metal-organic compounds
In the title compound, poly[μ4-hexafluorosilicato-bis[acetonitrilesilver(I)]], [Ag2(SiF6)(CH3CN)2]n, the Ag atom is bonded to acetonitrile and four F atoms of three different SiF62− ions. The cations are linked via the SiF62− counter-ion by secondary AgF interactions, leading to a five-coordinated Ag atom.
Supporting information
Crystallographic Information File (CIF) https://doi.org/10.1107/S1600536806037020/bt2180sup1.cif | |
Structure factor file (CIF format) https://doi.org/10.1107/S1600536806037020/bt2180Isup2.hkl |
CCDC reference: 613560
Computing details top
Data collection: CrysAlis CCD (Oxford Diffraction, 2005); cell refinement: CrysAlis RED (Oxford Diffraction, 2005); data reduction: CrysAlis RED; program(s) used to solve structure: SHELXS97 (Sheldrick, 1997); program(s) used to refine structure: SHELXL97 (Sheldrick, 1997); molecular graphics: DIAMOND (Brandenburg, 1996); software used to prepare material for publication: SHELXL97.
poly[µ4-hexafluorosilicato-bis[acetonitrilesilver(I)]] top
Crystal data top
[Ag2(SiF6)(C2H3N)2] | F(000) = 412 |
Mr = 439.94 | Dx = 2.863 (1) Mg m−3 |
Monoclinic, P21/c | Mo Kα radiation, λ = 0.71073 Å |
Hall symbol: -P 2ybc | Cell parameters from 753 reflections |
a = 8.8952 (14) Å | θ = 4.1–27.5° |
b = 5.6792 (9) Å | µ = 4.01 mm−1 |
c = 10.1049 (18) Å | T = 200 K |
β = 91.378 (14)° | Block, colourless |
V = 510.33 (15) Å3 | 0.19 × 0.15 × 0.08 mm |
Z = 2 |
Data collection top
Oxford Xcalibur3 CCD area-detector diffractometer | 991 independent reflections |
Radiation source: fine-focus sealed tube | 919 reflections with I > 2σ(I) |
Graphite monochromator | Rint = 0.099 |
Detector resolution: 15.9809 pixels mm-1 | θmax = 26.0°, θmin = 4.1° |
ω scans | h = −7→7 |
Absorption correction: multi-scan (ABSPACK; Oxford Diffraction, 2005) | k = −11→11 |
Tmin = 0.458, Tmax = 0.723 | l = −13→13 |
4849 measured reflections |
Refinement top
Refinement on F2 | Primary atom site location: structure-invariant direct methods |
Least-squares matrix: full | Secondary atom site location: difference Fourier map |
R[F2 > 2σ(F2)] = 0.045 | Hydrogen site location: inferred from neighbouring sites |
wR(F2) = 0.117 | All H-atom parameters refined |
S = 1.12 | w = 1/[σ2(Fo2) + (0.0776P)2] where P = (Fo2 + 2Fc2)/3 |
991 reflections | (Δ/σ)max = 0.024 |
82 parameters | Δρmax = 1.83 e Å−3 |
3 restraints | Δρmin = −1.23 e Å−3 |
Fractional atomic coordinates and isotropic or equivalent isotropic displacement parameters (Å2) top
x | y | z | Uiso*/Ueq | ||
F3 | 0.3205 (4) | 0.0594 (6) | 0.9755 (4) | 0.0419 (8) | |
C1 | −0.0144 (8) | −0.4740 (8) | 0.8342 (6) | 0.0300 (13) | |
N1 | 0.1114 (6) | −0.4732 (7) | 0.8337 (5) | 0.0331 (11) | |
C2 | −0.1768 (10) | −0.4804 (10) | 0.8337 (7) | 0.0315 (13) | |
F1 | 0.5046 (3) | −0.1194 (5) | 0.8482 (2) | 0.0414 (8) | |
F2 | 0.4542 (3) | −0.2635 (5) | 1.0616 (3) | 0.0398 (7) | |
H2C | −0.200 (10) | −0.357 (19) | 0.880 (9) | 0.09 (3)* | |
H2A | −0.204 (9) | −0.612 (17) | 0.875 (8) | 0.06 (2)* | |
H2B | −0.222 (8) | −0.469 (8) | 0.756 (8) | 0.036 (19)* | |
Ag1 | 0.35616 (4) | −0.48715 (6) | 0.83934 (4) | 0.0310 (3) | |
Si1 | 0.5000 | 0.0000 | 1.0000 | 0.0172 (5) |
Atomic displacement parameters (Å2) top
U11 | U22 | U33 | U12 | U13 | U23 | |
F3 | 0.0228 (16) | 0.0516 (16) | 0.051 (2) | 0.0039 (15) | −0.0041 (13) | −0.0053 (18) |
C1 | 0.031 (4) | 0.031 (3) | 0.028 (3) | 0.0009 (18) | 0.003 (2) | 0.0002 (17) |
N1 | 0.020 (3) | 0.042 (3) | 0.037 (3) | 0.0004 (15) | −0.0014 (18) | 0.0025 (16) |
C2 | 0.025 (3) | 0.038 (3) | 0.031 (3) | −0.0004 (19) | 0.003 (2) | −0.0023 (19) |
F1 | 0.0505 (17) | 0.0469 (18) | 0.0271 (14) | −0.0173 (14) | 0.0104 (12) | −0.0115 (12) |
F2 | 0.0487 (16) | 0.0281 (15) | 0.0421 (16) | −0.0069 (12) | −0.0058 (13) | 0.0099 (12) |
Ag1 | 0.0200 (4) | 0.0348 (4) | 0.0381 (4) | 0.00018 (11) | −0.0002 (2) | −0.00335 (12) |
Si1 | 0.0152 (12) | 0.0186 (10) | 0.0178 (9) | 0.0003 (4) | 0.0013 (8) | 0.0001 (4) |
Geometric parameters (Å, º) top
F3—Si1 | 1.645 (3) | F1—Ag1 | 2.471 (3) |
C1—N1 | 1.119 (9) | F2—Si1 | 1.675 (3) |
C1—C2 | 1.445 (11) | F2—Ag1ii | 2.402 (3) |
N1—Ag1 | 2.178 (5) | Ag1—F2ii | 2.402 (3) |
C2—H2C | 0.87 (11) | Ag1—F1iii | 2.409 (3) |
C2—H2A | 0.89 (10) | Si1—F3iv | 1.645 (3) |
C2—H2B | 0.88 (8) | Si1—F2iv | 1.675 (3) |
F1—Si1 | 1.678 (2) | Si1—F1iv | 1.678 (2) |
F1—Ag1i | 2.409 (3) | ||
N1—C1—C2 | 178.7 (6) | F1iii—Ag1—F1 | 90.44 (7) |
C1—N1—Ag1 | 177.1 (4) | F3—Si1—F3iv | 180.000 (1) |
C1—C2—H2C | 103 (6) | F3—Si1—F2iv | 90.27 (16) |
C1—C2—H2A | 107 (5) | F3iv—Si1—F2iv | 89.73 (16) |
H2C—C2—H2A | 111 (10) | F3—Si1—F2 | 89.73 (16) |
C1—C2—H2B | 116 (5) | F3iv—Si1—F2 | 90.27 (16) |
H2C—C2—H2B | 108 (7) | F2iv—Si1—F2 | 180.000 (1) |
H2A—C2—H2B | 111 (7) | F3—Si1—F1iv | 90.54 (16) |
Si1—F1—Ag1i | 128.11 (14) | F3iv—Si1—F1iv | 89.46 (16) |
Si1—F1—Ag1 | 110.48 (12) | F2iv—Si1—F1iv | 89.43 (13) |
Ag1i—F1—Ag1 | 121.29 (10) | F2—Si1—F1iv | 90.57 (13) |
Si1—F2—Ag1ii | 120.47 (13) | F3—Si1—F1 | 89.46 (16) |
N1—Ag1—F2ii | 136.36 (13) | F3iv—Si1—F1 | 90.54 (16) |
N1—Ag1—F1iii | 121.55 (15) | F2iv—Si1—F1 | 90.57 (13) |
F2ii—Ag1—F1iii | 76.99 (9) | F2—Si1—F1 | 89.43 (13) |
N1—Ag1—F1 | 120.21 (13) | F1iv—Si1—F1 | 180.000 (1) |
F2ii—Ag1—F1 | 96.53 (10) | ||
C2—C1—N1—Ag1 | −59 (37) | Ag1ii—F2—Si1—F1iv | −82.31 (18) |
C1—N1—Ag1—F2ii | 2 (10) | Ag1ii—F2—Si1—F1 | 97.69 (18) |
C1—N1—Ag1—F1iii | 107 (10) | Ag1i—F1—Si1—F3 | 115.5 (2) |
C1—N1—Ag1—F1 | −141 (10) | Ag1—F1—Si1—F3 | −68.41 (18) |
Si1—F1—Ag1—N1 | 74.7 (2) | Ag1i—F1—Si1—F3iv | −64.5 (2) |
Ag1i—F1—Ag1—N1 | −108.91 (19) | Ag1—F1—Si1—F3iv | 111.59 (18) |
Si1—F1—Ag1—F2ii | −80.72 (16) | Ag1i—F1—Si1—F2iv | 25.3 (2) |
Ag1i—F1—Ag1—F2ii | 95.64 (14) | Ag1—F1—Si1—F2iv | −158.67 (15) |
Si1—F1—Ag1—F1iii | −157.68 (17) | Ag1i—F1—Si1—F2 | −154.7 (2) |
Ag1i—F1—Ag1—F1iii | 18.68 (11) | Ag1—F1—Si1—F2 | 21.33 (15) |
Ag1ii—F2—Si1—F3 | −172.85 (19) | Ag1i—F1—Si1—F1iv | −69 (100) |
Ag1ii—F2—Si1—F3iv | 7.15 (19) | Ag1—F1—Si1—F1iv | 107 (100) |
Ag1ii—F2—Si1—F2iv | 21 (100) |
Symmetry codes: (i) −x+1, y+1/2, −z+3/2; (ii) −x+1, −y−1, −z+2; (iii) −x+1, y−1/2, −z+3/2; (iv) −x+1, −y, −z+2. |