Bis[acetonitrilesilver(I)] hexa­fluoro­silicate

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 Ag...F inter­actions, leading to a five-coordinated Ag atom.

Key indicators

• Single-crystal X-ray study
• T = 200 K
• Mean [sigma](C-C) = 0.011 Å
• R factor = 0.045
• wR factor = 0.117
• Data-to-parameter ratio = 12.1

checkCIF/PLATON results

No syntax errors found



Alert level C
PLAT164_ALERT_4_C Nr. of Refined C-H H-Atoms in Heavy-At Struct...          3
PLAT241_ALERT_2_C Check High      Ueq as Compared to Neighbors for         F1
PLAT242_ALERT_2_C Check Low       Ueq as Compared to Neighbors for        Si1
PLAT342_ALERT_3_C Low Bond Precision on C-C bonds (x 1000) Ang ...         11
PLAT710_ALERT_4_C Delete 1-2-3 or 2-3-4 Linear Torsion Angle ... #          1
            C2  -C1  -N1  -AG1     6.00  0.00   1.555   1.555   1.555   1.555
PLAT710_ALERT_4_C Delete 1-2-3 or 2-3-4 Linear Torsion Angle ... #          2
            C1  -N1  -AG1 -F2      2.00 10.00   1.555   1.555   1.555   3.647
PLAT710_ALERT_4_C Delete 1-2-3 or 2-3-4 Linear Torsion Angle ... #          3
            C1  -N1  -AG1 -F1    107.00 10.00   1.555   1.555   1.555   2.646
PLAT710_ALERT_4_C Delete 1-2-3 or 2-3-4 Linear Torsion Angle ... #          4
            C1  -N1  -AG1 -F1   -141.00 10.00   1.555   1.555   1.555   1.555
PLAT710_ALERT_4_C Delete 1-2-3 or 2-3-4 Linear Torsion Angle ... #         13
            AG1 -F2  -SI1 -F2      2.00  0.00   3.647   1.555   1.555   3.657
PLAT710_ALERT_4_C Delete 1-2-3 or 2-3-4 Linear Torsion Angle ... #         24
            AG1 -F1  -SI1 -F1      7.00  0.00   2.656   1.555   1.555   3.657
PLAT710_ALERT_4_C Delete 1-2-3 or 2-3-4 Linear Torsion Angle ... #         25
            AG1 -F1  -SI1 -F1     11.00  0.00   1.555   1.555   1.555   3.657
PLAT764_ALERT_4_C Overcomplete CIF Bond List Detected (Rep/Expd) .       1.17 Ratio

Alert level G
REFLT03_ALERT_1_G ALERT: Expected hkl max differ from CIF values
           From the CIF: _diffrn_reflns_theta_max           25.99
           From the CIF: _reflns_number_total                991
           From the CIF: _diffrn_reflns_limit_ max hkl    7.   11.   13.
           From the CIF: _diffrn_reflns_limit_ min hkl   -7.  -11.  -13.
           TEST1: Expected hkl limits for theta max
           Calculated maximum hkl   10.    7.   12.
           Calculated minimum hkl  -10.   -7.  -12.

   0 ALERT level A = In general: serious problem
   0 ALERT level B = Potentially serious problem
  12 ALERT level C = Check and explain
   1 ALERT level G = General alerts; check

   1 ALERT type 1 CIF construction/syntax error, inconsistent or missing data
   2 ALERT type 2 Indicator that the structure model may be wrong or deficient
   1 ALERT type 3 Indicator that the structure quality may be low
   9 ALERT type 4 Improvement, methodology, query or suggestion
   0 ALERT type 5 Informative message, check

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Computing details

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)]]

Crystal data

[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) Å^3	0.19 × 0.15 × 0.08 mm
Z = 2

Data collection

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

Refinement on F^2	Primary atom site location: structure-invariant direct methods
Least-squares matrix: full	Secondary atom site location: difference Fourier map
R[F^2 > 2σ(F^2)] = 0.045	Hydrogen site location: inferred from neighbouring sites
wR(F^2) = 0.117	All H-atom parameters refined
S = 1.12	w = 1/[σ^2(Fo^2) + (0.0776P)^2] where P = (Fo^2 + 2Fc^2)/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 (Ų)

	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 (Ų)

	U^11	U^22	U^33	U^12	U^13	U^23
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)

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—Ag1^ii	2.402 (3)
N1—Ag1	2.178 (5)	Ag1—F2^ii	2.402 (3)
C2—H2C	0.87 (11)	Ag1—F1^iii	2.409 (3)
C2—H2A	0.89 (10)	Si1—F3^iv	1.645 (3)
C2—H2B	0.88 (8)	Si1—F2^iv	1.675 (3)
F1—Si1	1.678 (2)	Si1—F1^iv	1.678 (2)
F1—Ag1^i	2.409 (3)
N1—C1—C2	178.7 (6)	F1^iii—Ag1—F1	90.44 (7)
C1—N1—Ag1	177.1 (4)	F3—Si1—F3^iv	180.000 (1)
C1—C2—H2C	103 (6)	F3—Si1—F2^iv	90.27 (16)
C1—C2—H2A	107 (5)	F3^iv—Si1—F2^iv	89.73 (16)
H2C—C2—H2A	111 (10)	F3—Si1—F2	89.73 (16)
C1—C2—H2B	116 (5)	F3^iv—Si1—F2	90.27 (16)
H2C—C2—H2B	108 (7)	F2^iv—Si1—F2	180.000 (1)
H2A—C2—H2B	111 (7)	F3—Si1—F1^iv	90.54 (16)
Si1—F1—Ag1^i	128.11 (14)	F3^iv—Si1—F1^iv	89.46 (16)
Si1—F1—Ag1	110.48 (12)	F2^iv—Si1—F1^iv	89.43 (13)
Ag1^i—F1—Ag1	121.29 (10)	F2—Si1—F1^iv	90.57 (13)
Si1—F2—Ag1^ii	120.47 (13)	F3—Si1—F1	89.46 (16)
N1—Ag1—F2^ii	136.36 (13)	F3^iv—Si1—F1	90.54 (16)
N1—Ag1—F1^iii	121.55 (15)	F2^iv—Si1—F1	90.57 (13)
F2^ii—Ag1—F1^iii	76.99 (9)	F2—Si1—F1	89.43 (13)
N1—Ag1—F1	120.21 (13)	F1^iv—Si1—F1	180.000 (1)
F2^ii—Ag1—F1	96.53 (10)
C2—C1—N1—Ag1	−59 (37)	Ag1^ii—F2—Si1—F1^iv	−82.31 (18)
C1—N1—Ag1—F2^ii	2 (10)	Ag1^ii—F2—Si1—F1	97.69 (18)
C1—N1—Ag1—F1^iii	107 (10)	Ag1^i—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)	Ag1^i—F1—Si1—F3^iv	−64.5 (2)
Ag1^i—F1—Ag1—N1	−108.91 (19)	Ag1—F1—Si1—F3^iv	111.59 (18)
Si1—F1—Ag1—F2^ii	−80.72 (16)	Ag1^i—F1—Si1—F2^iv	25.3 (2)
Ag1^i—F1—Ag1—F2^ii	95.64 (14)	Ag1—F1—Si1—F2^iv	−158.67 (15)
Si1—F1—Ag1—F1^iii	−157.68 (17)	Ag1^i—F1—Si1—F2	−154.7 (2)
Ag1^i—F1—Ag1—F1^iii	18.68 (11)	Ag1—F1—Si1—F2	21.33 (15)
Ag1^ii—F2—Si1—F3	−172.85 (19)	Ag1^i—F1—Si1—F1^iv	−69 (100)
Ag1^ii—F2—Si1—F3^iv	7.15 (19)	Ag1—F1—Si1—F1^iv	107 (100)
Ag1^ii—F2—Si1—F2^iv	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.