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Supporting information
![]() | Crystallographic Information File (CIF) https://doi.org/10.1107/S1600536806037846/ng2103sup1.cif |
![]() | Structure factor file (CIF format) https://doi.org/10.1107/S1600536806037846/ng2103Isup2.hkl |
CCDC reference: 624936
Key indicators
- Single-crystal X-ray study
- T = 293 K
- Mean
(C-C) = 0.007 Å
- R factor = 0.045
- wR factor = 0.126
- Data-to-parameter ratio = 21.5
checkCIF/PLATON results
No syntax errors found
Alert level B PLAT241_ALERT_2_B Check High Ueq as Compared to Neighbors for O3 PLAT242_ALERT_2_B Check Low Ueq as Compared to Neighbors for C3
Alert level C PLAT094_ALERT_2_C Ratio of Maximum / Minimum Residual Density .... 2.59 PLAT220_ALERT_2_C Large Non-Solvent C Ueq(max)/Ueq(min) ... 2.96 Ratio PLAT222_ALERT_3_C Large Non-Solvent H Ueq(max)/Ueq(min) ... 3.14 Ratio PLAT232_ALERT_2_C Hirshfeld Test Diff (M-X) Ag2 - O1 .. 5.16 su PLAT242_ALERT_2_C Check Low Ueq as Compared to Neighbors for C1 PLAT242_ALERT_2_C Check Low Ueq as Compared to Neighbors for C14 PLAT242_ALERT_2_C Check Low Ueq as Compared to Neighbors for C24 PLAT242_ALERT_2_C Check Low Ueq as Compared to Neighbors for C54 PLAT242_ALERT_2_C Check Low Ueq as Compared to Neighbors for C64
Alert level G PLAT199_ALERT_1_G Check the Reported _cell_measurement_temperature 293 K PLAT200_ALERT_1_G Check the Reported _diffrn_ambient_temperature . 293 K
0 ALERT level A = In general: serious problem 2 ALERT level B = Potentially serious problem 9 ALERT level C = Check and explain 2 ALERT level G = General alerts; check 2 ALERT type 1 CIF construction/syntax error, inconsistent or missing data 10 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 0 ALERT type 4 Improvement, methodology, query or suggestion 0 ALERT type 5 Informative message, check
Data collection: SMART-NT (Bruker, 1998); cell refinement: SAINT-Plus (Bruker, 1999); data reduction: SAINT-Plus and XPREP (Bruker, 1999); program(s) used to solve structure: SIR97 (Altomare et al., 1999); program(s) used to refine structure: SHELXL97 (Sheldrick, 1997); molecular graphics: DIAMOND (Brandenburg & Putz, 2005); software used to prepare material for publication: WinGX (Farrugia, 1999).
[Ag2(C2H3O2)2(C14H21P)] | F(000) = 1920 |
Mr = 942.52 | Dx = 1.449 Mg m−3 |
Monoclinic, P2/c | Mo Kα radiation, λ = 0.71069 Å |
Hall symbol: -P 2yc | Cell parameters from 963 reflections |
a = 18.621 (5) Å | θ = 2.7–23.5° |
b = 10.254 (5) Å | µ = 1.02 mm−1 |
c = 23.481 (5) Å | T = 293 K |
β = 105.456 (5)° | Cuboid, colourless |
V = 4321 (3) Å3 | 0.37 × 0.36 × 0.12 mm |
Z = 4 |
Bruker SMART CCD 1K area-detector diffractometer | 10655 independent reflections |
Radiation source: fine-focus sealed tube | 5873 reflections with I > 2σ(I) |
Graphite monochromator | Rint = 0.044 |
φ and ω scans | θmax = 28.3°, θmin = 1.8° |
Absorption correction: multi-scan (SADABS; Bruker, 1998) | h = −24→12 |
Tmin = 0.704, Tmax = 0.887 | k = −13→12 |
29517 measured reflections | l = −30→31 |
Refinement on F2 | 0 restraints |
Least-squares matrix: full | H-atom parameters constrained |
R[F2 > 2σ(F2)] = 0.045 | w = 1/[σ2(Fo2) + (0.0509P)2 + 2.6206P] where P = (Fo2 + 2Fc2)/3 |
wR(F2) = 0.126 | (Δ/σ)max = 0.003 |
S = 1.00 | Δρmax = 1.81 e Å−3 |
10655 reflections | Δρmin = −0.70 e Å−3 |
495 parameters |
Experimental. The intensity data was collected on a Siemens SMART CCD 1 K diffractometer using an exposure time of 10 s/frame. A total of 1315 frames were collected with a frame width of 0.3° covering up to θ = 28.32° with 99.0% completeness accomplished. The first 50 frames were recollected at the end of each data collection to check for decay; none was found. |
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. |
x | y | z | Uiso*/Ueq | ||
C1 | 0.3129 (3) | 0.7364 (4) | 0.28231 (19) | 0.0558 (11) | |
C2 | 0.3581 (3) | 0.6261 (5) | 0.3165 (2) | 0.0844 (16) | |
H2A | 0.409 | 0.6535 | 0.3315 | 0.127* | |
H2B | 0.356 | 0.5524 | 0.2909 | 0.127* | |
H2C | 0.3383 | 0.6022 | 0.3488 | 0.127* | |
C3 | 0.1257 (3) | 0.6785 (4) | 0.18523 (19) | 0.0587 (11) | |
C4 | 0.0710 (3) | 0.6075 (6) | 0.2089 (3) | 0.114 (2) | |
H4A | 0.0677 | 0.6479 | 0.245 | 0.17* | |
H4B | 0.0866 | 0.5185 | 0.2165 | 0.17* | |
H4C | 0.0231 | 0.61 | 0.1806 | 0.17* | |
C11 | 0.1749 (2) | 1.2614 (4) | 0.26607 (17) | 0.0456 (9) | |
C12 | 0.1042 (2) | 1.2491 (4) | 0.27388 (19) | 0.0578 (11) | |
H12 | 0.0691 | 1.1974 | 0.248 | 0.069* | |
C13 | 0.0851 (2) | 1.3126 (5) | 0.3196 (2) | 0.0672 (12) | |
H13 | 0.0374 | 1.302 | 0.3243 | 0.081* | |
C14 | 0.1354 (2) | 1.3916 (5) | 0.35853 (18) | 0.0590 (11) | |
C15 | 0.2062 (3) | 1.4014 (5) | 0.35093 (19) | 0.0650 (12) | |
H15 | 0.2414 | 1.453 | 0.3768 | 0.078* | |
C16 | 0.2260 (2) | 1.3372 (4) | 0.30624 (18) | 0.0586 (11) | |
H16 | 0.2744 | 1.3446 | 0.3028 | 0.07* | |
C17 | 0.1150 (3) | 1.4604 (6) | 0.4085 (2) | 0.0968 (19) | |
H17A | 0.1251 | 1.4043 | 0.4424 | 0.145* | |
H17B | 0.063 | 1.4821 | 0.3969 | 0.145* | |
H17C | 0.144 | 1.5387 | 0.4181 | 0.145* | |
C21 | 0.2820 (2) | 1.2357 (4) | 0.19573 (17) | 0.0461 (9) | |
C22 | 0.2927 (2) | 1.3695 (4) | 0.19240 (18) | 0.0553 (10) | |
H22 | 0.2566 | 1.427 | 0.198 | 0.066* | |
C23 | 0.3568 (3) | 1.4173 (4) | 0.18080 (19) | 0.0620 (12) | |
H23 | 0.3633 | 1.507 | 0.179 | 0.074* | |
C24 | 0.4110 (3) | 1.3353 (5) | 0.17189 (19) | 0.0641 (12) | |
C25 | 0.3996 (3) | 1.2045 (5) | 0.1746 (2) | 0.0740 (14) | |
H25 | 0.4353 | 1.1475 | 0.1678 | 0.089* | |
C26 | 0.3370 (2) | 1.1537 (4) | 0.18706 (19) | 0.0610 (11) | |
H26 | 0.3318 | 1.0639 | 0.1896 | 0.073* | |
C27 | 0.4805 (3) | 1.3906 (7) | 0.1584 (3) | 0.105 (2) | |
H27A | 0.5114 | 1.431 | 0.1933 | 0.157* | |
H27B | 0.4663 | 1.4543 | 0.1275 | 0.157* | |
H27C | 0.5076 | 1.3215 | 0.146 | 0.157* | |
C31 | 0.1248 (2) | 1.1937 (4) | 0.14181 (17) | 0.0481 (9) | |
C32 | 0.0741 (2) | 1.0948 (4) | 0.11936 (19) | 0.0585 (11) | |
H32 | 0.0781 | 1.0152 | 0.139 | 0.07* | |
C33 | 0.0177 (3) | 1.1140 (5) | 0.06785 (19) | 0.0648 (12) | |
H33 | −0.0163 | 1.0472 | 0.0542 | 0.078* | |
C34 | 0.0105 (3) | 1.2280 (4) | 0.03662 (19) | 0.0611 (12) | |
C35 | 0.0610 (3) | 1.3253 (4) | 0.0588 (2) | 0.0678 (13) | |
H35 | 0.0577 | 1.4037 | 0.0384 | 0.081* | |
C36 | 0.1171 (3) | 1.3095 (4) | 0.1113 (2) | 0.0626 (12) | |
H36 | 0.1497 | 1.3779 | 0.1257 | 0.075* | |
C37 | −0.0492 (3) | 1.2474 (5) | −0.0208 (2) | 0.0908 (18) | |
H37A | −0.034 | 1.2062 | −0.0524 | 0.136* | |
H37B | −0.0564 | 1.3389 | −0.0288 | 0.136* | |
H37C | −0.095 | 1.2092 | −0.0176 | 0.136* | |
C41 | 0.3963 (2) | 0.8778 (4) | 0.08948 (15) | 0.0452 (9) | |
C42 | 0.4422 (2) | 0.8521 (4) | 0.14584 (17) | 0.0536 (10) | |
H42 | 0.4257 | 0.7975 | 0.1713 | 0.064* | |
C43 | 0.5123 (2) | 0.9079 (4) | 0.16380 (18) | 0.0586 (11) | |
H43 | 0.5429 | 0.8877 | 0.201 | 0.07* | |
C44 | 0.5376 (2) | 0.9919 (4) | 0.12825 (17) | 0.0506 (10) | |
C45 | 0.4916 (2) | 1.0185 (4) | 0.07306 (18) | 0.0558 (11) | |
H45 | 0.5078 | 1.0752 | 0.0482 | 0.067* | |
C46 | 0.4218 (2) | 0.9627 (4) | 0.05394 (17) | 0.0550 (11) | |
H46 | 0.3917 | 0.9828 | 0.0166 | 0.066* | |
C47 | 0.6136 (3) | 1.0565 (5) | 0.1485 (2) | 0.0790 (15) | |
H47A | 0.629 | 1.0595 | 0.1909 | 0.119* | |
H47B | 0.6107 | 1.1436 | 0.1331 | 0.119* | |
H47C | 0.6492 | 1.0073 | 0.1344 | 0.119* | |
C51 | 0.2517 (2) | 0.9018 (4) | 0.00712 (17) | 0.0467 (9) | |
C52 | 0.2135 (3) | 1.0068 (5) | 0.0215 (2) | 0.0689 (12) | |
H52 | 0.216 | 1.0232 | 0.0609 | 0.083* | |
C53 | 0.1718 (3) | 1.0877 (5) | −0.0217 (3) | 0.0812 (15) | |
H53 | 0.1477 | 1.1592 | −0.0109 | 0.097* | |
C54 | 0.1654 (3) | 1.0645 (5) | −0.0809 (2) | 0.0680 (13) | |
C55 | 0.2035 (3) | 0.9600 (5) | −0.0949 (2) | 0.0692 (13) | |
H55 | 0.2011 | 0.9437 | −0.1343 | 0.083* | |
C56 | 0.2454 (2) | 0.8787 (4) | −0.05187 (17) | 0.0583 (11) | |
H56 | 0.2697 | 0.8075 | −0.0628 | 0.07* | |
C57 | 0.1186 (4) | 1.1512 (7) | −0.1297 (3) | 0.119 (2) | |
H57A | 0.1508 | 1.1985 | −0.1481 | 0.178* | |
H57B | 0.0905 | 1.2115 | −0.1129 | 0.178* | |
H57C | 0.0852 | 1.098 | −0.1586 | 0.178* | |
C61 | 0.3233 (2) | 0.6473 (4) | 0.03345 (17) | 0.0539 (10) | |
C62 | 0.3786 (3) | 0.6308 (5) | 0.0042 (2) | 0.0670 (12) | |
H62 | 0.4077 | 0.7016 | −0.0005 | 0.08* | |
C63 | 0.3908 (3) | 0.5093 (6) | −0.0180 (2) | 0.0790 (15) | |
H63 | 0.4277 | 0.5003 | −0.0377 | 0.095* | |
C64 | 0.3490 (4) | 0.4022 (5) | −0.0113 (2) | 0.0844 (17) | |
C65 | 0.2946 (4) | 0.4181 (5) | 0.0175 (2) | 0.0886 (18) | |
H65 | 0.2658 | 0.347 | 0.0224 | 0.106* | |
C66 | 0.2819 (3) | 0.5381 (5) | 0.0392 (2) | 0.0690 (13) | |
H66 | 0.2444 | 0.5462 | 0.0584 | 0.083* | |
C67 | 0.3660 (5) | 0.2696 (5) | −0.0333 (3) | 0.134 (3) | |
H67A | 0.3273 | 0.2462 | −0.0677 | 0.201* | |
H67B | 0.3686 | 0.2057 | −0.0029 | 0.201* | |
H67C | 0.4128 | 0.273 | −0.0431 | 0.201* | |
O1 | 0.32931 (18) | 0.7763 (3) | 0.23721 (14) | 0.0754 (9) | |
O2 | 0.2626 (2) | 0.7844 (3) | 0.30126 (14) | 0.0684 (8) | |
O3 | 0.1232 (2) | 0.7982 (3) | 0.18108 (18) | 0.1057 (15) | |
O4 | 0.17277 (19) | 0.6122 (3) | 0.16926 (15) | 0.0751 (9) | |
P1 | 0.19871 (6) | 1.16310 (10) | 0.20889 (5) | 0.0472 (3) | |
P2 | 0.30518 (6) | 0.80006 (11) | 0.06660 (4) | 0.0504 (3) | |
Ag1 | 0.21343 (2) | 0.94313 (3) | 0.237484 (15) | 0.06124 (12) | |
Ag2 | 0.24707 (2) | 0.75609 (4) | 0.141290 (15) | 0.06766 (13) |
U11 | U22 | U33 | U12 | U13 | U23 | |
C1 | 0.061 (3) | 0.049 (2) | 0.052 (2) | −0.007 (2) | 0.005 (2) | −0.002 (2) |
C2 | 0.093 (4) | 0.059 (3) | 0.093 (4) | 0.011 (3) | 0.010 (3) | 0.013 (3) |
C3 | 0.061 (3) | 0.048 (3) | 0.059 (3) | −0.008 (2) | 0.001 (2) | 0.004 (2) |
C4 | 0.090 (4) | 0.116 (5) | 0.161 (6) | 0.016 (4) | 0.079 (4) | 0.036 (5) |
C11 | 0.038 (2) | 0.046 (2) | 0.048 (2) | 0.0001 (17) | 0.0054 (17) | 0.0074 (17) |
C12 | 0.044 (2) | 0.066 (3) | 0.059 (3) | −0.010 (2) | 0.007 (2) | −0.013 (2) |
C13 | 0.041 (2) | 0.095 (4) | 0.066 (3) | −0.007 (2) | 0.015 (2) | −0.005 (3) |
C14 | 0.056 (3) | 0.073 (3) | 0.050 (2) | −0.004 (2) | 0.018 (2) | −0.003 (2) |
C15 | 0.062 (3) | 0.077 (3) | 0.054 (3) | −0.024 (2) | 0.012 (2) | −0.015 (2) |
C16 | 0.043 (2) | 0.072 (3) | 0.059 (3) | −0.014 (2) | 0.010 (2) | −0.004 (2) |
C17 | 0.092 (4) | 0.124 (5) | 0.080 (4) | −0.016 (4) | 0.033 (3) | −0.031 (3) |
C21 | 0.041 (2) | 0.046 (2) | 0.049 (2) | 0.0027 (17) | 0.0077 (18) | −0.0015 (17) |
C22 | 0.049 (2) | 0.053 (3) | 0.064 (3) | 0.007 (2) | 0.015 (2) | 0.005 (2) |
C23 | 0.058 (3) | 0.062 (3) | 0.064 (3) | −0.008 (2) | 0.012 (2) | 0.010 (2) |
C24 | 0.052 (3) | 0.083 (3) | 0.059 (3) | −0.010 (3) | 0.017 (2) | −0.003 (2) |
C25 | 0.054 (3) | 0.088 (4) | 0.087 (3) | 0.011 (3) | 0.029 (3) | −0.013 (3) |
C26 | 0.055 (3) | 0.054 (3) | 0.072 (3) | 0.003 (2) | 0.015 (2) | −0.012 (2) |
C27 | 0.071 (4) | 0.139 (5) | 0.114 (5) | −0.016 (4) | 0.041 (3) | 0.006 (4) |
C31 | 0.047 (2) | 0.043 (2) | 0.050 (2) | 0.0028 (18) | 0.0046 (18) | −0.0039 (17) |
C32 | 0.057 (3) | 0.051 (2) | 0.062 (3) | −0.007 (2) | 0.006 (2) | −0.001 (2) |
C33 | 0.059 (3) | 0.060 (3) | 0.064 (3) | −0.011 (2) | −0.002 (2) | −0.011 (2) |
C34 | 0.056 (3) | 0.063 (3) | 0.055 (2) | 0.011 (2) | −0.002 (2) | −0.012 (2) |
C35 | 0.072 (3) | 0.049 (3) | 0.070 (3) | 0.007 (2) | −0.001 (3) | 0.007 (2) |
C36 | 0.060 (3) | 0.047 (2) | 0.069 (3) | −0.008 (2) | −0.004 (2) | −0.002 (2) |
C37 | 0.091 (4) | 0.083 (4) | 0.073 (3) | 0.011 (3) | −0.022 (3) | −0.008 (3) |
C41 | 0.042 (2) | 0.055 (2) | 0.041 (2) | −0.0030 (18) | 0.0145 (17) | −0.0040 (17) |
C42 | 0.053 (3) | 0.060 (3) | 0.047 (2) | 0.003 (2) | 0.012 (2) | 0.0075 (19) |
C43 | 0.044 (2) | 0.077 (3) | 0.047 (2) | 0.002 (2) | −0.0007 (19) | 0.005 (2) |
C44 | 0.039 (2) | 0.060 (2) | 0.051 (2) | 0.0022 (19) | 0.0072 (19) | −0.007 (2) |
C45 | 0.055 (3) | 0.064 (3) | 0.051 (2) | −0.010 (2) | 0.018 (2) | 0.003 (2) |
C46 | 0.049 (2) | 0.072 (3) | 0.041 (2) | −0.010 (2) | 0.0083 (19) | 0.0019 (19) |
C47 | 0.049 (3) | 0.101 (4) | 0.081 (3) | −0.011 (3) | 0.007 (3) | −0.003 (3) |
C51 | 0.041 (2) | 0.052 (2) | 0.048 (2) | −0.0066 (18) | 0.0136 (18) | −0.0035 (18) |
C52 | 0.066 (3) | 0.083 (3) | 0.062 (3) | 0.002 (3) | 0.025 (2) | −0.013 (3) |
C53 | 0.076 (4) | 0.073 (3) | 0.101 (4) | 0.021 (3) | 0.035 (3) | −0.006 (3) |
C54 | 0.053 (3) | 0.072 (3) | 0.078 (3) | 0.005 (2) | 0.017 (2) | 0.012 (3) |
C55 | 0.070 (3) | 0.080 (3) | 0.052 (3) | 0.004 (3) | 0.007 (2) | −0.002 (2) |
C56 | 0.064 (3) | 0.062 (3) | 0.046 (2) | 0.007 (2) | 0.010 (2) | −0.005 (2) |
C57 | 0.103 (5) | 0.127 (6) | 0.123 (5) | 0.043 (4) | 0.026 (4) | 0.052 (4) |
C61 | 0.054 (3) | 0.058 (3) | 0.045 (2) | 0.000 (2) | 0.005 (2) | 0.0055 (19) |
C62 | 0.063 (3) | 0.067 (3) | 0.071 (3) | 0.000 (2) | 0.016 (2) | −0.001 (2) |
C63 | 0.078 (4) | 0.079 (4) | 0.074 (3) | 0.019 (3) | 0.010 (3) | −0.007 (3) |
C64 | 0.108 (5) | 0.056 (3) | 0.071 (3) | 0.011 (3) | −0.009 (3) | 0.007 (3) |
C65 | 0.119 (5) | 0.057 (3) | 0.076 (4) | −0.019 (3) | 0.002 (4) | 0.015 (3) |
C66 | 0.077 (3) | 0.065 (3) | 0.060 (3) | −0.012 (3) | 0.010 (2) | 0.012 (2) |
C67 | 0.200 (8) | 0.062 (4) | 0.125 (6) | 0.037 (4) | 0.016 (6) | −0.003 (3) |
O1 | 0.063 (2) | 0.108 (3) | 0.0535 (18) | −0.0179 (18) | 0.0114 (16) | 0.0101 (17) |
O2 | 0.082 (2) | 0.0602 (19) | 0.0668 (19) | 0.0099 (17) | 0.0256 (18) | 0.0100 (15) |
O3 | 0.104 (3) | 0.0413 (19) | 0.133 (3) | 0.0003 (18) | −0.036 (2) | −0.0016 (19) |
O4 | 0.074 (2) | 0.068 (2) | 0.096 (2) | −0.0101 (18) | 0.045 (2) | −0.0028 (18) |
P1 | 0.0411 (6) | 0.0417 (6) | 0.0543 (6) | 0.0006 (4) | 0.0047 (5) | 0.0005 (4) |
P2 | 0.0490 (6) | 0.0622 (7) | 0.0408 (5) | −0.0108 (5) | 0.0130 (5) | −0.0004 (5) |
Ag1 | 0.0659 (2) | 0.04512 (18) | 0.0699 (2) | 0.00647 (16) | 0.01319 (18) | 0.00499 (15) |
Ag2 | 0.0653 (2) | 0.0889 (3) | 0.0556 (2) | −0.01477 (19) | 0.02793 (17) | 0.00420 (18) |
C1—O2 | 1.242 (5) | C37—H37B | 0.96 |
C1—O1 | 1.247 (5) | C37—H37C | 0.96 |
C1—C2 | 1.507 (6) | C41—C46 | 1.375 (5) |
C2—H2A | 0.96 | C41—C42 | 1.396 (5) |
C2—H2B | 0.96 | C41—P2 | 1.821 (4) |
C2—H2C | 0.96 | C42—C43 | 1.384 (6) |
C3—O3 | 1.232 (5) | C42—H42 | 0.93 |
C3—O4 | 1.244 (5) | C43—C44 | 1.368 (6) |
C3—C4 | 1.476 (7) | C43—H43 | 0.93 |
C4—H4A | 0.96 | C44—C45 | 1.377 (5) |
C4—H4B | 0.96 | C44—C47 | 1.519 (6) |
C4—H4C | 0.96 | C45—C46 | 1.380 (6) |
C11—C12 | 1.383 (6) | C45—H45 | 0.93 |
C11—C16 | 1.386 (5) | C46—H46 | 0.93 |
C11—P1 | 1.825 (4) | C47—H47A | 0.96 |
C12—C13 | 1.381 (6) | C47—H47B | 0.96 |
C12—H12 | 0.93 | C47—H47C | 0.96 |
C13—C14 | 1.383 (6) | C51—C56 | 1.379 (5) |
C13—H13 | 0.93 | C51—C52 | 1.380 (6) |
C14—C15 | 1.381 (6) | C51—P2 | 1.814 (4) |
C14—C17 | 1.501 (7) | C52—C53 | 1.378 (7) |
C15—C16 | 1.370 (6) | C52—H52 | 0.93 |
C15—H15 | 0.93 | C53—C54 | 1.383 (7) |
C16—H16 | 0.93 | C53—H53 | 0.93 |
C17—H17A | 0.96 | C54—C55 | 1.372 (7) |
C17—H17B | 0.96 | C54—C57 | 1.526 (7) |
C17—H17C | 0.96 | C55—C56 | 1.380 (6) |
C21—C26 | 1.382 (6) | C55—H55 | 0.93 |
C21—C22 | 1.392 (5) | C56—H56 | 0.93 |
C21—P1 | 1.819 (4) | C57—H57A | 0.96 |
C22—C23 | 1.383 (6) | C57—H57B | 0.96 |
C22—H22 | 0.93 | C57—H57C | 0.96 |
C23—C24 | 1.372 (6) | C61—C66 | 1.387 (6) |
C23—H23 | 0.93 | C61—C62 | 1.390 (6) |
C24—C25 | 1.362 (7) | C61—P2 | 1.821 (4) |
C24—C27 | 1.521 (7) | C62—C63 | 1.392 (7) |
C25—C26 | 1.377 (6) | C62—H62 | 0.93 |
C25—H25 | 0.93 | C63—C64 | 1.379 (8) |
C26—H26 | 0.93 | C63—H63 | 0.93 |
C27—H27A | 0.96 | C64—C65 | 1.370 (8) |
C27—H27B | 0.96 | C64—C67 | 1.517 (8) |
C27—H27C | 0.96 | C65—C66 | 1.376 (7) |
C31—C36 | 1.375 (6) | C65—H65 | 0.93 |
C31—C32 | 1.390 (5) | C66—H66 | 0.93 |
C31—P1 | 1.822 (4) | C67—H67A | 0.96 |
C32—C33 | 1.389 (6) | C67—H67B | 0.96 |
C32—H32 | 0.93 | C67—H67C | 0.96 |
C33—C34 | 1.368 (6) | O1—Ag2 | 2.371 (3) |
C33—H33 | 0.93 | O2—Ag1 | 2.235 (3) |
C34—C35 | 1.374 (6) | O3—Ag1 | 2.366 (3) |
C34—C37 | 1.515 (6) | O4—Ag2 | 2.237 (3) |
C35—C36 | 1.397 (6) | P1—Ag1 | 2.3485 (15) |
C35—H35 | 0.93 | P2—Ag2 | 2.3372 (12) |
C36—H36 | 0.93 | Ag1—Ag2 | 3.1507 (9) |
C37—H37A | 0.96 | ||
O2—C1—O1 | 123.6 (4) | C41—C42—H42 | 120 |
O2—C1—C2 | 118.4 (4) | C44—C43—C42 | 121.7 (4) |
O1—C1—C2 | 118.0 (5) | C44—C43—H43 | 119.2 |
C1—C2—H2A | 109.5 | C42—C43—H43 | 119.2 |
C1—C2—H2B | 109.5 | C43—C44—C45 | 118.0 (4) |
H2A—C2—H2B | 109.5 | C43—C44—C47 | 121.8 (4) |
C1—C2—H2C | 109.5 | C45—C44—C47 | 120.2 (4) |
H2A—C2—H2C | 109.5 | C44—C45—C46 | 121.3 (4) |
H2B—C2—H2C | 109.5 | C44—C45—H45 | 119.3 |
O3—C3—O4 | 122.3 (5) | C46—C45—H45 | 119.3 |
O3—C3—C4 | 120.5 (5) | C41—C46—C45 | 120.8 (4) |
O4—C3—C4 | 117.2 (4) | C41—C46—H46 | 119.6 |
C3—C4—H4A | 109.5 | C45—C46—H46 | 119.6 |
C3—C4—H4B | 109.5 | C44—C47—H47A | 109.5 |
H4A—C4—H4B | 109.5 | C44—C47—H47B | 109.5 |
C3—C4—H4C | 109.5 | H47A—C47—H47B | 109.5 |
H4A—C4—H4C | 109.5 | C44—C47—H47C | 109.5 |
H4B—C4—H4C | 109.5 | H47A—C47—H47C | 109.5 |
C12—C11—C16 | 117.7 (4) | H47B—C47—H47C | 109.5 |
C12—C11—P1 | 118.3 (3) | C56—C51—C52 | 117.9 (4) |
C16—C11—P1 | 123.6 (3) | C56—C51—P2 | 123.8 (3) |
C13—C12—C11 | 120.8 (4) | C52—C51—P2 | 118.3 (3) |
C13—C12—H12 | 119.6 | C53—C52—C51 | 121.0 (4) |
C11—C12—H12 | 119.6 | C53—C52—H52 | 119.5 |
C12—C13—C14 | 121.4 (4) | C51—C52—H52 | 119.5 |
C12—C13—H13 | 119.3 | C52—C53—C54 | 121.1 (5) |
C14—C13—H13 | 119.3 | C52—C53—H53 | 119.5 |
C15—C14—C13 | 117.3 (4) | C54—C53—H53 | 119.5 |
C15—C14—C17 | 121.0 (4) | C55—C54—C53 | 117.6 (4) |
C13—C14—C17 | 121.6 (4) | C55—C54—C57 | 120.2 (5) |
C16—C15—C14 | 121.7 (4) | C53—C54—C57 | 122.2 (5) |
C16—C15—H15 | 119.2 | C54—C55—C56 | 121.6 (4) |
C14—C15—H15 | 119.2 | C54—C55—H55 | 119.2 |
C15—C16—C11 | 121.0 (4) | C56—C55—H55 | 119.2 |
C15—C16—H16 | 119.5 | C51—C56—C55 | 120.7 (4) |
C11—C16—H16 | 119.5 | C51—C56—H56 | 119.6 |
C14—C17—H17A | 109.5 | C55—C56—H56 | 119.6 |
C14—C17—H17B | 109.5 | C54—C57—H57A | 109.5 |
H17A—C17—H17B | 109.5 | C54—C57—H57B | 109.5 |
C14—C17—H17C | 109.5 | H57A—C57—H57B | 109.5 |
H17A—C17—H17C | 109.5 | C54—C57—H57C | 109.5 |
H17B—C17—H17C | 109.5 | H57A—C57—H57C | 109.5 |
C26—C21—C22 | 117.9 (4) | H57B—C57—H57C | 109.5 |
C26—C21—P1 | 118.4 (3) | C66—C61—C62 | 117.0 (4) |
C22—C21—P1 | 123.7 (3) | C66—C61—P2 | 118.8 (4) |
C23—C22—C21 | 120.3 (4) | C62—C61—P2 | 124.2 (3) |
C23—C22—H22 | 119.8 | C61—C62—C63 | 120.7 (5) |
C21—C22—H22 | 119.8 | C61—C62—H62 | 119.7 |
C24—C23—C22 | 121.5 (4) | C63—C62—H62 | 119.7 |
C24—C23—H23 | 119.3 | C64—C63—C62 | 121.1 (5) |
C22—C23—H23 | 119.3 | C64—C63—H63 | 119.4 |
C25—C24—C23 | 117.7 (4) | C62—C63—H63 | 119.4 |
C25—C24—C27 | 121.9 (5) | C65—C64—C63 | 118.4 (5) |
C23—C24—C27 | 120.3 (5) | C65—C64—C67 | 121.6 (6) |
C24—C25—C26 | 122.2 (4) | C63—C64—C67 | 120.0 (7) |
C24—C25—H25 | 118.9 | C64—C65—C66 | 120.8 (5) |
C26—C25—H25 | 118.9 | C64—C65—H65 | 119.6 |
C25—C26—C21 | 120.3 (4) | C66—C65—H65 | 119.6 |
C25—C26—H26 | 119.9 | C65—C66—C61 | 122.1 (5) |
C21—C26—H26 | 119.9 | C65—C66—H66 | 119 |
C24—C27—H27A | 109.5 | C61—C66—H66 | 119 |
C24—C27—H27B | 109.5 | C64—C67—H67A | 109.5 |
H27A—C27—H27B | 109.5 | C64—C67—H67B | 109.5 |
C24—C27—H27C | 109.5 | H67A—C67—H67B | 109.5 |
H27A—C27—H27C | 109.5 | C64—C67—H67C | 109.5 |
H27B—C27—H27C | 109.5 | H67A—C67—H67C | 109.5 |
C36—C31—C32 | 117.8 (4) | H67B—C67—H67C | 109.5 |
C36—C31—P1 | 123.3 (3) | C1—O1—Ag2 | 122.4 (3) |
C32—C31—P1 | 118.8 (3) | C1—O2—Ag1 | 105.2 (3) |
C33—C32—C31 | 120.4 (4) | C3—O3—Ag1 | 125.2 (3) |
C33—C32—H32 | 119.8 | C3—O4—Ag2 | 105.6 (3) |
C31—C32—H32 | 119.8 | C21—P1—C31 | 105.33 (18) |
C34—C33—C32 | 122.1 (4) | C21—P1—C11 | 106.50 (18) |
C34—C33—H33 | 119 | C31—P1—C11 | 105.39 (17) |
C32—C33—H33 | 119 | C21—P1—Ag1 | 113.69 (13) |
C33—C34—C35 | 117.3 (4) | C31—P1—Ag1 | 114.62 (13) |
C33—C34—C37 | 122.2 (4) | C11—P1—Ag1 | 110.65 (13) |
C35—C34—C37 | 120.5 (4) | C51—P2—C61 | 106.98 (18) |
C34—C35—C36 | 121.7 (4) | C51—P2—C41 | 104.65 (18) |
C34—C35—H35 | 119.2 | C61—P2—C41 | 103.81 (19) |
C36—C35—H35 | 119.2 | C51—P2—Ag2 | 114.80 (14) |
C31—C36—C35 | 120.7 (4) | C61—P2—Ag2 | 109.30 (15) |
C31—C36—H36 | 119.7 | C41—P2—Ag2 | 116.37 (12) |
C35—C36—H36 | 119.7 | O2—Ag1—P1 | 152.43 (9) |
C34—C37—H37A | 109.5 | O2—Ag1—O3 | 91.17 (12) |
C34—C37—H37B | 109.5 | P1—Ag1—O3 | 115.59 (9) |
H37A—C37—H37B | 109.5 | O2—Ag1—Ag2 | 85.01 (9) |
C34—C37—H37C | 109.5 | P1—Ag1—Ag2 | 114.21 (4) |
H37A—C37—H37C | 109.5 | O3—Ag1—Ag2 | 57.55 (12) |
H37B—C37—H37C | 109.5 | O4—Ag2—P2 | 142.53 (9) |
C46—C41—C42 | 118.1 (4) | O4—Ag2—O1 | 94.15 (12) |
C46—C41—P2 | 122.9 (3) | P2—Ag2—O1 | 112.64 (9) |
C42—C41—P2 | 119.0 (3) | O4—Ag2—Ag1 | 86.23 (9) |
C43—C42—C41 | 120.0 (4) | P2—Ag2—Ag1 | 129.85 (4) |
C43—C42—H42 | 120 | O1—Ag2—Ag1 | 57.81 (9) |
C16—C11—C12—C13 | 1.2 (6) | C26—C21—P1—Ag1 | 17.7 (4) |
P1—C11—C12—C13 | 174.6 (3) | C22—C21—P1—Ag1 | −164.0 (3) |
C11—C12—C13—C14 | 0.8 (7) | C36—C31—P1—C21 | −40.5 (4) |
C12—C13—C14—C15 | −1.9 (7) | C32—C31—P1—C21 | 138.2 (3) |
C12—C13—C14—C17 | −179.7 (5) | C36—C31—P1—C11 | 71.9 (4) |
C13—C14—C15—C16 | 0.9 (7) | C32—C31—P1—C11 | −109.4 (4) |
C17—C14—C15—C16 | 178.7 (5) | C36—C31—P1—Ag1 | −166.2 (3) |
C14—C15—C16—C11 | 1.2 (7) | C32—C31—P1—Ag1 | 12.5 (4) |
C12—C11—C16—C15 | −2.2 (6) | C12—C11—P1—C21 | 163.6 (3) |
P1—C11—C16—C15 | −175.2 (3) | C16—C11—P1—C21 | −23.5 (4) |
C26—C21—C22—C23 | −0.1 (6) | C12—C11—P1—C31 | 52.1 (4) |
P1—C21—C22—C23 | −178.4 (3) | C16—C11—P1—C31 | −135.0 (3) |
C21—C22—C23—C24 | 0.4 (7) | C12—C11—P1—Ag1 | −72.4 (3) |
C22—C23—C24—C25 | 0.3 (7) | C16—C11—P1—Ag1 | 100.5 (3) |
C22—C23—C24—C27 | 179.2 (4) | C56—C51—P2—C61 | −15.9 (4) |
C23—C24—C25—C26 | −1.4 (7) | C52—C51—P2—C61 | 162.6 (3) |
C27—C24—C25—C26 | 179.7 (5) | C56—C51—P2—C41 | 93.8 (4) |
C24—C25—C26—C21 | 1.8 (7) | C52—C51—P2—C41 | −87.7 (4) |
C22—C21—C26—C25 | −1.0 (6) | C56—C51—P2—Ag2 | −137.4 (3) |
P1—C21—C26—C25 | 177.4 (4) | C52—C51—P2—Ag2 | 41.1 (4) |
C36—C31—C32—C33 | −0.3 (6) | C66—C61—P2—C51 | −103.3 (3) |
P1—C31—C32—C33 | −179.1 (4) | C62—C61—P2—C51 | 79.3 (4) |
C31—C32—C33—C34 | 1.5 (7) | C66—C61—P2—C41 | 146.4 (3) |
C32—C33—C34—C35 | −1.1 (7) | C62—C61—P2—C41 | −31.0 (4) |
C32—C33—C34—C37 | 177.6 (5) | C66—C61—P2—Ag2 | 21.6 (4) |
C33—C34—C35—C36 | −0.4 (7) | C62—C61—P2—Ag2 | −155.8 (3) |
C37—C34—C35—C36 | −179.2 (5) | C46—C41—P2—C51 | −20.5 (4) |
C32—C31—C36—C35 | −1.2 (7) | C42—C41—P2—C51 | 158.6 (3) |
P1—C31—C36—C35 | 177.5 (4) | C46—C41—P2—C61 | 91.5 (4) |
C34—C35—C36—C31 | 1.6 (8) | C42—C41—P2—C61 | −89.4 (3) |
C46—C41—C42—C43 | −2.2 (6) | C46—C41—P2—Ag2 | −148.4 (3) |
P2—C41—C42—C43 | 178.6 (3) | C42—C41—P2—Ag2 | 30.7 (4) |
C41—C42—C43—C44 | 2.1 (7) | C1—O2—Ag1—P1 | −101.4 (3) |
C42—C43—C44—C45 | −1.0 (7) | C1—O2—Ag1—O3 | 92.1 (3) |
C42—C43—C44—C47 | 178.1 (4) | C1—O2—Ag1—Ag2 | 34.9 (3) |
C43—C44—C45—C46 | 0.2 (6) | C21—P1—Ag1—O2 | 67.9 (3) |
C47—C44—C45—C46 | −178.9 (4) | C31—P1—Ag1—O2 | −170.9 (2) |
C42—C41—C46—C45 | 1.4 (6) | C11—P1—Ag1—O2 | −51.9 (3) |
P2—C41—C46—C45 | −179.5 (3) | C21—P1—Ag1—O3 | −127.12 (19) |
C44—C45—C46—C41 | −0.4 (7) | C31—P1—Ag1—O3 | −5.9 (2) |
C56—C51—C52—C53 | −1.4 (7) | C11—P1—Ag1—O3 | 113.10 (19) |
P2—C51—C52—C53 | −180.0 (4) | C21—P1—Ag1—Ag2 | −63.03 (14) |
C51—C52—C53—C54 | 1.6 (8) | C31—P1—Ag1—Ag2 | 58.21 (16) |
C52—C53—C54—C55 | −1.7 (8) | C11—P1—Ag1—Ag2 | 177.19 (13) |
C52—C53—C54—C57 | 179.0 (5) | C3—O3—Ag1—O2 | −14.7 (5) |
C53—C54—C55—C56 | 1.6 (8) | C3—O3—Ag1—P1 | 172.2 (4) |
C57—C54—C55—C56 | −179.0 (5) | C3—O3—Ag1—Ag2 | 68.7 (5) |
C52—C51—C56—C55 | 1.3 (7) | C3—O4—Ag2—P2 | −134.7 (2) |
P2—C51—C56—C55 | 179.8 (4) | C3—O4—Ag2—O1 | 88.5 (3) |
C54—C55—C56—C51 | −1.5 (7) | C3—O4—Ag2—Ag1 | 31.2 (3) |
C66—C61—C62—C63 | 0.1 (6) | C51—P2—Ag2—O4 | 91.7 (2) |
P2—C61—C62—C63 | 177.6 (3) | C61—P2—Ag2—O4 | −28.5 (2) |
C61—C62—C63—C64 | −0.6 (7) | C41—P2—Ag2—O4 | −145.6 (2) |
C62—C63—C64—C65 | 0.5 (7) | C51—P2—Ag2—O1 | −136.01 (17) |
C62—C63—C64—C67 | −177.0 (5) | C61—P2—Ag2—O1 | 103.80 (17) |
C63—C64—C65—C66 | 0.0 (8) | C41—P2—Ag2—O1 | −13.33 (18) |
C67—C64—C65—C66 | 177.4 (5) | C51—P2—Ag2—Ag1 | −69.83 (14) |
C64—C65—C66—C61 | −0.4 (8) | C61—P2—Ag2—Ag1 | 169.98 (13) |
C62—C61—C66—C65 | 0.3 (6) | C41—P2—Ag2—Ag1 | 52.85 (15) |
P2—C61—C66—C65 | −177.2 (4) | C1—O1—Ag2—O4 | −14.6 (4) |
O2—C1—O1—Ag2 | −66.6 (5) | C1—O1—Ag2—P2 | −167.8 (3) |
C2—C1—O1—Ag2 | 115.1 (4) | C1—O1—Ag2—Ag1 | 68.3 (4) |
O1—C1—O2—Ag1 | 1.0 (5) | O2—Ag1—Ag2—O4 | 59.29 (13) |
C2—C1—O2—Ag1 | 179.3 (3) | P1—Ag1—Ag2—O4 | −141.27 (10) |
O4—C3—O3—Ag1 | −68.9 (6) | O3—Ag1—Ag2—O4 | −35.29 (14) |
C4—C3—O3—Ag1 | 112.1 (5) | O2—Ag1—Ag2—P2 | −131.85 (10) |
O3—C3—O4—Ag2 | 3.8 (5) | P1—Ag1—Ag2—P2 | 27.60 (5) |
C4—C3—O4—Ag2 | −177.1 (4) | O3—Ag1—Ag2—P2 | 133.57 (11) |
C26—C21—P1—C31 | −108.6 (3) | O2—Ag1—Ag2—O1 | −38.01 (13) |
C22—C21—P1—C31 | 69.7 (4) | P1—Ag1—Ag2—O1 | 121.43 (10) |
C26—C21—P1—C11 | 139.8 (3) | O3—Ag1—Ag2—O1 | −132.59 (14) |
C22—C21—P1—C11 | −41.9 (4) |
D—H···A | D—H | H···A | D···A | D—H···A |
C22—H22···O4i | 0.93 | 2.44 | 3.291 (6) | 153 |
C32—H32···O3 | 0.93 | 2.49 | 3.388 (6) | 163 |
Symmetry code: (i) x, y+1, z. |
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