data_2012922
_journal_name_full  'Acta Crystallographica, Section C'
_journal_year  2002
_journal_volume  58
_journal_page_first  i119
_journal_page_last  i120
_publ_section_title
;
Cs[Ag~4~Zn~2~(SCN)~9~]
;
loop_
_publ_author_name
  'G\"une\;s, Minna'
  'Valkonen, Jussi'
_chemical_name_common
;
caesium tetrasilver dizinc thioyanate
;
_chemical_formula_sum  'C9 Ag4 Cs N9 S9 Zn2'
_chemical_formula_structural  'Cs [Ag4 Zn2 (S C N)9]'
_chemical_formula_iupac  'Cs [Ag4 Zn2 (S C N)9]'
_chemical_formula_weight  1217.85
_symmetry_cell_setting  triclinic
_symmetry_space_group_name_H-M  'P -1'
_symmetry_space_group_name_Hall  '-P 1'
loop_
_symmetry_equiv_pos_as_xyz
  'x, y, z'
  '-x, -y, -z'
_cell_length_a  7.54930(10)
_cell_length_b  8.9297(2)
_cell_length_c  10.5701(2)
_cell_angle_alpha  78.0450(10)
_cell_angle_beta  82.9120(10)
_cell_angle_gamma  82.8280(10)
_cell_volume  688.15(2)
_cell_formula_units_Z  1
_cell_measurement_temperature  293(2)
_exptl_crystal_density_diffrn  2.939
_diffrn_ambient_temperature  293(2)
loop_
_atom_site_label
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_U_iso_or_equiv
_atom_site_adp_type
_atom_site_calc_flag
_atom_site_refinement_flags
_atom_site_occupancy
_atom_site_disorder_assembly
_atom_site_disorder_group
_atom_site_type_symbol
  Ag1 0.11263(8) 0.00738(7) 0.63027(6) 0.0641(2) Uani d . 1 . . Ag
  Ag2 0.29818(9) 0.04688(6) -0.11202(7) 0.0634(2) Uani d . 1 . . Ag
  Cs1 0.5 0.5 0.5 0.0881(3) Uani d S 1 . . Cs
  Zn1 0.29349(9) 0.46434(8) 0.18914(6) 0.03385(18) Uani d . 1 . . Zn
  S1 0.1081(2) -0.21981(19) 0.47721(15) 0.0414(4) Uani d . 1 . . S
  S2 0.4121(4) 0.1170(4) 0.5598(3) 0.0596(7) Uani d P 0.5 . . S
  S3 0.14201(19) -0.17662(17) 0.84704(14) 0.0365(3) Uani d . 1 . . S
  S4 -0.1664(2) 0.67990(19) 0.19097(16) 0.0439(4) Uani d . 1 . . S
  S5 0.3274(2) -0.00296(18) 0.14780(17) 0.0469(4) Uani d . 1 . . S
  C1 -0.0376(8) -0.3162(7) 0.5820(6) 0.0349(12) Uani d . 1 . . C
  C2 0.5 0.0 0.5 0.074(4) Uani d S 1 . . C
  C3 0.3339(8) -0.2740(6) 0.8082(5) 0.0329(12) Uani d . 1 . . C
  C4 -0.2041(7) 0.6233(6) 0.0602(6) 0.0338(12) Uani d . 1 . . C
  C5 0.3252(7) -0.1900(7) 0.1661(6) 0.0335(12) Uani d . 1 . . C
  N1 0.1387(7) 0.3846(6) 0.3448(5) 0.0442(12) Uani d . 1 . . N
  N2 0.4121(4) 0.1170(4) 0.5598(3) 0.0596(7) Uani d P 0.5 . . N
  N3 0.5344(7) 0.3466(6) 0.2167(6) 0.0457(13) Uani d . 1 . . N
  N4 0.2276(8) 0.4173(6) 0.0319(5) 0.0456(13) Uani d . 1 . . N
  N5 0.3257(7) -0.3198(6) 0.1804(5) 0.0402(11) Uani d . 1 . . N
loop_
_atom_site_aniso_label
_atom_site_aniso_U_11
_atom_site_aniso_U_22
_atom_site_aniso_U_33
_atom_site_aniso_U_12
_atom_site_aniso_U_13
_atom_site_aniso_U_23
  Ag1 0.0619(4) 0.0484(4) 0.0718(4) -0.0063(3) -0.0183(3) 0.0190(3)
  Ag2 0.0848(5) 0.0307(3) 0.0796(4) -0.0063(3) -0.0279(3) -0.0101(3)
  Cs1 0.0836(6) 0.1100(7) 0.0793(6) 0.0527(5) -0.0427(4) -0.0547(5)
  Zn1 0.0422(4) 0.0268(3) 0.0321(4) -0.0070(3) -0.0046(3) -0.0019(3)
  S1 0.0357(8) 0.0391(9) 0.0421(8) -0.0002(6) 0.0049(6) 0.0012(7)
  S2 0.0555(17) 0.0480(17) 0.074(2) -0.0114(13) 0.0003(14) -0.0092(15)
  S3 0.0362(7) 0.0326(8) 0.0389(8) -0.0064(6) -0.0007(6) -0.0028(6)
  S4 0.0600(10) 0.0336(8) 0.0403(8) 0.0023(7) -0.0182(7) -0.0085(6)
  S5 0.0610(10) 0.0256(8) 0.0545(10) -0.0024(7) -0.0081(8) -0.0084(7)
  C1 0.040(3) 0.027(3) 0.035(3) 0.002(2) -0.005(2) -0.001(2)
  C2 0.101(9) 0.075(9) 0.051(6) -0.053(8) -0.030(6) 0.015(6)
  C3 0.041(3) 0.023(3) 0.033(3) -0.008(2) -0.005(2) 0.001(2)
  C4 0.034(3) 0.025(3) 0.040(3) -0.004(2) -0.005(2) -0.002(2)
  C5 0.033(3) 0.031(3) 0.036(3) -0.003(2) -0.002(2) -0.007(2)
  N1 0.050(3) 0.032(3) 0.042(3) -0.004(2) -0.005(2) 0.010(2)
  N2 0.0555(17) 0.0480(17) 0.074(2) -0.0114(13) 0.0003(14) -0.0092(15)
  N3 0.045(3) 0.035(3) 0.054(3) 0.001(2) -0.004(2) -0.004(2)
  N4 0.061(3) 0.035(3) 0.042(3) -0.010(3) -0.007(2) -0.008(2)
  N5 0.043(3) 0.029(3) 0.047(3) -0.005(2) -0.001(2) -0.003(2)
loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_site_symmetry_2
_geom_bond_distance
_geom_bond_publ_flag
  Ag1 S1 2_556 2.5399(17) yes
  Ag1 S2 . 2.541(3) yes
  Ag1 S3 . 2.5443(16) yes
  Ag1 S1 . 2.8505(19) yes
  Ag1 Ag2 1_556 3.3121(9) no
  Ag2 S4 2_565 2.5286(17) yes
  Ag2 S3 1_554 2.5752(16) yes
  Ag2 S5 . 2.7217(19) yes
  Ag2 S5 2_655 2.7938(19) yes
  Ag2 Ag1 1_554 3.3121(9) no
  Cs1 N2 2_666 3.480(3) yes
  Cs1 S2 2_666 3.480(3) no
  Cs1 S2 . 3.480(3) yes
  Cs1 N3 2_666 3.512(6) yes
  Cs1 N3 . 3.512(6) yes
  Cs1 S1 1_565 3.6262(15) yes
  Cs1 S1 2_656 3.6262(15) yes
  Cs1 N1 2_666 3.701(6) yes
  Cs1 N1 . 3.701(6) yes
  Cs1 N5 1_565 3.748(5) yes
  Cs1 N5 2_656 3.748(5) yes
  Zn1 N4 . 1.931(5) yes
  Zn1 N5 1_565 1.954(5) yes
  Zn1 N1 . 1.956(5) yes
  Zn1 N3 . 2.006(5) yes
  S1 C1 . 1.649(6) yes
  S1 Ag1 2_556 2.5399(17) no
  S1 Cs1 1_545 3.6262(15) no
  S2 C2 . 1.389(3) yes
  S3 C3 . 1.646(6) yes
  S3 Ag2 1_556 2.5752(16) no
  S4 C4 . 1.634(6) yes
  S4 Ag2 2_565 2.5286(17) no
  S4 Cs1 1_455 4.0494(18) no
  S5 C5 . 1.643(6) yes
  S5 Ag2 2_655 2.7938(19) no
  C1 N1 2_556 1.153(8) yes
  C2 N2 2_656 1.389(3) yes
  C2 S2 2_656 1.389(3) no
  C3 N3 2_656 1.150(7) yes
  C4 N4 2_565 1.147(8) yes
  C5 N5 . 1.138(7) yes
  N1 C1 2_556 1.153(8) no
  N3 C3 2_656 1.150(7) no
  N4 C4 2_565 1.147(8) no
  N5 Zn1 1_545 1.954(5) no
  N5 Cs1 1_545 3.748(5) no