Download citation
Download citation
link to html
The space group of the title compound, [Zn(C10H8N2)2(H2O)2](C6H2N3O7)2·2H2O, reported as Cc [Liang et al. (2001). Chin. J. Inorg. Chem. 17, 699-703], is revised to C2/c. In the revised description, the Zn atom lies on a special position of 2 symmetry (Wyckoff 2e); one 4,4'-bi­pyridine entity also lies on a twofold axis that passes through the two N atoms, whereas the other 4,4'-bi­pyridine entity lies on an inversion center (Wyckoff 4a) that lies midway between the 4- and 4'-C atoms.

Supporting information

cif

Crystallographic Information File (CIF) https://doi.org/10.1107/S1600536803012674/tk6114sup1.cif
Contains datablocks I, global

hkl

Structure factor file (CIF format) https://doi.org/10.1107/S1600536803012674/tk6114Isup2.hkl
Contains datablock I

CCDC reference: 196405

Key indicators

  • Single-crystal X-ray study
  • T = 298 K
  • Mean [sigma](C-C) = 0.007 Å
  • R factor = 0.057
  • wR factor = 0.152
  • Data-to-parameter ratio = 13.2

checkCIF results

No syntax errors found

ADDSYM reports no extra symmetry


Yellow Alert Alert Level C:
PLAT_710 Alert C Delete 1-2-3 or 2-3-4 (CIF) Linear Torsion Angle # 13 N3 -ZN1 -N3 -C7 -28.10 0.40 6.656 1.555 1.555 1.555 PLAT_710 Alert C Delete 1-2-3 or 2-3-4 (CIF) Linear Torsion Angle # 18 N3 -ZN1 -N3 -C11 156.10 0.40 6.656 1.555 1.555 1.555 PLAT_731 Alert C Bond Calc 0.85(3), Rep 0.850(10) ...... 3.00 su-Rat O1W -H1W2 1.555 1.555 PLAT_731 Alert C Bond Calc 0.86(3), Rep 0.850(10) ...... 3.00 su-Rat O2W -H2W1 1.555 1.555 PLAT_731 Alert C Bond Calc 0.85(4), Rep 0.850(10) ...... 4.00 su-Rat O2W -H2W2 1.555 1.555 PLAT_735 Alert C D-H Calc 0.84(3), Rep 0.850(10) ...... 3.00 su-Rat O1W -H1W1 1.555 1.555 PLAT_735 Alert C D-H Calc 0.85(3), Rep 0.850(10) ...... 3.00 su-Rat O1W -H1W2 1.555 1.555 PLAT_735 Alert C D-H Calc 0.86(3), Rep 0.850(10) ...... 3.00 su-Rat O2W -H2W1 1.555 1.555 PLAT_735 Alert C D-H Calc 0.85(4), Rep 0.850(10) ...... 4.00 su-Rat O2W -H2W2 1.555 1.555 PLAT_736 Alert C H...A Calc 1.90(3), Rep 1.890(10) ...... 3.00 su-Rat H1W1 -O2W 1.555 1.555
0 Alert Level A = Potentially serious problem
0 Alert Level B = Potential problem
10 Alert Level C = Please check

Comment top

The reaction of zinc dipicrate octahydrate with 4,4'-bipyridine gives bis(4,4'-bipyridine)diaquazinc dipicrate (Liang et al., 2000) as a dihydrate (Liang et al., 2001b), (I), as well as a monohydrated co-crystal with 4,4'-bipyridine (Liang et al., 2001a). The crystal structures of both were refined in the Cc space group; that of the dihydrate was refined to 0.087 for 2584 I > σ(I) reflections. However, the published packing diagram shows a centric arrangement of the contents. In the revised C2/c setting, the structure refined to 0.057, but some retraints had to be imposed to the model (Fig. 1). In the revised description, the Zn atom lies on a twofold axis as does one of the two 4,4-bipyridine units. This axis passes through the two N atoms. The other spacer unit lies on an inversion center that is mid-way between the 4- and 4'-carbon atoms. Arising from the revision, the 4,4'-bipyridine–zinc layer motif is better regarded as an almost perfect square. One side is the b-axial distance whereas the other is half the c axis, as seen from the axial ratio (11.418 Å/22.908 Å) that is nearly 1/2.

Experimental top

The reaction of zinc dipicrate octahydrate with 4,4'-bipyridine gives bis(4,4'-bipyridine)diaquazinc dipicrate (Liang et al., 2000) as a dihydrate (Liang et al., 2001b) as well as a monohydrated co-crystal with 4,4'-bipyridine (Liang et al., 2001a).

Refinement top

The aromatic H atoms were generated geometrically (C—H = 0.93 Å) in a riding-model approximation, and were assigned displacement parameters 1.2 times those of their parent C atoms. The water H atoms were located and refined, subject to O—H = 0.85±0.01 Å and H···H = 1.39±0.01 Å; the displacement parameters were similarly assigned. The aromatic ring of the anion was refined as a rigid hexagon (C—C = 1.39 Å); the three C—N distances were restrained to be approximately equal within ±0.01 Å as were the six N—O distances.

Computing details top

Data collection: CAD-4 Software (Enraf-Nonius, 1988); cell refinement: CAD-4 Software; data reduction: XCAD4 (Harms, 1997); program(s) used to solve structure: SHELXS97 (Sheldrick, 1997); program(s) used to refine structure: SHELXL97 (Sheldrick, 1997); molecular graphics: ORTEPII (Johnson, 1976); software used to prepare material for publication: SHELXL97.

Figures top
[Figure 1] Fig. 1. ORTEPII (Johnson, 1976) plot of a portion of the crystal structure of (I), with ellipsoids drawn at the 50% probability level.
Diaquabis(4,4'-bipyridine)zinc bis(2,4,6-trinitrophenolate) dihydrate top
Crystal data top
[Zn(C10H8N2)2(H2O)2](C6H2N3O7)2·2H2OF(000) = 1856
Mr = 906.01Dx = 1.605 Mg m3
Monoclinic, C2/cMo Kα radiation, λ = 0.71073 Å
a = 14.391 (2) ÅCell parameters from 25 reflections
b = 11.418 (1) Åθ = 15.4–15.9°
c = 22.908 (3) ŵ = 0.75 mm1
β = 95.08 (1)°T = 298 K
V = 3749.4 (8) Å3Block, yellow
Z = 40.18 × 0.15 × 0.12 mm
Data collection top
Enraf-Nonius CAD-4
diffractometer
2020 reflections with I > 2σ(I)
Radiation source: fine-focus sealed tubeRint = 0.021
Graphite monochromatorθmax = 26.0°, θmin = 1.8°
ω scansh = 170
Absorption correction: empirical
VIA ψ scan (North et al., 1968)
k = 140
Tmin = 0.874, Tmax = 0.914l = 2828
3829 measured reflections2 standard reflections every 60 min
3679 independent reflections intensity decay: none
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)] = 0.057Hydrogen site location: inferred from neighbouring sites
wR(F2) = 0.152H atoms treated by a mixture of independent and constrained refinement
S = 1.01 w = 1/[σ2(Fo2) + (0.0526P)2 + 9.5165P]
where P = (Fo2 + 2Fc2)/3
3679 reflections(Δ/σ)max = 0.001
278 parametersΔρmax = 0.61 e Å3
24 restraintsΔρmin = 0.60 e Å3
Crystal data top
[Zn(C10H8N2)2(H2O)2](C6H2N3O7)2·2H2OV = 3749.4 (8) Å3
Mr = 906.01Z = 4
Monoclinic, C2/cMo Kα radiation
a = 14.391 (2) ŵ = 0.75 mm1
b = 11.418 (1) ÅT = 298 K
c = 22.908 (3) Å0.18 × 0.15 × 0.12 mm
β = 95.08 (1)°
Data collection top
Enraf-Nonius CAD-4
diffractometer
2020 reflections with I > 2σ(I)
Absorption correction: empirical
VIA ψ scan (North et al., 1968)
Rint = 0.021
Tmin = 0.874, Tmax = 0.9142 standard reflections every 60 min
3829 measured reflections intensity decay: none
3679 independent reflections
Refinement top
R[F2 > 2σ(F2)] = 0.05724 restraints
wR(F2) = 0.152H atoms treated by a mixture of independent and constrained refinement
S = 1.01Δρmax = 0.61 e Å3
3679 reflectionsΔρmin = 0.60 e Å3
278 parameters
Fractional atomic coordinates and isotropic or equivalent isotropic displacement parameters (Å2) top
xyzUiso*/Ueq
Zn10.50000.49511 (8)0.25000.0309 (2)
O10.2599 (3)0.4267 (4)0.1471 (2)0.068 (1)
O20.2301 (5)0.6563 (5)0.1555 (2)0.113 (2)
O30.2327 (5)0.7448 (5)0.0736 (3)0.113 (2)
O40.0503 (5)0.5755 (7)0.0891 (2)0.120 (3)
O50.0286 (4)0.3882 (7)0.0935 (2)0.122 (3)
O60.1809 (4)0.1412 (5)0.0504 (3)0.109 (2)
O70.2297 (7)0.2052 (6)0.1321 (3)0.178 (4)
O1w0.3524 (2)0.4994 (4)0.2481 (1)0.041 (1)
O2w0.2530 (4)0.4529 (4)0.3416 (1)0.069 (1)
N10.50000.6852 (5)0.25000.036 (2)
N20.50001.3048 (5)0.25000.031 (1)
N30.5084 (3)0.4938 (4)0.3458 (1)0.035 (1)
N40.2217 (4)0.6580 (5)0.1025 (2)0.073 (2)
N50.0620 (4)0.4765 (7)0.0697 (2)0.095 (3)
N60.1970 (5)0.2217 (5)0.0832 (3)0.078 (2)
C10.5733 (4)0.7474 (4)0.2359 (2)0.044 (1)
C20.5758 (4)0.8676 (5)0.2356 (2)0.044 (1)
C30.50000.9309 (6)0.25000.035 (2)
C40.50001.0593 (7)0.25000.038 (2)
C50.5786 (4)1.1226 (4)0.2704 (2)0.044 (1)
C60.5750 (4)1.2431 (4)0.2700 (2)0.039 (1)
C70.4739 (4)0.4060 (5)0.3745 (2)0.046 (1)
C80.4699 (4)0.4055 (5)0.4343 (2)0.045 (1)
C90.5036 (3)0.4981 (5)0.4679 (2)0.035 (1)
C100.5424 (4)0.5872 (5)0.4379 (2)0.056 (2)
C110.5426 (4)0.5826 (5)0.3781 (2)0.051 (2)
C120.2131 (3)0.4392 (4)0.0960 (1)0.053 (2)
C130.1966 (3)0.5501 (3)0.0723 (2)0.059 (2)
C140.1482 (3)0.5625 (3)0.0174 (2)0.063 (2)
C150.1163 (2)0.4639 (4)0.0138 (1)0.062 (2)
C160.1327 (3)0.3530 (3)0.0099 (2)0.061 (2)
C170.1811 (3)0.3406 (3)0.0648 (2)0.050 (2)
H1w10.321 (3)0.476 (4)0.275 (1)0.049*
H1w20.322 (3)0.487 (5)0.215 (1)0.049*
H2w10.253 (5)0.383 (2)0.355 (2)0.083*
H2w20.263 (5)0.500 (3)0.370 (2)0.083*
H10.62550.70700.22560.052*
H20.62900.90620.22560.053*
H50.63311.08400.28420.053*
H60.62791.28400.28450.047*
H70.45120.34120.35320.055*
H80.44400.34160.45220.054*
H100.56880.65120.45830.067*
H110.56830.64540.35920.062*
H140.13730.63670.00160.076*
H160.11130.28700.01100.073*
Atomic displacement parameters (Å2) top
U11U22U33U12U13U23
Zn10.0414 (5)0.0269 (4)0.0241 (4)0.0000.0007 (3)0.000
O10.074 (3)0.066 (3)0.059 (3)0.004 (3)0.015 (2)0.002 (2)
O20.176 (6)0.083 (4)0.076 (4)0.018 (4)0.022 (4)0.034 (3)
O30.160 (6)0.057 (3)0.124 (5)0.006 (4)0.019 (4)0.005 (4)
O40.100 (5)0.198 (8)0.059 (4)0.038 (5)0.005 (3)0.032 (4)
O50.097 (5)0.207 (8)0.057 (4)0.010 (5)0.018 (3)0.034 (4)
O60.114 (5)0.075 (4)0.137 (5)0.022 (4)0.010 (4)0.022 (4)
O70.30 (1)0.076 (5)0.142 (6)0.002 (6)0.088 (7)0.021 (5)
O1w0.042 (2)0.045 (2)0.036 (2)0.006 (2)0.001 (1)0.001 (2)
O2w0.071 (3)0.072 (3)0.064 (3)0.006 (3)0.010 (3)0.013 (2)
N10.047 (4)0.027 (3)0.036 (4)0.0000.008 (3)0.000
N20.042 (4)0.029 (3)0.022 (3)0.0000.004 (3)0.000
N30.039 (2)0.039 (2)0.025 (2)0.004 (3)0.000 (2)0.001 (2)
N40.080 (4)0.063 (4)0.074 (4)0.017 (4)0.002 (3)0.015 (4)
N50.065 (4)0.172 (9)0.046 (4)0.021 (5)0.002 (3)0.002 (5)
N60.079 (5)0.066 (4)0.088 (5)0.002 (4)0.006 (4)0.004 (4)
C10.049 (4)0.027 (3)0.057 (4)0.008 (3)0.019 (3)0.001 (3)
C20.038 (3)0.031 (3)0.063 (4)0.002 (3)0.010 (3)0.003 (3)
C30.044 (5)0.029 (4)0.030 (4)0.0000.005 (4)0.000
C40.051 (6)0.026 (4)0.038 (5)0.0000.006 (4)0.000
C50.048 (4)0.029 (3)0.054 (3)0.003 (3)0.009 (3)0.003 (3)
C60.042 (3)0.030 (3)0.043 (3)0.000 (2)0.009 (2)0.002 (2)
C70.075 (4)0.038 (3)0.024 (3)0.007 (3)0.001 (3)0.002 (2)
C80.066 (4)0.039 (3)0.030 (3)0.015 (3)0.004 (3)0.001 (2)
C90.037 (3)0.043 (3)0.025 (2)0.002 (3)0.004 (2)0.002 (3)
C100.077 (5)0.062 (4)0.028 (3)0.037 (4)0.004 (3)0.011 (3)
C110.072 (4)0.053 (4)0.029 (3)0.027 (3)0.007 (3)0.001 (3)
C120.038 (3)0.065 (4)0.054 (4)0.001 (3)0.004 (3)0.001 (3)
C130.058 (4)0.057 (4)0.061 (4)0.006 (3)0.001 (3)0.009 (3)
C140.054 (4)0.071 (5)0.066 (4)0.017 (4)0.017 (3)0.009 (4)
C150.041 (3)0.103 (6)0.042 (3)0.015 (4)0.002 (3)0.006 (3)
C160.044 (4)0.089 (5)0.051 (4)0.001 (4)0.006 (3)0.017 (4)
C170.041 (3)0.056 (4)0.054 (4)0.007 (3)0.007 (3)0.006 (3)
Geometric parameters (Å, º) top
Zn1—O1w2.122 (3)C4—C5i1.388 (6)
Zn1—O1wi2.122 (3)C5—C61.378 (7)
Zn1—N12.170 (6)C7—C81.377 (6)
Zn1—N2ii2.173 (6)C8—C91.370 (7)
Zn1—N32.187 (3)C9—C101.374 (7)
Zn1—N3i2.187 (3)C9—C9iii1.486 (8)
O1—C121.306 (5)C10—C111.370 (7)
O2—N41.210 (5)C12—C131.39
O3—N41.209 (5)C12—C171.39
O4—N51.220 (6)C13—C141.39
O5—N51.224 (6)C14—C151.39
O6—N61.197 (5)C15—C161.39
O7—N61.190 (6)C16—C171.39
N1—C1i1.335 (6)O1w—H1w10.85 (1)
N1—C11.335 (6)O1w—H1w20.85 (1)
N2—C6i1.334 (6)O2w—H2w10.85 (1)
N2—C61.334 (6)O2w—H2w20.85 (1)
N3—C71.320 (6)C1—H10.93
N3—C111.325 (6)C2—H20.93
N4—C131.443 (5)C5—H50.93
N5—C151.447 (5)C6—H60.93
N6—C171.434 (6)C7—H70.93
C1—C21.373 (7)C8—H80.93
C2—C31.373 (6)C10—H100.93
C3—C2i1.373 (6)C11—H110.93
C3—C41.466 (9)C14—H140.93
C4—C51.388 (6)C16—H160.93
O1w—Zn1—O1wi177.4 (2)C9—C8—C7120.7 (5)
O1w—Zn1—N188.7 (1)C8—C9—C10115.5 (4)
O1wi—Zn1—N188.7 (1)C8—C9—C9iii121.7 (6)
O1w—Zn1—N2ii91.3 (1)C10—C9—C9iii122.7 (6)
O1wi—Zn1—N2ii91.3 (1)C11—C10—C9120.5 (5)
N1—Zn1—N2ii180.0 (1)N3—C11—C10123.7 (5)
O1w—Zn1—N389.3 (1)O1—C12—C13120.4 (4)
O1wi—Zn1—N390.7 (1)O1—C12—C17119.6 (4)
N1—Zn1—N390.4 (1)C13—C12—C17120
N2ii—Zn1—N389.6 (1)C12—C13—C14120
O1w—Zn1—N3i90.7 (1)C12—C13—N4124.4 (4)
O1wi—Zn1—N3i89.3 (1)C14—C13—N4115.5 (4)
N1—Zn1—N3i90.4 (1)C13—C14—C15120
N2ii—Zn1—N3i89.6 (1)C16—C15—C14120
N3—Zn1—N3i179.2 (3)C16—C15—N5119.7 (4)
C1i—N1—C1115.7 (6)C14—C15—N5120.2 (4)
C1i—N1—Zn1122.2 (3)C15—C16—C17120
C1—N1—Zn1122.2 (3)C16—C17—C12120
C6i—N2—C6116.4 (6)C16—C17—N6114.7 (4)
C6i—N2—Zn1iv121.8 (3)C12—C17—N6125.3 (4)
C6—N2—Zn1iv121.8 (3)Zn1—O1w—H1w1125 (3)
C7—N3—C11116.1 (4)Zn1—O1w—H1w2117 (3)
C7—N3—Zn1121.0 (3)H1w1—O1w—H1w2109 (2)
C11—N3—Zn1122.8 (3)H2w1—O2w—H2w2109 (2)
O3—N4—O2123.7 (6)N1—C1—H1118.1
O3—N4—C13118.5 (6)C2—C1—H1118.1
O2—N4—C13117.7 (6)C1—C2—H2119.9
O4—N5—O5124.4 (7)C3—C2—H2119.9
O4—N5—C15117.4 (6)C6—C5—H5120.4
O5—N5—C15118.1 (6)C4—C5—H5120.4
O7—N6—O6120.4 (7)N2—C6—H6118.0
O7—N6—C17117.9 (6)C5—C6—H6118.0
O6—N6—C17121.7 (6)N3—C7—H7118.3
N1—C1—C2123.7 (5)C8—C7—H7118.3
C1—C2—C3120.2 (6)C9—C8—H8119.6
C2i—C3—C2116.5 (7)C7—C8—H8119.6
C2i—C3—C4121.8 (3)C11—C10—H10119.7
C2—C3—C4121.8 (3)C9—C10—H10119.7
C5—C4—C5i117.2 (7)N3—C11—H11118.2
C5—C4—C3121.4 (3)C10—C11—H11118.2
C5i—C4—C3121.4 (3)C13—C14—H14120.0
C6—C5—C4119.3 (6)C15—C14—H14120.0
N2—C6—C5123.9 (5)C15—C16—H16120.0
N3—C7—C8123.4 (5)C17—C16—H16120.0
O1w—Zn1—N1—C1i17.8 (3)C11—N3—C7—C82.1 (9)
O1wi—Zn1—N1—C1i162.2 (3)Zn1—N3—C7—C8174.0 (4)
N3—Zn1—N1—C1i71.5 (3)N3—C7—C8—C90.9 (9)
N3i—Zn1—N1—C1i108.5 (3)C7—C8—C9—C101.4 (8)
O1w—Zn1—N1—C1162.2 (3)C7—C8—C9—C9iii177.4 (6)
O1wi—Zn1—N1—C117.8 (3)C8—C9—C10—C112.5 (9)
N3—Zn1—N1—C1108.5 (3)C9iii—C9—C10—C11176.3 (6)
N3i—Zn1—N1—C171.5 (3)C7—N3—C11—C100.9 (9)
O1w—Zn1—N3—C763.3 (4)Zn1—N3—C11—C10175.1 (5)
O1wi—Zn1—N3—C7119.4 (4)C9—C10—C11—N32 (1)
N1—Zn1—N3—C7151.9 (4)O1—C12—C13—C14178.8 (4)
N2ii—Zn1—N3—C728.1 (4)O1—C12—C13—N45.2 (5)
N3i—Zn1—N3—C728.1 (4)C17—C12—C13—N4176.0 (5)
O1w—Zn1—N3—C11112.6 (4)O3—N4—C13—C12156.3 (6)
O1wi—Zn1—N3—C1164.8 (4)O2—N4—C13—C1223.9 (8)
N1—Zn1—N3—C1123.9 (4)O3—N4—C13—C1427.5 (8)
N2ii—Zn1—N3—C11156.1 (4)O2—N4—C13—C14152.3 (5)
N3i—Zn1—N3—C11156.1 (4)N4—C13—C14—C15176.4 (4)
C1i—N1—C1—C20.2 (4)C13—C14—C15—N5177.1 (4)
Zn1—N1—C1—C2179.8 (4)O4—N5—C15—C16179.2 (6)
N1—C1—C2—C30.4 (9)O5—N5—C15—C163.1 (8)
C1—C2—C3—C2i0.2 (4)O4—N5—C15—C143.8 (8)
C1—C2—C3—C4179.8 (4)O5—N5—C15—C14174.0 (6)
C2i—C3—C4—C5140.5 (4)N5—C15—C16—C17177.1 (4)
C2—C3—C4—C539.5 (4)C15—C16—C17—N6177.4 (4)
C2i—C3—C4—C5i39.5 (4)O1—C12—C17—C16178.8 (4)
C2—C3—C4—C5i140.5 (4)O1—C12—C17—N61.7 (5)
C5i—C4—C5—C60.5 (4)C13—C12—C17—N6177.1 (5)
C3—C4—C5—C6179.5 (4)O7—N6—C17—C16172.6 (7)
C6i—N2—C6—C50.6 (4)O6—N6—C17—C169.7 (8)
Zn1iv—N2—C6—C5179.4 (4)O7—N6—C17—C1210 (1)
C4—C5—C6—N21.2 (8)O6—N6—C17—C12167.6 (6)
Symmetry codes: (i) x+1, y, z+1/2; (ii) x, y1, z; (iii) x+1, y+1, z+1; (iv) x, y+1, z.
Hydrogen-bond geometry (Å, º) top
D—H···AD—HH···AD···AD—H···A
O1w—H1w1···O2w0.85 (1)1.89 (1)2.731 (5)169 (5)
O1w—H1w2···O10.85 (1)1.86 (2)2.695 (5)168 (6)
O2w—H2w1···O3v0.85 (1)2.27 (3)3.064 (7)155 (5)
O2w—H2w2···O7vi0.85 (1)2.34 (4)2.949 (8)128 (4)
Symmetry codes: (v) x+1/2, y1/2, z+1/2; (vi) x+1/2, y+1/2, z+1/2.

Experimental details

Crystal data
Chemical formula[Zn(C10H8N2)2(H2O)2](C6H2N3O7)2·2H2O
Mr906.01
Crystal system, space groupMonoclinic, C2/c
Temperature (K)298
a, b, c (Å)14.391 (2), 11.418 (1), 22.908 (3)
β (°) 95.08 (1)
V3)3749.4 (8)
Z4
Radiation typeMo Kα
µ (mm1)0.75
Crystal size (mm)0.18 × 0.15 × 0.12
Data collection
DiffractometerEnraf-Nonius CAD-4
diffractometer
Absorption correctionEmpirical
VIA ψ scan (North et al., 1968)
Tmin, Tmax0.874, 0.914
No. of measured, independent and
observed [I > 2σ(I)] reflections
3829, 3679, 2020
Rint0.021
(sin θ/λ)max1)0.617
Refinement
R[F2 > 2σ(F2)], wR(F2), S 0.057, 0.152, 1.01
No. of reflections3679
No. of parameters278
No. of restraints24
H-atom treatmentH atoms treated by a mixture of independent and constrained refinement
Δρmax, Δρmin (e Å3)0.61, 0.60

Computer programs: CAD-4 Software (Enraf-Nonius, 1988), CAD-4 Software, XCAD4 (Harms, 1997), SHELXS97 (Sheldrick, 1997), SHELXL97 (Sheldrick, 1997), ORTEPII (Johnson, 1976), SHELXL97.

 

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