Buy article online - an online subscription or single-article purchase is required to access this article.
Download citation
Download citation
link to html
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.

Supporting information

cif

Crystallographic Information File (CIF) https://doi.org/10.1107/S1600536806037020/bt2180sup1.cif
Contains datablocks I, global

hkl

Structure factor file (CIF format) https://doi.org/10.1107/S1600536806037020/bt2180Isup2.hkl
Contains datablock I

CCDC reference: 613560

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

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 = 439.94Dx = 2.863 (1) Mg m3
Monoclinic, P21/cMo Kα radiation, λ = 0.71073 Å
Hall symbol: -P 2ybcCell parameters from 753 reflections
a = 8.8952 (14) Åθ = 4.1–27.5°
b = 5.6792 (9) ŵ = 4.01 mm1
c = 10.1049 (18) ÅT = 200 K
β = 91.378 (14)°Block, colourless
V = 510.33 (15) Å30.19 × 0.15 × 0.08 mm
Z = 2
Data collection top
Oxford Xcalibur3 CCD area-detector
diffractometer
991 independent reflections
Radiation source: fine-focus sealed tube919 reflections with I > 2σ(I)
Graphite monochromatorRint = 0.099
Detector resolution: 15.9809 pixels mm-1θmax = 26.0°, θmin = 4.1°
ω scansh = 77
Absorption correction: multi-scan
(ABSPACK; Oxford Diffraction, 2005)
k = 1111
Tmin = 0.458, Tmax = 0.723l = 1313
4849 measured reflections
Refinement top
Refinement on F2Primary atom site location: structure-invariant direct methods
Least-squares matrix: fullSecondary atom site location: difference Fourier map
R[F2 > 2σ(F2)] = 0.045Hydrogen site location: inferred from neighbouring sites
wR(F2) = 0.117All 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 parametersΔρmax = 1.83 e Å3
3 restraintsΔρmin = 1.23 e Å3
Fractional atomic coordinates and isotropic or equivalent isotropic displacement parameters (Å2) top
xyzUiso*/Ueq
F30.3205 (4)0.0594 (6)0.9755 (4)0.0419 (8)
C10.0144 (8)0.4740 (8)0.8342 (6)0.0300 (13)
N10.1114 (6)0.4732 (7)0.8337 (5)0.0331 (11)
C20.1768 (10)0.4804 (10)0.8337 (7)0.0315 (13)
F10.5046 (3)0.1194 (5)0.8482 (2)0.0414 (8)
F20.4542 (3)0.2635 (5)1.0616 (3)0.0398 (7)
H2C0.200 (10)0.357 (19)0.880 (9)0.09 (3)*
H2A0.204 (9)0.612 (17)0.875 (8)0.06 (2)*
H2B0.222 (8)0.469 (8)0.756 (8)0.036 (19)*
Ag10.35616 (4)0.48715 (6)0.83934 (4)0.0310 (3)
Si10.50000.00001.00000.0172 (5)
Atomic displacement parameters (Å2) top
U11U22U33U12U13U23
F30.0228 (16)0.0516 (16)0.051 (2)0.0039 (15)0.0041 (13)0.0053 (18)
C10.031 (4)0.031 (3)0.028 (3)0.0009 (18)0.003 (2)0.0002 (17)
N10.020 (3)0.042 (3)0.037 (3)0.0004 (15)0.0014 (18)0.0025 (16)
C20.025 (3)0.038 (3)0.031 (3)0.0004 (19)0.003 (2)0.0023 (19)
F10.0505 (17)0.0469 (18)0.0271 (14)0.0173 (14)0.0104 (12)0.0115 (12)
F20.0487 (16)0.0281 (15)0.0421 (16)0.0069 (12)0.0058 (13)0.0099 (12)
Ag10.0200 (4)0.0348 (4)0.0381 (4)0.00018 (11)0.0002 (2)0.00335 (12)
Si10.0152 (12)0.0186 (10)0.0178 (9)0.0003 (4)0.0013 (8)0.0001 (4)
Geometric parameters (Å, º) top
F3—Si11.645 (3)F1—Ag12.471 (3)
C1—N11.119 (9)F2—Si11.675 (3)
C1—C21.445 (11)F2—Ag1ii2.402 (3)
N1—Ag12.178 (5)Ag1—F2ii2.402 (3)
C2—H2C0.87 (11)Ag1—F1iii2.409 (3)
C2—H2A0.89 (10)Si1—F3iv1.645 (3)
C2—H2B0.88 (8)Si1—F2iv1.675 (3)
F1—Si11.678 (2)Si1—F1iv1.678 (2)
F1—Ag1i2.409 (3)
N1—C1—C2178.7 (6)F1iii—Ag1—F190.44 (7)
C1—N1—Ag1177.1 (4)F3—Si1—F3iv180.000 (1)
C1—C2—H2C103 (6)F3—Si1—F2iv90.27 (16)
C1—C2—H2A107 (5)F3iv—Si1—F2iv89.73 (16)
H2C—C2—H2A111 (10)F3—Si1—F289.73 (16)
C1—C2—H2B116 (5)F3iv—Si1—F290.27 (16)
H2C—C2—H2B108 (7)F2iv—Si1—F2180.000 (1)
H2A—C2—H2B111 (7)F3—Si1—F1iv90.54 (16)
Si1—F1—Ag1i128.11 (14)F3iv—Si1—F1iv89.46 (16)
Si1—F1—Ag1110.48 (12)F2iv—Si1—F1iv89.43 (13)
Ag1i—F1—Ag1121.29 (10)F2—Si1—F1iv90.57 (13)
Si1—F2—Ag1ii120.47 (13)F3—Si1—F189.46 (16)
N1—Ag1—F2ii136.36 (13)F3iv—Si1—F190.54 (16)
N1—Ag1—F1iii121.55 (15)F2iv—Si1—F190.57 (13)
F2ii—Ag1—F1iii76.99 (9)F2—Si1—F189.43 (13)
N1—Ag1—F1120.21 (13)F1iv—Si1—F1180.000 (1)
F2ii—Ag1—F196.53 (10)
C2—C1—N1—Ag159 (37)Ag1ii—F2—Si1—F1iv82.31 (18)
C1—N1—Ag1—F2ii2 (10)Ag1ii—F2—Si1—F197.69 (18)
C1—N1—Ag1—F1iii107 (10)Ag1i—F1—Si1—F3115.5 (2)
C1—N1—Ag1—F1141 (10)Ag1—F1—Si1—F368.41 (18)
Si1—F1—Ag1—N174.7 (2)Ag1i—F1—Si1—F3iv64.5 (2)
Ag1i—F1—Ag1—N1108.91 (19)Ag1—F1—Si1—F3iv111.59 (18)
Si1—F1—Ag1—F2ii80.72 (16)Ag1i—F1—Si1—F2iv25.3 (2)
Ag1i—F1—Ag1—F2ii95.64 (14)Ag1—F1—Si1—F2iv158.67 (15)
Si1—F1—Ag1—F1iii157.68 (17)Ag1i—F1—Si1—F2154.7 (2)
Ag1i—F1—Ag1—F1iii18.68 (11)Ag1—F1—Si1—F221.33 (15)
Ag1ii—F2—Si1—F3172.85 (19)Ag1i—F1—Si1—F1iv69 (100)
Ag1ii—F2—Si1—F3iv7.15 (19)Ag1—F1—Si1—F1iv107 (100)
Ag1ii—F2—Si1—F2iv21 (100)
Symmetry codes: (i) x+1, y+1/2, z+3/2; (ii) x+1, y1, z+2; (iii) x+1, y1/2, z+3/2; (iv) x+1, y, z+2.
 

Subscribe to Acta Crystallographica Section E: Crystallographic Communications

The full text of this article is available to subscribers to the journal.

If you have already registered and are using a computer listed in your registration details, please email support@iucr.org for assistance.

Buy online

You may purchase this article in PDF and/or HTML formats. For purchasers in the European Community who do not have a VAT number, VAT will be added at the local rate. Payments to the IUCr are handled by WorldPay, who will accept payment by credit card in several currencies. To purchase the article, please complete the form below (fields marked * are required), and then click on `Continue'.
E-mail address* 
Repeat e-mail address* 
(for error checking) 

Format*   PDF (US $40)
   HTML (US $40)
   PDF+HTML (US $50)
In order for VAT to be shown for your country javascript needs to be enabled.

VAT number 
(non-UK EC countries only) 
Country* 
 

Terms and conditions of use
Contact us

Follow Acta Cryst. E
Sign up for e-alerts
Follow Acta Cryst. on Twitter
Follow us on facebook
Sign up for RSS feeds