00900 -0.35600
C16D C -0.2795(3) -0.0713(2) -0.1079(3)
C17D C -0.2144(3) -0.1117(3) -0.0266(3)
H15D H -0.15500 -0.11320 -0.01440
C18D C -0.2371(4) -0.1497(4) 0.0362(4)
H16D H -0.19290 -0.17740 0.08990
C19D C -0.3228(4) -0.1477(3) 0.0214(4)
H17D H -0.33690 -0.17320 0.06500
C20D C -0.3872(3) -0.1083(3) -0.0573(4)
H18D H -0.44620 -0.10700 -0.06850
C21D C -0.3655(3) -0.0700(3) -0.1213(3)
H19D H -0.41040 -0.04260 -0.17480
N1B N -0.0200(2) 0.0852(2) -0.1863(2)
H3F H 0.02820 -0.19040 0.14120
#END

data_CSD_CIF_YOKPIY
_audit_creation_date 2009-02-13
_audit_creation_method CSD-ConQuest-V1
_database_code_CSD YOKPIY
_database_code_depnum_ccdc_archive 'CCDC 652464'
_chemical_formula_sum 'C16 H18 Ag2 F6 N6 O4'
_chemical_formula_moiety
;
(C16 H18 Ag2 F6 N6 O4)n
;
_journal_coden_Cambridge 580
_journal_volume 27
_journal_year 2008
_journal_page_first 2791
_journal_name_full 'Polyhedron '
loop_
_publ_author_name
"Geng-Geng Luo"
"Rong-Bin Huang"
"Jian-Hua Chen"
"Li-Rong Lin"
"Lan-Sun Zheng"
_chemical_name_systematic
;
catena-(bis(μ₂-2-Amino-4,6-dimethylpyrimidine-N,N')-(μ₂-trifluoroacetato
-O,O)-(μ₂-trifluoroacetato-O,O')-di-silver(i))
;
_cell_volume   1114.422
_exptl_crystal_density_diffrn 2.045
_exptl_special_details
;
luminescent

;
_diffrn_ambient_temperature 298
#These two values have been output from a single CSD field.
_refine_ls_R_factor_gt 0.0537
_refine_ls_wR_factor_gt 0.0537
_symmetry_cell_setting triclinic
_symmetry_space_group_name_H-M 'P -1'
_symmetry_Int_Tables_number 2
loop_
_symmetry_equiv_pos_site_id
_symmetry_equiv_pos_as_xyz
1 x,y,z
2 -x,-y,-z
_cell_length_a 10.862(3)
_cell_length_b 11.119(3)
_cell_length_c 11.559(3)
_cell_angle_alpha 116.979(5)
_cell_angle_beta 106.079(5)
_cell_angle_gamma 100.616(5)
_cell_formula_units_Z 2
loop_
_atom_type_symbol
_atom_type_radius_bond
C 0.68
H 0.23
Ag 1.61
F 0.64
N 0.68
O 0.68
loop_
_atom_site_label
_atom_site_type_symbol
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
Ag1 Ag 0.31419(5) 0.20498(5) 0.29722(5)
Ag2 Ag 0.91473(4) 0.58227(5) 0.75616(5)
F1 F -0.1381(12) 0.0499(10) 0.3032(17)
F2 F -0.1414(10) 0.2412(12) 0.4170(16)
F3 F -0.0279(15) 0.161(2) 0.499(2)
F4 F 0.1858(7) 0.3400(12) -0.0532(9)
F5 F 0.3779(10) 0.4834(10) 0.0435(9)
F6 F 0.3438(10) 0.2738(10) -0.0896(7)
C1 C 0.1962(8) -0.4422(8) -0.2334(8)
H1 H 0.13850 -0.45090 -0.31860
H2 H 0.14960 -0.51620 -0.22270
H3 H 0.28030 -0.45290 -0.23960
C2 C 0.2273(6) -0.2987(7) -0.1092(6)
C3 C 0.3581(6) -0.2051(7) -0.0188(7)
C4 C 0.3772(6) -0.0737(6) 0.0923(6)
C5 C 0.5184(6) 0.0341(8) 0.1931(8)
H4 H 0.53130 0.06220 0.28860
H5 H 0.53070 0.11770 0.18570
H6 H 0.58440 -0.00810 0.17000
C6 C 0.1474(5) -0.1377(6) 0.0248(6)
C7 C 0.3384(9) 0.1147(12) 0.5240(12)
H7 H 0.28400 0.07580 0.42530
H8 H 0.29690 0.17070 0.58110
H9 H 0.34320 0.03680 0.53830
C8 C 0.4797(7) 0.2090(8) 0.5661(8)
C9 C 0.5891(9) 0.2226(11) 0.6673(10)
C10 C 0.8420(9) 0.3357(12) 0.8142(11)
H10 H 0.81910 0.27430 0.84850
H11 H 0.90480 0.31010 0.77160
H12 H 0.88400 0.43480 0.89230
C11 C 0.7142(7) 0.3169(8) 0.7058(7)
C12 C 0.6170(5) 0.3688(6) 0.5438(6)
C13 C 0.3098(8) 0.3535(11) 0.0055(10)
C14 C 0.3396(6) 0.3317(7) 0.1261(7)
C15 C -0.0665(13) 0.1695(11) 0.3923(15)
C16 C 0.0540(6) 0.2346(7) 0.3742(6)
N1 N 0.0438(5) -0.1074(5) 0.0507(6)
H13 H 0.05790 -0.02600 0.12390
H14 H -0.03870 -0.16880 -0.00540
N2 N 0.2734(4) -0.0394(5) 0.1146(5)
N3 N 0.4921(5) 0.2777(5) 0.5001(5)
N4 N 0.7287(5) 0.3932(5) 0.6483(5)
N5 N 0.6313(5) 0.4377(5) 0.4796(5)
H15 H 0.56120 0.42370 0.41120
H16 H 0.71090 0.49720 0.50560
N6 N 0.1204(4) -0.2658(5) -0.0899(4)
O1 O 0.0941(5) 0.1507(6) 0.3028(6)
O2 O 0.0928(5) 0.3651(5) 0.4324(5)
O3 O 0.2392(4) 0.2760(5) 0.1371(5)
O4 O 0.4591(5) 0.3712(8) 0.2020(6)
Ag2* Ag -0.08527(4) -0.41773(5) -0.24384(5)
Ag2A Ag 0.08527(4) 0.41773(5) 0.24384(5)
N6* N 1.1204(4) 0.7342(5) 0.9101(4)
O2A O 0.9072(5) 0.6349(5) 0.5676(5)
O3A O 0.7608(4) 0.7240(5) 0.8629(5)
#END

data_CSD_CIF_YOKPOE
_audit_creation_date 2009-02-13
_audit_creation_method CSD-ConQuest-V1
_database_code_CSD YOKPOE
_database_code_depnum_ccdc_archive 'CCDC 668535'
_chemical_formula_sum 'C7 H11 Ag1 F3 N3 O4 S1'
_chemical_formula_moiety
;
(C7 H11 Ag1 F3 N3 O4 S1)n
;
_journal_coden_Cambridge 580
_journal_volume 27
_journal_year 2008
_journal_page_first 2791
_journal_name_full 'Polyhedron '
loop_
_publ_author_name
"Geng-Geng Luo"
"Rong-Bin Huang"
"Jian-Hua Chen"
"Li-Rong Lin"
"Lan-Sun Zheng"
_chemical_name_systematic
;
catena-((μ₂-2-Amino-4,6-dimethylpyrimidine-N,N')-aqua-(trifluoromethanesulf
onato-O)-silver(i))
;
_cell_volume   2825.974
_exptl_crystal_density_diffrn 1.871
_exptl_special_details
;
luminescent

;
_diffrn_ambient_temperature 298
#These two values have been output from a single CSD field.
_refine_ls_R_factor_gt 0.0488
_refine_ls_wR_factor_gt 0.0488
_symmetry_cell_setting orthorhombic
_symmetry_space_group_name_H-M 'P b c a'
_symmetry_Int_Tables_number 61
loop_
_symmetry_equiv_pos_site_id
_symmetry_equiv_pos_as_xyz
1 x,y,z
2 1/2-x,-y,1/2+z
3 -x,1/2+y,1/2-z
4 1/2+x,1/2-y,-z
5 -x,-y,-z
6 -1/2+x,y,-1/2-z
7 x,-1/2-y,-1/2+z
8 -1/2-x,-1/2+y,z
_cell_length_a 14.256(8)
_cell_length_b 12.635(7)
_cell_length_c 15.689(9)
_cell_angle_alpha 90
_cell_angle_beta 90
_cell_angle_gamma 90
_cell_formula_units_Z 8
loop_
_atom_type_symbol
_atom_type_radius_bond
C 0.68
H 0.23
Ag 1.63
F 0.64
N 0.68
O 0.68
S 1.02
loop_
_atom_site_label
_atom_site_type_symbol
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
Ag1 Ag 0.23204(3) 0.93006(2) 0.04698(2)
C1 C 0.1257(3) 0.5751(3) -0.0458(2)
C2 C 0.2218(2) 0.6785(3) 0.0380(2)
C3 C 0.0799(3) 0.6649(3) -0.0719(3)
H1 H 0.03000 0.66010 -0.10980
C4 C 0.3812(6) 0.8014(6) 0.3151(4)
C5 C 0.0995(3) 0.4674(3) -0.0773(3)
H2 H 0.08770 0.42180 -0.02960
H3 H 0.04410 0.47230 -0.11180
H4 H 0.15010 0.43910 -0.11070
C6 C 0.1082(3) 0.7624(3) -0.0415(2)
C7 C 0.0612(4) 0.8631(3) -0.0683(4)
H5 H 0.03540 0.89780 -0.01920
H6 H 0.01180 0.84730 -0.10790
H7 H 0.10630 0.90870 -0.09510
N1 N 0.1804(2) 0.7694(2) 0.01268(19)
N2 N 0.1974(2) 0.58135(19) 0.0105(2)
N3 N 0.2928(3) 0.6858(2) 0.0924(3)
H8 H 0.32150 0.62960 0.10900
H9 H 0.31010 0.74670 0.11120
O1 O 0.35859(19) 0.8856(2) 0.16914(17)
O2 O 0.2943(2) 0.9766(3) 0.2914(2)
O3 O 0.4604(2) 0.9740(3) 0.2664(2)
F1 F 0.4460(5) 0.7398(4) 0.2862(3)
F2 F 0.3964(4) 0.8187(4) 0.3952(3)
F3 F 0.3019(4) 0.7466(4) 0.3107(3)
S1 S 0.37258(6) 0.92236(8) 0.25422(7)
O4 O 0.14292(18) 0.9931(2) 0.17618(19)
H10 H 0.16780 0.97950 0.22420
H11 H 0.08400 0.98250 0.17550
Ag1G Ag 0.26796(3) 0.43006(2) 0.04698(2)
N2G N 0.3026(2) 1.08135(19) 0.0105(2)
#END

data_CSD_CIF_YOKPUK
_audit_creation_date 2009-02-13
_audit_creation_method CSD-ConQuest-V1
_database_code_CSD YOKPUK
_database_code_depnum_ccdc_archive 'CCDC 668536'
_chemical_formula_sum 'C24 H36 Ag2 Cl2 N12 O8'
_chemical_formula_moiety
;
C24 H36 Ag2 N12 2+,2(Cl1 O4 1-)
;
_journal_coden_Cambridge 580
_journal_volume 27
_journal_year 2008
_journal_page_first 2791
_journal_name_full 'Polyhedron '
loop_
_publ_author_name
"Geng-Geng Luo"
"Rong-Bin Huang"
"Jian-Hua Chen"
"Li-Rong Lin"
"Lan-Sun Zheng"
_chemical_name_systematic
;
bis(μ₂-2-Amino-4,6-dimethylpyrimidine-N,N')-bis(2-amino-4,6-dimethylpyrimid
ine-N)-di-silver(i) diperchlorate
;
_cell_volume    820.990
_exptl_crystal_density_diffrn 1.835
_exptl_special_details
;
luminescent

;
_diffrn_ambient_temperature 173
#These two values have been output from a single CSD field.
_refine_ls_R_factor_gt 0.0259
_refine_ls_wR_factor_gt 0.0259
loop_
_citation_database_id_CSD
_citation_special_details
YOKPUK01 "is a reinterpretation of this cif"
_symmetry_cell_setting triclinic
_symmetry_space_group_name_H-M 'P 1'
_symmetry_Int_Tables_number 1
loop_
_symmetry_equiv_pos_site_id
_symmetry_equiv_pos_as_xyz
1 x,y,z
_cell_length_a 7.3094(3)
_cell_length_b 8.5764(4)
_cell_length_c 13.4415(5)
_cell_angle_alpha 96.464(3)
_cell_angle_beta 93.870(3)
_cell_angle_gamma 100.107(3)
_cell_formula_units_Z 1
loop_
_atom_type_symbol
_atom_type_radius_bond
C 0.68
H 0.23
Ag 1.59
Cl 0.99
N 0.68
O 0.68
loop_
_atom_site_label
_atom_site_type_symbol
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
Ag1 Ag 0.50351(4) 0.98379(3) 0.78788(2)
Ag2 Ag 0.49891(4) 1.01817(3) 1.21205(2)
Cl1 Cl 0.4484(4) 1.4574(3) 0.7924(2)
Cl2 Cl 0.5551(4) 0.5438(3) 1.2088(2)
N1 N 0.8489(12) 1.155(1) 1.4974(7)
N2 N 0.8234(12) 0.9389(11) 1.3787(7)
H1 H 0.93220 0.92300 1.40360
H2 H 0.76250 0.87420 1.32690
N3 N 0.5880(13) 1.0851(10) 1.3772(7)
N4 N 0.2718(12) 0.9913(10) 1.0828(7)
N5 N 0.4232(11) 1.1962(9) 1.0074(6)
H3 H 0.46280 1.24920 1.06700
H4 H 0.45420 1.23850 0.95280
N6 N 0.2629(12) 0.9762(10) 0.9051(7)
N7 N 0.5929(12) 0.8081(10) 0.9965(7)
H5 H 0.56150 0.76590 1.05100
H6 H 0.55600 0.75390 0.93680
N8 N 0.7481(10) 1.0302(10) 1.0977(6)
N9 N 0.7345(12) 1.0173(10) 0.9164(6)
N10 N 0.1928(12) 1.0707(11) 0.6197(7)
H7 H 0.08590 1.08980 0.59450
H8 H 0.25730 1.13610 0.67010
N11 N 0.1522(12) 0.8453(10) 0.5036(6)
N12 N 0.4256(11) 0.9197(9) 0.6239(6)
C1 C 0.6876(10) 0.7813(8) 0.6097(6)
H9 H 0.73490 0.85800 0.66940
H10 H 0.77170 0.79870 0.55660
H11 H 0.68120 0.67250 0.62670
C2 C 0.4932(13) 0.8043(12) 0.5729(7)
C3 C 0.4036(15) 0.7086(12) 0.4889(7)
H12 H 0.46060 0.63280 0.45110
C4 C 0.2273(16) 0.7299(12) 0.4636(7)
C5 C 0.0981(13) 0.6084(9) 0.3813(6)
H13 H -0.02440 0.63930 0.37360
H14 H 0.08350 0.50100 0.40170
H15 H 0.15440 0.60880 0.31720
C6 C 0.2546(12) 0.9481(11) 0.5831(6)
C7 C 0.0631(13) 0.7545(11) 0.7892(7)
H16 H -0.02620 0.65550 0.79090
H17 H 0.17000 0.73050 0.75400
H18 H 0.00250 0.82820 0.75370
C8 C 0.1321(12) 0.8336(10) 0.8995(7)
C9 C 0.0678(12) 0.7735(10) 0.9772(7)
H19 H -0.02630 0.68020 0.96850
C10 C 0.1403(11) 0.8495(11) 1.0782(7)
C11 C 0.0816(16) 0.7851(13) 1.1637(8)
H20 H -0.01170 0.68760 1.14370
H21 H 0.02640 0.86280 1.20530
H22 H 0.18860 0.75940 1.20220
C12 C 0.3103(13) 1.0439(11) 0.9992(8)
C13 C 0.6913(13) 0.9468(12) 1.0039(6)
C14 C 0.8665(12) 1.1621(11) 1.1084(7)
C15 C 0.9184(14) 1.2492(10) 1.2059(7)
H23 H 0.85410 1.19070 1.25600
H24 H 0.88300 1.35440 1.20750
H25 H 1.05360 1.26230 1.22130
C16 C 0.9388(13) 1.2226(12) 1.0185(8)
H26 H 1.03830 1.31140 1.02290
C17 C 0.8599(14) 1.1486(13) 0.9322(8)
C18 C 0.9099(13) 1.2157(10) 0.8304(7)
H27 H 0.83760 1.14460 0.77370
H28 H 1.04340 1.22140 0.82340
H29 H 0.87960 1.32270 0.83110
C19 C 0.3085(13) 1.2051(11) 1.3782(7)
H30 H 0.27380 1.12200 1.32040
H31 H 0.31000 1.31020 1.35580
H32 H 0.21750 1.18830 1.42800
C20 C 0.4957(14) 1.1974(10) 1.4238(6)
C21 C 0.5940(13) 1.2959(11) 1.5065(7)
H33 H 0.53620 1.37420 1.54120
C22 C 0.7779(14) 1.2829(11) 1.5408(7)
C23 C 0.8906(14) 1.3952(11) 1.6146(8)
H34 H 0.81860 1.47480 1.64030
H35 H 0.99970 1.44830 1.58480
H36 H 0.93180 1.34050 1.66980
C24 C 0.7471(13) 1.0676(10) 1.4216(7)
O1 O 0.4856(14) 1.3007(9) 0.7996(6)
O2 O 0.3409(12) 1.5040(11) 0.8712(6)
O3 O 0.6128(13) 1.5721(11) 0.8097(7)
O4 O 0.3670(12) 1.4858(10) 0.6948(6)
O5 O 0.6542(14) 0.5424(12) 1.2996(6)
O6 O 0.3713(12) 0.4499(11) 1.1929(6)
O7 O 0.6676(13) 0.5192(11) 1.1279(7)
O8 O 0.5395(12) 0.7073(8) 1.2202(6)
#END

data_CSD_CIF_YOKQAR
_audit_creation_date 2009-02-13
_audit_creation_method CSD-ConQuest-V1
_database_code_CSD YOKQAR
_database_code_depnum_ccdc_archive 'CCDC 668537'
_chemical_formula_sum 'C6 H9 Ag1 Cl1 N3 O5'
_chemical_formula_moiety
;
(C6 H9 Ag1 Cl1 N3 O5)n
;
_journal_coden_Cambridge 580
_journal_volume 27
_journal_year 2008
_journal_page_first 2791
_journal_name_full 'Polyhedron '
loop_
_publ_author_name
"Geng-Geng Luo"
"Rong-Bin Huang"
"Jian-Hua Chen"
"Li-Rong Lin"
"Lan-Sun Zheng"
_chemical_name_systematic
;
catena-((μ₂-2-Amino-4-methoxy-6-methylpyrimidine-N,N')-(μ₂-perchlorato-O
,O')-silver(i))
;
_cell_volume   1032.416
_exptl_crystal_density_diffrn 2.229
_exptl_special_details
;
luminescent

;
_diffrn_ambient_temperature 173
#These two values have been output from a single CSD field.
_refine_ls_R_factor_gt 0.0187
_refine_ls_wR_factor_gt 0.0187
_symmetry_cell_setting monoclinic
_symmetry_space_group_name_H-M 'P 21/n'
_symmetry_Int_Tables_number 14
loop_
_symmetry_equiv_pos_site_id
_symmetry_equiv_pos_as_xyz
1 x,y,z
2 1/2-x,1/2+y,1/2-z
3 -x,-y,-z
4 -1/2+x,-1/2-y,-1/2+z
_cell_length_a 8.1291(1)
_cell_length_b 10.8255(2)
_cell_length_c 12.0301(2)
_cell_angle_alpha 90
_cell_angle_beta 102.786(2)
_cell_angle_gamma 90
_cell_formula_units_Z 4
loop_
_atom_type_symbol
_atom_type_radius_bond
C 0.68
H 0.23
Ag 1.59
Cl 0.99
N 0.68
O 0.68
loop_
_atom_site_label
_atom_site_type_symbol
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
Ag1 Ag 0.50983(2) 0.269568(19) 0.205434(15)
Cl1 Cl 0.30352(7) 0.57466(5) 0.19030(5)
O1 O 0.2835(2) 0.44318(17) 0.20396(16)
O2 O 0.4735(3) 0.6005(2) 0.1873(2)
O3 O 0.2584(3) 0.63591(19) 0.28562(17)
O4 O 0.1923(3) 0.6144(2) 0.08750(17)
O5 O 0.6900(2) 0.14660(17) 0.05887(14)
N1 N 0.4267(2) 0.21812(18) 0.01964(15)
N2 N 0.2390(2) 0.19097(18) -0.16146(15)
N3 N 0.1608(2) 0.3005(2) -0.01711(17)
H1 H 0.06120 0.31270 -0.06230
H2 H 0.18320 0.33080 0.05250
C1 C 0.8315(3) 0.0910(3) 0.0237(2)
H3 H 0.92940 0.08990 0.08810
H4 H 0.85850 0.13900 -0.03900
H5 H 0.80280 0.00620 -0.00190
C2 C 0.5444(3) 0.1558(2) -0.01861(19)
C3 C 0.3187(3) 0.0718(3) -0.3138(2)
H6 H 0.20270 0.09330 -0.35150
H7 H 0.39660 0.10560 -0.35760
H8 H 0.33040 -0.01830 -0.30950
C4 C 0.2777(3) 0.2362(2) -0.05398(18)
C5 C 0.3591(3) 0.1248(2) -0.19612(18)
C6 C 0.5152(3) 0.1057(2) -0.12671(19)
H9 H 0.59970 0.05990 -0.15200
Ag1A Ag -0.00983(2) 0.769568(19) 0.294566(15)
Ag1C Ag 0.00983(2) 0.230432(19) -0.294566(15)
O3A O 0.2416(3) 0.13591(19) 0.21438(17)
N2C N 0.7390(2) 0.30903(18) 0.33854(15)
#END

data_CSD_CIF_YOKQEV
_audit_creation_date 2009-02-13
_audit_creation_method CSD-ConQuest-V1
_database_code_CSD YOKQEV
_database_code_depnum_ccdc_archive 'CCDC 668538'
_chemical_formula_sum 'C6 H9 Ag1 Cl1 N3 O6'
_chemical_formula_moiety
;
(C6 H9 Ag1 N3 O2 1+)n,n(Cl1 O4 1-)
;
_journal_coden_Cambridge 580
_journal_volume 27
_journal_year 2008
_journal_page_first 2791
_journal_name_full 'Polyhedron '
loop_
_publ_author_name
"Geng-Geng Luo"
"Rong-Bin Huang"
"Jian-Hua Chen"
"Li-Rong Lin"
"Lan-Sun Zheng"
_chemical_name_systematic
;
catena-((μ₂-2-Amino-4,6-dimethoxypyrimidine-N,N')-silver(i) perchlorate)
;
_cell_volume   2123.617
_exptl_crystal_density_diffrn 2.268
_diffrn_ambient_temperature 173
#These two values have been output from a single CSD field.
_refine_ls_R_factor_gt 0.0192
_refine_ls_wR_factor_gt 0.0192
_symmetry_cell_setting orthorhombic
_symmetry_space_group_name_H-M 'P c c n'
_symmetry_Int_Tables_number 56
loop_
_symmetry_equiv_pos_site_id
_symmetry_equiv_pos_as_xyz
1 x,y,z
2 1/2-x,1/2-y,z
3 -x,1/2+y,1/2-z
4 1/2+x,-y,1/2-z
5 -x,-y,-z
6 -1/2+x,-1/2+y,-z
7 x,-1/2-y,-1/2+z
8 -1/2-x,y,-1/2+z
_cell_length_a 14.2842(3)
_cell_length_b 11.7549(2)
_cell_length_c 12.6474(2)
_cell_angle_alpha 90
_cell_angle_beta 90
_cell_angle_gamma 90
_cell_formula_units_Z 8
loop_
_atom_type_symbol
_atom_type_radius_bond
C 0.68
H 0.23
Ag 1.59
Cl 0.99
N 0.68
O 0.68
loop_
_atom_site_label
_atom_site_type_symbol
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
Ag1 Ag 0.364590(12) 0.214876(13) 0.643528(11)
Cl1 Cl 0.41605(4) -0.13468(4) 0.84751(4)
C1 C 0.36446(14) 0.23261(17) 0.39394(16)
C2 C 0.36826(14) 0.05050(17) 0.46035(15)
C3 C 0.35936(14) 0.00458(18) 0.36039(15)
H1 H 0.36000 -0.07510 0.34800
C4 C 0.34946(14) 0.08254(17) 0.27995(15)
C5 C 0.38380(18) -0.13187(18) 0.53822(17)
H2 H 0.38970 -0.16640 0.60840
H3 H 0.43910 -0.15070 0.49580
H4 H 0.32760 -0.16130 0.50320
C6 C 0.3381(2) -0.0638(2) 0.15058(17)
H5 H 0.32630 -0.07220 0.07470
H6 H 0.29040 -0.10570 0.19040
H7 H 0.40020 -0.09420 0.16750
N1 N 0.36847(12) 0.16303(14) 0.47872(13)
N2 N 0.36903(13) 0.34476(15) 0.41083(14)
H8 H 0.36500 0.39230 0.35730
H9 H 0.37610 0.37100 0.47550
N3 N 0.35370(12) 0.19551(14) 0.29418(13)
O1 O 0.32207(13) -0.1421(2) 0.88176(17)
O2 O 0.44262(14) -0.23720(14) 0.79389(14)
O3 O 0.47469(14) -0.11918(18) 0.93761(14)
O4 O 0.42780(17) -0.04058(14) 0.77694(13)
O5 O 0.37653(11) -0.00933(12) 0.54889(11)
O6 O 0.33428(12) 0.05546(13) 0.17891(11)
Ag1A Ag 0.135410(12) 0.285124(13) 0.643528(11)
Ag1F Ag 0.364590(12) 0.285124(13) 0.143528(11)
N3F N 0.35370(12) 0.30449(14) 0.79418(13)
#END

data_CSD_CIF_YUCYAX
_audit_creation_date 2009-11-24
_audit_creation_method CSD-ConQuest-V1
_database_code_CSD YUCYAX
_database_code_depnum_ccdc_archive 'CCDC 750528'
_chemical_formula_sum 'C11 H16 Ag1 Cl1 N6 O4'
_chemical_formula_moiety
;
C11 H16 Ag1 N6 1+,Cl1 O4 1-
;
_journal_coeditor_code "IUCr NG2621"
_journal_coden_Cambridge 1370
_journal_volume 65
_journal_year 2009
_journal_page_first m1176
_journal_name_full 'Acta Crystallogr.,Sect.E:Struct.Rep.Online '
loop_
_publ_author_name
"Hua Yang"
_chemical_name_systematic
;
(2-Amino-4,6-dimethylpyrimidine-\kN¹)-(2-amino-4-methylpyrimidine-\kN¹)-si
lver(i) perchlorate
;
_cell_volume   1548.469
_exptl_crystal_colour 'colorless'
_exptl_crystal_density_diffrn 1.886
_exptl_crystal_description 'prism'
_diffrn_ambient_temperature 120
#These two values have been output from a single CSD field.
_refine_ls_R_factor_gt 0.0369
_refine_ls_wR_factor_gt 0.0369
_symmetry_cell_setting monoclinic
_symmetry_space_group_name_H-M 'P 21/n'
_symmetry_Int_Tables_number 14
loop_
_symmetry_equiv_pos_site_id
_symmetry_equiv_pos_as_xyz
1 x,y,z
2 1/2-x,1/2+y,1/2-z
3 -x,-y,-z
4 -1/2+x,-1/2-y,-1/2+z
_cell_length_a 12.3952(5)
_cell_length_b 7.8324(4)
_cell_length_c 15.9956(5)
_cell_angle_alpha 90
_cell_angle_beta 94.339(3)
_cell_angle_gamma 90
_cell_formula_units_Z 4
loop_
_atom_type_symbol
_atom_type_radius_bond
C 0.68
H 0.23
Ag 1.45
Cl 0.99
N 0.68
O 0.68
loop_
_atom_site_label
_atom_site_type_symbol
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
Ag1 Ag 0.19079(3) 0.45483(5) 0.720510(19)
C1 C 0.1554(4) 0.3648(7) 0.3245(3)
H1 H 0.11080 0.26820 0.30870
H2 H 0.22610 0.34870 0.30510
H3 H 0.12350 0.46630 0.29980
C2 C 0.1644(3) 0.3818(5) 0.4169(3)
C3 C 0.0929(3) 0.3330(5) 0.5423(2)
C4 C 0.2530(4) 0.4782(6) 0.5433(3)
H4 H 0.31060 0.53450 0.57200
C5 C 0.2516(4) 0.4648(6) 0.4585(3)
H5 H 0.30730 0.50970 0.42940
C6 C 0.3056(3) 0.4035(5) 0.8973(2)
C7 C 0.1481(3) 0.5552(5) 0.9020(3)
C8 C 0.0587(4) 0.6489(7) 0.8581(3)
H6 H 0.08710 0.73650 0.82400
H7 H 0.01490 0.70000 0.89830
H8 H 0.01530 0.57170 0.82310
C9 C 0.1577(4) 0.5429(6) 0.9877(3)
H9 H 0.10750 0.59530 1.01970
C10 C 0.2424(4) 0.4521(5) 1.0253(3)
C11 C 0.2548(5) 0.4273(8) 1.1177(3)
H10 H 0.32690 0.45820 1.13840
H11 H 0.24200 0.30970 1.13070
H12 H 0.20370 0.49790 1.14370
N1 N 0.2212(3) 0.4824(4) 0.8553(2)
N2 N 0.3831(3) 0.3336(4) 0.8522(2)
H13 H 0.43660 0.27980 0.87740
H14 H 0.37850 0.34300 0.79850
N3 N 0.3176(3) 0.3841(5) 0.9803(2)
N4 N 0.1743(3) 0.4133(4) 0.5875(2)
N5 N 0.0136(3) 0.2635(5) 0.5824(2)
H15 H -0.03860 0.21130 0.55450
H16 H 0.01440 0.27080 0.63600
N6 N 0.0857(3) 0.3161(4) 0.4580(2)
Cl1 Cl 0.50494(9) 0.64276(14) 0.68793(6)
O1 O 0.4928(3) 0.6816(5) 0.6012(2)
O2 O 0.4001(3) 0.6130(5) 0.7187(2)
O3 O 0.5697(3) 0.4961(5) 0.7031(3)
O4 O 0.5523(4) 0.7822(6) 0.7327(3)
#END

data_CSD_CIF_VIQQIX
_audit_creation_date 2013-10-07
_audit_creation_method CSD-ConQuest-V1
_database_code_CSD VIQQIX
_database_code_depnum_ccdc_archive 'CCDC 912814'
_chemical_formula_sum 'C20 H22 Ag3 N9 O9 S1'
_chemical_formula_moiety
;
(C20 H20 Ag3 N9 O8 S1)n,n(H2 O1)
;
_journal_coden_Cambridge 369
_journal_volume 38
_journal_year 2013
_journal_page_first 765
_journal_name_full 'Transition Met.Chem. '
loop_
_publ_author_name
"Jie Wang"
"Jia-Guo Wang"
"Xin-Hua Li"
"Hong-Ping Xiao"
_chemical_name_systematic
;
catena-((μ₃-2-Sulfoterephthalic 
acid)-tris(μ₂-pyrimidin-2-amine)-aqua-tri-silver monohydrate)
;
_cell_volume   1306.408
_exptl_crystal_colour 'colorless'
_exptl_crystal_density_diffrn 2.258
_exptl_crystal_description 'Prism'
_diffrn_ambient_temperature 298
#These two values have been output from a single CSD field.
_refine_ls_R_factor_gt 0.0287
_refine_ls_wR_factor_gt 0.0287
_symmetry_cell_setting triclinic
_symmetry_space_group_name_H-M 'P -1'
_symmetry_Int_Tables_number 2
loop_
_symmetry_equiv_pos_site_id
_symmetry_equiv_pos_as_xyz
1 x,y,z
2 -x,-y,-z
_cell_length_a 8.4598(5)
_cell_length_b 8.7939(5)
_cell_length_c 18.5836(11)
_cell_angle_alpha 80.227(1)
_cell_angle_beta 81.554(1)
_cell_angle_gamma 74.673(1)
_cell_formula_units_Z 2
loop_
_atom_type_symbol
_atom_type_radius_bond
C 0.68
H 0.23
Ag 1.45
N 0.68
O 0.68
S 1.02
loop_
_atom_site_label
_atom_site_type_symbol
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
Ag1 Ag 1.25864(5) 0.47543(4) 0.157978(18)
Ag2 Ag 0.75032(5) 0.30770(4) 0.183465(19)
Ag3 Ag 0.72326(5) -0.56901(4) 0.512744(17)
S1 S 0.98318(12) -0.07988(11) 0.17399(5)
O1 O 1.0962(5) 0.2900(4) 0.23009(17)
O2 O 1.2985(4) 0.0871(5) 0.1961(2)
O3 O 0.9703(4) 0.0817(3) 0.13754(15)
O4 O 0.8311(4) -0.1294(4) 0.17880(17)
O5 O 1.1249(5) -0.1936(4) 0.14397(18)
O6 O 0.7820(4) -0.3575(4) 0.43375(17)
O7 O 0.9275(5) -0.3147(4) 0.51628(17)
O8 O 0.5878(4) 0.1378(5) 0.1365(2)
H1 H 0.48510 0.18050 0.14300
H2 H 0.60810 0.04450 0.16030
N1 N 1.3540(4) 0.5597(4) 0.24422(18)
N2 N 1.2052(5) 0.4399(5) 0.3403(2)
H3 H 1.16860 0.39680 0.30740
H4 H 1.17210 0.41960 0.38850
N3 N 1.3599(4) 0.5991(4) 0.36751(18)
N4 N 0.6845(5) 0.2400(4) 0.30382(19)
N5 N 0.8273(5) 0.4033(5) 0.3351(2)
H5 H 0.85270 0.45420 0.36830
H6 H 0.87300 0.41490 0.28830
N6 N 0.6574(5) 0.2973(4) 0.42763(19)
N7 N 0.7602(5) 0.4838(4) 0.08206(18)
N8 N 0.6839(7) 0.3356(5) 0.0083(2)
H7 H 0.66870 0.31860 -0.03630
H8 H 0.66220 0.26800 0.04840
N9 N 0.7698(5) 0.5590(4) -0.04707(18)
C1 C 1.1671(5) 0.1456(5) 0.2328(2)
C2 C 1.0900(5) 0.0271(5) 0.2867(2)
C3 C 1.0111(5) -0.0774(5) 0.2669(2)
C4 C 0.9425(5) -0.1794(4) 0.3210(2)
H9 H 0.88570 -0.24560 0.30750
C5 C 0.9578(5) -0.1833(4) 0.3945(2)
C6 C 1.0422(5) -0.0831(5) 0.4141(2)
H10 H 1.05800 -0.08810 0.46300
C7 C 1.1026(5) 0.0237(5) 0.3610(2)
H11 H 1.15260 0.09480 0.37510
C8 C 0.8846(5) -0.2940(5) 0.4532(2)
C9 C 1.3084(5) 0.5340(5) 0.3174(2)
C10 C 1.4630(6) 0.6931(6) 0.3423(3)
H12 H 1.50190 0.73800 0.37580
C11 C 1.5136(6) 0.7258(6) 0.2693(3)
H13 H 1.58540 0.79120 0.25270
C12 C 1.4529(5) 0.6573(5) 0.2217(2)
H14 H 1.48230 0.68020 0.17160
C13 C 0.7228(5) 0.3107(5) 0.3559(2)
C14 C 0.5531(6) 0.2027(6) 0.4458(3)
H15 H 0.50340 0.19310 0.49390
C15 C 0.5156(7) 0.1196(7) 0.3977(3)
H16 H 0.44610 0.05130 0.41260
C16 C 0.5855(6) 0.1415(6) 0.3262(3)
H17 H 0.56300 0.08570 0.29230
C17 C 0.7386(5) 0.4600(5) 0.0150(2)
C18 C 0.8249(6) 0.6852(5) -0.0399(2)
H18 H 0.84660 0.75450 -0.08180
C19 C 0.8500(6) 0.7150(5) 0.0267(3)
H19 H 0.89060 0.80130 0.03090
C20 C 0.8130(6) 0.6126(5) 0.0869(2)
H20 H 0.82470 0.63290 0.13310
O9 O 0.4242(8) 0.8977(8) 0.0613(3)
H21 H 0.49770 0.82530 0.07750
H22 H 0.36560 0.94440 0.09620
Ag1A Ag 0.74136(5) 0.52457(4) -0.157978(18)
Ag3* Ag 0.72326(5) 0.43099(4) 0.512744(17)
Ag3A Ag 1.27674(5) 0.56901(4) 0.487256(17)
N3A N 0.6401(4) -0.5991(4) 0.63249(18)
N6* N 0.6574(5) -0.7027(4) 0.42763(19)
N9A N 1.2302(5) 0.4410(4) 0.04707(18)
#END

data_CSD_CIF_VIJSOY
_audit_creation_date 2013-10-03
_audit_creation_method CSD-ConQuest-V1
_database_code_CSD VIJSOY
_database_code_depnum_ccdc_archive 'CCDC 912815'
_chemical_formula_sum 'C20 H26 Ag2 N6 O9 S1'
_chemical_formula_moiety
;
(C20 H24 Ag2 N6 O8 S1)n,n(H2 O1)
;
_journal_coden_Cambridge 369
_journal_volume 38
_journal_year 2013
_journal_page_first 765
_journal_name_full 'Transition Met.Chem. '
loop_
_publ_author_name
"Jie Wang"
"Jia-Guo Wang"
"Xin-Hua Li"
"Hong-Ping Xiao"
_chemical_name_systematic
;
catena-[(μ₂-2-Sulfoterephthalato)-bis(μ₂-4,6-dimethylpyrimidin-2-amine)-
aqua-di-silver monohydrate]
;
_cell_volume   2543.334
_exptl_crystal_colour 'colorless'
_exptl_crystal_density_diffrn 1.939
_exptl_crystal_description 'Prism'
_diffrn_ambient_temperature 298
_refine_special_details
;
O3,O4,O5 and O3',O4',O5' disordered over two sites with occupancies 
;
#These two values have been output from a single CSD field.
_refine_ls_R_factor_gt 0.0308
_refine_ls_wR_factor_gt 0.0308
_symmetry_cell_setting monoclinic
_symmetry_space_group_name_H-M 'P 21/c'
_symmetry_Int_Tables_number 14
loop_
_symmetry_equiv_pos_site_id
_symmetry_equiv_pos_as_xyz
1 x,y,z
2 -x,1/2+y,1/2-z
3 -x,-y,-z
4 x,-1/2-y,-1/2+z
_cell_length_a 9.8955(14)
_cell_length_b 22.883(3)
_cell_length_c 13.5489(13)
_cell_angle_alpha 90
_cell_angle_beta 124.005(7)
_cell_angle_gamma 90
_cell_formula_units_Z 4
loop_
_atom_type_symbol
_atom_type_radius_bond
C 0.68
H 0.23
Ag 1.45
N 0.68
O 0.68
S 1.02
loop_
_atom_site_label
_atom_site_type_symbol
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
Ag1 Ag 0.11689(3) 0.625526(12) 0.27410(2)
Ag2 Ag 0.25842(4) 0.605506(12) 0.83891(3)
S1 S 0.31647(10) 0.57163(4) 0.59867(7)
O1 O -0.0422(3) 0.65202(11) 0.3594(2)
O2 O -0.0736(3) 0.6537(2) 0.5078(3)
O3 O 0.2405(7) 0.5583(3) 0.4697(5)
O4 O 0.2129(8) 0.5595(3) 0.6377(6)
O5 O 0.4766(8) 0.5525(3) 0.6714(6)
O6 O 0.7762(3) 0.73213(13) 0.7983(3)
O7 O 0.6546(3) 0.81857(11) 0.7317(2)
H1 H 0.74820 0.83080 0.77400
O8 O -0.0369(4) 0.61864(13) 0.7094(2)
H2 H -0.06050 0.63900 0.64930
H3 H -0.08270 0.58540 0.68640
N1 N 0.2933(3) 0.69803(11) 0.3469(2)
N2 N 0.3416(3) 0.80080(12) 0.3690(2)
N3 N 0.0831(3) 0.76296(14) 0.2850(3)
H4 H 0.04610 0.79800 0.27530
H5 H 0.01770 0.73370 0.26270
N4 N -0.0609(3) 0.56360(12) 0.1396(2)
N5 N -0.2423(3) 0.48301(12) 0.0903(2)
N6 N -0.1051(4) 0.52425(15) 0.2753(3)
H6 H -0.15180 0.49950 0.29470
H7 H -0.03820 0.54950 0.32660
C1 C 0.0095(4) 0.65895(15) 0.4680(3)
C2 C 0.1816(3) 0.68226(14) 0.5461(2)
C3 C 0.3238(4) 0.64898(14) 0.6010(2)
C4 C 0.4751(4) 0.67530(14) 0.6634(3)
H8 H 0.56870 0.65240 0.69940
C5 C 0.4883(4) 0.73544(15) 0.6728(3)
C6 C 0.3485(4) 0.76927(15) 0.6208(3)
H9 H 0.35640 0.80980 0.62760
C7 C 0.1963(4) 0.74252(15) 0.5584(3)
H10 H 0.10290 0.76540 0.52440
C8 C 0.6548(4) 0.76148(15) 0.7405(3)
C9 C 0.2420(4) 0.75402(14) 0.3349(3)
C10 C 0.5024(4) 0.78976(15) 0.4245(3)
C11 C 0.5616(4) 0.73401(16) 0.4434(3)
H11 H 0.67310 0.72730 0.48380
C12 C 0.4535(4) 0.68799(14) 0.4018(3)
C13 C 0.6131(5) 0.84125(17) 0.4636(4)
H12 H 0.56910 0.86920 0.40000
H13 H 0.71860 0.82880 0.48450
H14 H 0.62280 0.85890 0.53160
C14 C 0.5094(5) 0.62666(16) 0.4145(4)
H15 H 0.52790 0.61030 0.48630
H16 H 0.60890 0.62570 0.41790
H17 H 0.42760 0.60420 0.34740
C15 C -0.1361(4) 0.52359(14) 0.1671(3)
C16 C -0.2871(4) 0.48676(15) -0.0231(3)
C17 C -0.2173(4) 0.52726(16) -0.0570(3)
H18 H -0.24870 0.52950 -0.13570
C18 C -0.1002(4) 0.56432(14) 0.0279(3)
C19 C -0.4174(5) 0.44605(19) -0.1110(4)
H19 H -0.38740 0.40660 -0.08310
H20 H -0.43040 0.44990 -0.18650
H21 H -0.51830 0.45550 -0.12000
C20 C -0.0177(5) 0.60773(17) -0.0037(4)
H22 H -0.05870 0.64610 -0.00640
H23 H -0.03910 0.59820 -0.08030
H24 H 0.09760 0.60680 0.05510
O9? O 0.3033(9) 0.5550(3) 0.6980(6)
O10? O 0.1943(9) 0.5529(3) 0.4846(6)
O11? O 0.4781(9) 0.5496(4) 0.6308(7)
O12 O 0.7572(4) 0.97348(18) 0.1675(3)
H25 H 0.68940 0.99930 0.12120
H26 H 0.82550 0.98870 0.23490
Ag2B Ag -0.25842(4) 0.394494(12) 0.16109(3)
Ag2C Ag 0.25842(4) 0.894494(12) 0.33891(3)
N2C N 0.3416(3) 0.69920(12) 0.8690(2)
N5B N 0.2423(3) 0.51699(12) 0.9097(2)
#END
