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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

cif

Crystallographic Information File (CIF) https://doi.org/10.1107/S1600536807022143/bg2030sup1.cif
Contains datablocks global, I

hkl

Structure factor file (CIF format) https://doi.org/10.1107/S1600536807022143/bg2030Isup2.hkl
Contains datablock I

CCDC reference: 275625

Key indicators

  • Single-crystal X-ray study
  • T = 140 K
  • Mean [sigma](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

Computing details top

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·0.53C4H10OZ = 2
Mr = 1130.66F(000) = 1179.6
Triclinic, P1Dx = 1.315 Mg m3
Hall symbol: -P 1Mo Kα radiation, λ = 0.71073 Å
a = 13.5727 (9) ÅCell parameters from 5484 reflections
b = 14.9626 (10) Åθ = 1.7–29.7°
c = 15.7828 (11) ŵ = 0.46 mm1
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 focus12840 reflections with I > 2σ(I)
Plane graphite monochromatorRint = 0.026
Detector resolution: 6.67 pixels mm-1θmax = 29.4°, θmin = 1.7°
rotation method scansh = 1816
Absorption correction: integration
(X-RED32; Stoe & Cie, 2005)
k = 2020
Tmin = 0.804, Tmax = 0.914l = 2121
27609 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)] = 0.055Hydrogen site location: inferred from neighbouring sites
wR(F2) = 0.137H-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 parametersΔρmax = 1.19 e Å3
17 restraintsΔρmin = 1.41 e Å3
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
xyzUiso*/UeqOcc. (<1)
Ag0.190066 (12)0.153494 (11)0.228681 (10)0.03259 (4)
C10.1232 (2)0.33276 (18)0.08066 (15)0.0443 (6)
H1A0.10190.40220.05810.053*
H1B0.08070.30740.05500.053*
C20.2441 (2)0.27421 (17)0.05780 (16)0.0438 (6)
H2A0.25960.28250.00410.053*
H2B0.28680.29850.08450.053*
N10.10188 (15)0.32365 (13)0.17378 (12)0.0382 (4)
C110.04005 (19)0.40267 (16)0.20860 (16)0.0413 (5)
H110.01310.46260.17310.050*
C120.01035 (19)0.40346 (16)0.29898 (16)0.0414 (5)
H120.04380.34600.33610.050*
C130.0651 (2)0.48556 (17)0.33164 (16)0.0435 (6)
H130.09360.54210.29240.052*
C140.10692 (19)0.49606 (16)0.42068 (16)0.0415 (5)
C150.1934 (2)0.58471 (18)0.44064 (19)0.0506 (7)
H150.22380.63540.39680.061*
C160.2341 (2)0.5978 (2)0.5249 (2)0.0582 (8)
H160.29170.65730.53720.070*
C170.1901 (2)0.52344 (19)0.59127 (19)0.0540 (7)
H170.21840.53230.64790.065*
C180.1034 (2)0.43543 (18)0.57237 (18)0.0503 (6)
H180.07270.38540.61660.060*
C190.0624 (2)0.42181 (16)0.48812 (17)0.0453 (6)
H190.00440.36240.47620.054*
N20.27298 (14)0.16942 (13)0.08851 (12)0.0373 (4)
C210.32450 (18)0.10447 (17)0.03595 (16)0.0413 (5)
H210.34560.12540.01950.050*
C220.35043 (18)0.00068 (17)0.06012 (16)0.0407 (5)
H220.33070.02050.11590.049*
C230.40245 (18)0.06694 (18)0.00440 (16)0.0433 (5)
H230.42440.04370.04990.052*
C240.42807 (18)0.17360 (17)0.02054 (16)0.0418 (5)
C250.4813 (2)0.23274 (19)0.04555 (18)0.0492 (6)
H250.50150.20440.09810.059*
C260.5043 (2)0.3338 (2)0.0337 (2)0.0569 (7)
H260.54020.37270.07800.068*
C270.4739 (3)0.3758 (2)0.0437 (2)0.0628 (8)
H270.48940.44330.05200.075*
C280.4202 (3)0.3177 (2)0.1093 (2)0.0612 (8)
H280.39860.34610.16130.073*
C290.3983 (2)0.21773 (19)0.09800 (18)0.0521 (7)
H290.36320.17960.14290.063*
P10.05191 (4)0.08621 (4)0.23475 (4)0.03475 (12)
C1000.05172 (17)0.13359 (16)0.32105 (15)0.0389 (5)
C1010.07219 (19)0.07309 (19)0.39200 (16)0.0448 (6)
H1010.03600.00430.39440.054*
C1020.1463 (2)0.1155 (2)0.45869 (19)0.0560 (7)
H1020.15890.07450.50590.067*
C1030.2014 (2)0.2164 (2)0.45677 (19)0.0570 (7)
H1030.25130.24360.50200.068*
C1040.1822 (2)0.2776 (2)0.38686 (19)0.0529 (7)
H1040.21920.34620.38520.063*
C1050.1080 (2)0.23688 (18)0.31948 (17)0.0465 (6)
H1050.09540.27840.27280.056*
C1100.02536 (17)0.11844 (16)0.13994 (14)0.0376 (5)
C1110.0316 (2)0.1137 (2)0.06008 (16)0.0476 (6)
H1110.10590.09850.05630.057*
C1120.0207 (2)0.1313 (2)0.01442 (17)0.0596 (7)
H1120.01900.12630.06760.072*
C1130.1299 (2)0.1560 (2)0.01001 (18)0.0612 (8)
H1130.16460.16670.06000.073*
C1140.1883 (2)0.1649 (3)0.0683 (2)0.0757 (10)
H1140.26340.18390.07120.091*
C1150.1362 (2)0.1456 (2)0.14379 (18)0.0606 (8)
H1150.17630.15110.19680.073*
C1200.10127 (17)0.04878 (16)0.25491 (13)0.0360 (5)
C1210.20006 (18)0.10274 (17)0.29309 (15)0.0423 (5)
H1210.23730.06930.30940.051*
C1220.2431 (2)0.20568 (18)0.30680 (17)0.0478 (6)
H1220.30890.24070.33220.057*
C1230.1888 (2)0.25652 (18)0.28294 (16)0.0468 (6)
H1230.21780.32560.29220.056*
C1240.0910 (2)0.20388 (18)0.24519 (16)0.0465 (5)
H1240.05450.23780.22850.056*
C1250.04695 (18)0.10104 (17)0.23214 (15)0.0423 (5)
H1250.01970.06640.20790.051*
P20.31868 (4)0.10423 (4)0.33928 (3)0.03233 (11)
C2000.25579 (16)0.13118 (14)0.44680 (14)0.0332 (4)
C2010.14675 (17)0.14712 (15)0.46507 (14)0.0360 (5)
H2010.10690.14640.42190.043*
C2020.09713 (18)0.16403 (16)0.54717 (15)0.0399 (5)
H2020.02450.17380.55910.048*
C2030.15573 (19)0.16642 (16)0.61159 (15)0.0405 (5)
H2030.12230.17830.66650.049*
C2040.26434 (19)0.15105 (17)0.59399 (15)0.0424 (5)
H2040.30360.15240.63730.051*
C2050.31431 (17)0.13380 (16)0.51249 (14)0.0385 (5)
H2050.38700.12390.50100.046*
C2100.41893 (17)0.15777 (15)0.32146 (13)0.0342 (4)
C2110.38447 (19)0.25713 (16)0.28678 (14)0.0395 (5)
H2110.31290.29310.27190.047*
C2120.4564 (2)0.30275 (18)0.27424 (17)0.0479 (6)
H2120.43260.36940.25200.057*
C2130.5637 (2)0.2491 (2)0.29488 (18)0.0513 (6)
H2130.61190.27960.28600.062*
C2140.59894 (19)0.1505 (2)0.32855 (18)0.0499 (6)
H2140.67090.11470.34240.060*
C2150.52729 (18)0.10481 (18)0.34179 (17)0.0447 (6)
H2150.55160.03820.36440.054*
C2200.40193 (16)0.03017 (15)0.35335 (15)0.0376 (5)
C2210.40032 (18)0.08991 (16)0.43026 (17)0.0447 (6)
H2210.35920.06130.47860.054*
C2220.4602 (2)0.19288 (18)0.4354 (2)0.0566 (7)
H2220.45850.23260.48700.068*
C2230.5215 (2)0.23555 (19)0.3645 (2)0.0627 (8)
H2230.56150.30400.36830.075*
C2240.5240 (2)0.17719 (19)0.2873 (2)0.0598 (7)
H2240.56560.20640.23940.072*
C2250.46389 (19)0.07418 (18)0.28143 (18)0.0479 (6)
H2250.46530.03500.22950.058*
N700.7384 (3)0.4857 (3)0.8263 (2)0.0980 (13)
C700.7839 (3)0.4512 (2)0.8863 (2)0.0673 (10)
C710.8433 (4)0.4077 (3)0.9642 (3)0.1058 (16)
O860.6682 (3)0.9376 (3)0.1847 (2)0.1259 (13)
C860.7365 (4)0.9882 (4)0.1720 (4)0.1223 (17)
N720.6782 (8)0.4076 (5)0.1688 (7)0.158 (7)0.362 (4)
C720.6850 (7)0.4754 (5)0.1871 (7)0.087 (4)0.362 (4)
C730.6845 (11)0.5601 (7)0.2306 (10)0.148 (7)0.362 (4)
O880.7979 (4)0.5326 (4)0.1278 (3)0.127 (2)0.638 (4)
C880.7127 (6)0.5233 (7)0.1877 (6)0.111 (3)0.638 (4)
N30.8533 (3)0.7080 (3)0.1568 (2)0.0544 (11)0.609 (3)
O310.7625 (4)0.7257 (4)0.1631 (3)0.1023 (16)0.609 (3)
O320.8974 (4)0.6270 (3)0.1212 (2)0.0945 (18)0.609 (3)
O330.9046 (4)0.7505 (5)0.1663 (6)0.157 (3)0.609 (3)
N3A0.8402 (9)0.7542 (9)0.1758 (5)0.105 (3)*0.391 (3)
O31A0.7711 (6)0.7238 (5)0.2024 (5)0.077 (2)0.391 (3)
O32A0.8273 (7)0.8342 (6)0.1764 (5)0.106 (3)0.391 (3)
O33A0.9300 (9)0.6797 (7)0.1542 (10)0.183 (6)0.391 (3)
C4010.4778 (10)0.4798 (9)0.4130 (6)0.169 (3)*0.533 (5)
C4020.4796 (11)0.5305 (11)0.3192 (6)0.169 (3)*0.533 (5)
O4000.5375 (7)0.5079 (7)0.4627 (4)0.169 (3)*0.533 (5)
C4030.5930 (11)0.4512 (10)0.5412 (7)0.169 (3)*0.533 (9)
C4040.5374 (13)0.4873 (12)0.6264 (6)0.169 (3)*0.533 (9)
Atomic displacement parameters (Å2) top
U11U22U33U12U13U23
Ag0.03019 (6)0.03412 (6)0.03248 (7)0.01010 (5)0.00884 (5)0.00482 (5)
C10.0454 (11)0.0401 (10)0.0396 (11)0.0098 (9)0.0112 (10)0.0009 (9)
C20.0464 (11)0.0409 (10)0.0414 (11)0.0170 (8)0.0007 (10)0.0021 (9)
N10.0345 (8)0.0347 (8)0.0400 (9)0.0074 (6)0.0075 (8)0.0052 (7)
C110.0386 (10)0.0322 (9)0.0461 (11)0.0076 (8)0.0094 (9)0.0006 (8)
C120.0402 (10)0.0323 (9)0.0460 (11)0.0079 (8)0.0086 (10)0.0047 (8)
C130.0426 (11)0.0340 (9)0.0461 (12)0.0072 (8)0.0072 (10)0.0047 (9)
C140.0410 (10)0.0329 (9)0.0480 (12)0.0111 (8)0.0032 (10)0.0093 (8)
C150.0487 (13)0.0364 (10)0.0571 (14)0.0066 (10)0.0052 (12)0.0092 (10)
C160.0552 (15)0.0452 (12)0.0626 (16)0.0074 (11)0.0000 (14)0.0161 (11)
C170.0575 (14)0.0514 (12)0.0546 (14)0.0232 (10)0.0059 (13)0.0159 (10)
C180.0588 (13)0.0433 (10)0.0477 (13)0.0209 (10)0.0016 (12)0.0047 (9)
C190.0470 (12)0.0325 (9)0.0516 (13)0.0115 (8)0.0027 (11)0.0064 (9)
N20.0301 (8)0.0385 (8)0.0404 (9)0.0099 (6)0.0014 (7)0.0094 (7)
C210.0331 (9)0.0492 (10)0.0424 (11)0.0171 (8)0.0015 (9)0.0083 (9)
C220.0323 (9)0.0469 (10)0.0428 (11)0.0134 (8)0.0016 (9)0.0141 (8)
C230.0332 (9)0.0527 (11)0.0456 (11)0.0163 (8)0.0014 (9)0.0172 (9)
C240.0294 (9)0.0494 (10)0.0469 (11)0.0119 (8)0.0031 (9)0.0192 (9)
C250.0352 (11)0.0544 (12)0.0550 (13)0.0113 (9)0.0025 (11)0.0238 (10)
C260.0497 (14)0.0545 (12)0.0630 (15)0.0119 (11)0.0026 (13)0.0300 (11)
C270.0693 (17)0.0477 (12)0.0699 (17)0.0174 (12)0.0046 (15)0.0224 (12)
C280.0772 (18)0.0534 (13)0.0528 (15)0.0263 (12)0.0006 (14)0.0120 (11)
C290.0544 (13)0.0492 (11)0.0517 (13)0.0151 (10)0.0049 (12)0.0201 (10)
P10.0327 (2)0.0430 (2)0.0318 (2)0.01653 (18)0.0083 (2)0.00566 (19)
C1000.0358 (8)0.0491 (9)0.0383 (10)0.0217 (7)0.0078 (8)0.0066 (8)
C1010.0419 (10)0.0534 (11)0.0410 (11)0.0212 (9)0.0027 (10)0.0108 (9)
C1020.0553 (13)0.0697 (14)0.0458 (13)0.0300 (11)0.0061 (12)0.0103 (11)
C1030.0495 (13)0.0723 (15)0.0509 (14)0.0243 (11)0.0066 (12)0.0223 (12)
C1040.0451 (13)0.0532 (12)0.0568 (14)0.0142 (10)0.0031 (12)0.0197 (11)
C1050.0463 (11)0.0489 (11)0.0447 (12)0.0193 (9)0.0048 (10)0.0063 (9)
C1100.0334 (8)0.0450 (9)0.0368 (10)0.0158 (7)0.0088 (8)0.0077 (8)
C1110.0428 (10)0.0653 (13)0.0390 (11)0.0240 (9)0.0104 (9)0.0062 (10)
C1120.0611 (13)0.0855 (17)0.0385 (12)0.0333 (12)0.0163 (11)0.0050 (11)
C1130.0555 (12)0.0811 (17)0.0468 (12)0.0219 (12)0.0232 (11)0.0089 (12)
C1140.0381 (11)0.124 (2)0.0630 (16)0.0235 (14)0.0176 (12)0.0234 (16)
C1150.0378 (11)0.1002 (19)0.0457 (13)0.0251 (12)0.0074 (11)0.0191 (13)
C1200.0376 (9)0.0434 (9)0.0299 (9)0.0182 (7)0.0043 (8)0.0064 (7)
C1210.0412 (9)0.0480 (10)0.0434 (11)0.0217 (8)0.0099 (9)0.0058 (8)
C1220.0463 (11)0.0467 (11)0.0488 (13)0.0179 (9)0.0103 (10)0.0003 (10)
C1230.0522 (12)0.0436 (10)0.0432 (12)0.0193 (9)0.0001 (11)0.0057 (9)
C1240.0535 (11)0.0522 (10)0.0444 (12)0.0302 (9)0.0017 (10)0.0124 (9)
C1250.0420 (9)0.0498 (10)0.0412 (11)0.0224 (8)0.0084 (9)0.0079 (8)
P20.0290 (2)0.0323 (2)0.0351 (2)0.00926 (17)0.01003 (19)0.00548 (18)
C2000.0330 (8)0.0284 (7)0.0369 (9)0.0089 (6)0.0117 (8)0.0032 (7)
C2010.0336 (8)0.0332 (8)0.0408 (10)0.0112 (7)0.0108 (8)0.0043 (7)
C2020.0359 (9)0.0392 (9)0.0430 (11)0.0142 (8)0.0039 (9)0.0030 (8)
C2030.0461 (11)0.0379 (9)0.0345 (10)0.0144 (8)0.0038 (9)0.0039 (8)
C2040.0458 (10)0.0458 (10)0.0366 (10)0.0164 (8)0.0141 (9)0.0053 (8)
C2050.0357 (9)0.0421 (9)0.0387 (10)0.0143 (7)0.0113 (8)0.0051 (8)
C2100.0343 (8)0.0375 (8)0.0315 (9)0.0132 (7)0.0060 (8)0.0078 (7)
C2110.0412 (10)0.0383 (9)0.0367 (10)0.0132 (8)0.0047 (9)0.0056 (8)
C2120.0586 (12)0.0438 (10)0.0441 (12)0.0253 (9)0.0006 (11)0.0040 (9)
C2130.0528 (11)0.0633 (12)0.0504 (13)0.0356 (9)0.0008 (11)0.0113 (10)
C2140.0377 (10)0.0614 (12)0.0549 (14)0.0232 (9)0.0078 (10)0.0070 (11)
C2150.0355 (9)0.0450 (10)0.0545 (13)0.0153 (8)0.0135 (10)0.0034 (9)
C2200.0299 (8)0.0333 (8)0.0497 (11)0.0080 (7)0.0151 (8)0.0089 (8)
C2210.0430 (10)0.0356 (9)0.0560 (12)0.0128 (8)0.0200 (10)0.0025 (9)
C2220.0553 (12)0.0351 (10)0.0795 (17)0.0132 (9)0.0318 (12)0.0000 (10)
C2230.0466 (11)0.0373 (10)0.104 (2)0.0071 (9)0.0302 (13)0.0153 (12)
C2240.0376 (11)0.0498 (11)0.0911 (18)0.0062 (10)0.0119 (13)0.0337 (12)
C2250.0365 (10)0.0464 (10)0.0601 (13)0.0099 (9)0.0123 (10)0.0177 (10)
N700.091 (2)0.085 (2)0.091 (2)0.0101 (18)0.015 (2)0.0054 (18)
C700.0702 (19)0.0483 (13)0.073 (2)0.0172 (13)0.0048 (17)0.0081 (13)
C710.140 (3)0.084 (2)0.092 (3)0.044 (2)0.039 (3)0.013 (2)
O860.117 (2)0.157 (3)0.112 (3)0.0733 (19)0.001 (2)0.002 (2)
C860.130 (3)0.159 (3)0.113 (4)0.099 (2)0.023 (3)0.015 (3)
N720.201 (15)0.125 (10)0.110 (10)0.031 (10)0.017 (10)0.011 (8)
C720.098 (7)0.053 (5)0.096 (7)0.016 (5)0.032 (6)0.007 (5)
C730.119 (11)0.123 (10)0.213 (18)0.044 (9)0.001 (13)0.073 (11)
O880.116 (4)0.116 (4)0.115 (4)0.002 (3)0.052 (3)0.015 (3)
C880.100 (4)0.137 (5)0.122 (6)0.071 (4)0.033 (4)0.002 (5)
N30.0407 (17)0.070 (2)0.0393 (17)0.0165 (16)0.0084 (15)0.0168 (16)
O310.073 (2)0.160 (3)0.098 (3)0.060 (2)0.010 (2)0.058 (3)
O320.120 (4)0.060 (2)0.053 (2)0.012 (2)0.015 (2)0.0019 (17)
O330.084 (2)0.176 (4)0.252 (8)0.083 (3)0.007 (4)0.065 (5)
O31A0.067 (4)0.067 (3)0.094 (5)0.032 (3)0.016 (4)0.011 (3)
O32A0.157 (6)0.112 (5)0.069 (4)0.076 (4)0.005 (4)0.016 (3)
O33A0.134 (7)0.073 (4)0.333 (17)0.050 (5)0.072 (9)0.065 (7)
Geometric parameters (Å, º) top
Ag—N12.3740 (17)C112—H1120.9300
Ag—N22.366 (2)C113—C1141.369 (4)
Ag—P12.4621 (6)C113—H1130.9300
Ag—P22.4393 (6)C114—C1151.395 (4)
N1—C11.454 (3)C114—H1140.9300
N1—C111.284 (3)C115—H1150.9300
N2—C21.459 (3)C120—C1251.392 (3)
N2—C211.285 (3)C120—C1211.398 (3)
C1—C21.521 (3)C121—C1221.386 (3)
C1—H1A0.9700C121—H1210.9300
C1—H1B0.9700C122—C1231.382 (4)
C2—H2A0.9700C122—H1220.9300
C2—H2B0.9700C123—C1241.383 (3)
C11—C121.429 (3)C123—H1230.9300
C11—H110.9300C124—C1251.384 (3)
C12—C131.349 (3)C124—H1240.9300
C12—H120.9300C125—H1250.9300
C13—C141.450 (4)P2—C2001.819 (2)
C13—H130.9300P2—C2101.822 (2)
C14—C191.396 (3)P2—C2201.834 (2)
C14—C151.396 (3)C200—C2011.392 (3)
C15—C161.381 (4)C200—C2051.404 (3)
C15—H150.9300C201—C2021.386 (3)
C16—C171.384 (4)C201—H2010.9300
C16—H160.9300C202—C2031.387 (3)
C17—C181.388 (3)C202—H2020.9300
C17—H170.9300C203—C2041.387 (3)
C18—C191.382 (4)C203—H2030.9300
C18—H180.9300C204—C2051.380 (3)
C19—H190.9300C204—H2040.9300
C21—C221.435 (3)C205—H2050.9300
C21—H210.9300C210—C2111.393 (3)
C22—C231.346 (3)C210—C2151.396 (3)
C22—H220.9300C211—C2121.388 (4)
C23—C241.467 (3)C211—H2110.9300
C23—H230.9300C212—C2131.386 (4)
C24—C291.386 (4)C212—H2120.9300
C24—C251.396 (3)C213—C2141.378 (4)
C25—C261.392 (4)C213—H2130.9300
C25—H250.9300C214—C2151.386 (4)
C26—C271.375 (5)C214—H2140.9300
C26—H260.9300C215—H2150.9300
C27—C281.381 (4)C220—C2211.388 (3)
C27—H270.9300C220—C2251.394 (3)
C28—C291.381 (4)C221—C2221.398 (3)
C28—H280.9300C221—H2210.9300
C29—H290.9300C222—C2231.372 (4)
P1—C1001.813 (2)C222—H2220.9300
P1—C1201.824 (2)C223—C2241.383 (5)
P1—C1101.825 (2)C223—H2230.9300
C100—C1011.396 (3)C224—C2251.398 (3)
C100—C1051.401 (3)C224—H2240.9300
C101—C1021.382 (4)C225—H2250.9300
C101—H1010.9300N70—C701.129 (5)
C102—C1031.368 (4)C70—C711.465 (6)
C102—H1020.9300O86—C861.404 (7)
C103—C1041.385 (4)N72—C721.142 (6)
C103—H1030.9300C72—C731.534 (7)
C104—C1051.384 (4)O88—C881.431 (9)
C104—H1040.9300N3—O311.139 (6)
C105—H1050.9300N3—O331.160 (8)
C110—C1151.376 (3)N3—O321.289 (6)
C110—C1111.382 (3)N3A—O32A1.135 (14)
C111—C1121.386 (3)N3A—O31A1.208 (14)
C111—H1110.9300N3A—O33A1.305 (15)
C112—C1131.362 (4)
C1—N1—C11117.97 (19)C115—C110—P1123.73 (19)
C1—N1—Ag108.41 (13)C111—C110—P1117.67 (16)
C11—N1—Ag133.56 (16)C110—C111—C112120.8 (2)
C2—N2—C21118.9 (2)C110—C111—H111119.6
C2—N2—Ag109.84 (14)C112—C111—H111119.6
C21—N2—Ag130.65 (17)C113—C112—C111120.3 (3)
N1—Ag—N274.05 (6)C113—C112—H112119.9
N1—Ag—P1105.17 (5)C111—C112—H112119.9
N1—Ag—P2119.74 (5)C112—C113—C114119.7 (3)
N2—Ag—P1113.12 (5)C112—C113—H113120.2
N2—Ag—P2112.10 (5)C114—C113—H113120.2
P1—Ag—P2122.70 (2)C113—C114—C115120.4 (3)
N1—C1—C2109.38 (19)C113—C114—H114119.8
N1—C1—H1A109.8C115—C114—H114119.8
C2—C1—H1A109.8C110—C115—C114120.1 (3)
N1—C1—H1B109.8C110—C115—H115119.9
C2—C1—H1B109.8C114—C115—H115119.9
H1A—C1—H1B108.2C125—C120—C121118.3 (2)
N2—C2—H2A109.9C125—C120—P1123.32 (16)
N2—C2—C1108.8 (2)C121—C120—P1118.38 (18)
C1—C2—H2A109.9C122—C121—C120120.6 (2)
N2—C2—H2B109.9C122—C121—H121119.7
C1—C2—H2B109.9C120—C121—H121119.7
H2A—C2—H2B108.3C123—C122—C121120.4 (2)
N1—C11—C12123.5 (2)C123—C122—H122119.8
N1—C11—H11118.2C121—C122—H122119.8
C12—C11—H11118.2C122—C123—C124119.5 (2)
C13—C12—C11121.5 (2)C122—C123—H123120.3
C13—C12—H12119.2C124—C123—H123120.3
C11—C12—H12119.2C123—C124—C125120.4 (2)
C12—C13—C14127.7 (2)C123—C124—H124119.8
C12—C13—H13116.2C125—C124—H124119.8
C14—C13—H13116.2C124—C125—C120120.8 (2)
C19—C14—C15118.3 (2)C124—C125—H125119.6
C19—C14—C13122.6 (2)C120—C125—H125119.6
C15—C14—C13119.1 (2)C200—P2—C210104.38 (10)
C16—C15—C14120.6 (2)C200—P2—C220103.62 (10)
C16—C15—H15119.7C210—P2—C220103.75 (10)
C14—C15—H15119.7C200—P2—Ag114.66 (7)
C15—C16—C17120.7 (2)C210—P2—Ag116.46 (7)
C15—C16—H16119.6C220—P2—Ag112.57 (7)
C17—C16—H16119.6C201—C200—C205119.0 (2)
C16—C17—C18119.2 (3)C201—C200—P2118.80 (16)
C16—C17—H17120.4C205—C200—P2122.21 (16)
C18—C17—H17120.4C202—C201—C200120.5 (2)
C19—C18—C17120.3 (2)C202—C201—H201119.8
C19—C18—H18119.8C200—C201—H201119.8
C17—C18—H18119.8C201—C202—C203120.0 (2)
C18—C19—C14120.9 (2)C201—C202—H202120.0
C18—C19—H19119.6C203—C202—H202120.0
C14—C19—H19119.6C202—C203—C204119.9 (2)
N2—C21—C22122.1 (2)C202—C203—H203120.0
N2—C21—H21119.0C204—C203—H203120.0
C22—C21—H21119.0C205—C204—C203120.3 (2)
C23—C22—C21122.0 (2)C205—C204—H204119.9
C23—C22—H22119.0C203—C204—H204119.9
C21—C22—H22119.0C204—C205—C200120.3 (2)
C22—C23—C24126.7 (2)C204—C205—H205119.9
C22—C23—H23116.7C200—C205—H205119.9
C24—C23—H23116.7C211—C210—C215118.8 (2)
C29—C24—C25118.4 (2)C211—C210—P2117.83 (16)
C29—C24—C23122.7 (2)C215—C210—P2123.40 (17)
C25—C24—C23118.9 (2)C212—C211—C210120.4 (2)
C26—C25—C24120.7 (3)C212—C211—H211119.8
C26—C25—H25119.6C210—C211—H211119.8
C24—C25—H25119.6C213—C212—C211120.1 (2)
C27—C26—C25119.8 (3)C213—C212—H212120.0
C27—C26—H26120.1C211—C212—H212120.0
C25—C26—H26120.1C214—C213—C212120.0 (3)
C26—C27—C28120.0 (3)C214—C213—H213120.0
C26—C27—H27120.0C212—C213—H213120.0
C28—C27—H27120.0C213—C214—C215120.1 (2)
C29—C28—C27120.3 (3)C213—C214—H214119.9
C29—C28—H28119.8C215—C214—H214119.9
C27—C28—H28119.8C214—C215—C210120.6 (2)
C28—C29—C24120.8 (3)C214—C215—H215119.7
C28—C29—H29119.6C210—C215—H215119.7
C24—C29—H29119.6C221—C220—C225119.2 (2)
C100—P1—C120105.48 (10)C221—C220—P2122.98 (17)
C100—P1—C110103.98 (10)C225—C220—P2117.72 (18)
C120—P1—C110103.49 (10)C220—C221—C222120.3 (2)
C100—P1—Ag109.82 (8)C220—C221—H221119.8
C120—P1—Ag116.07 (7)C222—C221—H221119.8
C110—P1—Ag116.76 (8)C223—C222—C221120.2 (3)
C101—C100—C105118.5 (2)C223—C222—H222119.9
C101—C100—P1123.45 (17)C221—C222—H222119.9
C105—C100—P1117.90 (18)C222—C223—C224120.3 (2)
C102—C101—C100120.0 (2)C222—C223—H223119.8
C102—C101—H101120.0C224—C223—H223119.8
C100—C101—H101120.0C223—C224—C225119.9 (3)
C103—C102—C101121.4 (3)C223—C224—H224120.0
C103—C102—H102119.3C225—C224—H224120.0
C101—C102—H102119.3C220—C225—C224120.1 (3)
C102—C103—C104119.4 (3)C220—C225—H225120.0
C102—C103—H103120.3C224—C225—H225120.0
C104—C103—H103120.3N70—C70—C71179.2 (5)
C105—C104—C103120.2 (3)N72—C72—C73167.8 (13)
C105—C104—H104119.9O31—N3—O33134.6 (6)
C103—C104—H104119.9O31—N3—O32104.0 (5)
C104—C105—C100120.5 (2)O33—N3—O32120.8 (5)
C104—C105—H105119.7O32A—N3A—O31A123.2 (11)
C100—C105—H105119.7O32A—N3A—O33A127.8 (13)
C115—C110—C111118.6 (2)O31A—N3A—O33A108.8 (11)
N1—C1—C2—N262.3 (3)C115—C110—C111—C1123.0 (4)
C2—C1—N1—C11135.3 (2)P1—C110—C111—C112176.1 (2)
C2—C1—N1—Ag47.1 (2)C110—C111—C112—C1131.5 (5)
N2—Ag—N1—C11165.0 (3)C111—C112—C113—C1141.1 (5)
P2—Ag—N1—C1158.3 (2)C112—C113—C114—C1152.2 (6)
P1—Ag—N1—C1184.8 (2)C111—C110—C115—C1141.9 (5)
N2—Ag—N1—C117.88 (16)P1—C110—C115—C114177.2 (3)
P2—Ag—N1—C1124.58 (15)C113—C114—C115—C1100.7 (6)
P1—Ag—N1—C192.34 (16)C100—P1—C120—C12580.8 (2)
C1—N1—C11—C12178.2 (2)C110—P1—C120—C12528.1 (2)
Ag—N1—C11—C121.3 (4)Ag—P1—C120—C125157.38 (17)
N1—C11—C12—C13171.8 (3)C100—P1—C120—C121100.93 (19)
C11—C12—C13—C14176.9 (3)C110—P1—C120—C121150.15 (18)
C12—C13—C14—C198.2 (5)Ag—P1—C120—C12120.9 (2)
C12—C13—C14—C15173.5 (3)C125—C120—C121—C1220.8 (3)
C19—C14—C15—C160.6 (4)P1—C120—C121—C122177.58 (19)
C13—C14—C15—C16179.0 (3)C120—C121—C122—C1230.0 (4)
C14—C15—C16—C170.0 (5)C121—C122—C123—C1240.0 (4)
C15—C16—C17—C180.7 (5)C122—C123—C124—C1250.7 (4)
C16—C17—C18—C190.9 (5)C123—C124—C125—C1201.4 (4)
C17—C18—C19—C140.3 (4)C121—C120—C125—C1241.5 (3)
C15—C14—C19—C180.5 (4)P1—C120—C125—C124176.80 (19)
C13—C14—C19—C18178.8 (3)N2—Ag—P2—C200159.81 (9)
C1—C2—N2—C21128.8 (2)N1—Ag—P2—C20076.10 (10)
C1—C2—N2—Ag43.3 (2)P1—Ag—P2—C20060.36 (8)
N1—Ag—N2—C21156.7 (2)N2—Ag—P2—C21037.56 (9)
P2—Ag—N2—C2187.2 (2)N1—Ag—P2—C21046.15 (9)
P1—Ag—N2—C2156.7 (2)P1—Ag—P2—C210177.39 (7)
N1—Ag—N2—C214.09 (15)N2—Ag—P2—C22082.07 (10)
P2—Ag—N2—C2102.06 (15)N1—Ag—P2—C220165.78 (10)
P1—Ag—N2—C2114.11 (15)P1—Ag—P2—C22057.76 (9)
C2—N2—C21—C22176.5 (2)C210—P2—C200—C201148.19 (16)
Ag—N2—C21—C226.5 (3)C220—P2—C200—C201103.47 (17)
N2—C21—C22—C23178.6 (2)Ag—P2—C200—C20119.60 (18)
C21—C22—C23—C24176.7 (2)C210—P2—C200—C20533.55 (19)
C22—C23—C24—C291.2 (4)C220—P2—C200—C20574.79 (19)
C22—C23—C24—C25179.0 (2)Ag—P2—C200—C205162.14 (15)
C29—C24—C25—C260.3 (4)C205—C200—C201—C2020.8 (3)
C23—C24—C25—C26178.2 (2)P2—C200—C201—C202177.49 (16)
C24—C25—C26—C270.4 (4)C200—C201—C202—C2030.8 (3)
C25—C26—C27—C280.3 (5)C201—C202—C203—C2040.5 (3)
C26—C27—C28—C291.0 (5)C202—C203—C204—C2050.3 (3)
C27—C28—C29—C241.1 (5)C203—C204—C205—C2000.3 (3)
C25—C24—C29—C280.4 (4)C201—C200—C205—C2040.6 (3)
C23—C24—C29—C28177.3 (3)P2—C200—C205—C204177.68 (17)
N2—Ag—P1—C100150.63 (8)C200—P2—C210—C21187.97 (18)
N1—Ag—P1—C10071.80 (9)C220—P2—C210—C211163.79 (17)
P2—Ag—P1—C10069.90 (8)Ag—P2—C210—C21139.52 (19)
N2—Ag—P1—C12089.88 (9)C200—P2—C210—C21591.2 (2)
N1—Ag—P1—C120168.71 (9)C220—P2—C210—C21517.1 (2)
P2—Ag—P1—C12049.59 (8)Ag—P2—C210—C215141.35 (18)
N2—Ag—P1—C11032.64 (9)C215—C210—C211—C2121.1 (3)
N1—Ag—P1—C11046.19 (9)P2—C210—C211—C212178.03 (18)
P2—Ag—P1—C110172.11 (8)C210—C211—C212—C2131.1 (4)
C120—P1—C100—C1018.2 (2)C211—C212—C213—C2140.5 (4)
C110—P1—C100—C101116.7 (2)C212—C213—C214—C2150.1 (4)
Ag—P1—C100—C101117.6 (2)C213—C214—C215—C2100.1 (4)
C120—P1—C100—C105177.03 (19)C211—C210—C215—C2140.7 (4)
C110—P1—C100—C10568.5 (2)P2—C210—C215—C214178.5 (2)
Ag—P1—C100—C10557.2 (2)C200—P2—C220—C2215.8 (2)
C105—C100—C101—C1020.2 (4)C210—P2—C220—C221114.6 (2)
P1—C100—C101—C102174.6 (2)Ag—P2—C220—C221118.63 (19)
C100—C101—C102—C1030.5 (4)C200—P2—C220—C225178.39 (19)
C101—C102—C103—C1040.4 (5)C210—P2—C220—C22569.6 (2)
C102—C103—C104—C1050.1 (5)Ag—P2—C220—C22557.2 (2)
C103—C104—C105—C1000.1 (4)C225—C220—C221—C2220.1 (4)
C101—C100—C105—C1040.1 (4)P2—C220—C221—C222175.8 (2)
P1—C100—C105—C104175.2 (2)C220—C221—C222—C2230.3 (4)
C100—P1—C110—C11516.2 (3)C221—C222—C223—C2240.4 (4)
C120—P1—C110—C11593.8 (2)C222—C223—C224—C2250.0 (4)
Ag—P1—C110—C115137.3 (2)C221—C220—C225—C2240.4 (4)
C100—P1—C110—C111164.8 (2)P2—C220—C225—C224176.4 (2)
C120—P1—C110—C11185.2 (2)C223—C224—C225—C2200.4 (4)
Ag—P1—C110—C11143.6 (2)
 

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