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The title compound, {[Ag(C6H18N4)](ClO4)}n, is a polymeric silver(I) complex. The tris(2-amino­ethyl)­amine (tren) mol­ecule acts as tridentate ligand. Each AgI ion is four-coordinated by three N atoms from one tren ligand and one N atom from a symmetry-related tren ligand. The symmetry-related tren ligand acts as a bridge linking the AgI atoms together, forming a polymeric chain. Adjacent chains are linked via N—H...O hydrogen bonds to anions, forming a three-dimensional network.

Supporting information

cif

Crystallographic Information File (CIF) https://doi.org/10.1107/S160053680403168X/ci6493sup1.cif
Contains datablocks global, I

hkl

Structure factor file (CIF format) https://doi.org/10.1107/S160053680403168X/ci6493Isup2.hkl
Contains datablock I

CCDC reference: 262236

Key indicators

  • Single-crystal X-ray study
  • T = 293 K
  • Mean [sigma](C-C) = 0.011 Å
  • R factor = 0.036
  • wR factor = 0.092
  • Data-to-parameter ratio = 12.2

checkCIF/PLATON results

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Alert level C PLAT241_ALERT_2_C Check High Ueq as Compared to Neighbors for N3 PLAT242_ALERT_2_C Check Low Ueq as Compared to Neighbors for Cl1 PLAT301_ALERT_3_C Main Residue Disorder ......................... 10.00 Perc. PLAT342_ALERT_3_C Low Bond Precision on C-C bonds (x 1000) Ang ... 11 PLAT420_ALERT_2_C D-H Without Acceptor N3 - H3N1 ... ? PLAT720_ALERT_4_C Number of Unusual/Non-Standard Label(s) ........ 6
Alert level G REFLT03_ALERT_4_G Please check that the estimate of the number of Friedel pairs is correct. If it is not, please give the correct count in the _publ_section_exptl_refinement section of the submitted CIF. From the CIF: _diffrn_reflns_theta_max 25.03 From the CIF: _reflns_number_total 2213 Count of symmetry unique reflns 1162 Completeness (_total/calc) 190.45% TEST3: Check Friedels for noncentro structure Estimate of Friedel pairs measured 1051 Fraction of Friedel pairs measured 0.904 Are heavy atom types Z>Si present yes
0 ALERT level A = In general: serious problem 0 ALERT level B = Potentially serious problem 6 ALERT level C = Check and explain 1 ALERT level G = General alerts; check 0 ALERT type 1 CIF construction/syntax error, inconsistent or missing data 3 ALERT type 2 Indicator that the structure model may be wrong or deficient 2 ALERT type 3 Indicator that the structure quality may be low 2 ALERT type 4 Improvement, methodology, query or suggestion

Computing details top

Data collection: SMART (Siemens, 1996); cell refinement: SMART; data reduction: SAINT (Siemens, 1996); program(s) used to solve structure: SHELXS97 (Sheldrick, 1997a); program(s) used to refine structure: SHELXL97 (Sheldrick, 1997a); molecular graphics: SHELXTL (Sheldrick, 1997b); software used to prepare material for publication: SHELXTL.

catena-Poly[[silver(I)-µ-tris(2-aminoethyl)amine-κ4N,N',N'':N'''] perchlorate] top
Crystal data top
[Ag(C6H18N4)](ClO4)F(000) = 712
Mr = 353.56Dx = 1.875 Mg m3
Orthorhombic, Pna21Mo Kα radiation, λ = 0.71073 Å
Hall symbol: P 2c -2nCell parameters from 6726 reflections
a = 10.352 (2) Åθ = 4.5–25.0°
b = 8.7608 (18) ŵ = 1.83 mm1
c = 13.811 (3) ÅT = 293 K
V = 1252.5 (4) Å3Prism, colourless
Z = 40.20 × 0.12 × 0.07 mm
Data collection top
Bruker SMART CCD area-detector
diffractometer
2213 independent reflections
Radiation source: fine-focus sealed tube1763 reflections with I > 2σ(I)
Graphite monochromatorRint = 0.048
φ and ω scansθmax = 25.0°, θmin = 2.8°
Absorption correction: multi-scan
(SADABS; Sheldrick, 1996)
h = 1212
Tmin = 0.711, Tmax = 0.883k = 107
6235 measured reflectionsl = 1616
Refinement top
Refinement on F2Secondary atom site location: difference Fourier map
Least-squares matrix: fullHydrogen site location: inferred from neighbouring sites
R[F2 > 2σ(F2)] = 0.036H-atom parameters constrained
wR(F2) = 0.092 w = 1/[σ2(Fo2) + (0.0511P)2]
where P = (Fo2 + 2Fc2)/3
S = 0.95(Δ/σ)max = 0.001
2213 reflectionsΔρmax = 0.60 e Å3
182 parametersΔρmin = 0.36 e Å3
143 restraintsAbsolute structure: Flack (1983); 1052 Friedel pairs
Primary atom site location: structure-invariant direct methodsAbsolute structure parameter: 0.02 (6)
Special details top

Geometry. All e.s.d.'s (except the e.s.d. in the dihedral angle between two l.s. planes) are estimated using the full covariance matrix. The cell e.s.d.'s are taken into account individually in the estimation of e.s.d.'s in distances, angles and torsion angles; correlations between e.s.d.'s in cell parameters are only used when they are defined by crystal symmetry. An approximate (isotropic) treatment of cell e.s.d.'s is used for estimating e.s.d.'s involving l.s. planes.

Refinement. Refinement of F2 against ALL reflections. The weighted R-factor wR and goodness of fit S are based on F2, conventional R-factors R are based on F, with F set to zero for negative F2. The threshold expression of F2 > σ(F2) is used only for calculating R-factors(gt) etc. and is not relevant to the choice of reflections for refinement. R-factors based on F2 are statistically about twice as large as those based on F, and R- factors based on ALL data will be even larger.

Fractional atomic coordinates and isotropic or equivalent isotropic displacement parameters (Å2) top
xyzUiso*/UeqOcc. (<1)
Ag10.58193 (5)1.01854 (5)0.49999 (8)0.0550 (2)
Cl10.4698 (2)0.5228 (2)0.25806 (15)0.0575 (6)
O10.4648 (14)0.5107 (16)0.3589 (5)0.074 (5)0.596 (18)
O20.5746 (10)0.4330 (14)0.2213 (10)0.079 (5)0.596 (18)
O30.4792 (15)0.6733 (9)0.2258 (10)0.118 (6)0.596 (18)
O40.3542 (9)0.4547 (16)0.2164 (7)0.089 (5)0.596 (18)
O1'0.4622 (18)0.464 (2)0.3544 (7)0.074 (7)0.404 (18)
O2'0.5305 (18)0.4175 (17)0.1974 (13)0.104 (9)0.404 (18)
O3'0.5538 (14)0.6578 (14)0.2652 (12)0.071 (5)0.404 (18)
O4'0.3494 (10)0.571 (2)0.2261 (12)0.096 (7)0.404 (18)
N10.4956 (5)0.7695 (7)0.5219 (5)0.0569 (17)
H1N10.52020.71090.47650.068*
H1N20.52110.73230.57550.068*
N20.3531 (6)1.0337 (6)0.4389 (4)0.0391 (13)
N30.5990 (6)1.0839 (10)0.3329 (6)0.076 (2)
H3N10.61321.17900.32690.092*
H3N20.66151.03570.30720.092*
N40.2250 (5)1.3550 (7)0.5934 (5)0.0495 (15)
H4N10.26391.41950.62900.059*
H4N20.18331.29530.63050.059*
C10.3549 (7)0.7836 (8)0.5214 (6)0.051 (2)
H1A0.32660.83520.57980.062*
H1B0.31590.68300.52010.062*
C20.3128 (7)0.8740 (8)0.4332 (6)0.0511 (19)
H2A0.34970.82810.37560.061*
H2B0.21950.86890.42760.061*
C30.3649 (7)1.0984 (8)0.3414 (6)0.0515 (18)
H3A0.36981.20860.34680.062*
H3B0.28751.07410.30490.062*
C40.4792 (9)1.0434 (10)0.2856 (6)0.059 (2)
H4A0.47440.93330.27850.071*
H4B0.47771.08810.22140.071*
C50.2613 (6)1.1227 (6)0.4979 (8)0.0490 (15)
H5A0.22891.05880.54980.059*
H5B0.18841.15270.45810.059*
C60.3230 (7)1.2639 (8)0.5414 (5)0.0529 (19)
H6A0.39161.23450.58540.064*
H6B0.36051.32530.49010.064*
Atomic displacement parameters (Å2) top
U11U22U33U12U13U23
Ag10.0403 (3)0.0619 (4)0.0627 (4)0.0058 (2)0.0057 (4)0.0047 (8)
Cl10.0597 (18)0.0549 (14)0.0578 (13)0.0047 (11)0.0057 (14)0.0150 (14)
O10.115 (9)0.047 (7)0.059 (7)0.020 (6)0.000 (6)0.001 (5)
O20.063 (8)0.078 (8)0.096 (9)0.004 (6)0.007 (6)0.027 (7)
O30.151 (11)0.080 (8)0.122 (10)0.031 (7)0.021 (8)0.039 (7)
O40.068 (7)0.113 (10)0.086 (7)0.006 (6)0.008 (6)0.037 (6)
O1'0.105 (11)0.050 (10)0.068 (10)0.017 (8)0.001 (8)0.003 (7)
O2'0.104 (13)0.101 (12)0.108 (13)0.002 (10)0.012 (10)0.029 (9)
O3'0.073 (9)0.056 (8)0.082 (9)0.001 (6)0.009 (7)0.011 (7)
O4'0.070 (9)0.108 (12)0.109 (11)0.005 (8)0.013 (8)0.035 (9)
N10.063 (4)0.041 (3)0.066 (5)0.007 (3)0.001 (3)0.007 (3)
N20.032 (3)0.034 (3)0.052 (4)0.000 (2)0.001 (3)0.004 (3)
N30.057 (5)0.090 (5)0.082 (6)0.006 (4)0.016 (4)0.006 (5)
N40.046 (4)0.048 (4)0.055 (4)0.010 (3)0.001 (3)0.006 (3)
C10.049 (4)0.035 (4)0.069 (7)0.005 (3)0.011 (4)0.012 (3)
C20.037 (4)0.043 (5)0.073 (6)0.005 (3)0.003 (4)0.001 (4)
C30.048 (4)0.047 (4)0.059 (5)0.005 (4)0.007 (4)0.009 (4)
C40.069 (6)0.061 (5)0.047 (5)0.009 (4)0.009 (4)0.003 (3)
C50.038 (3)0.052 (4)0.057 (4)0.000 (3)0.007 (5)0.007 (6)
C60.044 (4)0.056 (5)0.059 (4)0.012 (4)0.006 (3)0.016 (3)
Geometric parameters (Å, º) top
Ag1—N4i2.255 (6)N3—H3N20.85
Ag1—N12.378 (6)N4—C61.477 (9)
Ag1—N32.384 (8)N4—Ag1ii2.255 (6)
Ag1—N22.519 (6)N4—H4N10.85
Cl1—O4'1.389 (8)N4—H4N20.85
Cl1—O2'1.396 (8)C1—C21.516 (9)
Cl1—O31.395 (7)C1—H1A0.97
Cl1—O11.398 (7)C1—H1B0.97
Cl1—O1'1.428 (8)C2—H2A0.97
Cl1—O21.433 (8)C2—H2B0.97
Cl1—O41.456 (8)C3—C41.492 (11)
Cl1—O3'1.471 (8)C3—H3A0.97
N1—C11.461 (8)C3—H3B0.97
N1—H1N10.85C4—H4A0.97
N1—H1N20.85C4—H4B0.97
N2—C21.462 (8)C5—C61.516 (10)
N2—C31.466 (9)C5—H5A0.97
N2—C51.475 (9)C5—H5B0.97
N3—C41.446 (10)C6—H6A0.97
N3—H3N10.85C6—H6B0.97
N4i—Ag1—N1128.7 (2)C6—N4—H4N2108.0
N4i—Ag1—N3112.8 (2)Ag1ii—N4—H4N2108.3
N1—Ag1—N3111.8 (3)H4N1—N4—H4N2107.4
N4i—Ag1—N2141.6 (2)N1—C1—C2109.6 (6)
N1—Ag1—N274.77 (18)N1—C1—H1A109.7
N3—Ag1—N274.5 (2)C2—C1—H1A109.7
O4'—Cl1—O2'114.5 (6)N1—C1—H1B109.8
O3—Cl1—O1113.1 (6)C2—C1—H1B109.9
O4'—Cl1—O1'110.9 (6)H1A—C1—H1B108.2
O2'—Cl1—O1'110.3 (6)N2—C2—C1112.0 (6)
O3—Cl1—O2110.7 (5)N2—C2—H2A109.2
O1—Cl1—O2109.9 (6)C1—C2—H2A109.3
O3—Cl1—O4108.5 (5)N2—C2—H2B109.4
O1—Cl1—O4109.4 (5)C1—C2—H2B109.0
O2—Cl1—O4104.9 (5)H2A—C2—H2B107.9
O4'—Cl1—O3'107.8 (6)N2—C3—C4114.6 (6)
O2'—Cl1—O3'107.8 (6)N2—C3—H3A108.6
O1'—Cl1—O3'105.0 (6)C4—C3—H3A108.7
C1—N1—Ag1107.2 (4)N2—C3—H3B108.9
C1—N1—H1N1110.2C4—C3—H3B108.4
Ag1—N1—H1N1110.3H3A—C3—H3B107.5
C1—N1—H1N2110.3N3—C4—C3111.6 (7)
Ag1—N1—H1N2110.2N3—C4—H4A109.5
H1N1—N1—H1N2108.5C3—C4—H4A109.5
C2—N2—C3110.2 (5)N3—C4—H4B109.1
C2—N2—C5110.6 (5)C3—C4—H4B109.2
C3—N2—C5110.9 (6)H4A—C4—H4B108.0
C2—N2—Ag1103.6 (4)N2—C5—C6112.3 (5)
C3—N2—Ag1104.4 (4)N2—C5—H5A109.0
C5—N2—Ag1116.6 (4)C6—C5—H5A108.9
C4—N3—Ag1108.3 (5)N2—C5—H5B109.3
C4—N3—H3N1110.2C6—C5—H5B109.4
Ag1—N3—H3N1110.0H5A—C5—H5B107.9
C4—N3—H3N2110.0N4—C6—C5110.1 (6)
Ag1—N3—H3N2109.9N4—C6—H6A110.0
H3N1—N3—H3N2108.4C5—C6—H6A109.9
C6—N4—Ag1ii116.0 (5)N4—C6—H6B109.3
C6—N4—H4N1108.4C5—C6—H6B109.4
Ag1ii—N4—H4N1108.4H6A—C6—H6B108.2
N4i—Ag1—N1—C1125.3 (5)Ag1—N1—C1—C250.5 (6)
N3—Ag1—N1—C186.0 (5)C3—N2—C2—C1154.6 (6)
N2—Ag1—N1—C120.1 (5)C5—N2—C2—C182.4 (8)
N4i—Ag1—N2—C2146.5 (5)Ag1—N2—C2—C143.3 (6)
N1—Ag1—N2—C212.1 (4)N1—C1—C2—N267.9 (8)
N3—Ag1—N2—C2106.3 (5)C2—N2—C3—C472.7 (8)
N4i—Ag1—N2—C398.1 (5)C5—N2—C3—C4164.5 (6)
N1—Ag1—N2—C3127.5 (4)Ag1—N2—C3—C438.0 (7)
N3—Ag1—N2—C39.1 (4)Ag1—N3—C4—C347.5 (8)
N4i—Ag1—N2—C524.7 (6)N2—C3—C4—N361.7 (9)
N1—Ag1—N2—C5109.7 (5)C2—N2—C5—C6155.5 (7)
N3—Ag1—N2—C5131.9 (5)C3—N2—C5—C681.9 (8)
N4i—Ag1—N3—C4159.7 (5)Ag1—N2—C5—C637.5 (8)
N1—Ag1—N3—C446.4 (6)Ag1ii—N4—C6—C572.5 (7)
N2—Ag1—N3—C419.7 (5)N2—C5—C6—N4175.7 (6)
Symmetry codes: (i) x+1/2, y+5/2, z; (ii) x1/2, y+5/2, z.
Hydrogen-bond geometry (Å, º) top
D—H···AD—HH···AD···AD—H···A
N4—H4N2···O4iii0.852.393.183 (16)156
N4—H4N2···O3iii0.852.393.216 (16)165
N4—H4N1···O2iv0.852.473.297 (15)165
N3—H3N2···O4v0.852.433.278 (17)173
N3—H3N2···O4v0.852.363.111 (12)148
N1—H1N2···O2vi0.852.202.937 (15)145
N1—H1N1···O10.852.463.211 (13)148
Symmetry codes: (iii) x+1/2, y+1/2, z+1/2; (iv) x+1, y+2, z+1/2; (v) x+1/2, y+3/2, z; (vi) x+1, y+1, z+1/2.
 

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