metal-organic compounds\(\def\hfill{\hskip 5em}\def\hfil{\hskip 3em}\def\eqno#1{\hfil {#1}}\)

Journal logoCRYSTALLOGRAPHIC
COMMUNICATIONS
ISSN: 2056-9890

Crystal structure of tris­­[μ2-bis­­(di­phenyl­phosphan­yl)methane-κ2P:P′]di-μ3-iodido-tris­­ilver(I) iodide–N-phenyl­thio­urea (1/1)

aDepartment of Chemistry, Faculty of Science, Prince of Songkla University, Hat Yai, Songkhla 90112, Thailand, and bDepartment of Chemistry, Youngstown State University, 1 University Plaza, 44555, Youngstown, OH, USA
*Correspondence e-mail: yupa.t@psu.ac.th

Edited by A. J. Lough, University of Toronto, Canada (Received 2 September 2015; accepted 12 September 2015; online 3 October 2015)

The title complex, [Ag3I2(C25H22P2)3]I·C7H8N2S, comprises a trinuclear [Ag3I2(C25H22P2)3]+ unit, an I anion and one N,N′-phenyl­thio­urea mol­ecule (ptu). Two μ3-bridging I anions are linked by three AgI ions, leading to the formation of a dicapped triangular motif with Ag⋯Ag separations in the range 3.0823 (5)–3.2999 (5) Å. Each AgI atom exhibits a distorted tetra­hedral geometry, with coordination to two I atoms and two P atoms from bis­(di­phenyl­phosphan­yl)methane ligands. In the crystal, the I anion is linked to the ptu mol­ecule through two N—H⋯I hydrogen bonds [graph-set motif R21(6)]. These N—H⋯I hydrogen bonds, in addition to weak C—H⋯S and C—H⋯I hydrogen bonds, form zigzag chains along [010]. Two of the phenyl rings of two dppm ligands are disordered over two sets of sites with refined occupancies of 0.557 (16) and 0.443 (16).

1. Related literature

For bis­(di­phenyl­phosphino)methane (dppm) complexes formed with metal(I) ions, see: Bera et al. (1998[Bera, J. K., Nethaji, M. & Samuelson, A. G. (1998). Inorg. Chem. 38, 218-228.]); Matsumoto et al. (2001[Matsumoto, K., Tanaka, R., Shimomura, R., Matsumoto, C. & Nakao, Y. (2001). Inorg. Chim. Acta, 322, 125-129.]); Nicola et al. (2005[Nicola, C. D., Effendy, Fazaroh, F., Pettinari, C., Skelton, B. W., Somers, N. & White, A. H. (2005). Inorg. Chim. Acta, 358, 720-734.]). For the complex [Ag3(C25H22P2)3(μ3-Br)2]+, see: Nimthong-Roldán et al. (2015[Nimthong-Roldán, A., Wattanakanjana, Y. & Rodkeaw, J. (2015). Acta Cryst. E71, m89-m90.]).

[Scheme 1]

2. Experimental

2.1. Crystal data

  • [Ag3I2(C25H22P2)3]I·C7H8N2S

  • Mr = 2009.62

  • Monoclinic, P 21 /n

  • a = 10.8177 (4) Å

  • b = 28.5680 (11) Å

  • c = 26.1639 (11) Å

  • β = 95.315 (2)°

  • V = 8050.9 (5) Å3

  • Z = 4

  • Cu Kα radiation

  • μ = 16.53 mm−1

  • T = 296 K

  • 0.14 × 0.04 × 0.03 mm

2.2. Data collection

  • Bruker Prospector CCD diffractometer

  • Absorption correction: multi-scan (SADABS; Bruker, 2013[Bruker (2013). APEX2, SAINT and SADABS . Bruker AXS Inc., Madison, Wisconsin, USA.]) Tmin = 0.394, Tmax = 0.753

  • 82145 measured reflections

  • 14160 independent reflections

  • 12277 reflections with I > 2σ(I)

  • Rint = 0.056

2.3. Refinement

  • R[F2 > 2σ(F2)] = 0.039

  • wR(F2) = 0.104

  • S = 1.08

  • 14160 reflections

  • 983 parameters

  • 216 restraints

  • H-atom parameters constrained

  • Δρmax = 1.16 e Å−3

  • Δρmin = −1.04 e Å−3

Table 1
Hydrogen-bond geometry (Å, °)

D—H⋯A D—H H⋯A DA D—H⋯A
N1—H1A⋯I3 0.86 2.82 3.633 (9) 159
N2—H2A⋯I3 0.86 2.72 3.568 (6) 170
C53—H53⋯S1i 0.99 2.88 3.67 (2) 143
C13—H13B⋯I3 0.99 3.04 3.933 (4) 153
Symmetry code: (i) [-x+{\script{3\over 2}}, y-{\script{1\over 2}}, -z+{\script{3\over 2}}].

Data collection: APEX2 (Bruker, 2013[Bruker (2013). APEX2, SAINT and SADABS . Bruker AXS Inc., Madison, Wisconsin, USA.]); cell refinement: SAINT (Bruker, 2013[Bruker (2013). APEX2, SAINT and SADABS . Bruker AXS Inc., Madison, Wisconsin, USA.]); data reduction: SAINT; program(s) used to solve structure: SHELXS97 (Sheldrick, 2008[Sheldrick, G. M. (2008). Acta Cryst. A64, 112-122.]); program(s) used to refine structure: SHELXL2014 (Sheldrick, 2015[Sheldrick, G. M. (2015). Acta Cryst. C71, 3-8.]) and SHELXLE (Hübschle et al., 2011[Hübschle, C. B., Sheldrick, G. M. & Dittrich, B. (2011). J. Appl. Cryst. 44, 1281-1284.]); molecular graphics: Mercury (Macrae et al., 2008[Macrae, C. F., Bruno, I. J., Chisholm, J. A., Edgington, P. R., McCabe, P., Pidcock, E., Rodriguez-Monge, L., Taylor, R., van de Streek, J. & Wood, P. A. (2008). J. Appl. Cryst. 41, 466-470.]); software used to prepare material for publication: publCIF (Westrip, 2010[Westrip, S. P. (2010). J. Appl. Cryst. 43, 920-925.]).

Supporting information


Comment top

Complexes of bis­(di­phenyl­phosphino)methane (dppm) with metal(I) ions have been extensively studied (Bera et al. 1998; Matsumoto et al. 2001; Nicola et al. 2005). Recently, we reported the complex which we prepared by reacting silver (I) bromide and dppm, followed by the addition of N,N'-phenyl­thio­urea (ptu) in aceto­nitrile solvent. An unexpected complex [Ag3(C25H22P2)33-Br)2]+ unit was formed with uncoordinated ptu (Nimthong-Roldán et al. 2015). Herein, we present the complex formed using silver(I) iodide instead of silver(I) bromide under the same conditions.

The title complex consists of a trinuclear [Ag3(C25H22P2)33-I)2]+ unit, a discrete I- anion and one N,N′-phenyl­thio­urea molecule (ptu). Three AgI ions in the corners of the trianglular plane are linked via two bridging µ3-I anions, forming a dicapped triangular geometry with a Ag···Ag separations range of 3.0823 (5)–3.2999 (5) Å. Each AgI ion coordinates to two iodide ions and two P atoms of two dppm ligands in a distorted tetra­hedral geometry (Fig 1). In the crystal, two N—H···I hydrogen bonds exist between the iodide anion and ptu molecule [graph-set motif R2 1(6)] (Table 1). These hydrogen bonds are in turn connected via weak C—H···S and C—H···I hydrogen bonds, forming a zig-zag chain along [010] (Fig. 2, Table 1). Two of the phenyl rings from two dppm ligands are disordered over two sites with refined occupancies 0.557 (16) and 0.443 (16).

Synthesis and crystallization top

Bis(di­phenyl­phosphino)methane, dppm, (0.1 g, 0.26 mmol) was dissolved in 30 ml of aceto­nitrile at 343 K and then silver(I) iodide, AgI, (0.06 g, 0.26 mmol) was added. The mixture was stirred for 4 hr and then N,N′-phenyl­thio­urea, ptu, (0.04 g, 0.26 mmol) was added and the new reaction mixture was heated under reflux for 6 hr during which the precipitate gradually disappeared. The resulting clear solution was filtered and left to evaporate at room temperature. The crystalline complex, which deposited upon standing for several days, was filtered off and dried in vacuo.

Refinement details top

H atoms bonded to C and N atoms were included in calculated positions and were refined with a riding model using distances of 0.95 Å (aryl H), and Uiso(H) = 1.2Ueq(C); 0.99 Å (CH2) and Uiso(H) = 1.5Ueq(C); 0.88 Å (NH), and Uiso(H) = 1.2Ueq(N). Two phenyl rings from two dppm ligands are disordered. The geometry of the minor component of each pair of disordered phenyl rings was restrained to be similar to that of the major componnet (within a standard deviation of 0.02 Å). Carbon atoms of one phenyl ring were restrained with effective standard deviation 0.01 to have the same Uij components. To ensure satisfactory refinement the atoms of each disorder component of the phenyl rings were restrained to lie within a common plane. The overall ratio of the two components of disorder, refined with the same free variable, is 0.557 (16):0.443 (16).

Related literature top

For bis(diphenylphosphino)methane (dppm) complexes formed with metal(I) ions, see: Bera et al. (1998); Matsumoto et al. (2001); Nicola et al. (2005). For the complex [Ag3(C25H22P2)33-Br)2]+, see: Nimthong-Roldán et al. (2015).

Structure description top

Complexes of bis­(di­phenyl­phosphino)methane (dppm) with metal(I) ions have been extensively studied (Bera et al. 1998; Matsumoto et al. 2001; Nicola et al. 2005). Recently, we reported the complex which we prepared by reacting silver (I) bromide and dppm, followed by the addition of N,N'-phenyl­thio­urea (ptu) in aceto­nitrile solvent. An unexpected complex [Ag3(C25H22P2)33-Br)2]+ unit was formed with uncoordinated ptu (Nimthong-Roldán et al. 2015). Herein, we present the complex formed using silver(I) iodide instead of silver(I) bromide under the same conditions.

The title complex consists of a trinuclear [Ag3(C25H22P2)33-I)2]+ unit, a discrete I- anion and one N,N′-phenyl­thio­urea molecule (ptu). Three AgI ions in the corners of the trianglular plane are linked via two bridging µ3-I anions, forming a dicapped triangular geometry with a Ag···Ag separations range of 3.0823 (5)–3.2999 (5) Å. Each AgI ion coordinates to two iodide ions and two P atoms of two dppm ligands in a distorted tetra­hedral geometry (Fig 1). In the crystal, two N—H···I hydrogen bonds exist between the iodide anion and ptu molecule [graph-set motif R2 1(6)] (Table 1). These hydrogen bonds are in turn connected via weak C—H···S and C—H···I hydrogen bonds, forming a zig-zag chain along [010] (Fig. 2, Table 1). Two of the phenyl rings from two dppm ligands are disordered over two sites with refined occupancies 0.557 (16) and 0.443 (16).

For bis(diphenylphosphino)methane (dppm) complexes formed with metal(I) ions, see: Bera et al. (1998); Matsumoto et al. (2001); Nicola et al. (2005). For the complex [Ag3(C25H22P2)33-Br)2]+, see: Nimthong-Roldán et al. (2015).

Synthesis and crystallization top

Bis(di­phenyl­phosphino)methane, dppm, (0.1 g, 0.26 mmol) was dissolved in 30 ml of aceto­nitrile at 343 K and then silver(I) iodide, AgI, (0.06 g, 0.26 mmol) was added. The mixture was stirred for 4 hr and then N,N′-phenyl­thio­urea, ptu, (0.04 g, 0.26 mmol) was added and the new reaction mixture was heated under reflux for 6 hr during which the precipitate gradually disappeared. The resulting clear solution was filtered and left to evaporate at room temperature. The crystalline complex, which deposited upon standing for several days, was filtered off and dried in vacuo.

Refinement details top

H atoms bonded to C and N atoms were included in calculated positions and were refined with a riding model using distances of 0.95 Å (aryl H), and Uiso(H) = 1.2Ueq(C); 0.99 Å (CH2) and Uiso(H) = 1.5Ueq(C); 0.88 Å (NH), and Uiso(H) = 1.2Ueq(N). Two phenyl rings from two dppm ligands are disordered. The geometry of the minor component of each pair of disordered phenyl rings was restrained to be similar to that of the major componnet (within a standard deviation of 0.02 Å). Carbon atoms of one phenyl ring were restrained with effective standard deviation 0.01 to have the same Uij components. To ensure satisfactory refinement the atoms of each disorder component of the phenyl rings were restrained to lie within a common plane. The overall ratio of the two components of disorder, refined with the same free variable, is 0.557 (16):0.443 (16).

Computing details top

Data collection: APEX2 (Bruker, 2013); cell refinement: SAINT (Bruker, 2013); data reduction: SAINT (Bruker, 2013); program(s) used to solve structure: SHELXS97 (Sheldrick, 2008); program(s) used to refine structure: SHELXL2014 (Sheldrick, 2015) and SHELXLE (Hübschle et al., 2011); molecular graphics: Mercury (Macrae et al., 2008); software used to prepare material for publication: publCIF (Westrip, 2010).

Figures top
[Figure 1] Fig. 1. The molecular structure with displacement ellipsoids drawn at the 50% probability level. All H atoms and the minor component of disorder are omitted for clarity.
[Figure 2] Fig. 2. Part of the crystal structure showing intermolecular N—H···I, C—H···S and C—H···I hydrogen bonds as dashed lines, forming a chain along [010].
Tris[µ2-bis(diphenylphosphanyl)methane-κ2P:P']di-µ3-iodido-trisilver(I) iodide–N-phenylthiourea (1/1) top
Crystal data top
[Ag3I2(C25H22P2)3]I·C7H8N2SF(000) = 3944
Mr = 2009.62Dx = 1.658 Mg m3
Monoclinic, P21/nCu Kα radiation, λ = 1.54178 Å
a = 10.8177 (4) ÅCell parameters from 9031 reflections
b = 28.5680 (11) Åθ = 2.3–66.5°
c = 26.1639 (11) ŵ = 16.53 mm1
β = 95.315 (2)°T = 296 K
V = 8050.9 (5) Å3Block, colourless
Z = 40.14 × 0.04 × 0.03 mm
Data collection top
Bruker Prospector CCD
diffractometer
14160 independent reflections
Radiation source: I-mu-S microsource X-ray tube12277 reflections with I > 2σ(I)
Laterally graded multilayer (Goebel) mirror monochromatorRint = 0.056
ω and φ scansθmax = 67.2°, θmin = 2.3°
Absorption correction: multi-scan
(SADABS; Bruker, 2013)
h = 1212
Tmin = 0.394, Tmax = 0.753k = 3433
82145 measured reflectionsl = 3031
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)] = 0.039Hydrogen site location: inferred from neighbouring sites
wR(F2) = 0.104H-atom parameters constrained
S = 1.08 w = 1/[σ2(Fo2) + (0.0506P)2 + 12.1838P]
where P = (Fo2 + 2Fc2)/3
14160 reflections(Δ/σ)max = 0.002
983 parametersΔρmax = 1.16 e Å3
216 restraintsΔρmin = 1.04 e Å3
Crystal data top
[Ag3I2(C25H22P2)3]I·C7H8N2SV = 8050.9 (5) Å3
Mr = 2009.62Z = 4
Monoclinic, P21/nCu Kα radiation
a = 10.8177 (4) ŵ = 16.53 mm1
b = 28.5680 (11) ÅT = 296 K
c = 26.1639 (11) Å0.14 × 0.04 × 0.03 mm
β = 95.315 (2)°
Data collection top
Bruker Prospector CCD
diffractometer
14160 independent reflections
Absorption correction: multi-scan
(SADABS; Bruker, 2013)
12277 reflections with I > 2σ(I)
Tmin = 0.394, Tmax = 0.753Rint = 0.056
82145 measured reflections
Refinement top
R[F2 > 2σ(F2)] = 0.039216 restraints
wR(F2) = 0.104H-atom parameters constrained
S = 1.08 w = 1/[σ2(Fo2) + (0.0506P)2 + 12.1838P]
where P = (Fo2 + 2Fc2)/3
14160 reflectionsΔρmax = 1.16 e Å3
983 parametersΔρmin = 1.04 e Å3
Special details top

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

Fractional atomic coordinates and isotropic or equivalent isotropic displacement parameters (Å2) top
xyzUiso*/UeqOcc. (<1)
I10.09573 (3)0.07662 (2)0.74036 (2)0.04248 (9)
I20.49507 (3)0.04371 (2)0.81433 (2)0.04443 (9)
I30.39502 (4)0.18325 (2)0.50190 (2)0.07625 (14)
Ag10.32400 (3)0.03008 (2)0.71995 (2)0.04176 (9)
Ag20.33079 (3)0.12525 (2)0.77564 (2)0.03938 (9)
Ag30.23020 (4)0.03137 (2)0.83250 (2)0.04526 (10)
S10.8130 (3)0.30895 (9)0.55157 (10)0.1102 (8)
N10.5783 (8)0.2843 (3)0.5464 (3)0.106 (2)
H1A0.51930.26430.54070.127*
H1B0.56200.31260.55500.127*
N20.7041 (6)0.2262 (2)0.5281 (2)0.0783 (16)
H2A0.63390.21210.52230.094*
P10.39878 (11)0.06755 (4)0.64386 (4)0.0340 (2)
C10.3240 (5)0.04256 (16)0.58416 (18)0.0409 (11)
C20.2052 (6)0.0260 (3)0.5856 (2)0.0676 (17)
H20.16550.02920.61540.081*
C30.1443 (7)0.0045 (3)0.5432 (3)0.088 (2)
H30.06440.00710.54470.106*
C40.2018 (8)0.0004 (3)0.4990 (3)0.086 (2)
H40.16050.01340.47010.103*
C50.3164 (8)0.0163 (4)0.4975 (3)0.099 (3)
H50.35600.01260.46770.119*
C60.3785 (7)0.0384 (3)0.5396 (2)0.080 (2)
H60.45770.05040.53740.096*
C70.5644 (4)0.06579 (16)0.63783 (17)0.0374 (10)
C80.6341 (5)0.03319 (19)0.6672 (2)0.0512 (12)
H80.59460.01280.68810.061*
C90.7616 (6)0.0304 (2)0.6660 (3)0.0658 (16)
H90.80760.00860.68610.079*
C100.8188 (6)0.0600 (3)0.6348 (2)0.0640 (16)
H100.90440.05830.63390.077*
C110.7528 (5)0.0922 (2)0.6048 (2)0.0593 (15)
H110.79340.11190.58350.071*
C120.6258 (5)0.0954 (2)0.6062 (2)0.0484 (12)
H120.58090.11750.58590.058*
C130.3510 (5)0.12916 (15)0.63727 (17)0.0366 (10)
H13A0.26220.13040.62770.044*
H13B0.39200.14320.60960.044*
P20.38689 (11)0.16385 (4)0.69593 (4)0.0341 (2)
C140.5505 (5)0.17912 (16)0.69543 (17)0.0401 (10)
C150.6363 (5)0.15182 (19)0.72515 (19)0.0478 (12)
H150.60900.12830.74590.057*
C160.7618 (6)0.1597 (2)0.7238 (2)0.0628 (15)
H160.81870.14060.74280.075*
C170.8037 (6)0.1952 (3)0.6947 (2)0.0705 (19)
H170.88840.20050.69410.085*
C180.7194 (7)0.2231 (3)0.6665 (3)0.0731 (19)
H180.74740.24760.64720.088*
C190.5942 (6)0.2152 (2)0.6665 (2)0.0564 (14)
H190.53820.23420.64700.068*
C200.2963 (5)0.21695 (16)0.68020 (19)0.0426 (11)
C210.2735 (7)0.2341 (2)0.6309 (2)0.0631 (16)
H210.31220.22030.60450.076*
C220.1944 (8)0.2714 (2)0.6202 (3)0.077 (2)
H220.18100.28280.58690.093*
C230.1348 (7)0.2918 (2)0.6593 (3)0.078 (2)
H230.07990.31650.65210.093*
C240.1568 (7)0.2758 (2)0.7079 (3)0.0747 (19)
H240.11670.28950.73400.090*
C250.2398 (6)0.23871 (19)0.7191 (2)0.0596 (15)
H250.25680.22870.75290.072*
P30.31631 (10)0.16684 (4)0.85759 (4)0.0306 (2)
C260.4537 (4)0.20236 (15)0.87508 (17)0.0341 (9)
C270.5244 (4)0.21633 (17)0.83608 (19)0.0413 (10)
H270.50200.20670.80250.050*
C280.6280 (5)0.24443 (19)0.8466 (2)0.0520 (13)
H280.67340.25400.82000.062*
C290.6640 (5)0.25822 (18)0.8956 (2)0.0529 (13)
H290.73440.27670.90240.063*
C300.5955 (5)0.24460 (19)0.9349 (2)0.0521 (13)
H300.61980.25420.96830.063*
C310.4909 (5)0.21680 (18)0.9253 (2)0.0451 (11)
H310.44560.20780.95210.054*
C320.1869 (4)0.20864 (15)0.85560 (16)0.0333 (9)
C330.1905 (5)0.24916 (19)0.8851 (2)0.0536 (13)
H330.25980.25570.90770.064*
C340.0911 (6)0.2796 (2)0.8809 (3)0.0660 (17)
H340.09340.30660.90080.079*
C350.0121 (5)0.2700 (2)0.8472 (2)0.0584 (14)
H350.07880.29070.84420.070*
C360.0153 (5)0.2304 (2)0.8186 (2)0.0546 (13)
H360.08500.22380.79630.066*
C370.0833 (5)0.19986 (18)0.82229 (19)0.0449 (11)
H370.08010.17300.80210.054*
C380.3038 (4)0.13077 (16)0.91539 (17)0.0363 (10)
H38A0.38510.11820.92660.044*
H38B0.27880.15070.94260.044*
P40.19276 (11)0.08189 (4)0.90601 (4)0.0349 (2)
C390.0385 (4)0.10805 (16)0.90295 (18)0.0381 (10)
C400.0130 (5)0.14851 (19)0.9295 (2)0.0486 (12)
H400.07570.16310.95040.058*
C410.1067 (6)0.1673 (2)0.9248 (2)0.0588 (15)
H410.12380.19460.94230.071*
C420.1978 (6)0.1457 (2)0.8945 (3)0.0642 (16)
H420.27740.15830.89130.077*
C430.1744 (5)0.1052 (2)0.8683 (3)0.0646 (16)
H430.23820.09030.84830.077*
C440.0551 (5)0.0869 (2)0.8721 (2)0.0521 (13)
H440.03830.06020.85360.062*
C450.2138 (18)0.0542 (7)0.9702 (6)0.051 (5)0.443 (16)
C460.1644 (17)0.0725 (6)1.0117 (5)0.072 (4)0.443 (16)
H460.11450.09901.00770.086*0.443 (16)
C470.1874 (19)0.0520 (7)1.0606 (5)0.084 (4)0.443 (16)
H470.15240.06461.08870.101*0.443 (16)
C480.260 (2)0.0147 (8)1.0659 (7)0.087 (5)0.443 (16)
H480.27630.00161.09830.104*0.443 (16)
C490.311 (2)0.0054 (7)1.0249 (6)0.087 (5)0.443 (16)
H490.35850.03251.02890.105*0.443 (16)
C500.288 (2)0.0163 (6)0.9768 (6)0.074 (4)0.443 (16)
H500.32570.00450.94890.088*0.443 (16)
C45B0.2121 (12)0.0535 (6)0.9686 (5)0.051 (4)0.557 (16)
C46B0.1177 (13)0.0481 (5)0.9986 (5)0.078 (4)0.557 (16)
H46B0.04000.06040.98790.094*0.557 (16)
C47B0.1351 (15)0.0244 (6)1.0457 (6)0.093 (4)0.557 (16)
H47B0.06960.02151.06610.111*0.557 (16)
C48B0.2445 (17)0.0062 (8)1.0609 (7)0.096 (5)0.557 (16)
H48B0.25460.01071.09140.115*0.557 (16)
C49B0.3440 (13)0.0119 (7)1.0321 (6)0.092 (4)0.557 (16)
H49B0.42260.00121.04400.111*0.557 (16)
C50B0.3234 (12)0.0342 (6)0.9848 (6)0.075 (4)0.557 (16)
H50B0.38790.03590.96370.091*0.557 (16)
P50.22108 (12)0.05512 (4)0.82795 (5)0.0405 (3)
C510.2753 (19)0.0795 (9)0.8929 (8)0.057 (4)0.443 (16)
C520.3948 (19)0.0938 (7)0.9079 (8)0.062 (4)0.443 (16)
H520.45520.09210.88480.075*0.443 (16)
C530.4260 (18)0.1108 (8)0.9572 (8)0.071 (5)0.443 (16)
H530.50680.12050.96700.085*0.443 (16)
C540.3376 (18)0.1132 (8)0.9911 (7)0.080 (4)0.443 (16)
H540.35680.12641.02330.095*0.443 (16)
C550.2229 (16)0.0964 (8)0.9781 (6)0.081 (4)0.443 (16)
H550.16630.09531.00280.098*0.443 (16)
C560.1870 (16)0.0808 (7)0.9287 (6)0.070 (4)0.443 (16)
H560.10570.07140.91960.085*0.443 (16)
C51B0.2798 (15)0.0827 (6)0.8872 (6)0.052 (3)0.557 (16)
C52B0.4062 (15)0.0814 (5)0.9008 (6)0.057 (3)0.557 (16)
H52B0.45890.06710.87930.068*0.557 (16)
C53B0.4541 (16)0.1015 (6)0.9469 (6)0.073 (4)0.557 (16)
H53B0.53900.10090.95660.087*0.557 (16)
C54B0.3749 (18)0.1222 (6)0.9777 (6)0.083 (4)0.557 (16)
H54B0.40740.13581.00840.099*0.557 (16)
C55B0.2512 (16)0.1236 (6)0.9653 (5)0.090 (4)0.557 (16)
H55B0.19970.13720.98770.108*0.557 (16)
C56B0.2001 (14)0.1046 (6)0.9187 (5)0.075 (3)0.557 (16)
H56B0.11530.10650.90910.089*0.557 (16)
C570.0702 (5)0.0826 (2)0.8134 (2)0.0506 (12)
C580.0331 (6)0.0548 (3)0.8076 (3)0.0708 (17)
H580.02370.02250.80830.085*
C590.1514 (8)0.0737 (4)0.8007 (4)0.104 (3)
H590.22080.05440.79650.124*
C600.1640 (8)0.1210 (4)0.8003 (4)0.109 (3)
H600.24290.13420.79810.131*
C610.0614 (9)0.1494 (3)0.8031 (4)0.113 (3)
H610.07100.18170.80060.136*
C620.0550 (8)0.1303 (3)0.8094 (4)0.093 (3)
H620.12430.14970.81100.112*
C630.3240 (5)0.08141 (16)0.7838 (2)0.0453 (11)
H63A0.40960.07710.79750.054*
H63B0.30810.11480.78140.054*
P60.30205 (11)0.05569 (4)0.71930 (5)0.0373 (2)
C640.1661 (5)0.08506 (17)0.6882 (2)0.0430 (11)
C650.0617 (5)0.05952 (18)0.6728 (2)0.0525 (13)
H650.05930.02760.67960.063*
C660.0401 (6)0.0814 (2)0.6469 (3)0.0690 (18)
H660.11090.06410.63660.083*
C670.0373 (6)0.1274 (2)0.6367 (3)0.074 (2)
H670.10560.14160.61880.089*
C680.0650 (6)0.1537 (2)0.6523 (3)0.0719 (19)
H680.06530.18570.64580.086*
C690.1676 (5)0.13247 (19)0.6776 (3)0.0581 (14)
H690.23800.15010.68750.070*
C700.4268 (5)0.07933 (16)0.6847 (2)0.0425 (11)
C710.5398 (5)0.0934 (2)0.7075 (3)0.0614 (15)
H710.55360.09430.74310.074*
C720.6333 (6)0.1064 (3)0.6777 (3)0.0739 (19)
H720.70960.11590.69360.089*
C730.6153 (6)0.1055 (2)0.6256 (3)0.0665 (17)
H730.67900.11430.60600.080*
C740.5047 (6)0.0918 (2)0.6024 (2)0.0643 (16)
H740.49190.09160.56670.077*
C750.4095 (6)0.0780 (2)0.6315 (2)0.0561 (14)
H750.33420.06790.61520.067*
C760.6973 (9)0.2714 (3)0.5417 (3)0.088 (2)
C770.8110 (7)0.1979 (3)0.5218 (3)0.0730 (17)
C780.7947 (8)0.1618 (3)0.4878 (3)0.0845 (19)
H780.71800.15780.46920.101*
C790.8880 (10)0.1320 (4)0.4806 (4)0.102 (2)
H790.87550.10750.45720.122*
C801.0011 (10)0.1377 (4)0.5078 (4)0.105 (2)
H801.06620.11740.50280.126*
C811.0174 (9)0.1724 (4)0.5415 (4)0.101 (2)
H811.09450.17600.55990.121*
C820.9232 (7)0.2032 (3)0.5500 (3)0.0864 (19)
H820.93560.22690.57430.104*
Atomic displacement parameters (Å2) top
U11U22U33U12U13U23
I10.03441 (16)0.04363 (16)0.04778 (17)0.00246 (12)0.00487 (12)0.00638 (12)
I20.03447 (16)0.04649 (17)0.05071 (18)0.00075 (12)0.00470 (12)0.00563 (13)
I30.0694 (3)0.1116 (4)0.0482 (2)0.0199 (2)0.00787 (18)0.0156 (2)
Ag10.0532 (2)0.02985 (16)0.04293 (19)0.00234 (14)0.00843 (15)0.00112 (13)
Ag20.0511 (2)0.03475 (17)0.03267 (17)0.00435 (14)0.00573 (13)0.00388 (12)
Ag30.0500 (2)0.03683 (18)0.0495 (2)0.00036 (14)0.00783 (15)0.00519 (14)
S10.148 (2)0.0834 (14)0.1021 (16)0.0216 (14)0.0263 (15)0.0202 (12)
N10.115 (6)0.109 (6)0.097 (5)0.036 (5)0.029 (4)0.034 (4)
N20.078 (4)0.081 (4)0.075 (4)0.000 (3)0.006 (3)0.010 (3)
P10.0388 (6)0.0306 (5)0.0325 (5)0.0033 (4)0.0029 (4)0.0020 (4)
C10.046 (3)0.036 (2)0.041 (3)0.003 (2)0.001 (2)0.0086 (19)
C20.053 (4)0.099 (5)0.050 (3)0.013 (3)0.003 (3)0.016 (3)
C30.063 (4)0.125 (7)0.073 (5)0.025 (4)0.012 (3)0.023 (4)
C40.083 (5)0.107 (6)0.065 (4)0.013 (4)0.012 (4)0.037 (4)
C50.093 (6)0.140 (8)0.065 (5)0.015 (6)0.009 (4)0.046 (5)
C60.071 (4)0.118 (6)0.052 (4)0.035 (4)0.015 (3)0.036 (4)
C70.044 (3)0.035 (2)0.033 (2)0.0017 (19)0.0034 (18)0.0028 (18)
C80.049 (3)0.048 (3)0.058 (3)0.001 (2)0.010 (2)0.005 (2)
C90.059 (4)0.071 (4)0.065 (4)0.015 (3)0.003 (3)0.002 (3)
C100.039 (3)0.089 (5)0.064 (4)0.005 (3)0.006 (3)0.014 (3)
C110.047 (3)0.081 (4)0.050 (3)0.014 (3)0.010 (2)0.000 (3)
C120.048 (3)0.055 (3)0.042 (3)0.005 (2)0.006 (2)0.003 (2)
C130.046 (3)0.032 (2)0.031 (2)0.0008 (19)0.0017 (18)0.0014 (17)
P20.0429 (6)0.0291 (5)0.0302 (5)0.0023 (4)0.0024 (4)0.0003 (4)
C140.050 (3)0.035 (2)0.035 (2)0.008 (2)0.001 (2)0.0046 (18)
C150.049 (3)0.051 (3)0.043 (3)0.006 (2)0.005 (2)0.001 (2)
C160.050 (3)0.079 (4)0.057 (3)0.001 (3)0.007 (3)0.005 (3)
C170.053 (4)0.105 (5)0.054 (3)0.030 (4)0.007 (3)0.011 (3)
C180.074 (4)0.088 (5)0.059 (4)0.035 (4)0.011 (3)0.011 (3)
C190.065 (4)0.057 (3)0.046 (3)0.015 (3)0.002 (2)0.012 (2)
C200.055 (3)0.029 (2)0.043 (3)0.001 (2)0.000 (2)0.0002 (19)
C210.092 (5)0.047 (3)0.049 (3)0.013 (3)0.002 (3)0.003 (2)
C220.111 (6)0.052 (3)0.063 (4)0.017 (4)0.019 (4)0.009 (3)
C230.080 (5)0.038 (3)0.112 (6)0.015 (3)0.010 (4)0.001 (3)
C240.089 (5)0.052 (4)0.086 (5)0.020 (3)0.025 (4)0.002 (3)
C250.083 (4)0.038 (3)0.060 (3)0.010 (3)0.016 (3)0.002 (2)
P30.0323 (6)0.0296 (5)0.0298 (5)0.0010 (4)0.0018 (4)0.0039 (4)
C260.032 (2)0.028 (2)0.040 (2)0.0036 (17)0.0023 (18)0.0028 (17)
C270.042 (3)0.039 (2)0.043 (3)0.002 (2)0.002 (2)0.005 (2)
C280.041 (3)0.049 (3)0.068 (4)0.006 (2)0.011 (2)0.003 (3)
C290.034 (3)0.042 (3)0.081 (4)0.003 (2)0.003 (3)0.006 (3)
C300.046 (3)0.051 (3)0.056 (3)0.001 (2)0.013 (2)0.014 (2)
C310.046 (3)0.045 (3)0.044 (3)0.006 (2)0.001 (2)0.009 (2)
C320.034 (2)0.032 (2)0.033 (2)0.0006 (17)0.0051 (17)0.0008 (17)
C330.050 (3)0.047 (3)0.062 (3)0.005 (2)0.003 (2)0.018 (2)
C340.057 (4)0.050 (3)0.090 (5)0.010 (3)0.004 (3)0.026 (3)
C350.048 (3)0.053 (3)0.075 (4)0.017 (3)0.006 (3)0.001 (3)
C360.041 (3)0.065 (3)0.057 (3)0.007 (2)0.003 (2)0.003 (3)
C370.049 (3)0.043 (3)0.042 (3)0.002 (2)0.000 (2)0.013 (2)
C380.038 (2)0.037 (2)0.034 (2)0.0023 (19)0.0022 (18)0.0020 (18)
P40.0374 (6)0.0321 (5)0.0352 (6)0.0001 (4)0.0037 (4)0.0004 (4)
C390.038 (2)0.038 (2)0.039 (2)0.0001 (19)0.0077 (19)0.0065 (19)
C400.053 (3)0.047 (3)0.048 (3)0.002 (2)0.014 (2)0.001 (2)
C410.056 (4)0.053 (3)0.071 (4)0.015 (3)0.023 (3)0.010 (3)
C420.044 (3)0.069 (4)0.081 (4)0.017 (3)0.012 (3)0.023 (3)
C430.036 (3)0.073 (4)0.082 (4)0.007 (3)0.010 (3)0.013 (3)
C440.047 (3)0.048 (3)0.061 (3)0.004 (2)0.002 (2)0.000 (2)
C450.086 (9)0.040 (7)0.026 (6)0.011 (7)0.002 (7)0.001 (6)
C460.104 (9)0.072 (7)0.040 (6)0.018 (7)0.010 (6)0.012 (5)
C470.117 (9)0.089 (8)0.045 (6)0.012 (7)0.007 (6)0.019 (6)
C480.123 (10)0.084 (8)0.048 (7)0.009 (8)0.017 (7)0.019 (6)
C490.122 (10)0.073 (8)0.061 (7)0.020 (8)0.022 (7)0.009 (6)
C500.110 (10)0.062 (7)0.046 (6)0.017 (7)0.006 (7)0.000 (6)
C45B0.037 (5)0.054 (7)0.061 (7)0.007 (5)0.004 (5)0.023 (6)
C46B0.076 (6)0.088 (7)0.073 (7)0.006 (6)0.014 (5)0.035 (6)
C47B0.100 (7)0.107 (8)0.076 (7)0.001 (7)0.027 (6)0.043 (6)
C48B0.100 (8)0.103 (8)0.084 (8)0.009 (7)0.001 (7)0.050 (7)
C49B0.075 (7)0.100 (8)0.097 (8)0.008 (6)0.019 (6)0.042 (7)
C50B0.054 (6)0.083 (7)0.087 (7)0.001 (5)0.005 (5)0.041 (6)
P50.0442 (7)0.0332 (6)0.0442 (6)0.0012 (5)0.0048 (5)0.0049 (5)
C510.065 (8)0.056 (8)0.049 (8)0.010 (7)0.007 (7)0.016 (6)
C520.070 (8)0.067 (9)0.051 (8)0.013 (6)0.012 (7)0.009 (6)
C530.079 (8)0.082 (9)0.054 (8)0.014 (7)0.013 (7)0.014 (7)
C540.087 (8)0.095 (9)0.057 (8)0.015 (7)0.012 (7)0.020 (7)
C550.089 (8)0.094 (9)0.063 (7)0.010 (7)0.018 (6)0.025 (7)
C560.079 (8)0.075 (8)0.059 (7)0.005 (6)0.015 (6)0.029 (6)
C51B0.068 (7)0.045 (6)0.042 (6)0.006 (5)0.002 (5)0.005 (5)
C52B0.074 (7)0.045 (6)0.049 (6)0.007 (5)0.009 (5)0.009 (5)
C53B0.094 (8)0.068 (6)0.053 (7)0.013 (6)0.011 (6)0.014 (5)
C54B0.109 (8)0.083 (7)0.054 (7)0.012 (6)0.009 (7)0.022 (6)
C55B0.117 (8)0.089 (7)0.062 (6)0.006 (7)0.005 (6)0.027 (6)
C56B0.091 (7)0.075 (7)0.058 (6)0.009 (6)0.007 (5)0.019 (5)
C570.051 (3)0.055 (3)0.047 (3)0.009 (2)0.005 (2)0.007 (2)
C580.056 (4)0.076 (4)0.080 (4)0.005 (3)0.003 (3)0.010 (3)
C590.057 (5)0.125 (8)0.127 (8)0.004 (5)0.003 (4)0.010 (6)
C600.064 (5)0.144 (9)0.116 (7)0.049 (6)0.003 (5)0.014 (6)
C610.099 (7)0.082 (6)0.154 (9)0.047 (5)0.021 (6)0.023 (6)
C620.079 (5)0.053 (4)0.143 (8)0.022 (4)0.013 (5)0.029 (4)
C630.053 (3)0.031 (2)0.053 (3)0.000 (2)0.005 (2)0.002 (2)
P60.0394 (6)0.0265 (5)0.0462 (6)0.0036 (4)0.0056 (5)0.0022 (4)
C640.043 (3)0.036 (2)0.051 (3)0.006 (2)0.007 (2)0.004 (2)
C650.046 (3)0.037 (3)0.075 (4)0.004 (2)0.009 (3)0.014 (2)
C660.044 (3)0.059 (4)0.103 (5)0.000 (3)0.003 (3)0.014 (3)
C670.046 (3)0.062 (4)0.115 (6)0.012 (3)0.004 (3)0.030 (4)
C680.056 (4)0.047 (3)0.114 (6)0.017 (3)0.013 (3)0.030 (3)
C690.049 (3)0.036 (3)0.089 (4)0.005 (2)0.005 (3)0.005 (3)
C700.045 (3)0.030 (2)0.053 (3)0.0053 (19)0.009 (2)0.006 (2)
C710.042 (3)0.076 (4)0.066 (4)0.004 (3)0.006 (3)0.007 (3)
C720.046 (4)0.090 (5)0.087 (5)0.006 (3)0.009 (3)0.007 (4)
C730.054 (4)0.074 (4)0.075 (4)0.005 (3)0.025 (3)0.021 (3)
C740.067 (4)0.071 (4)0.057 (3)0.011 (3)0.018 (3)0.014 (3)
C750.051 (3)0.058 (3)0.061 (3)0.001 (3)0.008 (3)0.004 (3)
C760.109 (6)0.096 (6)0.061 (4)0.014 (5)0.019 (4)0.030 (4)
C770.073 (4)0.081 (4)0.066 (4)0.001 (3)0.011 (3)0.025 (3)
C780.094 (5)0.092 (5)0.067 (4)0.012 (4)0.002 (3)0.013 (3)
C790.113 (5)0.102 (5)0.092 (5)0.009 (5)0.014 (4)0.011 (4)
C800.098 (5)0.108 (5)0.112 (6)0.012 (5)0.029 (4)0.020 (5)
C810.077 (4)0.113 (5)0.113 (5)0.002 (4)0.007 (4)0.016 (5)
C820.073 (4)0.095 (5)0.090 (4)0.005 (4)0.004 (4)0.013 (4)
Geometric parameters (Å, º) top
I1—Ag12.8975 (5)C40—C411.397 (8)
I1—Ag22.9687 (5)C40—H400.9300
I1—Ag32.9916 (5)C41—C421.356 (9)
I2—Ag32.9686 (5)C41—H410.9300
I2—Ag12.9711 (5)C42—C431.378 (10)
I2—Ag23.0455 (5)C42—H420.9300
Ag1—P62.4614 (11)C43—C441.388 (8)
Ag1—P12.4621 (12)C43—H430.9300
Ag1—Ag23.0823 (5)C44—H440.9300
Ag1—Ag33.2026 (5)C45—C501.350 (15)
Ag2—P32.4690 (11)C45—C461.357 (15)
Ag2—P22.4836 (11)C46—C471.408 (15)
Ag2—Ag33.2999 (5)C46—H460.9300
Ag3—P42.4679 (12)C47—C481.321 (18)
Ag3—P52.4753 (12)C47—H470.9300
S1—C761.651 (10)C48—C491.378 (19)
N1—C761.355 (11)C48—H480.9300
N1—H1A0.8600C49—C501.404 (15)
N1—H1B0.8600C49—H490.9300
N2—C761.343 (11)C50—H500.9300
N2—C771.432 (10)C45B—C46B1.354 (14)
N2—H2A0.8600C45B—C50B1.356 (13)
P1—C71.814 (5)C46B—C47B1.403 (14)
P1—C11.836 (5)C46B—H46B0.9300
P1—C131.838 (4)C47B—C48B1.320 (17)
C1—C61.359 (8)C47B—H47B0.9300
C1—C21.373 (8)C48B—C49B1.379 (18)
C2—C31.380 (9)C48B—H48B0.9300
C2—H20.9300C49B—C50B1.393 (14)
C3—C41.368 (11)C49B—H49B0.9300
C3—H30.9300C50B—H50B0.9300
C4—C51.324 (11)P5—C51B1.803 (15)
C4—H40.9300P5—C571.819 (6)
C5—C61.388 (9)P5—C631.838 (5)
C5—H50.9300P5—C511.879 (19)
C6—H60.9300C51—C521.378 (15)
C7—C81.386 (7)C51—C561.400 (16)
C7—C121.395 (7)C52—C531.390 (16)
C8—C91.385 (9)C52—H520.9300
C8—H80.9300C53—C541.365 (19)
C9—C101.363 (10)C53—H530.9300
C9—H90.9300C54—C551.343 (19)
C10—C111.366 (9)C54—H540.9300
C10—H100.9300C55—C561.389 (15)
C11—C121.382 (8)C55—H550.9300
C11—H110.9300C56—H560.9300
C12—H120.9300C51B—C52B1.381 (13)
C13—P21.838 (4)C51B—C56B1.394 (14)
C13—H13A0.9700C52B—C53B1.393 (13)
C13—H13B0.9700C52B—H52B0.9300
P2—C141.824 (5)C53B—C54B1.363 (18)
P2—C201.832 (5)C53B—H53B0.9300
C14—C191.387 (7)C54B—C55B1.349 (19)
C14—C151.393 (7)C54B—H54B0.9300
C15—C161.380 (8)C55B—C56B1.400 (14)
C15—H150.9300C55B—H55B0.9300
C16—C171.371 (10)C56B—H56B0.9300
C16—H160.9300C57—C581.366 (9)
C17—C181.373 (10)C57—C621.376 (9)
C17—H170.9300C58—C591.385 (11)
C18—C191.373 (9)C58—H580.9300
C18—H180.9300C59—C601.358 (14)
C19—H190.9300C59—H590.9300
C20—C211.380 (8)C60—C611.371 (14)
C20—C251.383 (8)C60—H600.9300
C21—C221.378 (9)C61—C621.368 (11)
C21—H210.9300C61—H610.9300
C22—C231.388 (11)C62—H620.9300
C22—H220.9300C63—P61.835 (5)
C23—C241.350 (10)C63—H63A0.9700
C23—H230.9300C63—H63B0.9700
C24—C251.403 (9)P6—C641.818 (5)
C24—H240.9300P6—C701.824 (5)
C25—H250.9300C64—C651.373 (8)
P3—C261.822 (4)C64—C691.383 (7)
P3—C321.837 (4)C65—C661.388 (8)
P3—C381.845 (5)C65—H650.9300
C26—C271.390 (7)C66—C671.342 (9)
C26—C311.400 (6)C66—H660.9300
C27—C281.385 (7)C67—C681.366 (10)
C27—H270.9300C67—H670.9300
C28—C291.363 (8)C68—C691.378 (8)
C28—H280.9300C68—H680.9300
C29—C301.377 (9)C69—H690.9300
C29—H290.9300C70—C711.370 (8)
C30—C311.386 (7)C70—C751.388 (8)
C30—H300.9300C71—C721.382 (9)
C31—H310.9300C71—H710.9300
C32—C371.377 (6)C72—C731.360 (10)
C32—C331.390 (7)C72—H720.9300
C33—C341.379 (8)C73—C741.348 (10)
C33—H330.9300C73—H730.9300
C34—C351.384 (9)C74—C751.392 (9)
C34—H340.9300C74—H740.9300
C35—C361.356 (8)C75—H750.9300
C35—H350.9300C77—C781.362 (11)
C36—C371.374 (8)C77—C821.369 (10)
C36—H360.9300C78—C791.348 (12)
C37—H370.9300C78—H780.9300
C38—P41.843 (5)C79—C801.368 (14)
C38—H38A0.9700C79—H790.9300
C38—H38B0.9700C80—C811.327 (14)
P4—C45B1.821 (13)C80—H800.9300
P4—C391.823 (5)C81—C821.380 (13)
P4—C451.852 (15)C81—H810.9300
C39—C441.375 (7)C82—H820.9300
C39—C401.389 (7)
Ag1—I1—Ag263.383 (11)C45B—P4—C39104.5 (4)
Ag1—I1—Ag365.867 (12)C45B—P4—C38101.4 (6)
Ag2—I1—Ag367.235 (11)C39—P4—C38106.1 (2)
Ag3—I2—Ag165.257 (12)C39—P4—C45104.5 (5)
Ag3—I2—Ag266.541 (12)C38—P4—C45100.3 (7)
Ag1—I2—Ag261.620 (10)C45B—P4—Ag3115.3 (5)
P6—Ag1—P1117.77 (4)C39—P4—Ag3114.90 (16)
P6—Ag1—I1112.01 (3)C38—P4—Ag3113.25 (15)
P1—Ag1—I1107.39 (3)C45—P4—Ag3116.2 (5)
P6—Ag1—I2100.87 (3)C44—C39—C40119.3 (5)
P1—Ag1—I2112.89 (3)C44—C39—P4117.8 (4)
I1—Ag1—I2105.217 (14)C40—C39—P4122.9 (4)
P6—Ag1—Ag2151.56 (3)C39—C40—C41120.2 (5)
P1—Ag1—Ag290.20 (3)C39—C40—H40119.9
I1—Ag1—Ag259.434 (11)C41—C40—H40119.9
I2—Ag1—Ag260.377 (11)C42—C41—C40119.5 (6)
P6—Ag1—Ag388.81 (3)C42—C41—H41120.2
P1—Ag1—Ag3153.41 (3)C40—C41—H41120.2
I1—Ag1—Ag358.479 (11)C41—C42—C43121.1 (5)
I2—Ag1—Ag357.334 (12)C41—C42—H42119.5
Ag2—Ag1—Ag363.309 (11)C43—C42—H42119.5
P3—Ag2—P2123.75 (4)C42—C43—C44119.5 (6)
P3—Ag2—I1111.95 (3)C42—C43—H43120.2
P2—Ag2—I1102.45 (3)C44—C43—H43120.2
P3—Ag2—I299.29 (3)C39—C44—C43120.4 (6)
P2—Ag2—I2116.00 (3)C39—C44—H44119.8
I1—Ag2—I2101.661 (13)C43—C44—H44119.8
P3—Ag2—Ag1146.55 (3)C50—C45—C46118.8 (13)
P2—Ag2—Ag189.53 (3)C50—C45—P4118.7 (11)
I1—Ag2—Ag157.183 (11)C46—C45—P4122.4 (11)
I2—Ag2—Ag158.003 (11)C45—C46—C47121.2 (13)
P3—Ag2—Ag387.10 (3)C45—C46—H46119.4
P2—Ag2—Ag3148.86 (3)C47—C46—H46119.4
I1—Ag2—Ag356.713 (11)C48—C47—C46118.8 (14)
I2—Ag2—Ag355.614 (11)C48—C47—H47120.6
Ag1—Ag2—Ag360.124 (11)C46—C47—H47120.6
P4—Ag3—P5127.78 (4)C47—C48—C49122.2 (14)
P4—Ag3—I2106.61 (3)C47—C48—H48118.9
P5—Ag3—I298.37 (3)C49—C48—H48118.9
P4—Ag3—I1105.83 (3)C48—C49—C50117.6 (14)
P5—Ag3—I1112.23 (3)C48—C49—H49121.2
I2—Ag3—I1102.950 (14)C50—C49—H49121.2
P4—Ag3—Ag1144.31 (3)C45—C50—C49121.3 (14)
P5—Ag3—Ag187.64 (3)C45—C50—H50119.3
I2—Ag3—Ag157.409 (11)C49—C50—H50119.3
I1—Ag3—Ag155.654 (11)C46B—C45B—C50B117.9 (12)
P4—Ag3—Ag287.76 (3)C46B—C45B—P4122.8 (10)
P5—Ag3—Ag2143.41 (3)C50B—C45B—P4119.1 (9)
I2—Ag3—Ag257.845 (11)C45B—C46B—C47B121.1 (12)
I1—Ag3—Ag256.051 (11)C45B—C46B—H46B119.4
Ag1—Ag3—Ag256.567 (10)C47B—C46B—H46B119.4
C76—N1—H1A120.0C48B—C47B—C46B120.0 (13)
C76—N1—H1B120.0C48B—C47B—H47B120.0
H1A—N1—H1B120.0C46B—C47B—H47B120.0
C76—N2—C77129.6 (7)C47B—C48B—C49B120.8 (13)
C76—N2—H2A115.2C47B—C48B—H48B119.6
C77—N2—H2A115.2C49B—C48B—H48B119.6
C7—P1—C1106.0 (2)C48B—C49B—C50B118.1 (12)
C7—P1—C13106.9 (2)C48B—C49B—H49B120.9
C1—P1—C13101.2 (2)C50B—C49B—H49B120.9
C7—P1—Ag1117.36 (15)C45B—C50B—C49B121.9 (12)
C1—P1—Ag1111.52 (17)C45B—C50B—H50B119.1
C13—P1—Ag1112.43 (16)C49B—C50B—H50B119.1
C6—C1—C2118.3 (5)C51B—P5—C57103.3 (5)
C6—C1—P1124.9 (4)C51B—P5—C63100.2 (6)
C2—C1—P1116.8 (4)C57—P5—C63106.0 (3)
C1—C2—C3120.6 (6)C57—P5—C51103.2 (7)
C1—C2—H2119.7C63—P5—C51105.1 (7)
C3—C2—H2119.7C51B—P5—Ag3112.7 (6)
C4—C3—C2119.8 (7)C57—P5—Ag3118.11 (19)
C4—C3—H3120.1C63—P5—Ag3114.48 (16)
C2—C3—H3120.1C51—P5—Ag3108.6 (8)
C5—C4—C3119.8 (6)C52—C51—C56118.8 (14)
C5—C4—H4120.1C52—C51—P5125.0 (12)
C3—C4—H4120.1C56—C51—P5116.1 (13)
C4—C5—C6121.1 (7)C51—C52—C53120.6 (14)
C4—C5—H5119.4C51—C52—H52119.7
C6—C5—H5119.4C53—C52—H52119.7
C1—C6—C5120.3 (7)C54—C53—C52119.7 (15)
C1—C6—H6119.8C54—C53—H53120.2
C5—C6—H6119.8C52—C53—H53120.2
C8—C7—C12118.2 (5)C55—C54—C53120.4 (15)
C8—C7—P1117.5 (4)C55—C54—H54119.8
C12—C7—P1124.3 (4)C53—C54—H54119.8
C9—C8—C7121.2 (5)C54—C55—C56121.4 (15)
C9—C8—H8119.4C54—C55—H55119.3
C7—C8—H8119.4C56—C55—H55119.3
C10—C9—C8119.1 (6)C55—C56—C51118.9 (14)
C10—C9—H9120.5C55—C56—H56120.6
C8—C9—H9120.5C51—C56—H56120.6
C9—C10—C11121.4 (6)C52B—C51B—C56B120.9 (12)
C9—C10—H10119.3C52B—C51B—P5118.0 (10)
C11—C10—H10119.3C56B—C51B—P5121.1 (11)
C10—C11—C12119.8 (6)C51B—C52B—C53B119.4 (13)
C10—C11—H11120.1C51B—C52B—H52B120.3
C12—C11—H11120.1C53B—C52B—H52B120.3
C11—C12—C7120.3 (5)C54B—C53B—C52B119.2 (13)
C11—C12—H12119.8C54B—C53B—H53B120.4
C7—C12—H12119.8C52B—C53B—H53B120.4
P1—C13—P2113.7 (2)C55B—C54B—C53B122.3 (12)
P1—C13—H13A108.8C55B—C54B—H54B118.9
P2—C13—H13A108.8C53B—C54B—H54B118.9
P1—C13—H13B108.8C54B—C55B—C56B120.1 (13)
P2—C13—H13B108.8C54B—C55B—H55B120.0
H13A—C13—H13B107.7C56B—C55B—H55B120.0
C14—P2—C20107.4 (2)C51B—C56B—C55B118.2 (13)
C14—P2—C13104.7 (2)C51B—C56B—H56B120.9
C20—P2—C13101.0 (2)C55B—C56B—H56B120.9
C14—P2—Ag2115.15 (15)C58—C57—C62118.4 (6)
C20—P2—Ag2112.91 (17)C58—C57—P5118.8 (5)
C13—P2—Ag2114.36 (15)C62—C57—P5122.7 (5)
C19—C14—C15118.5 (5)C57—C58—C59121.7 (8)
C19—C14—P2124.2 (4)C57—C58—H58119.2
C15—C14—P2117.3 (4)C59—C58—H58119.2
C16—C15—C14120.1 (5)C60—C59—C58118.6 (9)
C16—C15—H15120.0C60—C59—H59120.7
C14—C15—H15120.0C58—C59—H59120.7
C17—C16—C15120.8 (6)C59—C60—C61120.5 (8)
C17—C16—H16119.6C59—C60—H60119.8
C15—C16—H16119.6C61—C60—H60119.8
C16—C17—C18119.4 (6)C62—C61—C60120.2 (9)
C16—C17—H17120.3C62—C61—H61119.9
C18—C17—H17120.3C60—C61—H61119.9
C17—C18—C19120.7 (6)C61—C62—C57120.3 (8)
C17—C18—H18119.7C61—C62—H62119.8
C19—C18—H18119.7C57—C62—H62119.8
C18—C19—C14120.6 (6)P6—C63—P5112.3 (3)
C18—C19—H19119.7P6—C63—H63A109.1
C14—C19—H19119.7P5—C63—H63A109.1
C21—C20—C25118.3 (5)P6—C63—H63B109.1
C21—C20—P2123.4 (4)P5—C63—H63B109.1
C25—C20—P2118.1 (4)H63A—C63—H63B107.9
C22—C21—C20121.2 (6)C64—P6—C70102.2 (2)
C22—C21—H21119.4C64—P6—C63104.9 (2)
C20—C21—H21119.4C70—P6—C63105.7 (2)
C21—C22—C23119.9 (6)C64—P6—Ag1122.41 (17)
C21—C22—H22120.1C70—P6—Ag1107.26 (15)
C23—C22—H22120.1C63—P6—Ag1112.84 (16)
C24—C23—C22119.8 (6)C65—C64—C69119.0 (5)
C24—C23—H23120.1C65—C64—P6119.7 (4)
C22—C23—H23120.1C69—C64—P6121.2 (4)
C23—C24—C25120.5 (6)C64—C65—C66119.8 (5)
C23—C24—H24119.7C64—C65—H65120.1
C25—C24—H24119.7C66—C65—H65120.1
C20—C25—C24120.2 (6)C67—C66—C65120.5 (6)
C20—C25—H25119.9C67—C66—H66119.8
C24—C25—H25119.9C65—C66—H66119.8
C26—P3—C32104.3 (2)C66—C67—C68120.7 (6)
C26—P3—C38103.0 (2)C66—C67—H67119.7
C32—P3—C38105.8 (2)C68—C67—H67119.7
C26—P3—Ag2111.72 (15)C67—C68—C69119.7 (6)
C32—P3—Ag2113.43 (14)C67—C68—H68120.1
C38—P3—Ag2117.28 (15)C69—C68—H68120.1
C27—C26—C31118.3 (4)C68—C69—C64120.2 (6)
C27—C26—P3117.9 (3)C68—C69—H69119.9
C31—C26—P3123.8 (4)C64—C69—H69119.9
C28—C27—C26120.7 (5)C71—C70—C75118.5 (5)
C28—C27—H27119.6C71—C70—P6124.3 (4)
C26—C27—H27119.6C75—C70—P6116.8 (4)
C29—C28—C27120.7 (5)C70—C71—C72120.2 (6)
C29—C28—H28119.7C70—C71—H71119.9
C27—C28—H28119.7C72—C71—H71119.9
C28—C29—C30119.6 (5)C73—C72—C71121.0 (6)
C28—C29—H29120.2C73—C72—H72119.5
C30—C29—H29120.2C71—C72—H72119.5
C29—C30—C31120.9 (5)C74—C73—C72119.7 (6)
C29—C30—H30119.6C74—C73—H73120.2
C31—C30—H30119.6C72—C73—H73120.2
C30—C31—C26119.9 (5)C73—C74—C75120.4 (6)
C30—C31—H31120.1C73—C74—H74119.8
C26—C31—H31120.1C75—C74—H74119.8
C37—C32—C33118.8 (4)C70—C75—C74120.2 (6)
C37—C32—P3118.2 (3)C70—C75—H75119.9
C33—C32—P3122.9 (4)C74—C75—H75119.9
C34—C33—C32119.9 (5)N2—C76—N1111.2 (8)
C34—C33—H33120.0N2—C76—S1127.4 (7)
C32—C33—H33120.0N1—C76—S1121.4 (8)
C33—C34—C35120.2 (5)C78—C77—C82119.3 (8)
C33—C34—H34119.9C78—C77—N2116.5 (7)
C35—C34—H34119.9C82—C77—N2124.1 (8)
C36—C35—C34119.6 (5)C79—C78—C77121.2 (9)
C36—C35—H35120.2C79—C78—H78119.4
C34—C35—H35120.2C77—C78—H78119.4
C35—C36—C37120.8 (5)C78—C79—C80119.8 (10)
C35—C36—H36119.6C78—C79—H79120.1
C37—C36—H36119.6C80—C79—H79120.1
C36—C37—C32120.6 (5)C81—C80—C79119.5 (10)
C36—C37—H37119.7C81—C80—H80120.3
C32—C37—H37119.7C79—C80—H80120.3
P4—C38—P3114.2 (2)C80—C81—C82121.9 (10)
P4—C38—H38A108.7C80—C81—H81119.0
P3—C38—H38A108.7C82—C81—H81119.0
P4—C38—H38B108.7C77—C82—C81118.3 (9)
P3—C38—H38B108.7C77—C82—H82120.8
H38A—C38—H38B107.6C81—C82—H82120.8
C7—P1—C1—C619.0 (6)C39—P4—C45—C4633.3 (17)
C13—P1—C1—C692.4 (6)C38—P4—C45—C4676.5 (16)
Ag1—P1—C1—C6147.9 (6)Ag3—P4—C45—C46161.1 (13)
C7—P1—C1—C2159.3 (5)C50—C45—C46—C471.5 (19)
C13—P1—C1—C289.3 (5)P4—C45—C46—C47176.6 (16)
Ag1—P1—C1—C230.4 (5)C45—C46—C47—C481 (2)
C6—C1—C2—C31.6 (11)C46—C47—C48—C491 (3)
P1—C1—C2—C3176.8 (6)C47—C48—C49—C503 (4)
C1—C2—C3—C41.2 (13)C46—C45—C50—C493 (3)
C2—C3—C4—C51.3 (15)P4—C45—C50—C49178.2 (16)
C3—C4—C5—C62.0 (16)C48—C49—C50—C454 (3)
C2—C1—C6—C52.3 (12)C39—P4—C45B—C46B10.3 (15)
P1—C1—C6—C5176.0 (7)C38—P4—C45B—C46B120.5 (13)
C4—C5—C6—C12.5 (16)Ag3—P4—C45B—C46B116.7 (12)
C1—P1—C7—C8107.6 (4)C39—P4—C45B—C50B173.9 (14)
C13—P1—C7—C8145.1 (4)C38—P4—C45B—C50B63.7 (15)
Ag1—P1—C7—C817.8 (4)Ag3—P4—C45B—C50B59.0 (16)
C1—P1—C7—C1273.3 (5)C50B—C45B—C46B—C47B1.5 (17)
C13—P1—C7—C1234.1 (5)P4—C45B—C46B—C47B177.4 (13)
Ag1—P1—C7—C12161.3 (4)C45B—C46B—C47B—C48B1.1 (19)
C12—C7—C8—C91.0 (8)C46B—C47B—C48B—C49B3 (3)
P1—C7—C8—C9178.2 (5)C47B—C48B—C49B—C50B5 (3)
C7—C8—C9—C100.7 (9)C46B—C45B—C50B—C49B4 (2)
C8—C9—C10—C110.1 (10)P4—C45B—C50B—C49B179.8 (14)
C9—C10—C11—C120.7 (10)C48B—C49B—C50B—C45B5 (3)
C10—C11—C12—C70.4 (9)C57—P5—C51—C52138.9 (17)
C8—C7—C12—C110.4 (8)C63—P5—C51—C5228 (2)
P1—C7—C12—C11178.7 (4)Ag3—P5—C51—C5294.9 (18)
C7—P1—C13—P279.3 (3)C57—P5—C51—C5644 (2)
C1—P1—C13—P2170.0 (3)C63—P5—C51—C56155.2 (17)
Ag1—P1—C13—P250.9 (3)Ag3—P5—C51—C5681.9 (19)
P1—C13—P2—C1481.1 (3)C56—C51—C52—C532.3 (19)
P1—C13—P2—C20167.4 (3)P5—C51—C52—C53179 (2)
P1—C13—P2—Ag245.8 (3)C51—C52—C53—C540.3 (18)
C20—P2—C14—C1927.0 (5)C52—C53—C54—C554 (3)
C13—P2—C14—C1979.9 (5)C53—C54—C55—C567 (3)
Ag2—P2—C14—C19153.7 (4)C54—C55—C56—C515 (3)
C20—P2—C14—C15154.7 (4)C52—C51—C56—C550 (3)
C13—P2—C14—C1598.5 (4)P5—C51—C56—C55177.0 (16)
Ag2—P2—C14—C1528.0 (4)C57—P5—C51B—C52B159.8 (11)
C19—C14—C15—C162.6 (8)C63—P5—C51B—C52B50.5 (12)
P2—C14—C15—C16175.8 (4)Ag3—P5—C51B—C52B71.7 (12)
C14—C15—C16—C172.2 (9)C57—P5—C51B—C56B20.7 (16)
C15—C16—C17—C180.4 (10)C63—P5—C51B—C56B130.0 (14)
C16—C17—C18—C191.0 (11)Ag3—P5—C51B—C56B107.9 (14)
C17—C18—C19—C140.5 (10)C56B—C51B—C52B—C53B1.0 (16)
C15—C14—C19—C181.3 (8)P5—C51B—C52B—C53B178.6 (13)
P2—C14—C19—C18177.0 (5)C51B—C52B—C53B—C54B0.0 (15)
C14—P2—C20—C2177.9 (5)C52B—C53B—C54B—C55B0 (3)
C13—P2—C20—C2131.4 (6)C53B—C54B—C55B—C56B2 (3)
Ag2—P2—C20—C21154.0 (5)C52B—C51B—C56B—C55B2 (2)
C14—P2—C20—C25107.5 (5)P5—C51B—C56B—C55B177.3 (13)
C13—P2—C20—C25143.2 (5)C54B—C55B—C56B—C51B3 (3)
Ag2—P2—C20—C2520.6 (5)C51B—P5—C57—C58122.4 (8)
C25—C20—C21—C221.3 (10)C63—P5—C57—C58132.7 (5)
P2—C20—C21—C22173.2 (5)C51—P5—C57—C58117.1 (9)
C20—C21—C22—C230.9 (11)Ag3—P5—C57—C582.7 (6)
C21—C22—C23—C241.5 (12)C51B—P5—C57—C6255.6 (9)
C22—C23—C24—C250.2 (12)C63—P5—C57—C6249.3 (7)
C21—C20—C25—C243.0 (9)C51—P5—C57—C6260.9 (10)
P2—C20—C25—C24171.8 (5)Ag3—P5—C57—C62179.2 (6)
C23—C24—C25—C202.5 (11)C62—C57—C58—C593.6 (11)
C32—P3—C26—C2799.9 (4)P5—C57—C58—C59174.6 (7)
C38—P3—C26—C27149.8 (4)C57—C58—C59—C600.7 (14)
Ag2—P3—C26—C2723.0 (4)C58—C59—C60—C614.4 (16)
C32—P3—C26—C3179.3 (4)C59—C60—C61—C623.9 (17)
C38—P3—C26—C3131.1 (4)C60—C61—C62—C570.5 (16)
Ag2—P3—C26—C31157.8 (4)C58—C57—C62—C614.1 (13)
C31—C26—C27—C281.0 (7)P5—C57—C62—C61173.9 (7)
P3—C26—C27—C28178.2 (4)C51B—P5—C63—P6173.4 (6)
C26—C27—C28—C291.3 (8)C57—P5—C63—P679.5 (3)
C27—C28—C29—C301.0 (8)C51—P5—C63—P6171.6 (8)
C28—C29—C30—C310.4 (8)Ag3—P5—C63—P652.6 (3)
C29—C30—C31—C260.2 (8)P5—C63—P6—C6481.0 (3)
C27—C26—C31—C300.5 (7)P5—C63—P6—C70171.4 (3)
P3—C26—C31—C30178.7 (4)P5—C63—P6—Ag154.5 (3)
C26—P3—C32—C37150.1 (4)C70—P6—C64—C65132.3 (5)
C38—P3—C32—C37101.6 (4)C63—P6—C64—C65117.6 (5)
Ag2—P3—C32—C3728.3 (4)Ag1—P6—C64—C6512.5 (5)
C26—P3—C32—C3328.1 (5)C70—P6—C64—C6944.6 (5)
C38—P3—C32—C3380.2 (5)C63—P6—C64—C6965.5 (5)
Ag2—P3—C32—C33149.9 (4)Ag1—P6—C64—C69164.4 (4)
C37—C32—C33—C340.3 (9)C69—C64—C65—C660.0 (9)
P3—C32—C33—C34178.5 (5)P6—C64—C65—C66177.0 (5)
C32—C33—C34—C350.3 (10)C64—C65—C66—C670.3 (11)
C33—C34—C35—C360.5 (11)C65—C66—C67—C681.1 (13)
C34—C35—C36—C370.8 (10)C66—C67—C68—C691.7 (12)
C35—C36—C37—C320.8 (9)C67—C68—C69—C641.5 (11)
C33—C32—C37—C360.6 (8)C65—C64—C69—C680.6 (10)
P3—C32—C37—C36178.9 (4)P6—C64—C69—C68177.6 (5)
C26—P3—C38—P4167.9 (2)C64—P6—C70—C71137.1 (5)
C32—P3—C38—P482.9 (3)C63—P6—C70—C7127.6 (5)
Ag2—P3—C38—P444.8 (3)Ag1—P6—C70—C7193.0 (5)
P3—C38—P4—C45B177.1 (5)C64—P6—C70—C7550.0 (4)
P3—C38—P4—C3973.9 (3)C63—P6—C70—C75159.5 (4)
P3—C38—P4—C45177.6 (5)Ag1—P6—C70—C7579.9 (4)
P3—C38—P4—Ag353.0 (3)C75—C70—C71—C720.6 (9)
C45B—P4—C39—C44105.8 (7)P6—C70—C71—C72173.3 (5)
C38—P4—C39—C44147.5 (4)C70—C71—C72—C730.1 (11)
C45—P4—C39—C44107.0 (8)C71—C72—C73—C740.1 (11)
Ag3—P4—C39—C4421.5 (4)C72—C73—C74—C750.9 (11)
C45B—P4—C39—C4075.6 (7)C71—C70—C75—C741.4 (8)
C38—P4—C39—C4031.2 (5)P6—C70—C75—C74174.7 (5)
C45—P4—C39—C4074.3 (8)C73—C74—C75—C701.6 (10)
Ag3—P4—C39—C40157.1 (4)C77—N2—C76—N1176.3 (6)
C44—C39—C40—C410.2 (8)C77—N2—C76—S14.5 (11)
P4—C39—C40—C41178.8 (4)C76—N2—C77—C78152.1 (7)
C39—C40—C41—C420.5 (8)C76—N2—C77—C8232.6 (11)
C40—C41—C42—C430.2 (9)C82—C77—C78—C791.6 (12)
C41—C42—C43—C441.4 (10)N2—C77—C78—C79177.2 (7)
C40—C39—C44—C431.5 (8)C77—C78—C79—C800.1 (14)
P4—C39—C44—C43179.9 (5)C78—C79—C80—C810.7 (15)
C42—C43—C44—C392.1 (9)C79—C80—C81—C820.0 (15)
C39—P4—C45—C50151.6 (16)C78—C77—C82—C812.2 (12)
C38—P4—C45—C5098.6 (18)N2—C77—C82—C81177.4 (7)
Ag3—P4—C45—C5024 (2)C80—C81—C82—C771.4 (14)
Hydrogen-bond geometry (Å, º) top
D—H···AD—HH···AD···AD—H···A
N1—H1A···I30.862.823.633 (9)159
N2—H2A···I30.862.723.568 (6)170
C53—H53···S1i0.992.883.67 (2)143
C13—H13B···I30.993.043.933 (4)153
Symmetry code: (i) x+3/2, y1/2, z+3/2.
Hydrogen-bond geometry (Å, º) top
D—H···AD—HH···AD···AD—H···A
N1—H1A···I30.862.823.633 (9)159
N2—H2A···I30.862.723.568 (6)170
C53—H53···S1i0.992.883.67 (2)143
C13—H13B···I30.993.043.933 (4)153
Symmetry code: (i) x+3/2, y1/2, z+3/2.
 

Acknowledgements

We are grateful to Department of Chemistry, Faculty of Science, Prince of Songkla University, for financial assistance. We would like to thank Youngstown State University for access to their X-ray diffraction facility, funded in part by NSF Grant DMR 1337296.

References

First citationBera, J. K., Nethaji, M. & Samuelson, A. G. (1998). Inorg. Chem. 38, 218–228.  Web of Science CSD CrossRef Google Scholar
First citationBruker (2013). APEX2, SAINT and SADABS . Bruker AXS Inc., Madison, Wisconsin, USA.  Google Scholar
First citationHübschle, C. B., Sheldrick, G. M. & Dittrich, B. (2011). J. Appl. Cryst. 44, 1281–1284.  Web of Science CrossRef IUCr Journals Google Scholar
First citationMacrae, C. F., Bruno, I. J., Chisholm, J. A., Edgington, P. R., McCabe, P., Pidcock, E., Rodriguez-Monge, L., Taylor, R., van de Streek, J. & Wood, P. A. (2008). J. Appl. Cryst. 41, 466–470.  Web of Science CSD CrossRef CAS IUCr Journals Google Scholar
First citationMatsumoto, K., Tanaka, R., Shimomura, R., Matsumoto, C. & Nakao, Y. (2001). Inorg. Chim. Acta, 322, 125–129.  Web of Science CSD CrossRef CAS Google Scholar
First citationNicola, C. D., Effendy, Fazaroh, F., Pettinari, C., Skelton, B. W., Somers, N. & White, A. H. (2005). Inorg. Chim. Acta, 358, 720–734.  Web of Science CSD CrossRef Google Scholar
First citationNimthong-Roldán, A., Wattanakanjana, Y. & Rodkeaw, J. (2015). Acta Cryst. E71, m89–m90.  CSD CrossRef IUCr Journals Google Scholar
First citationSheldrick, G. M. (2008). Acta Cryst. A64, 112–122.  Web of Science CrossRef CAS IUCr Journals Google Scholar
First citationSheldrick, G. M. (2015). Acta Cryst. C71, 3–8.  Web of Science CrossRef IUCr Journals Google Scholar
First citationWestrip, S. P. (2010). J. Appl. Cryst. 43, 920–925.  Web of Science CrossRef CAS IUCr Journals Google Scholar

This is an open-access article distributed under the terms of the Creative Commons Attribution (CC-BY) Licence, which permits unrestricted use, distribution, and reproduction in any medium, provided the original authors and source are cited.

Journal logoCRYSTALLOGRAPHIC
COMMUNICATIONS
ISSN: 2056-9890
Follow Acta Cryst. E
Sign up for e-alerts
Follow Acta Cryst. on Twitter
Follow us on facebook
Sign up for RSS feeds