Supporting information
Crystallographic Information File (CIF) https://doi.org/10.1107/S1600536805037013/cv6602sup1.cif | |
Structure factor file (CIF format) https://doi.org/10.1107/S1600536805037013/cv6602Isup2.hkl |
CCDC reference: 293875
Key indicators
- Single-crystal X-ray study
- T = 298 K
- Mean (C-C) = 0.005 Å
- Disorder in solvent or counterion
- R factor = 0.046
- wR factor = 0.102
- Data-to-parameter ratio = 18.1
checkCIF/PLATON results
No syntax errors found
Alert level C PLAT244_ALERT_4_C Low 'Solvent' Ueq as Compared to Neighbors for N1 PLAT302_ALERT_4_C Anion/Solvent Disorder ......................... 20.00 Perc.
0 ALERT level A = In general: serious problem 0 ALERT level B = Potentially serious problem 2 ALERT level C = Check and explain 0 ALERT level G = General alerts; check 0 ALERT type 1 CIF construction/syntax error, inconsistent or missing data 0 ALERT type 2 Indicator that the structure model may be wrong or deficient 0 ALERT type 3 Indicator that the structure quality may be low 2 ALERT type 4 Improvement, methodology, query or suggestion
Data collection: COLLECT (Nonius, 1998); cell refinement: DENZO-SMN (Otwinowski & Minor, 1997); data reduction: DENZO-SMN; program(s) used to solve structure: SIR97 (Altomare et al., 1999); program(s) used to refine structure: SHELXL97 (Sheldrick, 1997); molecular graphics: ORTEP-3 for Windows (Farrugia, 1997) and PLATON (Spek, 2003); software used to prepare material for publication: WinGX (Farrugia, 1999).
[Ag(C14H15N)2]NO3 | F(000) = 1160 |
Mr = 564.42 | Dx = 1.433 Mg m−3 |
Monoclinic, P21/c | Melting point: 408 K |
Hall symbol: -P 2ybc | Mo Kα radiation, λ = 0.71073 Å |
a = 12.034 (4) Å | Cell parameters from 6703 reflections |
b = 18.672 (8) Å | θ = 1.8–28.7° |
c = 12.218 (5) Å | µ = 0.80 mm−1 |
β = 107.67 (3)° | T = 298 K |
V = 2615.8 (18) Å3 | Prism, colourless |
Z = 4 | 0.35 × 0.23 × 0.19 mm |
Nonius KappaCCD area-detector diffractometer | 5979 independent reflections |
Radiation source: fine-focus sealed tube | 4939 reflections with I > 2σ(I) |
Graphite monochromator | Rint = 0.057 |
φ scans, and ω scans with κ offsets | θmax = 27.5°, θmin = 2.8° |
Absorption correction: multi-scan (SORTAV; Blessing, 1995) | h = −15→13 |
Tmin = 0.798, Tmax = 0.858 | k = −24→22 |
21322 measured reflections | l = −12→15 |
Refinement on F2 | 0 restraints |
Least-squares matrix: full | H atoms treated by a mixture of independent and constrained refinement |
R[F2 > 2σ(F2)] = 0.046 | w = 1/[σ2(Fo2) + (0.0346P)2 + 1.8327P] where P = (Fo2 + 2Fc2)/3 |
wR(F2) = 0.102 | (Δ/σ)max = 0.03 |
S = 1.13 | Δρmax = 0.51 e Å−3 |
5979 reflections | Δρmin = −0.44 e Å−3 |
330 parameters |
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. Weighted least-squares planes through the starred atoms (Nardelli, Musatti, Domiano & Andreetti Ric·Sci.(1965),15(II—A),807). Equation of the plane: m1*X+m2*Y+m3*Z=d Plane 1 m1 = -0.08731(0.00150) m2 = 0.59506(0.00121) m3 = -0.79892(0.00091) D = -8.22738(0.01148) Atom d s d/s (d/s)**2 C1 * -0.0064 0.0028 - 2.282 5.206 C2 * 0.0065 0.0032 2.069 4.282 C3 * 0.0004 0.0037 0.117 0.014 C4 * -0.0093 0.0041 - 2.281 5.205 C5 * 0.0063 0.0040 1.570 2.466 C6 * 0.0034 0.0034 0.994 0.988 ============ Sum((d/s)**2) for starred atoms 18.161 Chi-squared at 95% for 3 degrees of freedom: 7.81 The group of atoms deviates significantly from planarity Plane 2 m1 = -0.79230(0.00113) m2 = -0.52280(0.00154) m3 = -0.31455(0.00162) D = -6.87914(0.00778) Atom d s d/s (d/s)**2 C8 * -0.0008 0.0032 - 0.266 0.071 C9 * 0.0017 0.0039 0.437 0.191 C10 * -0.0002 0.0046 - 0.050 0.003 C11 * -0.0029 0.0049 - 0.586 0.343 C12 * 0.0033 0.0047 0.695 0.484 C13 * -0.0007 0.0040 - 0.183 0.034 ============ Sum((d/s)**2) for starred atoms 1.125 Chi-squared at 95% for 3 degrees of freedom: 7.81 The group of atoms does not deviate significantly from planarity Plane 3 m1 = 0.67196(0.00110) m2 = -0.40796(0.00133) m3 = -0.61809(0.00117) D = 1.52779(0.01681) Atom d s d/s (d/s)**2 C16 * 0.0027 0.0032 0.859 0.738 C17 * -0.0022 0.0035 - 0.632 0.400 C18 * -0.0011 0.0036 - 0.288 0.083 C19 * 0.0040 0.0040 0.998 0.996 C20 * -0.0027 0.0041 - 0.648 0.420 C21 * -0.0014 0.0036 - 0.383 0.147 ============ Sum((d/s)**2) for starred atoms 2.784 Chi-squared at 95% for 3 degrees of freedom: 7.81 The group of atoms does not deviate significantly from planarity Plane 4 m1 = -0.55485(0.00140) m2 = -0.73227(0.00112) m3 = -0.39486(0.00165) D = -11.69989(0.01459) Atom d s d/s (d/s)**2 C23 * -0.0013 0.0033 - 0.385 0.148 C24 * 0.0070 0.0034 2.065 4.263 C25 * -0.0090 0.0043 - 2.089 4.364 C26 * -0.0027 0.0045 - 0.586 0.343 C27 * 0.0130 0.0046 2.837 8.047 C28 * -0.0083 0.0041 - 2.020 4.080 ============ Sum((d/s)**2) for starred atoms 21.244 Chi-squared at 95% for 3 degrees of freedom: 7.81 The group of atoms deviates significantly from planarity Dihedral angles formed by LSQ-planes Plane - plane angle (s.u.) angle (s.u.) 1 2 89.46 (0.12) 90.54 (0.12) 1 3 78.91 (0.10) 101.09 (0.10) 1 4 85.88 (0.12) 94.12 (0.12) 2 3 82.84 (0.10) 97.16 (0.10) 2 4 18.80 (0.11) 161.20 (0.11) 3 4 80.21 (0.10) 99.79 (0.10) |
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. |
x | y | z | Uiso*/Ueq | Occ. (<1) | |
Ag | 0.80738 (2) | 0.143709 (13) | 0.682578 (19) | 0.04805 (9) | |
O1A | 0.643 (4) | 0.356 (2) | 0.700 (4) | 0.054 (10)* | 0.073 (2) |
O1B | 0.6873 (5) | 0.3782 (2) | 0.7216 (3) | 0.1041 (15) | 0.927 (2) |
O2 | 0.7399 (3) | 0.28978 (15) | 0.8365 (2) | 0.0807 (8) | |
O3 | 0.7795 (3) | 0.28998 (14) | 0.6754 (2) | 0.0739 (7) | |
N1 | 0.7335 (3) | 0.31915 (16) | 0.7425 (3) | 0.0623 (8) | |
N2 | 0.8790 (2) | 0.16271 (14) | 0.8665 (2) | 0.0444 (6) | |
N3 | 0.7339 (2) | 0.10243 (15) | 0.5093 (2) | 0.0441 (6) | |
C1 | 0.7644 (3) | 0.06150 (16) | 0.9039 (2) | 0.0451 (7) | |
C2 | 0.7430 (3) | 0.00280 (18) | 0.8323 (3) | 0.0514 (7) | |
H2 | 0.8011 | −0.0141 | 0.8031 | 0.073 (2)* | |
C3 | 0.6362 (4) | −0.0311 (2) | 0.8035 (3) | 0.0646 (9) | |
H3 | 0.6225 | −0.0709 | 0.7555 | 0.073 (2)* | |
C4 | 0.5502 (3) | −0.0061 (2) | 0.8456 (3) | 0.0715 (11) | |
H4 | 0.4785 | −0.0293 | 0.8272 | 0.073 (2)* | |
C5 | 0.5701 (3) | 0.0531 (2) | 0.9148 (3) | 0.0681 (10) | |
H5 | 0.5109 | 0.0706 | 0.9419 | 0.073 (2)* | |
C6 | 0.6760 (3) | 0.08694 (19) | 0.9446 (3) | 0.0583 (9) | |
H6 | 0.6887 | 0.127 | 0.9922 | 0.073 (2)* | |
C7 | 0.6131 (3) | 0.07751 (17) | 0.4927 (3) | 0.0519 (7) | |
H7A | 0.614 | 0.0367 | 0.5421 | 0.073 (2)* | |
H7B | 0.5782 | 0.0625 | 0.4137 | 0.073 (2)* | |
C8 | 0.5422 (3) | 0.13662 (16) | 0.5208 (3) | 0.0454 (7) | |
C9 | 0.5282 (3) | 0.1421 (2) | 0.6280 (3) | 0.0601 (9) | |
H9 | 0.5595 | 0.1071 | 0.6828 | 0.073 (2)* | |
C10 | 0.4685 (4) | 0.1986 (3) | 0.6552 (4) | 0.0759 (11) | |
H10 | 0.46 | 0.2015 | 0.7282 | 0.073 (2)* | |
C11 | 0.4215 (4) | 0.2506 (2) | 0.5760 (4) | 0.0842 (13) | |
H11 | 0.3814 | 0.289 | 0.5947 | 0.073 (2)* | |
C12 | 0.4343 (4) | 0.2454 (2) | 0.4687 (4) | 0.0808 (12) | |
H12 | 0.4021 | 0.2803 | 0.414 | 0.073 (2)* | |
C13 | 0.4944 (3) | 0.1892 (2) | 0.4412 (3) | 0.0624 (9) | |
H13 | 0.503 | 0.1865 | 0.3681 | 0.073 (2)* | |
C14 | 0.8816 (3) | 0.0981 (2) | 0.9365 (3) | 0.0586 (9) | |
H14A | 0.9039 | 0.1113 | 1.0171 | 0.073 (2)* | |
H14B | 0.9398 | 0.0651 | 0.9259 | 0.073 (2)* | |
C15 | 0.8064 (3) | 0.04808 (19) | 0.4736 (3) | 0.0577 (8) | |
H15A | 0.8712 | 0.0721 | 0.4576 | 0.073 (2)* | |
H15B | 0.7598 | 0.0257 | 0.4029 | 0.073 (2)* | |
C16 | 0.8535 (3) | −0.00909 (16) | 0.5616 (3) | 0.0454 (7) | |
C17 | 0.9608 (3) | 0.00042 (18) | 0.6442 (3) | 0.0518 (8) | |
H17 | 1.0017 | 0.0428 | 0.6454 | 0.073 (2)* | |
C18 | 1.0077 (3) | −0.05181 (19) | 0.7243 (3) | 0.0588 (9) | |
H18 | 1.0798 | −0.0446 | 0.7791 | 0.073 (2)* | |
C19 | 0.9482 (3) | −0.11443 (19) | 0.7234 (3) | 0.0624 (9) | |
H19 | 0.9802 | −0.1499 | 0.7771 | 0.073 (2)* | |
C20 | 0.8422 (4) | −0.12488 (18) | 0.6437 (3) | 0.0633 (9) | |
H20 | 0.8017 | −0.1673 | 0.6438 | 0.073 (2)* | |
C21 | 0.7945 (3) | −0.07253 (18) | 0.5627 (3) | 0.0568 (8) | |
H21 | 0.7222 | −0.0801 | 0.5085 | 0.073 (2)* | |
C22 | 0.9909 (3) | 0.20242 (18) | 0.9017 (3) | 0.0550 (8) | |
H22A | 1.0212 | 0.2028 | 0.9849 | 0.073 (2)* | |
H22B | 0.977 | 0.2516 | 0.8758 | 0.073 (2)* | |
C23 | 1.0803 (3) | 0.16979 (17) | 0.8533 (3) | 0.0482 (7) | |
C24 | 1.0822 (3) | 0.18840 (17) | 0.7448 (3) | 0.0533 (8) | |
H24 | 1.0284 | 0.2214 | 0.7022 | 0.073 (2)* | |
C25 | 1.1635 (4) | 0.1585 (2) | 0.6982 (4) | 0.0700 (10) | |
H25 | 1.1654 | 0.1722 | 0.6256 | 0.073 (2)* | |
C26 | 1.2416 (3) | 0.1083 (2) | 0.7608 (5) | 0.0782 (12) | |
H26 | 1.2961 | 0.0878 | 0.7303 | 0.073 (2)* | |
C27 | 1.2386 (3) | 0.0889 (2) | 0.8669 (5) | 0.0838 (14) | |
H27 | 1.2901 | 0.0543 | 0.9079 | 0.073 (2)* | |
C28 | 1.1599 (3) | 0.1200 (2) | 0.9146 (4) | 0.0673 (10) | |
H28 | 1.1606 | 0.1074 | 0.9884 | 0.073 (2)* | |
H29 | 0.729 (3) | 0.1354 (19) | 0.469 (3) | 0.056 (11)* | |
H30 | 0.832 (3) | 0.192 (2) | 0.875 (3) | 0.068 (12)* |
U11 | U22 | U33 | U12 | U13 | U23 | |
Ag | 0.05258 (15) | 0.05351 (16) | 0.03582 (13) | −0.00466 (11) | 0.01007 (10) | −0.00153 (10) |
O1B | 0.152 (4) | 0.065 (3) | 0.073 (2) | 0.052 (3) | 0.001 (3) | −0.009 (2) |
O2 | 0.126 (2) | 0.0577 (16) | 0.0675 (18) | 0.0244 (16) | 0.0433 (17) | 0.0010 (14) |
O3 | 0.108 (2) | 0.0571 (16) | 0.0614 (16) | 0.0176 (14) | 0.0335 (15) | 0.0028 (12) |
N1 | 0.074 (2) | 0.0469 (17) | 0.0557 (18) | 0.0123 (14) | 0.0051 (15) | −0.0088 (15) |
N2 | 0.0537 (15) | 0.0369 (14) | 0.0414 (14) | −0.0062 (12) | 0.0125 (12) | −0.0032 (11) |
N3 | 0.0593 (16) | 0.0388 (14) | 0.0337 (13) | 0.0045 (12) | 0.0134 (11) | 0.0035 (11) |
C1 | 0.0576 (17) | 0.0472 (17) | 0.0286 (14) | −0.0083 (14) | 0.0105 (13) | 0.0056 (13) |
C2 | 0.0638 (19) | 0.0489 (18) | 0.0419 (17) | 0.0015 (16) | 0.0169 (15) | 0.0036 (14) |
C3 | 0.083 (3) | 0.052 (2) | 0.051 (2) | −0.0160 (19) | 0.0090 (18) | 0.0016 (16) |
C4 | 0.064 (2) | 0.084 (3) | 0.062 (2) | −0.025 (2) | 0.0131 (19) | 0.018 (2) |
C5 | 0.065 (2) | 0.089 (3) | 0.061 (2) | −0.002 (2) | 0.0343 (19) | 0.013 (2) |
C6 | 0.081 (2) | 0.058 (2) | 0.0430 (18) | −0.0055 (18) | 0.0298 (17) | −0.0028 (15) |
C7 | 0.0568 (18) | 0.0471 (18) | 0.0442 (17) | −0.0002 (14) | 0.0037 (14) | −0.0052 (14) |
C8 | 0.0468 (16) | 0.0445 (17) | 0.0404 (16) | −0.0031 (13) | 0.0065 (13) | 0.0012 (13) |
C9 | 0.066 (2) | 0.067 (2) | 0.0457 (18) | −0.0020 (18) | 0.0148 (16) | 0.0054 (17) |
C10 | 0.082 (3) | 0.092 (3) | 0.062 (2) | −0.003 (2) | 0.035 (2) | −0.012 (2) |
C11 | 0.085 (3) | 0.071 (3) | 0.107 (4) | 0.016 (2) | 0.044 (3) | −0.009 (3) |
C12 | 0.088 (3) | 0.069 (3) | 0.086 (3) | 0.026 (2) | 0.028 (2) | 0.022 (2) |
C13 | 0.070 (2) | 0.067 (2) | 0.050 (2) | 0.0121 (18) | 0.0176 (17) | 0.0116 (17) |
C14 | 0.062 (2) | 0.065 (2) | 0.0402 (17) | −0.0167 (17) | 0.0033 (15) | 0.0105 (16) |
C15 | 0.077 (2) | 0.057 (2) | 0.0438 (18) | 0.0135 (17) | 0.0258 (16) | 0.0018 (15) |
C16 | 0.0586 (18) | 0.0413 (16) | 0.0405 (16) | 0.0087 (14) | 0.0212 (14) | −0.0052 (13) |
C17 | 0.0548 (18) | 0.0433 (17) | 0.061 (2) | 0.0004 (14) | 0.0233 (16) | −0.0058 (15) |
C18 | 0.0555 (19) | 0.056 (2) | 0.057 (2) | 0.0077 (16) | 0.0063 (16) | −0.0077 (17) |
C19 | 0.079 (2) | 0.0434 (19) | 0.060 (2) | 0.0163 (17) | 0.0125 (18) | 0.0015 (17) |
C20 | 0.083 (3) | 0.0304 (16) | 0.075 (2) | −0.0011 (16) | 0.022 (2) | −0.0071 (16) |
C21 | 0.0613 (19) | 0.0465 (19) | 0.057 (2) | 0.0009 (15) | 0.0096 (16) | −0.0167 (16) |
C22 | 0.063 (2) | 0.0497 (19) | 0.0493 (18) | −0.0183 (15) | 0.0126 (15) | −0.0134 (15) |
C23 | 0.0506 (17) | 0.0397 (16) | 0.0488 (18) | −0.0156 (13) | 0.0067 (14) | −0.0034 (14) |
C24 | 0.0610 (19) | 0.0382 (17) | 0.058 (2) | −0.0070 (14) | 0.0132 (16) | −0.0009 (14) |
C25 | 0.079 (3) | 0.065 (2) | 0.070 (3) | −0.016 (2) | 0.029 (2) | −0.012 (2) |
C26 | 0.053 (2) | 0.063 (3) | 0.116 (4) | −0.0077 (19) | 0.022 (2) | −0.019 (3) |
C27 | 0.047 (2) | 0.063 (3) | 0.125 (4) | 0.0008 (18) | 0.001 (2) | 0.018 (3) |
C28 | 0.0495 (19) | 0.068 (2) | 0.072 (2) | −0.0092 (17) | 0.0002 (17) | 0.019 (2) |
Ag—N3 | 2.173 (3) | C11—H11 | 0.93 |
Ag—N2 | 2.178 (3) | C12—C13 | 1.374 (5) |
O1A—N1 | 1.26 (5) | C12—H12 | 0.93 |
O1B—N1 | 1.225 (5) | C13—H13 | 0.93 |
O2—N1 | 1.254 (4) | C14—H14A | 0.97 |
O3—N1 | 1.245 (4) | C14—H14B | 0.97 |
N2—C14 | 1.474 (4) | C15—C16 | 1.499 (4) |
N2—C22 | 1.481 (4) | C15—H15A | 0.97 |
N2—H30 | 0.81 (4) | C15—H15B | 0.97 |
N3—C7 | 1.481 (4) | C16—C21 | 1.383 (5) |
N3—C15 | 1.488 (4) | C16—C17 | 1.388 (4) |
N3—H29 | 0.78 (4) | C17—C18 | 1.376 (5) |
C1—C2 | 1.377 (4) | C17—H17 | 0.93 |
C1—C6 | 1.388 (5) | C18—C19 | 1.369 (5) |
C1—C14 | 1.508 (4) | C18—H18 | 0.93 |
C2—C3 | 1.380 (5) | C19—C20 | 1.364 (5) |
C2—H2 | 0.93 | C19—H19 | 0.93 |
C3—C4 | 1.369 (6) | C20—C21 | 1.386 (5) |
C3—H3 | 0.93 | C20—H20 | 0.93 |
C4—C5 | 1.369 (6) | C21—H21 | 0.93 |
C4—H4 | 0.93 | C22—C23 | 1.505 (5) |
C5—C6 | 1.369 (5) | C22—H22A | 0.97 |
C5—H5 | 0.93 | C22—H22B | 0.97 |
C6—H6 | 0.93 | C23—C24 | 1.377 (4) |
C7—C8 | 1.497 (4) | C23—C28 | 1.381 (5) |
C7—H7A | 0.97 | C24—C25 | 1.390 (5) |
C7—H7B | 0.97 | C24—H24 | 0.93 |
C8—C9 | 1.374 (5) | C25—C26 | 1.382 (6) |
C8—C13 | 1.378 (5) | C25—H25 | 0.93 |
C9—C10 | 1.372 (5) | C26—C27 | 1.356 (7) |
C9—H9 | 0.93 | C26—H26 | 0.93 |
C10—C11 | 1.367 (6) | C27—C28 | 1.382 (6) |
C10—H10 | 0.93 | C27—H27 | 0.93 |
C11—C12 | 1.369 (6) | C28—H28 | 0.93 |
N3—Ag—N2 | 168.44 (10) | C12—C13—C8 | 120.6 (4) |
O1A—N1—O3 | 118 (2) | C12—C13—H13 | 119.7 |
O1B—N1—O3 | 121.3 (4) | C8—C13—H13 | 119.7 |
O1A—N1—O2 | 115 (2) | N2—C14—C1 | 111.3 (3) |
O1B—N1—O2 | 118.8 (3) | N2—C14—H14A | 109.4 |
O3—N1—O2 | 119.7 (3) | C1—C14—H14A | 109.4 |
C14—N2—C22 | 112.6 (3) | N2—C14—H14B | 109.4 |
C14—N2—Ag | 113.4 (2) | C1—C14—H14B | 109.4 |
C22—N2—Ag | 114.9 (2) | H14A—C14—H14B | 108 |
C14—N2—H30 | 112 (3) | N3—C15—C16 | 113.8 (2) |
C22—N2—H30 | 103 (3) | N3—C15—H15A | 108.8 |
Ag—N2—H30 | 100 (3) | C16—C15—H15A | 108.8 |
C7—N3—C15 | 112.6 (3) | N3—C15—H15B | 108.8 |
C7—N3—Ag | 109.69 (18) | C16—C15—H15B | 108.8 |
C15—N3—Ag | 115.2 (2) | H15A—C15—H15B | 107.7 |
C7—N3—H29 | 106 (3) | C21—C16—C17 | 118.0 (3) |
C15—N3—H29 | 107 (3) | C21—C16—C15 | 122.2 (3) |
Ag—N3—H29 | 105 (3) | C17—C16—C15 | 119.8 (3) |
C2—C1—C6 | 119.0 (3) | C18—C17—C16 | 121.1 (3) |
C2—C1—C14 | 120.5 (3) | C18—C17—H17 | 119.4 |
C6—C1—C14 | 120.5 (3) | C16—C17—H17 | 119.4 |
C1—C2—C3 | 120.5 (3) | C19—C18—C17 | 119.9 (3) |
C1—C2—H2 | 119.8 | C19—C18—H18 | 120 |
C3—C2—H2 | 119.8 | C17—C18—H18 | 120 |
C4—C3—C2 | 120.0 (4) | C20—C19—C18 | 120.1 (3) |
C4—C3—H3 | 120 | C20—C19—H19 | 119.9 |
C2—C3—H3 | 120 | C18—C19—H19 | 119.9 |
C5—C4—C3 | 119.9 (3) | C19—C20—C21 | 120.2 (3) |
C5—C4—H4 | 120.1 | C19—C20—H20 | 119.9 |
C3—C4—H4 | 120.1 | C21—C20—H20 | 119.9 |
C6—C5—C4 | 120.7 (3) | C16—C21—C20 | 120.6 (3) |
C6—C5—H5 | 119.7 | C16—C21—H21 | 119.7 |
C4—C5—H5 | 119.7 | C20—C21—H21 | 119.7 |
C5—C6—C1 | 120.0 (3) | N2—C22—C23 | 112.2 (3) |
C5—C6—H6 | 120 | N2—C22—H22A | 109.2 |
C1—C6—H6 | 120 | C23—C22—H22A | 109.2 |
N3—C7—C8 | 109.9 (3) | N2—C22—H22B | 109.2 |
N3—C7—H7A | 109.7 | C23—C22—H22B | 109.2 |
C8—C7—H7A | 109.7 | H22A—C22—H22B | 107.9 |
N3—C7—H7B | 109.7 | C24—C23—C28 | 118.7 (3) |
C8—C7—H7B | 109.7 | C24—C23—C22 | 119.9 (3) |
H7A—C7—H7B | 108.2 | C28—C23—C22 | 121.3 (3) |
C9—C8—C13 | 118.3 (3) | C23—C24—C25 | 120.8 (4) |
C9—C8—C7 | 121.1 (3) | C23—C24—H24 | 119.6 |
C13—C8—C7 | 120.5 (3) | C25—C24—H24 | 119.6 |
C10—C9—C8 | 120.9 (4) | C26—C25—C24 | 119.4 (4) |
C10—C9—H9 | 119.6 | C26—C25—H25 | 120.3 |
C8—C9—H9 | 119.6 | C24—C25—H25 | 120.3 |
C11—C10—C9 | 120.6 (4) | C27—C26—C25 | 119.9 (4) |
C11—C10—H10 | 119.7 | C27—C26—H26 | 120 |
C9—C10—H10 | 119.7 | C25—C26—H26 | 120 |
C10—C11—C12 | 119.0 (4) | C26—C27—C28 | 120.7 (4) |
C10—C11—H11 | 120.5 | C26—C27—H27 | 119.6 |
C12—C11—H11 | 120.5 | C28—C27—H27 | 119.6 |
C11—C12—C13 | 120.6 (4) | C23—C28—C27 | 120.4 (4) |
C11—C12—H12 | 119.7 | C23—C28—H28 | 119.8 |
C13—C12—H12 | 119.7 | C27—C28—H28 | 119.8 |
N3—Ag—N2—C14 | −3.1 (7) | C2—C1—C14—N2 | 99.4 (4) |
N3—Ag—N2—C22 | 128.4 (5) | C6—C1—C14—N2 | −79.9 (4) |
N2—Ag—N3—C7 | 67.2 (6) | C7—N3—C15—C16 | −80.5 (4) |
N2—Ag—N3—C15 | −61.1 (6) | Ag—N3—C15—C16 | 46.3 (4) |
C6—C1—C2—C3 | −1.4 (5) | N3—C15—C16—C21 | 91.3 (4) |
C14—C1—C2—C3 | 179.3 (3) | N3—C15—C16—C17 | −89.9 (4) |
C1—C2—C3—C4 | 0.4 (5) | C21—C16—C17—C18 | 0.5 (4) |
C2—C3—C4—C5 | 0.9 (6) | C15—C16—C17—C18 | −178.3 (3) |
C3—C4—C5—C6 | −1.4 (6) | C16—C17—C18—C19 | −0.1 (5) |
C4—C5—C6—C1 | 0.5 (6) | C17—C18—C19—C20 | −0.5 (5) |
C2—C1—C6—C5 | 0.9 (5) | C18—C19—C20—C21 | 0.6 (6) |
C14—C1—C6—C5 | −179.7 (3) | C17—C16—C21—C20 | −0.4 (5) |
C15—N3—C7—C8 | −175.3 (3) | C15—C16—C21—C20 | 178.4 (3) |
Ag—N3—C7—C8 | 55.0 (3) | C19—C20—C21—C16 | −0.2 (5) |
N3—C7—C8—C9 | −95.0 (4) | C14—N2—C22—C23 | 80.5 (4) |
N3—C7—C8—C13 | 81.6 (4) | Ag—N2—C22—C23 | −51.3 (3) |
C13—C8—C9—C10 | −0.2 (5) | N2—C22—C23—C24 | 85.5 (4) |
C7—C8—C9—C10 | 176.4 (3) | N2—C22—C23—C28 | −93.2 (4) |
C8—C9—C10—C11 | 0.1 (6) | C28—C23—C24—C25 | −0.8 (5) |
C9—C10—C11—C12 | 0.3 (7) | C22—C23—C24—C25 | −179.5 (3) |
C10—C11—C12—C13 | −0.6 (7) | C23—C24—C25—C26 | 1.5 (5) |
C11—C12—C13—C8 | 0.5 (7) | C24—C25—C26—C27 | −0.3 (6) |
C9—C8—C13—C12 | −0.1 (5) | C25—C26—C27—C28 | −1.5 (6) |
C7—C8—C13—C12 | −176.7 (4) | C24—C23—C28—C27 | −1.0 (5) |
C22—N2—C14—C1 | 176.3 (3) | C22—C23—C28—C27 | 177.7 (3) |
Ag—N2—C14—C1 | −51.1 (3) | C26—C27—C28—C23 | 2.1 (6) |
D—H···A | D—H | H···A | D···A | D—H···A |
N3—H29···O2i | 0.78 (4) | 2.17 (4) | 2.933 (4) | 166 (4) |
N2—H30···O2 | 0.81 (4) | 2.12 (4) | 2.863 (4) | 153 (3) |
C4—H4···O1Bii | 0.93 | 2.57 | 3.475 (7) | 165 |
Symmetry codes: (i) x, −y+1/2, z−1/2; (ii) −x+1, y−1/2, −z+3/2. |
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