In the title compound [Ag(C20H20N2)(C18H15P)2]NO3·1.36NCCH3·1.64CH3OH. 0.53H3CH2COCH2CH3, the AgN2P2 coordination polyhedron can be described as a distorted tetrahedron. The packing of the cations leaves quite large voids in which there are disordered anions and solvent molecules.
Supporting information
CCDC reference: 275625
Key indicators
- Single-crystal X-ray study
- T = 140 K
- Mean (C-C) = 0.004 Å
- H-atom completeness 76%
- Disorder in main residue
- R factor = 0.055
- wR factor = 0.137
- Data-to-parameter ratio = 19.4
checkCIF/PLATON results
No syntax errors found
Alert level A
PLAT029_ALERT_3_A _diffrn_measured_fraction_theta_full Low ....... 0.94
| Author Response: Unfortunately, I ran out of liquid nitrogen at the
end of my first run.
|
PLAT430_ALERT_2_A Short Inter D...A Contact O86 .. O32A .. 2.06 Ang.
| Author Response: This is due to the disordered solvent molecules
in this structure.
|
PLAT432_ALERT_2_A Short Inter X...Y Contact C86 .. O32A .. 2.10 Ang.
| Author Response: This is due to the disordered solvent molecules
in this structure.
|
Alert level B
PLAT201_ALERT_2_B Isotropic non-H Atoms in Main Residue(s) ....... 5
PLAT432_ALERT_2_B Short Inter X...Y Contact O86 .. N3A .. 2.76 Ang.
| Author Response: This is due to the disordered solvent molecules
in this structure.
|
Alert level C
CHEMW03_ALERT_2_C The ratio of given/expected molecular weight as
calculated from the _atom_site* data lies outside
the range 0.99 <> 1.01
From the CIF: _cell_formula_units_Z 2
From the CIF: _chemical_formula_weight 1130.66
TEST: Calculate formula weight from _atom_site_*
atom mass num sum
C 12.01 62.49 750.62
H 1.01 50.00 50.40
N 14.01 4.36 61.10
O 16.00 5.17 82.73
P 30.97 2.00 61.95
Ag 107.87 1.00 107.87
Calculated formula weight 1114.66
PLAT041_ALERT_1_C Calc. and Rep. SumFormula Strings Differ .... ?
PLAT042_ALERT_1_C Calc. and Rep. MoietyFormula Strings Differ .... ?
PLAT043_ALERT_1_C Check Reported Molecular Weight ................ 1130.66
PLAT044_ALERT_1_C Calculated and Reported Dx Differ .............. ?
PLAT063_ALERT_3_C Crystal Probably too Large for Beam Size ....... 0.71 mm
PLAT068_ALERT_1_C Reported F000 Differs from Calcd (or Missing)... ?
PLAT077_ALERT_4_C Unitcell contains non-integer number of atoms .. ?
PLAT152_ALERT_1_C Supplied and Calc Volume s.u. Inconsistent ..... ?
PLAT244_ALERT_4_C Low 'Solvent' Ueq as Compared to Neighbors for N3
PLAT244_ALERT_4_C Low 'Solvent' Ueq as Compared to Neighbors for N3A
PLAT244_ALERT_4_C Low 'Solvent' Ueq as Compared to Neighbors for C72
PLAT244_ALERT_4_C Low 'Solvent' Ueq as Compared to Neighbors for C70
PLAT301_ALERT_3_C Main Residue Disorder ......................... 8.00 Perc.
PLAT302_ALERT_4_C Anion/Solvent Disorder ......................... 35.00 Perc.
PLAT309_ALERT_2_C Single Bonded Oxygen (C-O .GT. 1.3 Ang) ........ O88
PLAT309_ALERT_2_C Single Bonded Oxygen (C-O .GT. 1.3 Ang) ........ O86
PLAT321_ALERT_2_C Check Hybridisation of C71 in Solvent/Ion .. ?
PLAT321_ALERT_2_C Check Hybridisation of C86 in Solvent/Ion .. ?
PLAT430_ALERT_2_C Short Inter D...A Contact O86 .. O31A .. 2.88 Ang.
| Author Response: This is due to the disordered solvent molecules
in this structure.
|
PLAT432_ALERT_2_C Short Inter X...Y Contact C402 .. C73 .. 3.11 Ang.
| Author Response: This is due to the disordered solvent molecules
in this structure.
|
PLAT432_ALERT_2_C Short Inter X...Y Contact C402 .. C72 .. 3.14 Ang.
| Author Response: This is due to the disordered solvent molecules
in this structure.
|
Alert level G
FORMU01_ALERT_2_G There is a discrepancy between the atom counts in the
_chemical_formula_sum and the formula from the _atom_site* data.
Atom count from _chemical_formula_sum:C62.49 H65.97 Ag1 N4.36 O5.17
Atom count from the _atom_site data: C62.49400 H50 Ag1 N4.362 O5.17
CELLZ01_ALERT_1_G Difference between formula and atom_site contents detected.
CELLZ01_ALERT_1_G WARNING: H atoms missing from atom site list. Is this intentional?
From the CIF: _cell_formula_units_Z 2
From the CIF: _chemical_formula_sum C62.49 H65.97 Ag N4.36 O5.17 P2
TEST: Compare cell contents of formula and atom_site data
atom Z*formula cif sites diff
C 124.98 124.99 -0.01
H 131.94 100.00 31.94
Ag 2.00 2.00 0.00
N 8.72 8.72 0.00
O 10.34 10.34 0.00
P 4.00 4.00 0.00
PLAT860_ALERT_3_G Note: Number of Least-Squares Restraints ....... 17
3 ALERT level A = In general: serious problem
2 ALERT level B = Potentially serious problem
22 ALERT level C = Check and explain
4 ALERT level G = General alerts; check
8 ALERT type 1 CIF construction/syntax error, inconsistent or missing data
13 ALERT type 2 Indicator that the structure model may be wrong or deficient
4 ALERT type 3 Indicator that the structure quality may be low
6 ALERT type 4 Improvement, methodology, query or suggestion
0 ALERT type 5 Informative message, check
Data collection: X-AREA (Stoe & Cie , 2006); cell refinement: X-AREA; data reduction: X-RED32 (Stoe & Cie, 2005); program(s) used to solve structure: DIRDIF (Beurskens et al., 1996); program(s) used to refine structure: SHELXL97 (Sheldrick, 1997); molecular graphics: SHELXTL (Sheldrick, 1996) and ATOMS (Dowty, 2006); software used to prepare material for publication: SHELXTL.
[
N,
N'-Bis(3-phenylprop-2-enylidene)ethylenediamine-
κ2N,
N']bis(triphenylphosphine-
κP)silver(I) nitrate
1.36-acetonitrile 1.64-methanol 0.53-diethyl ether solvate
top
Crystal data top
[Ag(C20H20N2)(C18H15P)2]NO3·1.36C2H3N·1.64CH4O·0.53C4H10O | Z = 2 |
Mr = 1130.66 | F(000) = 1179.6 |
Triclinic, P1 | Dx = 1.315 Mg m−3 |
Hall symbol: -P 1 | Mo Kα radiation, λ = 0.71073 Å |
a = 13.5727 (9) Å | Cell parameters from 5484 reflections |
b = 14.9626 (10) Å | θ = 1.7–29.7° |
c = 15.7828 (11) Å | µ = 0.46 mm−1 |
α = 80.578 (5)° | T = 140 K |
β = 82.201 (5)° | Prism, colourless |
γ = 64.867 (4)° | 0.71 × 0.32 × 0.23 mm |
V = 2854.7 (4) Å3 | |
Data collection top
Stoe IPDS2 diffractometer | 14231 independent reflections |
Radiation source: sealed X-ray tube, 12 x 0.4 mm long-fine focus | 12840 reflections with I > 2σ(I) |
Plane graphite monochromator | Rint = 0.026 |
Detector resolution: 6.67 pixels mm-1 | θmax = 29.4°, θmin = 1.7° |
rotation method scans | h = −18→16 |
Absorption correction: integration (X-RED32; Stoe & Cie, 2005) | k = −20→20 |
Tmin = 0.804, Tmax = 0.914 | l = −21→21 |
27609 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)] = 0.055 | Hydrogen site location: inferred from neighbouring sites |
wR(F2) = 0.137 | H-atom parameters constrained |
S = 1.12 | w = 1/[σ2(Fo2) + (0.0456P)2 + 4.8514P] where P = (Fo2 + 2Fc2)/3 |
14231 reflections | (Δ/σ)max = 0.021 |
735 parameters | Δρmax = 1.19 e Å−3 |
17 restraints | Δρmin = −1.41 e Å−3 |
Special details top
Experimental. νmax(KBr)/cm-1 1624 (C=N), 1345 (NO3). δH (CDCl3) 3.80 (s, 4H,
NCH2CH2N); 6.56 (dd, 2H, –C=CHC); 6.89 (d, 2H, PhCH=C); 7.14–7.40 (m,
40H, 2Ph-C ArH); 8.40 (d, 2H, CH=N). UV-Vis λmax(nm)/ε(M-1cm-1)
277 (50470). |
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 | x | y | z | Uiso*/Ueq | Occ. (<1) |
Ag | 0.190066 (12) | 0.153494 (11) | 0.228681 (10) | 0.03259 (4) | |
C1 | 0.1232 (2) | 0.33276 (18) | 0.08066 (15) | 0.0443 (6) | |
H1A | 0.1019 | 0.4022 | 0.0581 | 0.053* | |
H1B | 0.0807 | 0.3074 | 0.0550 | 0.053* | |
C2 | 0.2441 (2) | 0.27421 (17) | 0.05780 (16) | 0.0438 (6) | |
H2A | 0.2596 | 0.2825 | −0.0041 | 0.053* | |
H2B | 0.2868 | 0.2985 | 0.0845 | 0.053* | |
N1 | 0.10188 (15) | 0.32365 (13) | 0.17378 (12) | 0.0382 (4) | |
C11 | 0.04005 (19) | 0.40267 (16) | 0.20860 (16) | 0.0413 (5) | |
H11 | 0.0131 | 0.4626 | 0.1731 | 0.050* | |
C12 | 0.01035 (19) | 0.40346 (16) | 0.29898 (16) | 0.0414 (5) | |
H12 | 0.0438 | 0.3460 | 0.3361 | 0.050* | |
C13 | −0.0651 (2) | 0.48556 (17) | 0.33164 (16) | 0.0435 (6) | |
H13 | −0.0936 | 0.5421 | 0.2924 | 0.052* | |
C14 | −0.10692 (19) | 0.49606 (16) | 0.42068 (16) | 0.0415 (5) | |
C15 | −0.1934 (2) | 0.58471 (18) | 0.44064 (19) | 0.0506 (7) | |
H15 | −0.2238 | 0.6354 | 0.3968 | 0.061* | |
C16 | −0.2341 (2) | 0.5978 (2) | 0.5249 (2) | 0.0582 (8) | |
H16 | −0.2917 | 0.6573 | 0.5372 | 0.070* | |
C17 | −0.1901 (2) | 0.52344 (19) | 0.59127 (19) | 0.0540 (7) | |
H17 | −0.2184 | 0.5323 | 0.6479 | 0.065* | |
C18 | −0.1034 (2) | 0.43543 (18) | 0.57237 (18) | 0.0503 (6) | |
H18 | −0.0727 | 0.3854 | 0.6166 | 0.060* | |
C19 | −0.0624 (2) | 0.42181 (16) | 0.48812 (17) | 0.0453 (6) | |
H19 | −0.0044 | 0.3624 | 0.4762 | 0.054* | |
N2 | 0.27298 (14) | 0.16942 (13) | 0.08851 (12) | 0.0373 (4) | |
C21 | 0.32450 (18) | 0.10447 (17) | 0.03595 (16) | 0.0413 (5) | |
H21 | 0.3456 | 0.1254 | −0.0195 | 0.050* | |
C22 | 0.35043 (18) | 0.00068 (17) | 0.06012 (16) | 0.0407 (5) | |
H22 | 0.3307 | −0.0205 | 0.1159 | 0.049* | |
C23 | 0.40245 (18) | −0.06694 (18) | 0.00440 (16) | 0.0433 (5) | |
H23 | 0.4244 | −0.0437 | −0.0499 | 0.052* | |
C24 | 0.42807 (18) | −0.17360 (17) | 0.02054 (16) | 0.0418 (5) | |
C25 | 0.4813 (2) | −0.23274 (19) | −0.04555 (18) | 0.0492 (6) | |
H25 | 0.5015 | −0.2044 | −0.0981 | 0.059* | |
C26 | 0.5043 (2) | −0.3338 (2) | −0.0337 (2) | 0.0569 (7) | |
H26 | 0.5402 | −0.3727 | −0.0780 | 0.068* | |
C27 | 0.4739 (3) | −0.3758 (2) | 0.0437 (2) | 0.0628 (8) | |
H27 | 0.4894 | −0.4433 | 0.0520 | 0.075* | |
C28 | 0.4202 (3) | −0.3177 (2) | 0.1093 (2) | 0.0612 (8) | |
H28 | 0.3986 | −0.3461 | 0.1613 | 0.073* | |
C29 | 0.3983 (2) | −0.21773 (19) | 0.09800 (18) | 0.0521 (7) | |
H29 | 0.3632 | −0.1796 | 0.1429 | 0.063* | |
P1 | 0.05191 (4) | 0.08621 (4) | 0.23475 (4) | 0.03475 (12) | |
C100 | −0.05172 (17) | 0.13359 (16) | 0.32105 (15) | 0.0389 (5) | |
C101 | −0.07219 (19) | 0.07309 (19) | 0.39200 (16) | 0.0448 (6) | |
H101 | −0.0360 | 0.0043 | 0.3944 | 0.054* | |
C102 | −0.1463 (2) | 0.1155 (2) | 0.45869 (19) | 0.0560 (7) | |
H102 | −0.1589 | 0.0745 | 0.5059 | 0.067* | |
C103 | −0.2014 (2) | 0.2164 (2) | 0.45677 (19) | 0.0570 (7) | |
H103 | −0.2513 | 0.2436 | 0.5020 | 0.068* | |
C104 | −0.1822 (2) | 0.2776 (2) | 0.38686 (19) | 0.0529 (7) | |
H104 | −0.2192 | 0.3462 | 0.3852 | 0.063* | |
C105 | −0.1080 (2) | 0.23688 (18) | 0.31948 (17) | 0.0465 (6) | |
H105 | −0.0954 | 0.2784 | 0.2728 | 0.056* | |
C110 | −0.02536 (17) | 0.11844 (16) | 0.13994 (14) | 0.0376 (5) | |
C111 | 0.0316 (2) | 0.1137 (2) | 0.06008 (16) | 0.0476 (6) | |
H111 | 0.1059 | 0.0985 | 0.0563 | 0.057* | |
C112 | −0.0207 (2) | 0.1313 (2) | −0.01442 (17) | 0.0596 (7) | |
H112 | 0.0190 | 0.1263 | −0.0676 | 0.072* | |
C113 | −0.1299 (2) | 0.1560 (2) | −0.01001 (18) | 0.0612 (8) | |
H113 | −0.1646 | 0.1667 | −0.0600 | 0.073* | |
C114 | −0.1883 (2) | 0.1649 (3) | 0.0683 (2) | 0.0757 (10) | |
H114 | −0.2634 | 0.1839 | 0.0712 | 0.091* | |
C115 | −0.1362 (2) | 0.1456 (2) | 0.14379 (18) | 0.0606 (8) | |
H115 | −0.1763 | 0.1511 | 0.1968 | 0.073* | |
C120 | 0.10127 (17) | −0.04878 (16) | 0.25491 (13) | 0.0360 (5) | |
C121 | 0.20006 (18) | −0.10274 (17) | 0.29309 (15) | 0.0423 (5) | |
H121 | 0.2373 | −0.0693 | 0.3094 | 0.051* | |
C122 | 0.2431 (2) | −0.20568 (18) | 0.30680 (17) | 0.0478 (6) | |
H122 | 0.3089 | −0.2407 | 0.3322 | 0.057* | |
C123 | 0.1888 (2) | −0.25652 (18) | 0.28294 (16) | 0.0468 (6) | |
H123 | 0.2178 | −0.3256 | 0.2922 | 0.056* | |
C124 | 0.0910 (2) | −0.20388 (18) | 0.24519 (16) | 0.0465 (5) | |
H124 | 0.0545 | −0.2378 | 0.2285 | 0.056* | |
C125 | 0.04695 (18) | −0.10104 (17) | 0.23214 (15) | 0.0423 (5) | |
H125 | −0.0197 | −0.0664 | 0.2079 | 0.051* | |
P2 | 0.31868 (4) | 0.10423 (4) | 0.33928 (3) | 0.03233 (11) | |
C200 | 0.25579 (16) | 0.13118 (14) | 0.44680 (14) | 0.0332 (4) | |
C201 | 0.14675 (17) | 0.14712 (15) | 0.46507 (14) | 0.0360 (5) | |
H201 | 0.1069 | 0.1464 | 0.4219 | 0.043* | |
C202 | 0.09713 (18) | 0.16403 (16) | 0.54717 (15) | 0.0399 (5) | |
H202 | 0.0245 | 0.1738 | 0.5591 | 0.048* | |
C203 | 0.15573 (19) | 0.16642 (16) | 0.61159 (15) | 0.0405 (5) | |
H203 | 0.1223 | 0.1783 | 0.6665 | 0.049* | |
C204 | 0.26434 (19) | 0.15105 (17) | 0.59399 (15) | 0.0424 (5) | |
H204 | 0.3036 | 0.1524 | 0.6373 | 0.051* | |
C205 | 0.31431 (17) | 0.13380 (16) | 0.51249 (14) | 0.0385 (5) | |
H205 | 0.3870 | 0.1239 | 0.5010 | 0.046* | |
C210 | 0.41893 (17) | 0.15777 (15) | 0.32146 (13) | 0.0342 (4) | |
C211 | 0.38447 (19) | 0.25713 (16) | 0.28678 (14) | 0.0395 (5) | |
H211 | 0.3129 | 0.2931 | 0.2719 | 0.047* | |
C212 | 0.4564 (2) | 0.30275 (18) | 0.27424 (17) | 0.0479 (6) | |
H212 | 0.4326 | 0.3694 | 0.2520 | 0.057* | |
C213 | 0.5637 (2) | 0.2491 (2) | 0.29488 (18) | 0.0513 (6) | |
H213 | 0.6119 | 0.2796 | 0.2860 | 0.062* | |
C214 | 0.59894 (19) | 0.1505 (2) | 0.32855 (18) | 0.0499 (6) | |
H214 | 0.6709 | 0.1147 | 0.3424 | 0.060* | |
C215 | 0.52729 (18) | 0.10481 (18) | 0.34179 (17) | 0.0447 (6) | |
H215 | 0.5516 | 0.0382 | 0.3644 | 0.054* | |
C220 | 0.40193 (16) | −0.03017 (15) | 0.35335 (15) | 0.0376 (5) | |
C221 | 0.40032 (18) | −0.08991 (16) | 0.43026 (17) | 0.0447 (6) | |
H221 | 0.3592 | −0.0613 | 0.4786 | 0.054* | |
C222 | 0.4602 (2) | −0.19288 (18) | 0.4354 (2) | 0.0566 (7) | |
H222 | 0.4585 | −0.2326 | 0.4870 | 0.068* | |
C223 | 0.5215 (2) | −0.23555 (19) | 0.3645 (2) | 0.0627 (8) | |
H223 | 0.5615 | −0.3040 | 0.3683 | 0.075* | |
C224 | 0.5240 (2) | −0.17719 (19) | 0.2873 (2) | 0.0598 (7) | |
H224 | 0.5656 | −0.2064 | 0.2394 | 0.072* | |
C225 | 0.46389 (19) | −0.07418 (18) | 0.28143 (18) | 0.0479 (6) | |
H225 | 0.4653 | −0.0350 | 0.2295 | 0.058* | |
N70 | 0.7384 (3) | 0.4857 (3) | 0.8263 (2) | 0.0980 (13) | |
C70 | 0.7839 (3) | 0.4512 (2) | 0.8863 (2) | 0.0673 (10) | |
C71 | 0.8433 (4) | 0.4077 (3) | 0.9642 (3) | 0.1058 (16) | |
O86 | 0.6682 (3) | 0.9376 (3) | 0.1847 (2) | 0.1259 (13) | |
C86 | 0.7365 (4) | 0.9882 (4) | 0.1720 (4) | 0.1223 (17) | |
N72 | 0.6782 (8) | 0.4076 (5) | 0.1688 (7) | 0.158 (7) | 0.362 (4) |
C72 | 0.6850 (7) | 0.4754 (5) | 0.1871 (7) | 0.087 (4) | 0.362 (4) |
C73 | 0.6845 (11) | 0.5601 (7) | 0.2306 (10) | 0.148 (7) | 0.362 (4) |
O88 | 0.7979 (4) | 0.5326 (4) | 0.1278 (3) | 0.127 (2) | 0.638 (4) |
C88 | 0.7127 (6) | 0.5233 (7) | 0.1877 (6) | 0.111 (3) | 0.638 (4) |
N3 | 0.8533 (3) | 0.7080 (3) | 0.1568 (2) | 0.0544 (11) | 0.609 (3) |
O31 | 0.7625 (4) | 0.7257 (4) | 0.1631 (3) | 0.1023 (16) | 0.609 (3) |
O32 | 0.8974 (4) | 0.6270 (3) | 0.1212 (2) | 0.0945 (18) | 0.609 (3) |
O33 | 0.9046 (4) | 0.7505 (5) | 0.1663 (6) | 0.157 (3) | 0.609 (3) |
N3A | 0.8402 (9) | 0.7542 (9) | 0.1758 (5) | 0.105 (3)* | 0.391 (3) |
O31A | 0.7711 (6) | 0.7238 (5) | 0.2024 (5) | 0.077 (2) | 0.391 (3) |
O32A | 0.8273 (7) | 0.8342 (6) | 0.1764 (5) | 0.106 (3) | 0.391 (3) |
O33A | 0.9300 (9) | 0.6797 (7) | 0.1542 (10) | 0.183 (6) | 0.391 (3) |
C401 | 0.4778 (10) | 0.4798 (9) | 0.4130 (6) | 0.169 (3)* | 0.533 (5) |
C402 | 0.4796 (11) | 0.5305 (11) | 0.3192 (6) | 0.169 (3)* | 0.533 (5) |
O400 | 0.5375 (7) | 0.5079 (7) | 0.4627 (4) | 0.169 (3)* | 0.533 (5) |
C403 | 0.5930 (11) | 0.4512 (10) | 0.5412 (7) | 0.169 (3)* | 0.533 (9) |
C404 | 0.5374 (13) | 0.4873 (12) | 0.6264 (6) | 0.169 (3)* | 0.533 (9) |
Atomic displacement parameters (Å2) top | U11 | U22 | U33 | U12 | U13 | U23 |
Ag | 0.03019 (6) | 0.03412 (6) | 0.03248 (7) | −0.01010 (5) | −0.00884 (5) | −0.00482 (5) |
C1 | 0.0454 (11) | 0.0401 (10) | 0.0396 (11) | −0.0098 (9) | −0.0112 (10) | 0.0009 (9) |
C2 | 0.0464 (11) | 0.0409 (10) | 0.0414 (11) | −0.0170 (8) | −0.0007 (10) | −0.0021 (9) |
N1 | 0.0345 (8) | 0.0347 (8) | 0.0400 (9) | −0.0074 (6) | −0.0075 (8) | −0.0052 (7) |
C11 | 0.0386 (10) | 0.0322 (9) | 0.0461 (11) | −0.0076 (8) | −0.0094 (9) | −0.0006 (8) |
C12 | 0.0402 (10) | 0.0323 (9) | 0.0460 (11) | −0.0079 (8) | −0.0086 (10) | −0.0047 (8) |
C13 | 0.0426 (11) | 0.0340 (9) | 0.0461 (12) | −0.0072 (8) | −0.0072 (10) | −0.0047 (9) |
C14 | 0.0410 (10) | 0.0329 (9) | 0.0480 (12) | −0.0111 (8) | −0.0032 (10) | −0.0093 (8) |
C15 | 0.0487 (13) | 0.0364 (10) | 0.0571 (14) | −0.0066 (10) | −0.0052 (12) | −0.0092 (10) |
C16 | 0.0552 (15) | 0.0452 (12) | 0.0626 (16) | −0.0074 (11) | 0.0000 (14) | −0.0161 (11) |
C17 | 0.0575 (14) | 0.0514 (12) | 0.0546 (14) | −0.0232 (10) | 0.0059 (13) | −0.0159 (10) |
C18 | 0.0588 (13) | 0.0433 (10) | 0.0477 (13) | −0.0209 (10) | −0.0016 (12) | −0.0047 (9) |
C19 | 0.0470 (12) | 0.0325 (9) | 0.0516 (13) | −0.0115 (8) | −0.0027 (11) | −0.0064 (9) |
N2 | 0.0301 (8) | 0.0385 (8) | 0.0404 (9) | −0.0099 (6) | −0.0014 (7) | −0.0094 (7) |
C21 | 0.0331 (9) | 0.0492 (10) | 0.0424 (11) | −0.0171 (8) | −0.0015 (9) | −0.0083 (9) |
C22 | 0.0323 (9) | 0.0469 (10) | 0.0428 (11) | −0.0134 (8) | −0.0016 (9) | −0.0141 (8) |
C23 | 0.0332 (9) | 0.0527 (11) | 0.0456 (11) | −0.0163 (8) | 0.0014 (9) | −0.0172 (9) |
C24 | 0.0294 (9) | 0.0494 (10) | 0.0469 (11) | −0.0119 (8) | −0.0031 (9) | −0.0192 (9) |
C25 | 0.0352 (11) | 0.0544 (12) | 0.0550 (13) | −0.0113 (9) | 0.0025 (11) | −0.0238 (10) |
C26 | 0.0497 (14) | 0.0545 (12) | 0.0630 (15) | −0.0119 (11) | 0.0026 (13) | −0.0300 (11) |
C27 | 0.0693 (17) | 0.0477 (12) | 0.0699 (17) | −0.0174 (12) | −0.0046 (15) | −0.0224 (12) |
C28 | 0.0772 (18) | 0.0534 (13) | 0.0528 (15) | −0.0263 (12) | 0.0006 (14) | −0.0120 (11) |
C29 | 0.0544 (13) | 0.0492 (11) | 0.0517 (13) | −0.0151 (10) | −0.0049 (12) | −0.0201 (10) |
P1 | 0.0327 (2) | 0.0430 (2) | 0.0318 (2) | −0.01653 (18) | −0.0083 (2) | −0.00566 (19) |
C100 | 0.0358 (8) | 0.0491 (9) | 0.0383 (10) | −0.0217 (7) | −0.0078 (8) | −0.0066 (8) |
C101 | 0.0419 (10) | 0.0534 (11) | 0.0410 (11) | −0.0212 (9) | 0.0027 (10) | −0.0108 (9) |
C102 | 0.0553 (13) | 0.0697 (14) | 0.0458 (13) | −0.0300 (11) | 0.0061 (12) | −0.0103 (11) |
C103 | 0.0495 (13) | 0.0723 (15) | 0.0509 (14) | −0.0243 (11) | 0.0066 (12) | −0.0223 (12) |
C104 | 0.0451 (13) | 0.0532 (12) | 0.0568 (14) | −0.0142 (10) | 0.0031 (12) | −0.0197 (11) |
C105 | 0.0463 (11) | 0.0489 (11) | 0.0447 (12) | −0.0193 (9) | −0.0048 (10) | −0.0063 (9) |
C110 | 0.0334 (8) | 0.0450 (9) | 0.0368 (10) | −0.0158 (7) | −0.0088 (8) | −0.0077 (8) |
C111 | 0.0428 (10) | 0.0653 (13) | 0.0390 (11) | −0.0240 (9) | −0.0104 (9) | −0.0062 (10) |
C112 | 0.0611 (13) | 0.0855 (17) | 0.0385 (12) | −0.0333 (12) | −0.0163 (11) | −0.0050 (11) |
C113 | 0.0555 (12) | 0.0811 (17) | 0.0468 (12) | −0.0219 (12) | −0.0232 (11) | −0.0089 (12) |
C114 | 0.0381 (11) | 0.124 (2) | 0.0630 (16) | −0.0235 (14) | −0.0176 (12) | −0.0234 (16) |
C115 | 0.0378 (11) | 0.1002 (19) | 0.0457 (13) | −0.0251 (12) | −0.0074 (11) | −0.0191 (13) |
C120 | 0.0376 (9) | 0.0434 (9) | 0.0299 (9) | −0.0182 (7) | −0.0043 (8) | −0.0064 (7) |
C121 | 0.0412 (9) | 0.0480 (10) | 0.0434 (11) | −0.0217 (8) | −0.0099 (9) | −0.0058 (8) |
C122 | 0.0463 (11) | 0.0467 (11) | 0.0488 (13) | −0.0179 (9) | −0.0103 (10) | 0.0003 (10) |
C123 | 0.0522 (12) | 0.0436 (10) | 0.0432 (12) | −0.0193 (9) | −0.0001 (11) | −0.0057 (9) |
C124 | 0.0535 (11) | 0.0522 (10) | 0.0444 (12) | −0.0302 (9) | −0.0017 (10) | −0.0124 (9) |
C125 | 0.0420 (9) | 0.0498 (10) | 0.0412 (11) | −0.0224 (8) | −0.0084 (9) | −0.0079 (8) |
P2 | 0.0290 (2) | 0.0323 (2) | 0.0351 (2) | −0.00926 (17) | −0.01003 (19) | −0.00548 (18) |
C200 | 0.0330 (8) | 0.0284 (7) | 0.0369 (9) | −0.0089 (6) | −0.0117 (8) | −0.0032 (7) |
C201 | 0.0336 (8) | 0.0332 (8) | 0.0408 (10) | −0.0112 (7) | −0.0108 (8) | −0.0043 (7) |
C202 | 0.0359 (9) | 0.0392 (9) | 0.0430 (11) | −0.0142 (8) | −0.0039 (9) | −0.0030 (8) |
C203 | 0.0461 (11) | 0.0379 (9) | 0.0345 (10) | −0.0144 (8) | −0.0038 (9) | −0.0039 (8) |
C204 | 0.0458 (10) | 0.0458 (10) | 0.0366 (10) | −0.0164 (8) | −0.0141 (9) | −0.0053 (8) |
C205 | 0.0357 (9) | 0.0421 (9) | 0.0387 (10) | −0.0143 (7) | −0.0113 (8) | −0.0051 (8) |
C210 | 0.0343 (8) | 0.0375 (8) | 0.0315 (9) | −0.0132 (7) | −0.0060 (8) | −0.0078 (7) |
C211 | 0.0412 (10) | 0.0383 (9) | 0.0367 (10) | −0.0132 (8) | −0.0047 (9) | −0.0056 (8) |
C212 | 0.0586 (12) | 0.0438 (10) | 0.0441 (12) | −0.0253 (9) | −0.0006 (11) | −0.0040 (9) |
C213 | 0.0528 (11) | 0.0633 (12) | 0.0504 (13) | −0.0356 (9) | 0.0008 (11) | −0.0113 (10) |
C214 | 0.0377 (10) | 0.0614 (12) | 0.0549 (14) | −0.0232 (9) | −0.0078 (10) | −0.0070 (11) |
C215 | 0.0355 (9) | 0.0450 (10) | 0.0545 (13) | −0.0153 (8) | −0.0135 (10) | −0.0034 (9) |
C220 | 0.0299 (8) | 0.0333 (8) | 0.0497 (11) | −0.0080 (7) | −0.0151 (8) | −0.0089 (8) |
C221 | 0.0430 (10) | 0.0356 (9) | 0.0560 (12) | −0.0128 (8) | −0.0200 (10) | −0.0025 (9) |
C222 | 0.0553 (12) | 0.0351 (10) | 0.0795 (17) | −0.0132 (9) | −0.0318 (12) | 0.0000 (10) |
C223 | 0.0466 (11) | 0.0373 (10) | 0.104 (2) | −0.0071 (9) | −0.0302 (13) | −0.0153 (12) |
C224 | 0.0376 (11) | 0.0498 (11) | 0.0911 (18) | −0.0062 (10) | −0.0119 (13) | −0.0337 (12) |
C225 | 0.0365 (10) | 0.0464 (10) | 0.0601 (13) | −0.0099 (9) | −0.0123 (10) | −0.0177 (10) |
N70 | 0.091 (2) | 0.085 (2) | 0.091 (2) | −0.0101 (18) | −0.015 (2) | −0.0054 (18) |
C70 | 0.0702 (19) | 0.0483 (13) | 0.073 (2) | −0.0172 (13) | 0.0048 (17) | −0.0081 (13) |
C71 | 0.140 (3) | 0.084 (2) | 0.092 (3) | −0.044 (2) | −0.039 (3) | 0.013 (2) |
O86 | 0.117 (2) | 0.157 (3) | 0.112 (3) | −0.0733 (19) | 0.001 (2) | 0.002 (2) |
C86 | 0.130 (3) | 0.159 (3) | 0.113 (4) | −0.099 (2) | −0.023 (3) | 0.015 (3) |
N72 | 0.201 (15) | 0.125 (10) | 0.110 (10) | −0.031 (10) | −0.017 (10) | −0.011 (8) |
C72 | 0.098 (7) | 0.053 (5) | 0.096 (7) | −0.016 (5) | −0.032 (6) | 0.007 (5) |
C73 | 0.119 (11) | 0.123 (10) | 0.213 (18) | −0.044 (9) | −0.001 (13) | −0.073 (11) |
O88 | 0.116 (4) | 0.116 (4) | 0.115 (4) | −0.002 (3) | −0.052 (3) | −0.015 (3) |
C88 | 0.100 (4) | 0.137 (5) | 0.122 (6) | −0.071 (4) | −0.033 (4) | −0.002 (5) |
N3 | 0.0407 (17) | 0.070 (2) | 0.0393 (17) | −0.0165 (16) | −0.0084 (15) | 0.0168 (16) |
O31 | 0.073 (2) | 0.160 (3) | 0.098 (3) | −0.060 (2) | 0.010 (2) | −0.058 (3) |
O32 | 0.120 (4) | 0.060 (2) | 0.053 (2) | 0.012 (2) | −0.015 (2) | −0.0019 (17) |
O33 | 0.084 (2) | 0.176 (4) | 0.252 (8) | −0.083 (3) | 0.007 (4) | −0.065 (5) |
O31A | 0.067 (4) | 0.067 (3) | 0.094 (5) | −0.032 (3) | 0.016 (4) | −0.011 (3) |
O32A | 0.157 (6) | 0.112 (5) | 0.069 (4) | −0.076 (4) | 0.005 (4) | −0.016 (3) |
O33A | 0.134 (7) | 0.073 (4) | 0.333 (17) | −0.050 (5) | −0.072 (9) | 0.065 (7) |
Geometric parameters (Å, º) top
Ag—N1 | 2.3740 (17) | C112—H112 | 0.9300 |
Ag—N2 | 2.366 (2) | C113—C114 | 1.369 (4) |
Ag—P1 | 2.4621 (6) | C113—H113 | 0.9300 |
Ag—P2 | 2.4393 (6) | C114—C115 | 1.395 (4) |
N1—C1 | 1.454 (3) | C114—H114 | 0.9300 |
N1—C11 | 1.284 (3) | C115—H115 | 0.9300 |
N2—C2 | 1.459 (3) | C120—C125 | 1.392 (3) |
N2—C21 | 1.285 (3) | C120—C121 | 1.398 (3) |
C1—C2 | 1.521 (3) | C121—C122 | 1.386 (3) |
C1—H1A | 0.9700 | C121—H121 | 0.9300 |
C1—H1B | 0.9700 | C122—C123 | 1.382 (4) |
C2—H2A | 0.9700 | C122—H122 | 0.9300 |
C2—H2B | 0.9700 | C123—C124 | 1.383 (3) |
C11—C12 | 1.429 (3) | C123—H123 | 0.9300 |
C11—H11 | 0.9300 | C124—C125 | 1.384 (3) |
C12—C13 | 1.349 (3) | C124—H124 | 0.9300 |
C12—H12 | 0.9300 | C125—H125 | 0.9300 |
C13—C14 | 1.450 (4) | P2—C200 | 1.819 (2) |
C13—H13 | 0.9300 | P2—C210 | 1.822 (2) |
C14—C19 | 1.396 (3) | P2—C220 | 1.834 (2) |
C14—C15 | 1.396 (3) | C200—C201 | 1.392 (3) |
C15—C16 | 1.381 (4) | C200—C205 | 1.404 (3) |
C15—H15 | 0.9300 | C201—C202 | 1.386 (3) |
C16—C17 | 1.384 (4) | C201—H201 | 0.9300 |
C16—H16 | 0.9300 | C202—C203 | 1.387 (3) |
C17—C18 | 1.388 (3) | C202—H202 | 0.9300 |
C17—H17 | 0.9300 | C203—C204 | 1.387 (3) |
C18—C19 | 1.382 (4) | C203—H203 | 0.9300 |
C18—H18 | 0.9300 | C204—C205 | 1.380 (3) |
C19—H19 | 0.9300 | C204—H204 | 0.9300 |
C21—C22 | 1.435 (3) | C205—H205 | 0.9300 |
C21—H21 | 0.9300 | C210—C211 | 1.393 (3) |
C22—C23 | 1.346 (3) | C210—C215 | 1.396 (3) |
C22—H22 | 0.9300 | C211—C212 | 1.388 (4) |
C23—C24 | 1.467 (3) | C211—H211 | 0.9300 |
C23—H23 | 0.9300 | C212—C213 | 1.386 (4) |
C24—C29 | 1.386 (4) | C212—H212 | 0.9300 |
C24—C25 | 1.396 (3) | C213—C214 | 1.378 (4) |
C25—C26 | 1.392 (4) | C213—H213 | 0.9300 |
C25—H25 | 0.9300 | C214—C215 | 1.386 (4) |
C26—C27 | 1.375 (5) | C214—H214 | 0.9300 |
C26—H26 | 0.9300 | C215—H215 | 0.9300 |
C27—C28 | 1.381 (4) | C220—C221 | 1.388 (3) |
C27—H27 | 0.9300 | C220—C225 | 1.394 (3) |
C28—C29 | 1.381 (4) | C221—C222 | 1.398 (3) |
C28—H28 | 0.9300 | C221—H221 | 0.9300 |
C29—H29 | 0.9300 | C222—C223 | 1.372 (4) |
P1—C100 | 1.813 (2) | C222—H222 | 0.9300 |
P1—C120 | 1.824 (2) | C223—C224 | 1.383 (5) |
P1—C110 | 1.825 (2) | C223—H223 | 0.9300 |
C100—C101 | 1.396 (3) | C224—C225 | 1.398 (3) |
C100—C105 | 1.401 (3) | C224—H224 | 0.9300 |
C101—C102 | 1.382 (4) | C225—H225 | 0.9300 |
C101—H101 | 0.9300 | N70—C70 | 1.129 (5) |
C102—C103 | 1.368 (4) | C70—C71 | 1.465 (6) |
C102—H102 | 0.9300 | O86—C86 | 1.404 (7) |
C103—C104 | 1.385 (4) | N72—C72 | 1.142 (6) |
C103—H103 | 0.9300 | C72—C73 | 1.534 (7) |
C104—C105 | 1.384 (4) | O88—C88 | 1.431 (9) |
C104—H104 | 0.9300 | N3—O31 | 1.139 (6) |
C105—H105 | 0.9300 | N3—O33 | 1.160 (8) |
C110—C115 | 1.376 (3) | N3—O32 | 1.289 (6) |
C110—C111 | 1.382 (3) | N3A—O32A | 1.135 (14) |
C111—C112 | 1.386 (3) | N3A—O31A | 1.208 (14) |
C111—H111 | 0.9300 | N3A—O33A | 1.305 (15) |
C112—C113 | 1.362 (4) | | |
| | | |
C1—N1—C11 | 117.97 (19) | C115—C110—P1 | 123.73 (19) |
C1—N1—Ag | 108.41 (13) | C111—C110—P1 | 117.67 (16) |
C11—N1—Ag | 133.56 (16) | C110—C111—C112 | 120.8 (2) |
C2—N2—C21 | 118.9 (2) | C110—C111—H111 | 119.6 |
C2—N2—Ag | 109.84 (14) | C112—C111—H111 | 119.6 |
C21—N2—Ag | 130.65 (17) | C113—C112—C111 | 120.3 (3) |
N1—Ag—N2 | 74.05 (6) | C113—C112—H112 | 119.9 |
N1—Ag—P1 | 105.17 (5) | C111—C112—H112 | 119.9 |
N1—Ag—P2 | 119.74 (5) | C112—C113—C114 | 119.7 (3) |
N2—Ag—P1 | 113.12 (5) | C112—C113—H113 | 120.2 |
N2—Ag—P2 | 112.10 (5) | C114—C113—H113 | 120.2 |
P1—Ag—P2 | 122.70 (2) | C113—C114—C115 | 120.4 (3) |
N1—C1—C2 | 109.38 (19) | C113—C114—H114 | 119.8 |
N1—C1—H1A | 109.8 | C115—C114—H114 | 119.8 |
C2—C1—H1A | 109.8 | C110—C115—C114 | 120.1 (3) |
N1—C1—H1B | 109.8 | C110—C115—H115 | 119.9 |
C2—C1—H1B | 109.8 | C114—C115—H115 | 119.9 |
H1A—C1—H1B | 108.2 | C125—C120—C121 | 118.3 (2) |
N2—C2—H2A | 109.9 | C125—C120—P1 | 123.32 (16) |
N2—C2—C1 | 108.8 (2) | C121—C120—P1 | 118.38 (18) |
C1—C2—H2A | 109.9 | C122—C121—C120 | 120.6 (2) |
N2—C2—H2B | 109.9 | C122—C121—H121 | 119.7 |
C1—C2—H2B | 109.9 | C120—C121—H121 | 119.7 |
H2A—C2—H2B | 108.3 | C123—C122—C121 | 120.4 (2) |
N1—C11—C12 | 123.5 (2) | C123—C122—H122 | 119.8 |
N1—C11—H11 | 118.2 | C121—C122—H122 | 119.8 |
C12—C11—H11 | 118.2 | C122—C123—C124 | 119.5 (2) |
C13—C12—C11 | 121.5 (2) | C122—C123—H123 | 120.3 |
C13—C12—H12 | 119.2 | C124—C123—H123 | 120.3 |
C11—C12—H12 | 119.2 | C123—C124—C125 | 120.4 (2) |
C12—C13—C14 | 127.7 (2) | C123—C124—H124 | 119.8 |
C12—C13—H13 | 116.2 | C125—C124—H124 | 119.8 |
C14—C13—H13 | 116.2 | C124—C125—C120 | 120.8 (2) |
C19—C14—C15 | 118.3 (2) | C124—C125—H125 | 119.6 |
C19—C14—C13 | 122.6 (2) | C120—C125—H125 | 119.6 |
C15—C14—C13 | 119.1 (2) | C200—P2—C210 | 104.38 (10) |
C16—C15—C14 | 120.6 (2) | C200—P2—C220 | 103.62 (10) |
C16—C15—H15 | 119.7 | C210—P2—C220 | 103.75 (10) |
C14—C15—H15 | 119.7 | C200—P2—Ag | 114.66 (7) |
C15—C16—C17 | 120.7 (2) | C210—P2—Ag | 116.46 (7) |
C15—C16—H16 | 119.6 | C220—P2—Ag | 112.57 (7) |
C17—C16—H16 | 119.6 | C201—C200—C205 | 119.0 (2) |
C16—C17—C18 | 119.2 (3) | C201—C200—P2 | 118.80 (16) |
C16—C17—H17 | 120.4 | C205—C200—P2 | 122.21 (16) |
C18—C17—H17 | 120.4 | C202—C201—C200 | 120.5 (2) |
C19—C18—C17 | 120.3 (2) | C202—C201—H201 | 119.8 |
C19—C18—H18 | 119.8 | C200—C201—H201 | 119.8 |
C17—C18—H18 | 119.8 | C201—C202—C203 | 120.0 (2) |
C18—C19—C14 | 120.9 (2) | C201—C202—H202 | 120.0 |
C18—C19—H19 | 119.6 | C203—C202—H202 | 120.0 |
C14—C19—H19 | 119.6 | C202—C203—C204 | 119.9 (2) |
N2—C21—C22 | 122.1 (2) | C202—C203—H203 | 120.0 |
N2—C21—H21 | 119.0 | C204—C203—H203 | 120.0 |
C22—C21—H21 | 119.0 | C205—C204—C203 | 120.3 (2) |
C23—C22—C21 | 122.0 (2) | C205—C204—H204 | 119.9 |
C23—C22—H22 | 119.0 | C203—C204—H204 | 119.9 |
C21—C22—H22 | 119.0 | C204—C205—C200 | 120.3 (2) |
C22—C23—C24 | 126.7 (2) | C204—C205—H205 | 119.9 |
C22—C23—H23 | 116.7 | C200—C205—H205 | 119.9 |
C24—C23—H23 | 116.7 | C211—C210—C215 | 118.8 (2) |
C29—C24—C25 | 118.4 (2) | C211—C210—P2 | 117.83 (16) |
C29—C24—C23 | 122.7 (2) | C215—C210—P2 | 123.40 (17) |
C25—C24—C23 | 118.9 (2) | C212—C211—C210 | 120.4 (2) |
C26—C25—C24 | 120.7 (3) | C212—C211—H211 | 119.8 |
C26—C25—H25 | 119.6 | C210—C211—H211 | 119.8 |
C24—C25—H25 | 119.6 | C213—C212—C211 | 120.1 (2) |
C27—C26—C25 | 119.8 (3) | C213—C212—H212 | 120.0 |
C27—C26—H26 | 120.1 | C211—C212—H212 | 120.0 |
C25—C26—H26 | 120.1 | C214—C213—C212 | 120.0 (3) |
C26—C27—C28 | 120.0 (3) | C214—C213—H213 | 120.0 |
C26—C27—H27 | 120.0 | C212—C213—H213 | 120.0 |
C28—C27—H27 | 120.0 | C213—C214—C215 | 120.1 (2) |
C29—C28—C27 | 120.3 (3) | C213—C214—H214 | 119.9 |
C29—C28—H28 | 119.8 | C215—C214—H214 | 119.9 |
C27—C28—H28 | 119.8 | C214—C215—C210 | 120.6 (2) |
C28—C29—C24 | 120.8 (3) | C214—C215—H215 | 119.7 |
C28—C29—H29 | 119.6 | C210—C215—H215 | 119.7 |
C24—C29—H29 | 119.6 | C221—C220—C225 | 119.2 (2) |
C100—P1—C120 | 105.48 (10) | C221—C220—P2 | 122.98 (17) |
C100—P1—C110 | 103.98 (10) | C225—C220—P2 | 117.72 (18) |
C120—P1—C110 | 103.49 (10) | C220—C221—C222 | 120.3 (2) |
C100—P1—Ag | 109.82 (8) | C220—C221—H221 | 119.8 |
C120—P1—Ag | 116.07 (7) | C222—C221—H221 | 119.8 |
C110—P1—Ag | 116.76 (8) | C223—C222—C221 | 120.2 (3) |
C101—C100—C105 | 118.5 (2) | C223—C222—H222 | 119.9 |
C101—C100—P1 | 123.45 (17) | C221—C222—H222 | 119.9 |
C105—C100—P1 | 117.90 (18) | C222—C223—C224 | 120.3 (2) |
C102—C101—C100 | 120.0 (2) | C222—C223—H223 | 119.8 |
C102—C101—H101 | 120.0 | C224—C223—H223 | 119.8 |
C100—C101—H101 | 120.0 | C223—C224—C225 | 119.9 (3) |
C103—C102—C101 | 121.4 (3) | C223—C224—H224 | 120.0 |
C103—C102—H102 | 119.3 | C225—C224—H224 | 120.0 |
C101—C102—H102 | 119.3 | C220—C225—C224 | 120.1 (3) |
C102—C103—C104 | 119.4 (3) | C220—C225—H225 | 120.0 |
C102—C103—H103 | 120.3 | C224—C225—H225 | 120.0 |
C104—C103—H103 | 120.3 | N70—C70—C71 | 179.2 (5) |
C105—C104—C103 | 120.2 (3) | N72—C72—C73 | 167.8 (13) |
C105—C104—H104 | 119.9 | O31—N3—O33 | 134.6 (6) |
C103—C104—H104 | 119.9 | O31—N3—O32 | 104.0 (5) |
C104—C105—C100 | 120.5 (2) | O33—N3—O32 | 120.8 (5) |
C104—C105—H105 | 119.7 | O32A—N3A—O31A | 123.2 (11) |
C100—C105—H105 | 119.7 | O32A—N3A—O33A | 127.8 (13) |
C115—C110—C111 | 118.6 (2) | O31A—N3A—O33A | 108.8 (11) |
| | | |
N1—C1—C2—N2 | 62.3 (3) | C115—C110—C111—C112 | −3.0 (4) |
C2—C1—N1—C11 | 135.3 (2) | P1—C110—C111—C112 | 176.1 (2) |
C2—C1—N1—Ag | −47.1 (2) | C110—C111—C112—C113 | 1.5 (5) |
N2—Ag—N1—C11 | −165.0 (3) | C111—C112—C113—C114 | 1.1 (5) |
P2—Ag—N1—C11 | −58.3 (2) | C112—C113—C114—C115 | −2.2 (6) |
P1—Ag—N1—C11 | 84.8 (2) | C111—C110—C115—C114 | 1.9 (5) |
N2—Ag—N1—C1 | 17.88 (16) | P1—C110—C115—C114 | −177.2 (3) |
P2—Ag—N1—C1 | 124.58 (15) | C113—C114—C115—C110 | 0.7 (6) |
P1—Ag—N1—C1 | −92.34 (16) | C100—P1—C120—C125 | 80.8 (2) |
C1—N1—C11—C12 | 178.2 (2) | C110—P1—C120—C125 | −28.1 (2) |
Ag—N1—C11—C12 | 1.3 (4) | Ag—P1—C120—C125 | −157.38 (17) |
N1—C11—C12—C13 | −171.8 (3) | C100—P1—C120—C121 | −100.93 (19) |
C11—C12—C13—C14 | 176.9 (3) | C110—P1—C120—C121 | 150.15 (18) |
C12—C13—C14—C19 | 8.2 (5) | Ag—P1—C120—C121 | 20.9 (2) |
C12—C13—C14—C15 | −173.5 (3) | C125—C120—C121—C122 | 0.8 (3) |
C19—C14—C15—C16 | −0.6 (4) | P1—C120—C121—C122 | −177.58 (19) |
C13—C14—C15—C16 | −179.0 (3) | C120—C121—C122—C123 | 0.0 (4) |
C14—C15—C16—C17 | 0.0 (5) | C121—C122—C123—C124 | 0.0 (4) |
C15—C16—C17—C18 | 0.7 (5) | C122—C123—C124—C125 | −0.7 (4) |
C16—C17—C18—C19 | −0.9 (5) | C123—C124—C125—C120 | 1.4 (4) |
C17—C18—C19—C14 | 0.3 (4) | C121—C120—C125—C124 | −1.5 (3) |
C15—C14—C19—C18 | 0.5 (4) | P1—C120—C125—C124 | 176.80 (19) |
C13—C14—C19—C18 | 178.8 (3) | N2—Ag—P2—C200 | 159.81 (9) |
C1—C2—N2—C21 | 128.8 (2) | N1—Ag—P2—C200 | 76.10 (10) |
C1—C2—N2—Ag | −43.3 (2) | P1—Ag—P2—C200 | −60.36 (8) |
N1—Ag—N2—C21 | −156.7 (2) | N2—Ag—P2—C210 | 37.56 (9) |
P2—Ag—N2—C21 | 87.2 (2) | N1—Ag—P2—C210 | −46.15 (9) |
P1—Ag—N2—C21 | −56.7 (2) | P1—Ag—P2—C210 | 177.39 (7) |
N1—Ag—N2—C2 | 14.09 (15) | N2—Ag—P2—C220 | −82.07 (10) |
P2—Ag—N2—C2 | −102.06 (15) | N1—Ag—P2—C220 | −165.78 (10) |
P1—Ag—N2—C2 | 114.11 (15) | P1—Ag—P2—C220 | 57.76 (9) |
C2—N2—C21—C22 | −176.5 (2) | C210—P2—C200—C201 | 148.19 (16) |
Ag—N2—C21—C22 | −6.5 (3) | C220—P2—C200—C201 | −103.47 (17) |
N2—C21—C22—C23 | 178.6 (2) | Ag—P2—C200—C201 | 19.60 (18) |
C21—C22—C23—C24 | −176.7 (2) | C210—P2—C200—C205 | −33.55 (19) |
C22—C23—C24—C29 | 1.2 (4) | C220—P2—C200—C205 | 74.79 (19) |
C22—C23—C24—C25 | 179.0 (2) | Ag—P2—C200—C205 | −162.14 (15) |
C29—C24—C25—C26 | −0.3 (4) | C205—C200—C201—C202 | −0.8 (3) |
C23—C24—C25—C26 | −178.2 (2) | P2—C200—C201—C202 | 177.49 (16) |
C24—C25—C26—C27 | 0.4 (4) | C200—C201—C202—C203 | 0.8 (3) |
C25—C26—C27—C28 | 0.3 (5) | C201—C202—C203—C204 | −0.5 (3) |
C26—C27—C28—C29 | −1.0 (5) | C202—C203—C204—C205 | 0.3 (3) |
C27—C28—C29—C24 | 1.1 (5) | C203—C204—C205—C200 | −0.3 (3) |
C25—C24—C29—C28 | −0.4 (4) | C201—C200—C205—C204 | 0.6 (3) |
C23—C24—C29—C28 | 177.3 (3) | P2—C200—C205—C204 | −177.68 (17) |
N2—Ag—P1—C100 | −150.63 (8) | C200—P2—C210—C211 | −87.97 (18) |
N1—Ag—P1—C100 | −71.80 (9) | C220—P2—C210—C211 | 163.79 (17) |
P2—Ag—P1—C100 | 69.90 (8) | Ag—P2—C210—C211 | 39.52 (19) |
N2—Ag—P1—C120 | 89.88 (9) | C200—P2—C210—C215 | 91.2 (2) |
N1—Ag—P1—C120 | 168.71 (9) | C220—P2—C210—C215 | −17.1 (2) |
P2—Ag—P1—C120 | −49.59 (8) | Ag—P2—C210—C215 | −141.35 (18) |
N2—Ag—P1—C110 | −32.64 (9) | C215—C210—C211—C212 | −1.1 (3) |
N1—Ag—P1—C110 | 46.19 (9) | P2—C210—C211—C212 | 178.03 (18) |
P2—Ag—P1—C110 | −172.11 (8) | C210—C211—C212—C213 | 1.1 (4) |
C120—P1—C100—C101 | 8.2 (2) | C211—C212—C213—C214 | −0.5 (4) |
C110—P1—C100—C101 | 116.7 (2) | C212—C213—C214—C215 | 0.1 (4) |
Ag—P1—C100—C101 | −117.6 (2) | C213—C214—C215—C210 | −0.1 (4) |
C120—P1—C100—C105 | −177.03 (19) | C211—C210—C215—C214 | 0.7 (4) |
C110—P1—C100—C105 | −68.5 (2) | P2—C210—C215—C214 | −178.5 (2) |
Ag—P1—C100—C105 | 57.2 (2) | C200—P2—C220—C221 | 5.8 (2) |
C105—C100—C101—C102 | −0.2 (4) | C210—P2—C220—C221 | 114.6 (2) |
P1—C100—C101—C102 | 174.6 (2) | Ag—P2—C220—C221 | −118.63 (19) |
C100—C101—C102—C103 | 0.5 (4) | C200—P2—C220—C225 | −178.39 (19) |
C101—C102—C103—C104 | −0.4 (5) | C210—P2—C220—C225 | −69.6 (2) |
C102—C103—C104—C105 | 0.1 (5) | Ag—P2—C220—C225 | 57.2 (2) |
C103—C104—C105—C100 | 0.1 (4) | C225—C220—C221—C222 | 0.1 (4) |
C101—C100—C105—C104 | −0.1 (4) | P2—C220—C221—C222 | 175.8 (2) |
P1—C100—C105—C104 | −175.2 (2) | C220—C221—C222—C223 | 0.3 (4) |
C100—P1—C110—C115 | −16.2 (3) | C221—C222—C223—C224 | −0.4 (4) |
C120—P1—C110—C115 | 93.8 (2) | C222—C223—C224—C225 | 0.0 (4) |
Ag—P1—C110—C115 | −137.3 (2) | C221—C220—C225—C224 | −0.4 (4) |
C100—P1—C110—C111 | 164.8 (2) | P2—C220—C225—C224 | −176.4 (2) |
C120—P1—C110—C111 | −85.2 (2) | C223—C224—C225—C220 | 0.4 (4) |
Ag—P1—C110—C111 | 43.6 (2) | | |