Buy article online - an online subscription or single-article purchase is required to access this article.
Download citation
Download citation
link to html
In the title compound, [Pt(C18H15N2)Cl], the PtII centre adopts a distorted square-planar coordination geometry due to the pincer-type monoanionic N–C–N tridentate ligand. The planar complexes stack via π–π inter­actions to form two-dimensional accumulated sheets. This packing pattern is in contrast to that in related pincer-type N–C–N complexes, which exhibit a one-dimensional columnar stacking.

Supporting information

cif

Crystallographic Information File (CIF) https://doi.org/10.1107/S0108270107044009/bm3040sup1.cif
Contains datablocks global, I

hkl

Structure factor file (CIF format) https://doi.org/10.1107/S0108270107044009/bm3040Isup2.hkl
Contains datablock I

CCDC reference: 665490

Comment top

We have been investigating the luminescence color tuning of transition-metal complex crystals due to vapochromism. For example, [Ru(dbb)2(CN)2] (dbb is di-tert-butyl-2,2'-bipyridine) shows a reversible color change from dark red to bright orange in the presence of moisture (Abe & Shinozaki, 2005). We have demonstrated the luminescence vapochromism to organic solvent vapors using a Pt compound with a pincer-type tridentate monoanionic N—C—N ligand 1,3-di(2-pyridyl)phenyl-κ3N,N',C2. Moreover, luminescence mechanochromism, which is the luminescence color change observed upon grinding crystals of the complex, was found for the title compound, (I) (Abe, 2007). However, mechanochromism has not been reported for chlorido{1,3-di(2-pyridyl-κN)phenyl-κC2}platinum(II), which has no methyl groups in the N—C—N ligand (Cárdenas & Echavarren, 1999). We report here a single-crystal X-ray structure analysis of (I).

The molecular structure of the title PtII complex is illustrated in Fig. 1, and selected geometric parameters are given in Table 1. The coordination bond lengths and the bite angles of the N—C—N ligand are typical, as compared with those of the analogous platinum(II) N—C—N tridentate complexes [PtCl{1-R-3,5-(2-py-κN)2C6H2-κC4}] [R = H, (II) (Cárdenas & Echavarren, 1999), COOMe, (III) (Williams et al., 2003), Me, (IV), and 4-PhC6H4, (V) (Farley et al., 2005)] [Pt—C = 1.903 (4)–1.912 (3) Å, Pt—N = 2.033 (6)–2.045 (2) Å, Pt—Cl = 2.405 (1)–2.4221 (8) Å, C—Pt—N = 80.1 (3)–80.9 (2)° and N—Pt—N 161.1 (2)–161.4 (2)°]. Unlike in complexes (II)–(V), the two N—Pt—Cl angles in (I) differ slightly from one another, which is indicative of the distortion of the Cl coordination from the ideal molecular C2v symmetry. The PtII coordination plane is almost coplanar with that of the phenyl ring and with the plane of the pyridyl ring consisting of atoms N2 and C12–C16, the dihedral angles being 1.54 (8) and 3.02 (8)°, respectively. The other pyridyl ring comprising atoms N1 and C7–C11 is, however, slightly twisted from the PtII coordination plane; the dihedral angle is 6.57 (8)°. This twisting would also be related to the packing structure of compound (I) (see below).

The crystal packing of (I) (Figs. 2 and 3) contrasts with those of the related 1-R-3,5-(2-py)2C6H2 complexes (II)–(V), where one-dimensional stacking columns are constructed by the intermolecular ππ interactions (Fig. 4). In the crystal structure of (I), all the molecules are aligned with their coordination planes parallel to the crystallographic (101) plane (Fig. 2), and the aligned molecules compose a two-dimensional sheet parallel to the (101) plane. In the sheet (Fig. 3, middle), two molecules are paired by a ππ interaction in an antiparallel fashion (stack A at the bottom of Fig. 3); the distances of the closest contacts between the PtII complex molecules are 3.477 (2) Å for Pt1···C12i and 3.412 (3) Å for N1···C14i [symmetry code: (i) −x + 2, −y, −z + 2]. The antiparallel arrangement of molecules results primarily from the electrostatic interaction due to the large dipole moment of the PtII complex, which we have estimated as µ = 4.5 D by a density functional theory calculation using the Amsterdam Density Functional package (ADF 2004.01: Te Velde et al., 2001; Ziegler, 1991). On the other side of the molecular plane, however, two neighboring molecules participate in ππ stacking interactions (stack B at the top of Fig. 3) [C8···C14ii = 3.376 (3) Å and C7···C13ii = 3.364 (3) Å; symmetry code: (ii) −x + 3/2, y + 1/2, −z + 3/2]. Thus, a molecule in the crystal structure of (I) interacts in total with three neighbors. This unit expands over the crystallographic (101) plane, forming a two-dimensional sheet (Fig. 3, middle). The difference between the packing of (I) and that in (II)–(V) can be traced to the introduction of methyl substituents at the 5-positions of both pyridyl rings of the N—C—N ligand. The Me groups seem to impede sterically the formation of one-dimensional stacking columns, affording a different packing structure for (I) from those of (II)–(V) and thereby providing a structural rationalization for the novel luminescence properties of (I).

Related literature top

For related literature, see: Abe (2007); Abe & Shinozaki (2005); Cárdenas & Echavarren (1999); Farley et al. (2005); Krönke (1963); Te Velde et al. (2001); Ziegler (1991); Williams et al. (2003).

Experimental top

1,3-Di(5-methyl-2-pyridyl)benzene (5Hdpb) was synthesized from 1,3-diacetylbenzene, methacrolein and ammonium acetate by the procedure described by Krönke (1963). [Pt(5 d pb)Cl] was prepared from K2PtCl4 (200 mg) and 5Hdpb (140 mg) by refluxing in acetic acid (100 ml) for 24 h. Partial removal of solvent by evaporation gave yellow crystals. These were collected by filtration [AUTHOR: At this point you have the sample as solid crystals. Logically, before you can pass them through the column you must either (a) re-dissolve them or (b) place the solid material on top of the column and add an eluent. Please clarify what you did.] and purified by passage through a silica-gel column (1.5 cm in diameter and 30 cm in length) eluted with CHCl3 (200 ml) three times. Addition of hexane to the solution gave bright-yellow crystals (yield 50%). 1H NMR (270 MHz, CDCl3, 298 K, TMS): δ 9.06 (2H, s, CH), 7.68 (2H, d, CH), 7.51 (2H, d, CH), 7.32 (2H, d, CH), 7.13 (1H, t, CH), and 2.37 (6H, s, CH3); ESI–MS m/z = 454 [M—Cl]+, 491 [M+H]+. A single-crystal suitable for X-ray analysis was obtained by the slow evaporation of solvent from an ethanol–toluene (1:1) solution.

Refinement top

Methyl H atoms were located from ΔF syntheses and refined as rigid groups which were allowed to rotate but not tip or distort [C—H = 0.98 Å and Uiso(H) = 1.2Ueq(C)]. Aromatic H atoms were placed geometrically and constrained to ride on their parent atoms [C—H = 0.95 Å and Uiso(H) = 1.2Ueq(C)].

Computing details top

Data collection: PROCESS-AUTO (Rigaku, 1998); cell refinement: PROCESS-AUTO (Rigaku, 1998); data reduction: CrystalStructure (Rigaku, 2005); program(s) used to solve structure: SIR92 (Altomare et al., 1994); program(s) used to refine structure: SHELXL97 (Sheldrick, 1997); molecular graphics: ORTEP-3 for Windows (Farrugia, 1997); software used to prepare material for publication: SHELXL97 (Sheldrick, 1997).

Figures top
[Figure 1] Fig. 1. An ORTEP (Farrugia, 1997) view of (I), showing the atom-numbering scheme. Displacement ellipsoids are drawn at the 50% probability level.
[Figure 2] Fig. 2. The structure of (I), viewed along the b axis.
[Figure 3] Fig. 3. A complementary view of the crystal structure of (I), showing an accumulated sheet in the (101) plane (in the middle), and the two stacking patterns (A at the bottom and B at the top) present in the sheet.
[Figure 4] Fig. 4. The packing of (II) (Cárdenas & Echavarren, 1999), viewed along the a axis.
Chlorido[1,3-di(5-methyl-2-pyridyl)phenyl-κ3 N,N',C2]platinum(II) top
Crystal data top
[PtCl(C18H15N2)]F(000) = 928
Mr = 489.86Dx = 2.097 Mg m3
Monoclinic, P21/nMo Kα radiation, λ = 0.71075 Å
a = 9.657 (4) ÅCell parameters from 12459 reflections
b = 12.969 (5) Åθ = 3.1–27.4°
c = 12.962 (6) ŵ = 9.21 mm1
β = 107.092 (17)°T = 200 K
V = 1551.7 (11) Å3Parallelepiped, yellow
Z = 40.20 × 0.15 × 0.12 mm
Data collection top
Rigaku R-AXIS RAPID
diffractometer
3524 independent reflections
Radiation source: fine-focus sealed tube3301 reflections with I > 2σ(I)
Graphite monochromatorRint = 0.028
Detector resolution: 10.00 pixels mm-1θmax = 27.4°, θmin = 3.1°
ω scansh = 1212
Absorption correction: numerical
(SHAPE; Higashi, 1999)
k = 1616
Tmin = 0.260, Tmax = 0.459l = 1616
14606 measured reflections
Refinement top
Refinement on F2Secondary atom site location: difference Fourier map
Least-squares matrix: fullHydrogen site location: inferred from neighbouring sites
R[F2 > 2σ(F2)] = 0.018H-atom parameters constrained
wR(F2) = 0.039 w = 1/[σ2(Fo2) + (0.012P)2 + 1.691P]
where P = (Fo2 + 2Fc2)/3
S = 1.07(Δ/σ)max = 0.002
3524 reflectionsΔρmax = 0.92 e Å3
203 parametersΔρmin = 0.71 e Å3
0 restraintsExtinction correction: SHELXL97, Fc*=kFc[1+0.001xFc2λ3/sin(2θ)]-1/4
Primary atom site location: structure-invariant direct methodsExtinction coefficient: 0.00142 (12)
Crystal data top
[PtCl(C18H15N2)]V = 1551.7 (11) Å3
Mr = 489.86Z = 4
Monoclinic, P21/nMo Kα radiation
a = 9.657 (4) ŵ = 9.21 mm1
b = 12.969 (5) ÅT = 200 K
c = 12.962 (6) Å0.20 × 0.15 × 0.12 mm
β = 107.092 (17)°
Data collection top
Rigaku R-AXIS RAPID
diffractometer
3524 independent reflections
Absorption correction: numerical
(SHAPE; Higashi, 1999)
3301 reflections with I > 2σ(I)
Tmin = 0.260, Tmax = 0.459Rint = 0.028
14606 measured reflections
Refinement top
R[F2 > 2σ(F2)] = 0.0180 restraints
wR(F2) = 0.039H-atom parameters constrained
S = 1.07Δρmax = 0.92 e Å3
3524 reflectionsΔρmin = 0.71 e Å3
203 parameters
Fractional atomic coordinates and isotropic or equivalent isotropic displacement parameters (Å2) top
xyzUiso*/Ueq
Pt10.847333 (11)0.139609 (7)0.909274 (8)0.02194 (5)
Cl10.75862 (8)0.23422 (6)1.03678 (6)0.03561 (17)
N10.9244 (2)0.26150 (17)0.84517 (17)0.0240 (5)
N20.7979 (2)0.00789 (17)0.94057 (18)0.0250 (5)
C10.9255 (3)0.0675 (2)0.8102 (2)0.0261 (6)
C20.9951 (3)0.1242 (2)0.7486 (2)0.0292 (6)
C31.0501 (3)0.0717 (3)0.6747 (3)0.0369 (7)
H31.09600.10840.63040.044*
C41.0364 (4)0.0350 (3)0.6675 (3)0.0430 (8)
H41.07280.07070.61690.052*
C50.9708 (4)0.0916 (2)0.7320 (3)0.0375 (7)
H50.96440.16450.72610.045*
C60.9149 (3)0.0397 (2)0.8050 (2)0.0292 (6)
C70.9979 (3)0.2353 (2)0.7720 (2)0.0265 (6)
C81.0659 (3)0.3109 (2)0.7291 (2)0.0345 (7)
H81.11950.29280.68090.041*
C91.0553 (3)0.4130 (2)0.7567 (2)0.0356 (7)
H91.10340.46470.72820.043*
C100.9752 (3)0.4412 (2)0.8256 (2)0.0302 (6)
C110.9132 (3)0.3615 (2)0.8690 (2)0.0267 (6)
H110.86020.37870.91780.032*
C120.8434 (3)0.0819 (2)0.8812 (2)0.0281 (6)
C130.8192 (3)0.1855 (2)0.8979 (2)0.0333 (6)
H130.85200.23700.85850.040*
C140.7477 (3)0.2137 (2)0.9714 (3)0.0346 (7)
H140.73090.28450.98200.041*
C150.7003 (3)0.1392 (2)1.0297 (3)0.0318 (6)
C160.7295 (3)0.0366 (2)1.0124 (2)0.0299 (6)
H160.69990.01521.05320.036*
C170.9544 (4)0.5519 (2)0.8512 (3)0.0381 (7)
H17A1.04860.58670.87370.046*
H17B0.90930.55540.90960.046*
H17C0.89170.58600.78680.046*
C180.6186 (4)0.1671 (3)1.1096 (3)0.0422 (8)
H18A0.52790.12801.09270.051*
H18B0.67820.15031.18290.051*
H18C0.59700.24111.10470.051*
Atomic displacement parameters (Å2) top
U11U22U33U12U13U23
Pt10.02406 (7)0.02172 (7)0.02167 (6)0.00088 (4)0.00927 (4)0.00136 (4)
Cl10.0458 (4)0.0314 (4)0.0402 (4)0.0051 (3)0.0290 (4)0.0067 (3)
N10.0243 (11)0.0263 (12)0.0222 (11)0.0010 (9)0.0078 (9)0.0009 (9)
N20.0261 (12)0.0235 (11)0.0260 (11)0.0011 (9)0.0084 (10)0.0001 (9)
C10.0248 (13)0.0287 (14)0.0248 (13)0.0032 (11)0.0072 (11)0.0039 (11)
C20.0294 (15)0.0324 (15)0.0273 (14)0.0026 (12)0.0104 (12)0.0012 (11)
C30.0408 (17)0.0403 (18)0.0366 (16)0.0016 (14)0.0219 (15)0.0008 (14)
C40.051 (2)0.0403 (18)0.0454 (19)0.0056 (15)0.0266 (17)0.0115 (15)
C50.0453 (18)0.0295 (16)0.0417 (17)0.0044 (14)0.0192 (15)0.0078 (13)
C60.0294 (15)0.0283 (14)0.0291 (14)0.0021 (11)0.0074 (12)0.0027 (11)
C70.0277 (14)0.0322 (15)0.0214 (12)0.0038 (11)0.0101 (11)0.0007 (11)
C80.0348 (16)0.0414 (17)0.0318 (15)0.0004 (14)0.0168 (13)0.0029 (13)
C90.0412 (17)0.0337 (16)0.0342 (16)0.0061 (14)0.0146 (14)0.0067 (13)
C100.0338 (15)0.0298 (15)0.0252 (14)0.0049 (12)0.0058 (12)0.0033 (11)
C110.0288 (14)0.0282 (14)0.0221 (13)0.0007 (11)0.0059 (11)0.0016 (10)
C120.0270 (14)0.0272 (14)0.0272 (14)0.0001 (11)0.0034 (11)0.0029 (11)
C130.0356 (16)0.0239 (14)0.0373 (16)0.0011 (12)0.0060 (13)0.0045 (12)
C140.0367 (16)0.0236 (14)0.0392 (17)0.0055 (12)0.0046 (14)0.0023 (12)
C150.0312 (16)0.0293 (15)0.0328 (16)0.0046 (12)0.0063 (13)0.0015 (12)
C160.0292 (15)0.0293 (15)0.0306 (15)0.0043 (12)0.0079 (12)0.0017 (12)
C170.0494 (19)0.0264 (15)0.0368 (17)0.0054 (13)0.0098 (15)0.0001 (12)
C180.048 (2)0.0347 (17)0.049 (2)0.0085 (15)0.0222 (17)0.0058 (15)
Geometric parameters (Å, º) top
Pt1—C11.915 (3)C8—H80.9500
Pt1—N12.027 (2)C9—C101.391 (4)
Pt1—N22.041 (2)C9—H90.9500
Pt1—Cl12.4091 (10)C10—C111.393 (4)
N1—C111.345 (3)C10—C171.501 (4)
N1—C71.384 (3)C11—H110.9500
N2—C161.343 (4)C12—C131.391 (4)
N2—C121.380 (4)C13—C141.380 (4)
C1—C61.394 (4)C13—H130.9500
C1—C21.394 (4)C14—C151.384 (4)
C2—C31.400 (4)C14—H140.9500
C2—C71.471 (4)C15—C161.392 (4)
C3—C41.392 (5)C15—C181.519 (4)
C3—H30.9500C16—H160.9500
C4—C51.396 (5)C17—H17A0.9800
C4—H40.9500C17—H17B0.9800
C5—C61.393 (4)C17—H17C0.9800
C5—H50.9500C18—H18A0.9800
C6—C121.469 (4)C18—H18B0.9800
C7—C81.385 (4)C18—H18C0.9800
C8—C91.383 (5)
C1—Pt1—N180.87 (11)C8—C9—C10121.0 (3)
C1—Pt1—N280.61 (11)C8—C9—H9119.5
N1—Pt1—N2161.47 (9)C10—C9—H9119.5
C1—Pt1—Cl1177.56 (9)C9—C10—C11116.8 (3)
N1—Pt1—Cl197.56 (7)C9—C10—C17121.9 (3)
N2—Pt1—Cl1100.94 (7)C11—C10—C17121.3 (3)
C11—N1—C7119.1 (2)N1—C11—C10123.4 (3)
C11—N1—Pt1126.45 (19)N1—C11—H11118.3
C7—N1—Pt1114.43 (18)C10—C11—H11118.3
C16—N2—C12119.7 (2)N2—C12—C13119.3 (3)
C16—N2—Pt1126.13 (19)N2—C12—C6113.9 (3)
C12—N2—Pt1114.19 (18)C13—C12—C6126.7 (3)
C6—C1—C2122.6 (3)C14—C13—C12120.2 (3)
C6—C1—Pt1118.8 (2)C14—C13—H13119.9
C2—C1—Pt1118.5 (2)C12—C13—H13119.9
C1—C2—C3118.6 (3)C13—C14—C15120.4 (3)
C1—C2—C7112.5 (2)C13—C14—H14119.8
C3—C2—C7129.0 (3)C15—C14—H14119.8
C4—C3—C2118.8 (3)C14—C15—C16117.6 (3)
C4—C3—H3120.6C14—C15—C18121.8 (3)
C2—C3—H3120.6C16—C15—C18120.6 (3)
C3—C4—C5122.2 (3)N2—C16—C15122.8 (3)
C3—C4—H4118.9N2—C16—H16118.6
C5—C4—H4118.9C15—C16—H16118.6
C6—C5—C4119.2 (3)C10—C17—H17A109.5
C6—C5—H5120.4C10—C17—H17B109.5
C4—C5—H5120.4H17A—C17—H17B109.5
C5—C6—C1118.5 (3)C10—C17—H17C109.5
C5—C6—C12129.1 (3)H17A—C17—H17C109.5
C1—C6—C12112.4 (2)H17B—C17—H17C109.5
N1—C7—C8120.0 (3)C15—C18—H18A109.5
N1—C7—C2113.6 (2)C15—C18—H18B109.5
C8—C7—C2126.4 (3)H18A—C18—H18B109.5
C9—C8—C7119.6 (3)C15—C18—H18C109.5
C9—C8—H8120.2H18A—C18—H18C109.5
C7—C8—H8120.2H18B—C18—H18C109.5
C1—Pt1—N1—C11178.0 (2)C11—N1—C7—C2176.7 (3)
N2—Pt1—N1—C11179.2 (3)Pt1—N1—C7—C24.7 (3)
Cl1—Pt1—N1—C113.9 (2)C1—C2—C7—N13.5 (4)
C1—Pt1—N1—C73.53 (19)C3—C2—C7—N1175.9 (3)
N2—Pt1—N1—C72.3 (4)C1—C2—C7—C8176.0 (3)
Cl1—Pt1—N1—C7174.58 (18)C3—C2—C7—C84.6 (5)
C1—Pt1—N2—C16180.0 (3)N1—C7—C8—C92.4 (4)
N1—Pt1—N2—C16178.7 (3)C2—C7—C8—C9178.1 (3)
Cl1—Pt1—N2—C161.9 (2)C7—C8—C9—C101.1 (5)
C1—Pt1—N2—C121.0 (2)C8—C9—C10—C113.1 (4)
N1—Pt1—N2—C120.2 (4)C8—C9—C10—C17176.1 (3)
Cl1—Pt1—N2—C12177.10 (18)C7—N1—C11—C101.7 (4)
N1—Pt1—C1—C6179.5 (2)Pt1—N1—C11—C10176.7 (2)
N2—Pt1—C1—C60.1 (2)C9—C10—C11—N11.7 (4)
N1—Pt1—C1—C21.6 (2)C17—C10—C11—N1177.4 (3)
N2—Pt1—C1—C2178.0 (2)C16—N2—C12—C130.8 (4)
C6—C1—C2—C33.2 (4)Pt1—N2—C12—C13178.3 (2)
Pt1—C1—C2—C3178.9 (2)C16—N2—C12—C6179.3 (2)
C6—C1—C2—C7177.3 (3)Pt1—N2—C12—C61.6 (3)
Pt1—C1—C2—C70.5 (3)C5—C6—C12—N2178.6 (3)
C1—C2—C3—C41.5 (5)C1—C6—C12—N21.5 (4)
C7—C2—C3—C4179.2 (3)C5—C6—C12—C131.5 (5)
C2—C3—C4—C50.6 (5)C1—C6—C12—C13178.3 (3)
C3—C4—C5—C61.1 (5)N2—C12—C13—C141.3 (4)
C4—C5—C6—C10.6 (5)C6—C12—C13—C14178.8 (3)
C4—C5—C6—C12179.3 (3)C12—C13—C14—C150.4 (5)
C2—C1—C6—C52.7 (4)C13—C14—C15—C161.0 (5)
Pt1—C1—C6—C5179.4 (2)C13—C14—C15—C18178.7 (3)
C2—C1—C6—C12177.1 (3)C12—N2—C16—C150.7 (4)
Pt1—C1—C6—C120.8 (3)Pt1—N2—C16—C15179.6 (2)
C11—N1—C7—C83.8 (4)C14—C15—C16—N21.6 (5)
Pt1—N1—C7—C8174.8 (2)C18—C15—C16—N2178.1 (3)

Experimental details

Crystal data
Chemical formula[PtCl(C18H15N2)]
Mr489.86
Crystal system, space groupMonoclinic, P21/n
Temperature (K)200
a, b, c (Å)9.657 (4), 12.969 (5), 12.962 (6)
β (°) 107.092 (17)
V3)1551.7 (11)
Z4
Radiation typeMo Kα
µ (mm1)9.21
Crystal size (mm)0.20 × 0.15 × 0.12
Data collection
DiffractometerRigaku R-AXIS RAPID
diffractometer
Absorption correctionNumerical
(SHAPE; Higashi, 1999)
Tmin, Tmax0.260, 0.459
No. of measured, independent and
observed [I > 2σ(I)] reflections
14606, 3524, 3301
Rint0.028
(sin θ/λ)max1)0.648
Refinement
R[F2 > 2σ(F2)], wR(F2), S 0.018, 0.039, 1.07
No. of reflections3524
No. of parameters203
H-atom treatmentH-atom parameters constrained
Δρmax, Δρmin (e Å3)0.92, 0.71

Computer programs: PROCESS-AUTO (Rigaku, 1998), CrystalStructure (Rigaku, 2005), SIR92 (Altomare et al., 1994), SHELXL97 (Sheldrick, 1997), ORTEP-3 for Windows (Farrugia, 1997).

Selected geometric parameters (Å, º) top
Pt1—C11.915 (3)Pt1—N22.041 (2)
Pt1—N12.027 (2)Pt1—Cl12.4091 (10)
C1—Pt1—N180.87 (11)C11—N1—Pt1126.45 (19)
C1—Pt1—N280.61 (11)C7—N1—Pt1114.43 (18)
N1—Pt1—N2161.47 (9)C16—N2—Pt1126.13 (19)
C1—Pt1—Cl1177.56 (9)C12—N2—Pt1114.19 (18)
N1—Pt1—Cl197.56 (7)C6—C1—Pt1118.8 (2)
N2—Pt1—Cl1100.94 (7)C2—C1—Pt1118.5 (2)
 

Subscribe to Acta Crystallographica Section C: Structural Chemistry

The full text of this article is available to subscribers to the journal.

If you have already registered and are using a computer listed in your registration details, please email support@iucr.org for assistance.

Buy online

You may purchase this article in PDF and/or HTML formats. For purchasers in the European Community who do not have a VAT number, VAT will be added at the local rate. Payments to the IUCr are handled by WorldPay, who will accept payment by credit card in several currencies. To purchase the article, please complete the form below (fields marked * are required), and then click on `Continue'.
E-mail address* 
Repeat e-mail address* 
(for error checking) 

Format*   PDF (US $40)
   HTML (US $40)
   PDF+HTML (US $50)
In order for VAT to be shown for your country javascript needs to be enabled.

VAT number 
(non-UK EC countries only) 
Country* 
 

Terms and conditions of use
Contact us

Follow Acta Cryst. C
Sign up for e-alerts
Follow Acta Cryst. on Twitter
Follow us on facebook
Sign up for RSS feeds