Buy article online - an online subscription or single-article purchase is required to access this article.
Download citation
Download citation
link to html
The title compound, (H3O)[Cu2Cl(C12H8N2)4][W6O19]·H2O, has been synthesized hydro­thermally. The structure contains a dicopper(I) complex cation comprising two [Cu(phen)2]+ units bridged by a chloride ion lying on a twofold rotation axis, a Lindquist isopolyanion, [W6O19]2−, lying on a centre of inversion, one hydro­nium cation, and one uncoordinated water mol­ecule per formula unit.

Supporting information

cif

Crystallographic Information File (CIF) https://doi.org/10.1107/S160053680603220X/bi2028sup1.cif
Contains datablocks global, I

hkl

Structure factor file (CIF format) https://doi.org/10.1107/S160053680603220X/bi2028Isup2.hkl
Contains datablock I

CCDC reference: 620651

Key indicators

  • Single-crystal X-ray study
  • T = 293 K
  • Mean [sigma](C-C) = 0.018 Å
  • H-atom completeness 87%
  • Disorder in solvent or counterion
  • R factor = 0.041
  • wR factor = 0.123
  • Data-to-parameter ratio = 11.7

checkCIF/PLATON results

No syntax errors found



Alert level B PLAT220_ALERT_2_B Large Non-Solvent O Ueq(max)/Ueq(min) ... 4.13 Ratio PLAT430_ALERT_2_B Short Inter D...A Contact O1 .. O1W' .. 2.84 Ang. PLAT430_ALERT_2_B Short Inter D...A Contact O1W .. O3 .. 2.63 Ang. PLAT430_ALERT_2_B Short Inter D...A Contact O3 .. O1W' .. 2.73 Ang.
Alert level C PLAT041_ALERT_1_C Calc. and Rep. SumFormula Strings Differ .... ? PLAT042_ALERT_1_C Calc. and Rep. MoietyFormula Strings Differ .... ? PLAT068_ALERT_1_C Reported F000 Differs from Calcd (or Missing)... ? PLAT213_ALERT_2_C Atom C7 has ADP max/min Ratio ............. 3.10 prola PLAT213_ALERT_2_C Atom O2 has ADP max/min Ratio ............. 3.10 prola PLAT220_ALERT_2_C Large Non-Solvent C Ueq(max)/Ueq(min) ... 2.93 Ratio PLAT241_ALERT_2_C Check High Ueq as Compared to Neighbors for C11 PLAT241_ALERT_2_C Check High Ueq as Compared to Neighbors for C15 PLAT242_ALERT_2_C Check Low Ueq as Compared to Neighbors for O10 PLAT302_ALERT_4_C Anion/Solvent Disorder ......................... 50.00 Perc. PLAT311_ALERT_2_C Isolated Disordered Oxygen Atom (No H's ?) ..... >O1W PLAT311_ALERT_2_C Isolated Disordered Oxygen Atom (No H's ?) ..... <O1W' PLAT342_ALERT_3_C Low Bond Precision on C-C bonds (x 1000) Ang ... 18 PLAT432_ALERT_2_C Short Inter X...Y Contact C14 .. O1W' .. 2.93 Ang. PLAT716_ALERT_1_C H...A Unknown or Inconsistent Label .......... PLAT716_ALERT_1_C H...A Unknown or Inconsistent Label .......... PLAT716_ALERT_1_C H...A Unknown or Inconsistent Label .......... PLAT716_ALERT_1_C H...A Unknown or Inconsistent Label .......... PLAT716_ALERT_1_C H...A Unknown or Inconsistent Label .......... PLAT716_ALERT_1_C H...A Unknown or Inconsistent Label .......... PLAT716_ALERT_1_C H...A Unknown or Inconsistent Label .......... PLAT720_ALERT_4_C Number of Unusual/Non-Standard Label(s) ........ 1 PLAT764_ALERT_4_C Overcomplete CIF Bond List Detected (Rep/Expd) . 1.13 Ratio
Alert level G FORMU01_ALERT_2_G There is a discrepancy between the atom counts in the _chemical_formula_sum and the formula from the _atom_site* data. Atom count from _chemical_formula_sum:C48 H37 Cl1 Cu2 N8 O21 W6 Atom count from the _atom_site data: C48 H32 Cl1 Cu2 N8 O21 W6 CELLZ01_ALERT_1_G Difference between formula and atom_site contents detected. CELLZ01_ALERT_1_G WARNING: H atoms missing from atom site list. Is this intentional? From the CIF: _cell_formula_units_Z 4 From the CIF: _chemical_formula_sum C48 H37 Cl Cu2 N8 O21 W6 TEST: Compare cell contents of formula and atom_site data atom Z*formula cif sites diff C 192.00 192.00 0.00 H 148.00 128.00 20.00 Cl 4.00 4.00 0.00 Cu 8.00 8.00 0.00 N 32.00 32.00 0.00 O 84.00 84.00 0.00 W 24.00 24.00 0.00 PLAT199_ALERT_1_G Check the Reported _cell_measurement_temperature 293 K PLAT200_ALERT_1_G Check the Reported _diffrn_ambient_temperature . 293 K
0 ALERT level A = In general: serious problem 4 ALERT level B = Potentially serious problem 23 ALERT level C = Check and explain 5 ALERT level G = General alerts; check 14 ALERT type 1 CIF construction/syntax error, inconsistent or missing data 14 ALERT type 2 Indicator that the structure model may be wrong or deficient 1 ALERT type 3 Indicator that the structure quality may be low 3 ALERT type 4 Improvement, methodology, query or suggestion 0 ALERT type 5 Informative message, check

Computing details top

Data collection: RAXIS (Molecular Structure Corporation, 1992); cell refinement: RAXIS; data reduction: TEXSAN (Molecular Structure Corporation, 1995); program(s) used to solve structure: SHELXS97 (Sheldrick, 1997); program(s) used to refine structure: SHELXL97 (Sheldrick, 1997); molecular graphics: TEXSAN; software used to prepare material for publication: TEXSAN.

hydronium µ-chloro-bis[bis(1,10-phenanthroline)copper(I)] hexatungstate monohydrate top
Crystal data top
(H3O)[Cu2Cl(C12H8N2)4][W6O19]·H2OF(000) = 4268
Mr = 2327.48Dx = 2.914 Mg m3
Monoclinic, C2/cMo Kα radiation, λ = 0.71073 Å
Hall symbol: -C 2ycCell parameters from 250 reflections
a = 26.135 (2) Åθ = 2.5–25°
b = 16.2883 (14) ŵ = 13.88 mm1
c = 14.1273 (13) ÅT = 293 K
β = 118.138 (1)°Block, green
V = 5303.2 (8) Å30.11 × 0.11 × 0.09 mm
Z = 4
Data collection top
Rigaku R-AXIS IV
diffractometer
4659 independent reflections
Radiation source: fine-focus sealed tube3729 reflections with I > 2σ(I)
Graphite monochromatorRint = 0.028
φ scansθmax = 25.0°, θmin = 2.5°
Absorption correction: multi-scan
(SADABS; Sheldrick, 1996)
h = 3030
Tmin = 0.242, Tmax = 0.287k = 1019
13441 measured reflectionsl = 1616
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)] = 0.041Hydrogen site location: inferred from neighbouring sites
wR(F2) = 0.123H-atom parameters constrained
S = 1.07 w = 1/[σ2(Fo2) + (0.0745P)2 + 13.1567P]
where P = (Fo2 + 2Fc2)/3
4659 reflections(Δ/σ)max = 0.001
399 parametersΔρmax = 1.69 e Å3
0 restraintsΔρmin = 3.80 e Å3
Special details top

Experimental. Spectroscopic analysis, IR (KBr disk, cm-1): 1627, 1606, 1586, 1427, 1107, 960, 848, 799, 773, 720.

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

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

Fractional atomic coordinates and isotropic or equivalent isotropic displacement parameters (Å2) top
xyzUiso*/UeqOcc. (<1)
W10.244940 (16)0.10754 (3)0.50394 (3)0.03729 (15)
W20.152291 (18)0.25799 (2)0.45369 (4)0.04041 (16)
W30.22545 (3)0.24489 (3)0.31865 (4)0.05405 (18)
Cu10.03179 (5)0.24901 (6)0.62481 (12)0.0418 (3)
Cl10.00000.1811 (2)0.75000.0398 (8)
O10.2422 (3)0.0015 (5)0.5099 (6)0.055 (2)
O20.0809 (3)0.2647 (5)0.4236 (10)0.074 (3)
O30.2099 (7)0.2394 (6)0.1878 (9)0.095 (4)
O40.1666 (3)0.1430 (4)0.4633 (6)0.0396 (16)
O50.1528 (3)0.2550 (4)0.3171 (6)0.049 (2)
O60.2266 (3)0.1306 (4)0.3577 (5)0.0473 (18)
O70.2651 (3)0.1384 (4)0.6467 (5)0.0417 (16)
O80.1910 (4)0.2606 (4)0.6075 (7)0.049 (2)
O90.1754 (3)0.3706 (4)0.4611 (6)0.0425 (17)
O100.25000.25000.50000.0229 (19)
N10.0354 (3)0.3247 (5)0.5785 (6)0.0388 (19)
N20.0771 (4)0.3586 (5)0.6688 (7)0.043 (2)
N30.0980 (3)0.1715 (5)0.6767 (6)0.0357 (19)
N40.0014 (3)0.1756 (4)0.4910 (6)0.0283 (16)
C10.0907 (4)0.3057 (8)0.5404 (9)0.053 (3)
H1A0.10140.25080.52780.063*
C20.1338 (5)0.3645 (8)0.5182 (9)0.059 (3)
H2A0.17230.34820.48960.071*
C30.1205 (5)0.4417 (9)0.5370 (9)0.062 (3)
H3A0.14920.48020.52470.075*
C40.0617 (6)0.4674 (7)0.5765 (9)0.058 (3)
C50.0202 (4)0.4042 (6)0.5991 (7)0.038 (2)
C60.0429 (8)0.5474 (8)0.5990 (10)0.077 (4)
H6A0.07000.58860.58590.093*
C70.0137 (8)0.5681 (7)0.6396 (11)0.077 (5)
H7A0.02480.62300.65060.093*
C80.0568 (6)0.5041 (7)0.6657 (8)0.052 (3)
C90.0390 (5)0.4224 (6)0.6459 (7)0.042 (2)
C100.1157 (7)0.5211 (8)0.7117 (9)0.067 (4)
H10A0.12890.57490.72800.081*
C110.1527 (7)0.4605 (11)0.7321 (10)0.082 (5)
H11A0.19210.47190.76150.099*
C120.1321 (5)0.3737 (8)0.7084 (9)0.053 (3)
H12A0.15830.33110.72190.064*
C130.1442 (4)0.1734 (8)0.7726 (9)0.054 (3)
H13A0.14860.21520.82060.065*
C140.1868 (5)0.1118 (9)0.8015 (10)0.068 (4)
H14A0.21920.11280.86900.081*
C150.1808 (5)0.0500 (8)0.7306 (12)0.071 (4)
H15A0.20900.00940.75050.085*
C160.1319 (4)0.0479 (6)0.6276 (8)0.039 (2)
C170.0910 (4)0.1116 (5)0.6065 (7)0.0290 (19)
C180.1199 (5)0.0140 (6)0.5501 (11)0.055 (3)
H18A0.14590.05680.56350.066*
C190.0713 (6)0.0104 (7)0.4584 (11)0.058 (3)
H19A0.06470.05100.40760.070*
C200.0290 (4)0.0505 (6)0.4325 (8)0.038 (2)
C210.0393 (4)0.1127 (5)0.5059 (7)0.0284 (19)
C220.0250 (5)0.0534 (8)0.3368 (9)0.056 (3)
H22A0.03500.01110.28700.067*
C230.0621 (5)0.1168 (7)0.3173 (7)0.045 (3)
H23A0.09660.12010.25340.054*
C240.0468 (4)0.1773 (6)0.3966 (8)0.039 (2)
H24A0.07180.22150.38260.047*
O1W0.2521 (11)0.177 (2)0.067 (2)0.136 (13)0.55
O1W'0.2137 (15)0.1658 (19)0.018 (2)0.114 (11)0.45
Atomic displacement parameters (Å2) top
U11U22U33U12U13U23
W10.0370 (2)0.0249 (2)0.0522 (3)0.00215 (16)0.0229 (2)0.00286 (16)
W20.0279 (2)0.0293 (3)0.0695 (3)0.00482 (15)0.0275 (2)0.00950 (18)
W30.0736 (4)0.0481 (3)0.0456 (3)0.0020 (2)0.0324 (3)0.00211 (19)
Cu10.0270 (6)0.0282 (7)0.0599 (9)0.0031 (5)0.0119 (6)0.0084 (5)
Cl10.0476 (19)0.0342 (18)0.048 (2)0.0000.0312 (17)0.000
O10.054 (5)0.022 (4)0.084 (6)0.000 (3)0.028 (4)0.005 (3)
O20.028 (4)0.043 (5)0.157 (10)0.007 (3)0.047 (6)0.020 (5)
O30.160 (12)0.073 (7)0.061 (6)0.010 (6)0.060 (7)0.008 (4)
O40.030 (3)0.024 (4)0.066 (5)0.001 (3)0.025 (3)0.009 (3)
O50.046 (5)0.045 (5)0.036 (4)0.006 (3)0.002 (3)0.011 (3)
O60.074 (5)0.032 (4)0.043 (4)0.000 (4)0.034 (4)0.006 (3)
O70.052 (4)0.034 (4)0.046 (4)0.006 (3)0.029 (3)0.013 (3)
O80.063 (5)0.043 (4)0.067 (5)0.009 (3)0.053 (5)0.007 (3)
O90.037 (4)0.029 (4)0.069 (5)0.011 (3)0.031 (4)0.007 (3)
O100.014 (4)0.022 (5)0.037 (5)0.006 (3)0.015 (4)0.005 (3)
N10.034 (4)0.032 (5)0.054 (5)0.008 (4)0.024 (4)0.005 (4)
N20.045 (5)0.045 (5)0.053 (5)0.011 (4)0.033 (4)0.011 (4)
N30.018 (4)0.046 (5)0.038 (5)0.005 (3)0.010 (3)0.001 (4)
N40.025 (4)0.025 (4)0.036 (4)0.000 (3)0.015 (3)0.005 (3)
C10.039 (6)0.054 (7)0.062 (7)0.007 (5)0.020 (5)0.017 (6)
C20.037 (6)0.071 (9)0.065 (8)0.027 (6)0.021 (6)0.007 (7)
C30.054 (7)0.079 (10)0.052 (7)0.037 (7)0.023 (6)0.010 (6)
C40.108 (11)0.033 (6)0.046 (6)0.021 (7)0.048 (7)0.008 (5)
C50.048 (6)0.032 (5)0.043 (5)0.006 (5)0.030 (5)0.001 (4)
C60.132 (14)0.046 (8)0.063 (9)0.041 (9)0.054 (9)0.009 (7)
C70.171 (16)0.019 (6)0.075 (9)0.002 (9)0.085 (11)0.004 (6)
C80.084 (8)0.042 (7)0.047 (6)0.015 (6)0.045 (6)0.005 (5)
C90.072 (7)0.030 (5)0.038 (5)0.000 (5)0.039 (5)0.005 (4)
C100.119 (12)0.046 (8)0.052 (7)0.020 (8)0.053 (8)0.007 (6)
C110.079 (10)0.118 (14)0.063 (8)0.065 (10)0.044 (8)0.046 (9)
C120.054 (7)0.063 (8)0.052 (7)0.023 (6)0.033 (6)0.021 (6)
C130.037 (6)0.071 (8)0.047 (7)0.008 (6)0.014 (5)0.002 (6)
C140.037 (6)0.100 (11)0.054 (8)0.012 (7)0.011 (6)0.019 (7)
C150.055 (7)0.059 (8)0.119 (12)0.025 (6)0.057 (8)0.045 (8)
C160.035 (5)0.035 (6)0.046 (6)0.008 (4)0.020 (5)0.015 (5)
C170.032 (5)0.016 (4)0.044 (5)0.000 (4)0.021 (4)0.006 (4)
C180.064 (7)0.030 (6)0.104 (10)0.018 (5)0.066 (8)0.016 (6)
C190.084 (9)0.047 (7)0.075 (8)0.006 (7)0.064 (8)0.004 (6)
C200.051 (6)0.029 (5)0.049 (6)0.004 (5)0.037 (5)0.002 (4)
C210.029 (4)0.026 (5)0.037 (5)0.000 (4)0.022 (4)0.009 (4)
C220.068 (8)0.069 (9)0.045 (6)0.022 (7)0.039 (6)0.013 (6)
C230.050 (6)0.056 (7)0.023 (5)0.012 (6)0.013 (5)0.005 (5)
C240.036 (5)0.032 (5)0.048 (6)0.004 (4)0.019 (5)0.016 (5)
O1W0.12 (2)0.16 (3)0.15 (3)0.07 (2)0.073 (19)0.10 (2)
O1W'0.18 (3)0.09 (2)0.063 (17)0.00 (2)0.06 (2)0.026 (15)
Geometric parameters (Å, º) top
W1—O11.733 (8)C1—H1A0.930
W1—O71.896 (7)C2—C31.298 (17)
W1—O61.925 (7)C2—H2A0.930
W1—O9i1.933 (6)C3—C41.427 (17)
W1—O41.937 (6)C3—H3A0.930
W1—O102.3263 (5)C4—C61.376 (19)
W2—O21.710 (7)C4—C51.419 (14)
W2—O41.902 (6)C5—C91.398 (14)
W2—O81.917 (9)C6—C71.35 (2)
W2—O91.918 (7)C6—H6A0.930
W2—O51.937 (8)C7—C81.449 (18)
W2—O102.3217 (4)C7—H7A0.930
W3—O31.697 (10)C8—C101.387 (17)
W3—O51.895 (9)C8—C91.394 (14)
W3—O8i1.929 (9)C10—C111.31 (2)
W3—O61.937 (7)C10—H10A0.930
W3—O7i1.949 (7)C11—C121.494 (18)
W3—O102.3307 (5)C11—H11A0.930
Cu1—N11.986 (7)C12—H12A0.930
Cu1—N22.069 (8)C13—C141.409 (16)
Cu1—N31.983 (7)C13—H13A0.930
Cu1—N42.054 (7)C14—C151.376 (19)
Cu1—Cl12.535 (2)C14—H14A0.930
Cl1—Cu1ii2.535 (2)C15—C161.414 (16)
O7—W3i1.949 (7)C15—H15A0.930
O8—W3i1.929 (9)C16—C181.411 (15)
O9—W1i1.933 (6)C16—C171.415 (12)
O10—W2i2.3217 (4)C17—C211.427 (12)
O10—W1i2.3263 (5)C18—C191.320 (16)
O10—W3i2.3307 (5)C18—H18A0.930
N1—C11.319 (12)C19—C201.399 (15)
N1—C51.346 (12)C19—H19A0.930
N2—C121.297 (13)C20—C211.382 (12)
N2—C91.368 (12)C20—C221.423 (15)
N3—C131.323 (12)C22—C231.352 (16)
N3—C171.341 (11)C22—H22A0.930
N4—C241.333 (11)C23—C241.401 (14)
N4—C211.370 (10)C23—H23A0.930
C1—C21.397 (14)C24—H24A0.930
O1—W1—O7102.1 (3)C12—N2—Cu1130.8 (8)
O1—W1—O6104.6 (3)C9—N2—Cu1109.6 (6)
O7—W1—O6153.3 (3)C13—N3—C17121.0 (9)
O1—W1—O9i103.6 (3)C13—N3—Cu1125.4 (7)
O7—W1—O9i87.4 (3)C17—N3—Cu1113.5 (6)
O6—W1—O9i86.0 (3)C24—N4—C21116.2 (8)
O1—W1—O4104.5 (3)C24—N4—Cu1132.9 (6)
O7—W1—O487.7 (3)C21—N4—Cu1110.8 (5)
O6—W1—O486.0 (3)N1—C1—C2122.9 (11)
O9i—W1—O4151.9 (3)N1—C1—H1A118.5
O1—W1—O10178.7 (2)C2—C1—H1A118.5
O7—W1—O1076.7 (2)C3—C2—C1120.6 (11)
O6—W1—O1076.6 (2)C3—C2—H2A119.7
O9i—W1—O1075.9 (2)C1—C2—H2A119.7
O4—W1—O1076.08 (19)C2—C3—C4119.9 (11)
O2—W2—O4103.6 (3)C2—C3—H3A120.1
O2—W2—O8102.1 (5)C4—C3—H3A120.1
O4—W2—O887.7 (3)C6—C4—C5118.9 (13)
O2—W2—O9103.4 (3)C6—C4—C3124.7 (13)
O4—W2—O9153.1 (3)C5—C4—C3116.3 (11)
O8—W2—O986.1 (3)N1—C5—C9117.0 (8)
O2—W2—O5105.9 (5)N1—C5—C4122.3 (10)
O4—W2—O587.3 (3)C9—C5—C4120.7 (10)
O8—W2—O5151.9 (3)C7—C6—C4122.3 (13)
O9—W2—O585.9 (3)C7—C6—H6A118.8
O2—W2—O10178.2 (4)C4—C6—H6A118.8
O4—W2—O1076.82 (18)C6—C7—C8119.4 (12)
O8—W2—O1076.1 (2)C6—C7—H7A120.3
O9—W2—O1076.23 (18)C8—C7—H7A120.3
O5—W2—O1075.9 (2)C10—C8—C9118.4 (12)
O3—W3—O5105.5 (6)C10—C8—C7122.2 (12)
O3—W3—O8i102.5 (6)C9—C8—C7119.4 (12)
O5—W3—O8i152.0 (3)N2—C9—C8122.8 (10)
O3—W3—O6102.9 (4)N2—C9—C5118.0 (9)
O5—W3—O688.2 (3)C8—C9—C5119.2 (10)
O8i—W3—O686.5 (3)C11—C10—C8119.5 (12)
O3—W3—O7i105.2 (4)C11—C10—H10A120.2
O5—W3—O7i85.7 (3)C8—C10—H10A120.2
O8i—W3—O7i86.1 (3)C10—C11—C12120.7 (12)
O6—W3—O7i151.9 (3)C10—C11—H11A119.6
O3—W3—O10177.9 (5)C12—C11—H11A119.6
O5—W3—O1076.4 (2)N2—C12—C11119.0 (12)
O8i—W3—O1075.7 (2)N2—C12—H12A120.5
O6—W3—O1076.23 (19)C11—C12—H12A120.5
O7i—W3—O1075.67 (19)N3—C13—C14119.7 (11)
N3—Cu1—N1177.2 (3)N3—C13—H13A120.2
N3—Cu1—N482.0 (3)C14—C13—H13A120.2
N1—Cu1—N499.2 (3)C15—C14—C13120.4 (11)
N3—Cu1—N299.3 (3)C15—C14—H14A119.8
N1—Cu1—N281.7 (3)C13—C14—H14A119.8
N4—Cu1—N2134.2 (3)C14—C15—C16120.3 (11)
N3—Cu1—Cl188.9 (2)C14—C15—H15A119.9
N1—Cu1—Cl188.3 (2)C16—C15—H15A119.9
N4—Cu1—Cl1106.0 (2)C18—C16—C15125.3 (10)
N2—Cu1—Cl1119.8 (2)C18—C16—C17119.4 (9)
Cu1—Cl1—Cu1ii128.24 (14)C15—C16—C17115.2 (10)
W2—O4—W1117.4 (3)N3—C17—C16123.4 (8)
W3—O5—W2117.9 (4)N3—C17—C21117.5 (8)
W1—O6—W3117.1 (3)C16—C17—C21119.1 (8)
W1—O7—W3i117.7 (3)C19—C18—C16119.3 (10)
W2—O8—W3i118.0 (3)C19—C18—H18A120.4
W2—O9—W1i117.6 (3)C16—C18—H18A120.4
W2—O10—W2i180.00 (2)C18—C19—C20124.3 (11)
W2—O10—W189.730 (13)C18—C19—H19A117.9
W2i—O10—W190.270 (13)C20—C19—H19A117.9
W2—O10—W1i90.270 (13)C21—C20—C19118.3 (10)
W2i—O10—W1i89.730 (13)C21—C20—C22116.3 (9)
W1—O10—W1i180.0C19—C20—C22125.4 (10)
W2—O10—W3i90.218 (19)N4—C21—C20124.2 (8)
W2i—O10—W3i89.782 (19)N4—C21—C17116.1 (8)
W1—O10—W3i89.921 (14)C20—C21—C17119.6 (8)
W1i—O10—W3i90.079 (14)C23—C22—C20120.9 (10)
W2—O10—W389.782 (19)C23—C22—H22A119.6
W2i—O10—W390.218 (19)C20—C22—H22A119.6
W1—O10—W390.079 (14)C22—C23—C24117.9 (10)
W1i—O10—W389.921 (14)C22—C23—H23A121.1
W3i—O10—W3180.0C24—C23—H23A121.1
C1—N1—C5117.9 (9)N4—C24—C23124.3 (9)
C1—N1—Cu1128.1 (8)N4—C24—H24A117.9
C5—N1—Cu1113.7 (6)C23—C24—H24A117.9
C12—N2—C9119.6 (10)
Symmetry codes: (i) x+1/2, y+1/2, z+1; (ii) x, y, z+3/2.
Hydrogen-bond geometry (Å) top
D—H···AD···A
O1W···O1iii3.00 (3)
O1W···O32.64 (3)
O1W···O1Wiv3.00 (8)
O1W···O1Wiv3.13 (4)
O1W···O1iii2.84 (3)
O1W···O32.72 (3)
O1W···O1Wiv3.51 (7)
Symmetry codes: (iii) x, y, z1/2; (iv) x+1/2, y+1/2, z.
 

Subscribe to Acta Crystallographica Section E: Crystallographic Communications

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