Bis[5,6-diphenyl-3-(2-pyrid­yl)-1,2,4-triazine-κ2N,N′]bis­(nitrato-κO)cadmium(II)

Eltayeb, N.E.; Teoh, S.G.; Teh, J.B.-J.; Fun, H.-K.; Yamin, B.M.; Ibrahim, K.

doi:10.1107/S160053680604757X

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Bis[5,6-diphenyl-3-(2-pyridyl)-1,2,4-triazine-κ²N,N′]bis(nitrato-κO)cadmium(II)

N. E. Eltayeb, S. G. Teoh, J. B.-J. Teh, H.-K. Fun, B. M. Yamin and K. Ibrahim

In the centrosymmetric title compound, [Cd(NO₃)₂(C₂₀H₁₄N₄)₂], the dihedral angle between the phenyl rings attached to one heterocycle is 54.13 (5)°. The crystal structure is stabilized by O

C, C—H

O, C—H

π and π–π interactions.

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Supporting information

	Crystallographic Information File (CIF) https://doi.org/10.1107/S160053680604757X/ng2148sup1.cif Contains datablocks global, I
	Structure factor file (CIF format) https://doi.org/10.1107/S160053680604757X/ng2148Isup2.hkl Contains datablock I

CCDC reference: 630185

checkCIF report

Key indicators

Single-crystal X-ray study
T = 100 K
Mean (C-C) = 0.001 Å
R factor = 0.028
wR factor = 0.082
Data-to-parameter ratio = 43.0

checkCIF/PLATON results

No syntax errors found



Alert level C
PLAT432_ALERT_2_C Short Inter X...Y Contact  O3     ..  C7      ..       2.94 Ang.

   0 ALERT level A = In general: serious problem
   0 ALERT level B = Potentially serious problem
   1 ALERT level C = Check and explain
   0 ALERT level G = General alerts; check

   0 ALERT type 1 CIF construction/syntax error, inconsistent or missing data
   1 ALERT type 2 Indicator that the structure model may be wrong or deficient
   0 ALERT type 3 Indicator that the structure quality may be low
   0 ALERT type 4 Improvement, methodology, query or suggestion
   0 ALERT type 5 Informative message, check


checkCIF publication errors

Alert level A
PUBL024_ALERT_1_A The number of authors is greater than 5.
              Please specify the role of each of the co-authors
              for your paper.

Author Response: S. G. Teoh, Eltayeb N. E., Yamin, B. M. and Ibrahim, K. is involved in the extraction and synthesis of the title compound and H.K. Fun and Jeannie B.-J. Teh is involved in the structure determination. All parties are involved in writing up the manuscript.

PUBL023_ALERT_1_A There is a mismatched ^ on line 98
              Bis[5,6-diphenyl-3-(2-pyridyl)-1,2,4-triazine-\^2^N,N']bis(nitrato-
              If you require a ^ then it should be escaped
              with a \, i.e. \^
              Otherwise there must be a matching closing ~, e.g. ^12^C
PUBL023_ALERT_1_A There is a mismatched ^ on line 284
              Bis[5,6-diphenyl-3-(2-pyridyl)-1,2,4-triazine-\^2^N,N']bis(nitrato-
              If you require a ^ then it should be escaped
              with a \, i.e. \^
              Otherwise there must be a matching closing ~, e.g. ^12^C

   3 ALERT level A = Data missing that is essential or data in wrong format
   0 ALERT level G = General alerts. Data that may be required is missing

Computing details top

Data collection: APEX2 (Bruker, 2005); cell refinement: APEX2; data reduction: SAINT (Bruker, 2005); program(s) used to solve structure: SHELXTL (Sheldrick, 1998); program(s) used to refine structure: SHELXTL; molecular graphics: SHELXTL; software used to prepare material for publication: SHELXTL and PLATON (Spek, 2003).

Bis[5,6-diphenyl-3-(2-pyridyl)-1,2,4-triazine-κ²N,N']bis(nitrato- κO)cadmium(II) top

Crystal data top

[Cd(NO₃)₂(C₂₀H₁₄N₄)₂]	F(000) = 1736
M_r = 857.12	D_x = 1.585 Mg m⁻³
Monoclinic, C2/c	Mo Kα radiation, λ = 0.71073 Å
Hall symbol: -C 2yc	Cell parameters from 8987 reflections
a = 15.8191 (2) Å	θ = 1.5–40.0°
b = 8.4756 (1) Å	µ = 0.67 mm⁻¹
c = 26.8765 (4) Å	T = 100 K
β = 94.809 (1)°	Slab, yellow
V = 3590.82 (8) Å³	0.31 × 0.26 × 0.12 mm
Z = 4

Data collection top

Bruker SMART APEX-2 CCD diffractometer	11133 independent reflections
Radiation source: fine-focus sealed tube	9320 reflections with I > 2σ(I)
Graphite monochromator	R_int = 0.037
Detector resolution: 8.33 pixels mm^-1	θ_max = 40.0°, θ_min = 1.5°
ω scans	h = −28→28
Absorption correction: multi-scan (SADABS;, Bruker, 2005)	k = −15→15
T_min = 0.817, T_max = 0.923	l = −48→48
81732 measured reflections

Refinement top

Refinement on F²	Primary atom site location: structure-invariant direct methods
Least-squares matrix: full	Secondary atom site location: difference Fourier map
R[F² > 2σ(F²)] = 0.028	Hydrogen site location: inferred from neighbouring sites
wR(F²) = 0.082	H-atom parameters constrained
S = 1.13	w = 1/[σ²(F_o²) + (0.0397P)² + 1.338P] where P = (F_o² + 2F_c²)/3
11133 reflections	(Δ/σ)_max < 0.001
259 parameters	Δρ_max = 0.64 e Å⁻³
0 restraints	Δρ_min = −0.42 e Å⁻³

Special details top

Experimental. IR (KBr, cm-1): v(C—H) 3070, 3040, v(C=N) 1618, v(C=C) 1599, 1574, 1509, vasym(N—O) 1482, vsym(N—O) 1384, v(C—N) 1255.

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

Refinement. Refinement of F² against ALL reflections. The weighted R-factor wR and goodness of fit S are based on F², conventional R-factors R are based on F, with F set to zero for negative F². The threshold expression of F² > σ(F²) is used only for calculating R-factors(gt) etc. and is not relevant to the choice of reflections for refinement. R-factors based on F² are statistically about twice as large as those based on F, and R- factors based on ALL data will be even larger.

Fractional atomic coordinates and isotropic or equivalent isotropic displacement parameters (Å²) top

	x	y	z	U_iso*/U_eq
Cd1	0.7500	0.7500	0.0000	0.01449 (2)
O1	0.76408 (5)	0.58987 (10)	−0.07262 (3)	0.02441 (15)
O2	0.67270 (8)	0.45965 (12)	−0.03390 (4)	0.0410 (3)
O3	0.71299 (6)	0.37000 (10)	−0.10364 (3)	0.02960 (17)
N1	0.88998 (5)	0.69673 (10)	0.02479 (3)	0.01613 (12)
N2	0.75507 (5)	0.56940 (9)	0.06611 (3)	0.01558 (12)
N3	0.68655 (5)	0.51789 (9)	0.08682 (3)	0.01570 (12)
N4	0.84597 (5)	0.47358 (9)	0.13362 (3)	0.01460 (12)
N5	0.71585 (6)	0.47027 (10)	−0.06999 (3)	0.01882 (14)
C1	0.95550 (7)	0.75930 (12)	0.00315 (4)	0.02023 (16)
H1A	0.9444	0.8302	−0.0230	0.024*
C2	1.03951 (7)	0.72230 (14)	0.01828 (4)	0.02235 (18)
H2A	1.0838	0.7685	0.0028	0.027*
C3	1.05562 (6)	0.61529 (13)	0.05681 (4)	0.02171 (17)
H3A	1.1111	0.5866	0.0672	0.026*
C4	0.98805 (6)	0.55119 (12)	0.07981 (4)	0.01825 (15)
H4A	0.9976	0.4795	0.1059	0.022*
C5	0.90602 (5)	0.59605 (10)	0.06317 (3)	0.01458 (13)
C6	0.83173 (5)	0.53964 (10)	0.08836 (3)	0.01360 (12)
C7	0.77827 (5)	0.43203 (10)	0.15679 (3)	0.01366 (12)
C8	0.79673 (6)	0.38213 (10)	0.20942 (3)	0.01473 (13)
C9	0.87096 (6)	0.29700 (12)	0.22245 (4)	0.01770 (14)
H9A	0.9054	0.2658	0.1978	0.021*
C10	0.89352 (7)	0.25880 (11)	0.27213 (4)	0.02017 (17)
H10A	0.9425	0.2006	0.2806	0.024*
C11	0.84296 (6)	0.30752 (12)	0.30922 (4)	0.01976 (16)
H11A	0.8585	0.2831	0.3425	0.024*
C12	0.76910 (7)	0.39279 (11)	0.29657 (4)	0.01925 (16)
H12A	0.7354	0.4256	0.3214	0.023*
C13	0.74570 (6)	0.42891 (11)	0.24682 (4)	0.01783 (15)
H13A	0.6959	0.4845	0.2384	0.021*
C14	0.69577 (5)	0.44572 (10)	0.13103 (3)	0.01351 (12)
C15	0.61602 (5)	0.38663 (10)	0.14924 (3)	0.01416 (13)
C16	0.61406 (6)	0.24508 (10)	0.17580 (4)	0.01593 (13)
H16A	0.6636	0.1871	0.1825	0.019*
C17	0.53840 (6)	0.19065 (12)	0.19223 (4)	0.01912 (15)
H17A	0.5376	0.0963	0.2099	0.023*
C18	0.46375 (7)	0.27655 (12)	0.18246 (4)	0.02036 (17)
H18A	0.4135	0.2413	0.1944	0.024*
C19	0.46461 (6)	0.41559 (12)	0.15479 (4)	0.01882 (15)
H19A	0.4147	0.4720	0.1475	0.023*
C20	0.54029 (6)	0.46996 (11)	0.13809 (3)	0.01655 (14)
H20A	0.5406	0.5623	0.1194	0.020*

Atomic displacement parameters (Å²) top

	U¹¹	U²²	U³³	U¹²	U¹³	U²³
Cd1	0.01369 (4)	0.01887 (4)	0.01091 (4)	0.00173 (3)	0.00108 (2)	0.00215 (2)
O1	0.0225 (3)	0.0228 (3)	0.0281 (4)	−0.0020 (3)	0.0035 (3)	−0.0060 (3)
O2	0.0637 (7)	0.0316 (5)	0.0314 (5)	−0.0088 (4)	0.0256 (5)	−0.0043 (4)
O3	0.0380 (5)	0.0237 (4)	0.0270 (4)	0.0012 (3)	0.0020 (3)	−0.0122 (3)
N1	0.0144 (3)	0.0203 (3)	0.0138 (3)	−0.0003 (2)	0.0016 (2)	−0.0002 (2)
N2	0.0126 (3)	0.0173 (3)	0.0166 (3)	−0.0004 (2)	−0.0007 (2)	0.0031 (2)
N3	0.0134 (3)	0.0173 (3)	0.0162 (3)	−0.0006 (2)	−0.0004 (2)	0.0033 (2)
N4	0.0140 (3)	0.0148 (3)	0.0145 (3)	0.0008 (2)	−0.0013 (2)	0.0005 (2)
N5	0.0210 (3)	0.0183 (3)	0.0167 (3)	0.0037 (3)	−0.0007 (3)	−0.0019 (2)
C1	0.0170 (4)	0.0275 (5)	0.0167 (4)	−0.0024 (3)	0.0042 (3)	0.0001 (3)
C2	0.0150 (4)	0.0322 (5)	0.0203 (4)	−0.0029 (3)	0.0047 (3)	−0.0042 (3)
C3	0.0135 (3)	0.0299 (5)	0.0217 (4)	0.0013 (3)	0.0010 (3)	−0.0054 (3)
C4	0.0135 (3)	0.0222 (4)	0.0186 (4)	0.0028 (3)	−0.0008 (3)	−0.0026 (3)
C5	0.0130 (3)	0.0168 (3)	0.0139 (3)	0.0010 (2)	0.0006 (2)	−0.0022 (2)
C6	0.0129 (3)	0.0140 (3)	0.0136 (3)	0.0005 (2)	−0.0003 (2)	−0.0005 (2)
C7	0.0138 (3)	0.0126 (3)	0.0141 (3)	0.0011 (2)	−0.0014 (2)	0.0000 (2)
C8	0.0146 (3)	0.0144 (3)	0.0145 (3)	−0.0004 (2)	−0.0025 (3)	0.0013 (2)
C9	0.0140 (3)	0.0196 (4)	0.0191 (4)	0.0005 (3)	−0.0006 (3)	0.0054 (3)
C10	0.0152 (3)	0.0238 (4)	0.0206 (4)	−0.0011 (3)	−0.0033 (3)	0.0086 (3)
C11	0.0208 (4)	0.0213 (4)	0.0163 (4)	−0.0055 (3)	−0.0041 (3)	0.0044 (3)
C12	0.0225 (4)	0.0199 (4)	0.0150 (4)	−0.0016 (3)	−0.0005 (3)	−0.0004 (3)
C13	0.0189 (4)	0.0181 (4)	0.0160 (3)	0.0025 (3)	−0.0017 (3)	−0.0010 (3)
C14	0.0127 (3)	0.0132 (3)	0.0142 (3)	0.0008 (2)	−0.0012 (2)	0.0005 (2)
C15	0.0137 (3)	0.0152 (3)	0.0133 (3)	−0.0003 (2)	−0.0007 (2)	−0.0002 (2)
C16	0.0169 (3)	0.0156 (3)	0.0152 (3)	0.0006 (3)	0.0008 (3)	0.0004 (2)
C17	0.0211 (4)	0.0193 (4)	0.0171 (4)	−0.0024 (3)	0.0031 (3)	0.0007 (3)
C18	0.0175 (4)	0.0255 (4)	0.0184 (4)	−0.0037 (3)	0.0037 (3)	−0.0030 (3)
C19	0.0137 (3)	0.0233 (4)	0.0193 (4)	0.0009 (3)	0.0003 (3)	−0.0030 (3)
C20	0.0144 (3)	0.0178 (3)	0.0170 (3)	0.0010 (3)	−0.0015 (3)	−0.0001 (3)

Geometric parameters (Å, º) top

Cd1—N1ⁱ	2.3030 (8)	C7—C14	1.4299 (12)
Cd1—N1	2.3030 (8)	C7—C8	1.4819 (12)
Cd1—N2	2.3415 (8)	C8—C9	1.3974 (13)
Cd1—N2ⁱ	2.3415 (8)	C8—C13	1.3983 (13)
Cd1—O1ⁱ	2.4030 (8)	C9—C10	1.3911 (14)
Cd1—O1	2.4030 (8)	C9—H9A	0.9300
O1—N5	1.2742 (12)	C10—C11	1.3920 (16)
O2—N5	1.2355 (13)	C10—H10A	0.9300
O3—N5	1.2390 (11)	C11—C12	1.3916 (15)
N1—C1	1.3396 (13)	C11—H11A	0.9300
N1—C5	1.3464 (12)	C12—C13	1.3911 (13)
N2—C6	1.3306 (11)	C12—H12A	0.9300
N2—N3	1.3329 (11)	C13—H13A	0.9300
N3—C14	1.3334 (11)	C14—C15	1.4784 (12)
N4—C7	1.3305 (12)	C15—C16	1.3977 (12)
N4—C6	1.3410 (11)	C15—C20	1.4012 (12)
C1—C2	1.3925 (15)	C16—C17	1.3889 (14)
C1—H1A	0.9300	C16—H16A	0.9300
C2—C3	1.3841 (17)	C17—C18	1.3933 (15)
C2—H2A	0.9300	C17—H17A	0.9300
C3—C4	1.3895 (15)	C18—C19	1.3941 (15)
C3—H3A	0.9300	C18—H18A	0.9300
C4—C5	1.3897 (13)	C19—C20	1.3918 (14)
C4—H4A	0.9300	C19—H19A	0.9300
C5—C6	1.4836 (12)	C20—H20A	0.9300

N1ⁱ—Cd1—N1	180.00 (4)	N4—C6—C5	117.99 (7)
N1ⁱ—Cd1—N2	108.58 (3)	N4—C7—C14	119.32 (8)
N1—Cd1—N2	71.42 (3)	N4—C7—C8	114.86 (7)
N1ⁱ—Cd1—N2ⁱ	71.42 (3)	C14—C7—C8	125.75 (8)
N1—Cd1—N2ⁱ	108.58 (3)	C9—C8—C13	119.34 (8)
N2—Cd1—N2ⁱ	180.00 (4)	C9—C8—C7	118.73 (8)
N1ⁱ—Cd1—O1ⁱ	88.39 (3)	C13—C8—C7	121.72 (8)
N1—Cd1—O1ⁱ	91.61 (3)	C10—C9—C8	120.20 (9)
N2—Cd1—O1ⁱ	75.67 (3)	C10—C9—H9A	119.9
N2ⁱ—Cd1—O1ⁱ	104.33 (3)	C8—C9—H9A	119.9
N1ⁱ—Cd1—O1	91.61 (3)	C9—C10—C11	120.12 (9)
N1—Cd1—O1	88.39 (3)	C9—C10—H10A	119.9
N2—Cd1—O1	104.33 (3)	C11—C10—H10A	119.9
N2ⁱ—Cd1—O1	75.67 (3)	C12—C11—C10	120.01 (9)
O1ⁱ—Cd1—O1	180.00 (2)	C12—C11—H11A	120.0
N5—O1—Cd1	107.91 (6)	C10—C11—H11A	120.0
C1—N1—C5	118.72 (8)	C13—C12—C11	119.96 (9)
C1—N1—Cd1	123.85 (7)	C13—C12—H12A	120.0
C5—N1—Cd1	117.43 (6)	C11—C12—H12A	120.0
C6—N2—N3	119.52 (8)	C12—C13—C8	120.36 (9)
C6—N2—Cd1	115.90 (6)	C12—C13—H13A	119.8
N3—N2—Cd1	123.63 (6)	C8—C13—H13A	119.8
N2—N3—C14	119.36 (8)	N3—C14—C7	119.73 (8)
C7—N4—C6	117.03 (7)	N3—C14—C15	114.69 (7)
O2—N5—O3	122.30 (10)	C7—C14—C15	125.58 (8)
O2—N5—O1	118.31 (9)	C16—C15—C20	119.13 (8)
O3—N5—O1	119.38 (9)	C16—C15—C14	121.06 (8)
N1—C1—C2	122.57 (10)	C20—C15—C14	119.76 (8)
N1—C1—H1A	118.7	C17—C16—C15	120.26 (9)
C2—C1—H1A	118.7	C17—C16—H16A	119.9
C3—C2—C1	118.52 (10)	C15—C16—H16A	119.9
C3—C2—H2A	120.7	C16—C17—C18	120.39 (9)
C1—C2—H2A	120.7	C16—C17—H17A	119.8
C2—C3—C4	119.26 (9)	C18—C17—H17A	119.8
C2—C3—H3A	120.4	C17—C18—C19	119.74 (9)
C4—C3—H3A	120.4	C17—C18—H18A	120.1
C3—C4—C5	118.83 (9)	C19—C18—H18A	120.1
C3—C4—H4A	120.6	C20—C19—C18	119.94 (9)
C5—C4—H4A	120.6	C20—C19—H19A	120.0
N1—C5—C4	122.06 (8)	C18—C19—H19A	120.0
N1—C5—C6	116.63 (8)	C19—C20—C15	120.48 (9)
C4—C5—C6	121.26 (8)	C19—C20—H20A	119.8
N2—C6—N4	124.35 (8)	C15—C20—H20A	119.8
N2—C6—C5	117.44 (8)

N1ⁱ—Cd1—O1—N5	−64.98 (7)	C7—N4—C6—N2	1.80 (13)
N1—Cd1—O1—N5	115.02 (7)	C7—N4—C6—C5	176.26 (7)
N2—Cd1—O1—N5	44.66 (7)	N1—C5—C6—N2	11.60 (12)
N2ⁱ—Cd1—O1—N5	−135.34 (7)	C4—C5—C6—N2	−170.72 (8)
N2—Cd1—N1—C1	178.83 (9)	N1—C5—C6—N4	−163.24 (8)
N2ⁱ—Cd1—N1—C1	−1.17 (9)	C4—C5—C6—N4	14.43 (12)
O1ⁱ—Cd1—N1—C1	−106.88 (8)	C6—N4—C7—C14	5.72 (12)
O1—Cd1—N1—C1	73.12 (8)	C6—N4—C7—C8	−171.24 (7)
N2—Cd1—N1—C5	−0.86 (6)	N4—C7—C8—C9	−36.39 (11)
N2ⁱ—Cd1—N1—C5	179.14 (6)	C14—C7—C8—C9	146.87 (9)
O1ⁱ—Cd1—N1—C5	73.43 (7)	N4—C7—C8—C13	138.28 (9)
O1—Cd1—N1—C5	−106.57 (7)	C14—C7—C8—C13	−38.45 (13)
N1ⁱ—Cd1—N2—C6	−172.87 (6)	C13—C8—C9—C10	0.26 (14)
N1—Cd1—N2—C6	7.13 (6)	C7—C8—C9—C10	175.06 (8)
O1ⁱ—Cd1—N2—C6	−89.55 (7)	C8—C9—C10—C11	−1.08 (15)
O1—Cd1—N2—C6	90.45 (7)	C9—C10—C11—C12	0.86 (15)
N1ⁱ—Cd1—N2—N3	−4.11 (8)	C10—C11—C12—C13	0.18 (15)
N1—Cd1—N2—N3	175.89 (8)	C11—C12—C13—C8	−1.00 (15)
O1ⁱ—Cd1—N2—N3	79.20 (7)	C9—C8—C13—C12	0.78 (14)
O1—Cd1—N2—N3	−100.80 (7)	C7—C8—C13—C12	−173.86 (8)
C6—N2—N3—C14	4.05 (13)	N2—N3—C14—C7	3.31 (13)
Cd1—N2—N3—C14	−164.33 (6)	N2—N3—C14—C15	−177.11 (8)
Cd1—O1—N5—O2	1.08 (12)	N4—C7—C14—N3	−8.41 (12)
Cd1—O1—N5—O3	−179.67 (8)	C8—C7—C14—N3	168.20 (8)
C5—N1—C1—C2	1.08 (15)	N4—C7—C14—C15	172.07 (8)
Cd1—N1—C1—C2	−178.61 (8)	C8—C7—C14—C15	−11.32 (13)
N1—C1—C2—C3	0.74 (16)	N3—C14—C15—C16	143.77 (9)
C1—C2—C3—C4	−1.42 (16)	C7—C14—C15—C16	−36.69 (13)
C2—C3—C4—C5	0.34 (15)	N3—C14—C15—C20	−33.61 (12)
C1—N1—C5—C4	−2.24 (14)	C7—C14—C15—C20	145.93 (9)
Cd1—N1—C5—C4	177.47 (7)	C20—C15—C16—C17	−2.01 (13)
C1—N1—C5—C6	175.42 (8)	C14—C15—C16—C17	−179.41 (8)
Cd1—N1—C5—C6	−4.87 (10)	C15—C16—C17—C18	−0.06 (14)
C3—C4—C5—N1	1.54 (14)	C16—C17—C18—C19	1.85 (15)
C3—C4—C5—C6	−176.01 (9)	C17—C18—C19—C20	−1.54 (15)
N3—N2—C6—N4	−7.00 (13)	C18—C19—C20—C15	−0.56 (14)
Cd1—N2—C6—N4	162.25 (7)	C16—C15—C20—C19	2.32 (13)
N3—N2—C6—C5	178.52 (8)	C14—C15—C20—C19	179.76 (8)
Cd1—N2—C6—C5	−12.23 (10)

Symmetry code: (i) −x+3/2, −y+3/2, −z.

Hydrogen-bond geometry (Å, º) top

D—H···A	D—H	H···A	D···A	D—H···A
C2—H2A···O2ⁱⁱ	0.93	2.41	3.309 (2)	162
C3—H3A···O1ⁱⁱⁱ	0.93	2.47	3.337 (1)	155
C13—H13A···Cg^iv	0.93	3.06	3.672 (1)	125
C17—H17A···Cg^v	0.93	3.16	3.852 (1)	132

Symmetry codes: (ii) x+1/2, y+1/2, z; (iii) −x+2, −y+1, −z; (iv) −x+3/2, y+1/2, −z+1/2; (v) −x+3/2, y−1/2, −z+1/2.

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