The title compound, [Zn(C
2H
3O
2)(bipy)
2]PF
6·H
2O, where bipy is 2,2'-bipyridyl (C
10H
8N
2), crystallizes in the triclinic space group
P with one independent molecule in a general position. The Zn atom is coordinated by one acetate and two bipyridine ligands in an approximate
mm2 point-group symmetry. The two Zn-O bond distances are similar to each other, as are the Zn-N bond distances.
Supporting information
CCDC reference: 248751
Key indicators
- Single-crystal X-ray study
- T = 293 K
- Mean (C-C) = 0.006 Å
- R factor = 0.052
- wR factor = 0.153
- Data-to-parameter ratio = 12.9
checkCIF/PLATON results
No syntax errors found
Alert level C
PLAT042_ALERT_1_C Calc. and Rep. MoietyFormula Strings Differ .... ?
PLAT125_ALERT_4_C No _symmetry_space_group_name_Hall Given ....... ?
PLAT232_ALERT_2_C Hirshfeld Test Diff (M-X) Zn1 - O1 .. 6.01 su
PLAT232_ALERT_2_C Hirshfeld Test Diff (M-X) Zn1 - O2 .. 5.90 su
PLAT244_ALERT_4_C Low Solvent U(eq) as Compared to Neighbors for P1
PLAT720_ALERT_4_C Number of Unusual/Non-Standard Label(s) ........ 2
PLAT751_ALERT_4_C Bond Calc 0.85154, Rep 0.851(4) ...... Senseless su
O3 -H1O3 1.555 1.555
PLAT751_ALERT_4_C Bond Calc 0.86150, Rep 0.861(4) ...... Senseless su
O3 -H2O3 1.555 1.555
PLAT752_ALERT_4_C Angle Calc 106.57, Rep 106.6(5) ...... Senseless su
H1O3 -O3 -H2O3 1.555 1.555 1.555
PLAT790_ALERT_4_C Centre of Gravity not Within Unit Cell: Resd. # 3
H2 O
0 ALERT level A = In general: serious problem
0 ALERT level B = Potentially serious problem
10 ALERT level C = Check and explain
0 ALERT level G = General alerts; check
1 ALERT type 1 CIF construction/syntax error, inconsistent or missing data
2 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
7 ALERT type 4 Improvement, methodology, query or suggestion
Data collection: COLLECT (Nonius, 1999); cell refinement: COLLECT; data reduction: COLLECT; program(s) used to solve structure: SHELXS97 (Sheldrick, 1997); program(s) used to refine structure: SHELXL97 (Sheldrick, 1997); molecular graphics: ORTEP-3 (Farrugia, 1997); software used to prepare material for publication: WinGX (Farrugia, 1999).
acetatobis(2,2'-bipyridil)znic(II) hexafluorphosphate monohydrate
top
Crystal data top
[Zn(C2H3O2)(C10H8N2)2]PF6·H2O | F(000) = 608 |
Mr = 599.79 | Dx = 1.616 Mg m−3 |
Triclinic, P1 | Melting point: not measured K |
a = 8.4489 (4) Å | Mo Kα radiation, λ = 0.71073 Å |
b = 10.0482 (5) Å | Cell parameters from 11273 reflections |
c = 14.9191 (8) Å | θ = 0.4–27.1° |
α = 77.264 (3)° | µ = 1.14 mm−1 |
β = 87.306 (3)° | T = 293 K |
γ = 86.554 (3)° | Prism, colorless |
V = 1232.44 (11) Å3 | 0.15 × 0.13 × 0.09 mm |
Z = 2 | |
Data collection top
Nonius KappaCCD diffractometer | 3411 reflections with I > 2σ(I) |
Radiation source: fine focus sealed tube, nonius | Rint = 0.053 |
Horizonally mounted graphite crystal monochromator | θmax = 25°, θmin = 1.4° |
Detector resolution: 9 pixels mm-1 | h = −8→10 |
CCD scans | k = −11→11 |
13542 measured reflections | l = −17→17 |
4308 independent 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)] = 0.052 | Hydrogen site location: inferred from neighbouring sites |
wR(F2) = 0.153 | H atoms treated by a mixture of independent and constrained refinement |
S = 1.05 | w = 1/[σ2(Fo2) + (0.0986P)2 + 0.1996P] where P = (Fo2 + 2Fc2)/3 |
4308 reflections | (Δ/σ)max < 0.001 |
334 parameters | Δρmax = 0.55 e Å−3 |
0 restraints | Δρmin = −0.50 e Å−3 |
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 | x | y | z | Uiso*/Ueq | |
O3 | −0.2582 (6) | 0.1279 (4) | 0.4022 (3) | 0.1155 (16) | |
H1O3 | −0.2574 | 0.2123 | 0.3762 | 0.076* | |
H2O3 | −0.3288 | 0.0933 | 0.3756 | 0.076* | |
Zn1 | 0.02308 (5) | 0.48059 (4) | 0.24915 (3) | 0.04602 (19) | |
N2 | 0.0280 (4) | 0.6352 (3) | 0.3257 (2) | 0.0480 (7) | |
N3 | 0.0496 (4) | 0.3315 (3) | 0.1664 (2) | 0.0472 (7) | |
O2 | −0.2047 (3) | 0.5592 (3) | 0.19285 (18) | 0.0558 (7) | |
N1 | 0.1706 (4) | 0.3873 (3) | 0.3595 (2) | 0.0465 (7) | |
O1 | −0.2020 (3) | 0.4006 (3) | 0.31807 (19) | 0.0593 (7) | |
N4 | 0.1729 (4) | 0.5749 (3) | 0.1380 (2) | 0.0463 (7) | |
C5 | 0.1978 (4) | 0.4652 (4) | 0.4186 (2) | 0.0470 (9) | |
C21 | −0.2765 (5) | 0.4814 (4) | 0.2556 (3) | 0.0504 (9) | |
C6 | 0.1214 (4) | 0.6058 (4) | 0.3981 (2) | 0.0471 (9) | |
C15 | 0.1339 (4) | 0.3693 (4) | 0.0873 (3) | 0.0468 (9) | |
C16 | 0.2028 (4) | 0.5060 (4) | 0.0711 (2) | 0.0465 (9) | |
C14 | 0.1543 (6) | 0.2866 (4) | 0.0246 (3) | 0.0590 (10) | |
H14 | 0.2118 | 0.3151 | −0.0303 | 0.071* | |
C20 | 0.2345 (5) | 0.6992 (4) | 0.1274 (3) | 0.0561 (10) | |
H20 | 0.2141 | 0.7478 | 0.1734 | 0.067* | |
C1 | 0.2343 (5) | 0.2598 (4) | 0.3744 (3) | 0.0599 (10) | |
H1 | 0.2155 | 0.2056 | 0.3333 | 0.072* | |
C4 | 0.2888 (5) | 0.4162 (5) | 0.4945 (3) | 0.0629 (11) | |
H4 | 0.3056 | 0.4713 | 0.5354 | 0.075* | |
C17 | 0.2917 (5) | 0.5593 (4) | −0.0068 (3) | 0.0604 (11) | |
H17 | 0.3095 | 0.5105 | −0.0528 | 0.073* | |
C11 | −0.0176 (6) | 0.2111 (4) | 0.1839 (3) | 0.0606 (11) | |
H11 | −0.0777 | 0.1856 | 0.2381 | 0.073* | |
C2 | 0.3270 (6) | 0.2057 (5) | 0.4485 (3) | 0.0718 (13) | |
H2 | 0.37 | 0.1166 | 0.4572 | 0.086* | |
C19 | 0.3251 (6) | 0.7561 (5) | 0.0522 (3) | 0.0661 (12) | |
H19 | 0.3664 | 0.8411 | 0.0475 | 0.079* | |
C9 | −0.0329 (6) | 0.8563 (5) | 0.3551 (3) | 0.0667 (12) | |
H9 | −0.0886 | 0.9405 | 0.3399 | 0.08* | |
C12 | −0.0014 (6) | 0.1237 (5) | 0.1252 (3) | 0.0695 (13) | |
H12 | −0.0501 | 0.0407 | 0.1394 | 0.083* | |
C7 | 0.1410 (6) | 0.7011 (5) | 0.4508 (3) | 0.0667 (12) | |
H7 | 0.205 | 0.6791 | 0.5016 | 0.08* | |
C18 | 0.3543 (6) | 0.6858 (5) | −0.0163 (3) | 0.0699 (13) | |
H18 | 0.4153 | 0.7226 | −0.0684 | 0.084* | |
C10 | −0.0484 (5) | 0.7582 (4) | 0.3047 (3) | 0.0586 (10) | |
H10 | −0.114 | 0.7781 | 0.2546 | 0.07* | |
C22 | −0.4547 (5) | 0.4850 (5) | 0.2577 (4) | 0.0800 (15) | |
H22A | −0.492 | 0.4182 | 0.3096 | 0.12* | |
H22B | −0.4899 | 0.4649 | 0.2021 | 0.12* | |
H22C | −0.4962 | 0.5742 | 0.2629 | 0.12* | |
C13 | 0.0876 (6) | 0.1601 (5) | 0.0450 (3) | 0.0719 (13) | |
H13 | 0.1029 | 0.1009 | 0.005 | 0.086* | |
C8 | 0.0656 (7) | 0.8278 (5) | 0.4277 (4) | 0.0746 (14) | |
H8 | 0.0813 | 0.8937 | 0.461 | 0.09* | |
C3 | 0.3548 (6) | 0.2842 (6) | 0.5089 (3) | 0.0765 (14) | |
H3 | 0.4174 | 0.2497 | 0.5593 | 0.092* | |
P1 | 0.48833 (15) | 0.98960 (12) | 0.22912 (9) | 0.0653 (3) | |
F3 | 0.4901 (8) | 1.0101 (5) | 0.1225 (3) | 0.159 (2) | |
F5 | 0.4594 (7) | 1.1469 (3) | 0.2179 (3) | 0.1439 (18) | |
F6 | 0.4846 (7) | 0.9753 (4) | 0.3352 (3) | 0.1494 (19) | |
F4 | 0.6660 (5) | 1.0158 (7) | 0.2222 (5) | 0.201 (3) | |
F2 | 0.5147 (9) | 0.8324 (4) | 0.2430 (4) | 0.178 (2) | |
F1 | 0.3120 (6) | 0.9666 (7) | 0.2319 (4) | 0.195 (3) | |
Atomic displacement parameters (Å2) top | U11 | U22 | U33 | U12 | U13 | U23 |
O3 | 0.155 (4) | 0.082 (3) | 0.115 (3) | −0.015 (3) | −0.036 (3) | −0.024 (2) |
Zn1 | 0.0471 (3) | 0.0504 (3) | 0.0415 (3) | −0.00399 (19) | −0.00228 (18) | −0.01163 (19) |
N2 | 0.0512 (18) | 0.0508 (18) | 0.0412 (17) | −0.0024 (15) | −0.0027 (14) | −0.0085 (13) |
N3 | 0.0505 (17) | 0.0477 (17) | 0.0436 (17) | −0.0046 (14) | −0.0013 (14) | −0.0096 (13) |
O2 | 0.0533 (16) | 0.0693 (18) | 0.0448 (15) | −0.0071 (14) | 0.0015 (12) | −0.0121 (13) |
N1 | 0.0442 (17) | 0.0529 (18) | 0.0421 (17) | 0.0003 (14) | 0.0028 (13) | −0.0115 (14) |
O1 | 0.0561 (17) | 0.0657 (17) | 0.0540 (17) | −0.0076 (14) | −0.0085 (13) | −0.0061 (14) |
N4 | 0.0476 (17) | 0.0485 (17) | 0.0436 (17) | −0.0056 (14) | −0.0031 (13) | −0.0106 (13) |
C5 | 0.0398 (19) | 0.060 (2) | 0.040 (2) | −0.0041 (17) | 0.0031 (15) | −0.0079 (17) |
C21 | 0.047 (2) | 0.061 (2) | 0.047 (2) | −0.0028 (18) | −0.0023 (17) | −0.0200 (19) |
C6 | 0.047 (2) | 0.055 (2) | 0.041 (2) | −0.0084 (17) | 0.0050 (16) | −0.0150 (16) |
C15 | 0.046 (2) | 0.051 (2) | 0.043 (2) | 0.0011 (17) | −0.0080 (16) | −0.0103 (16) |
C16 | 0.045 (2) | 0.054 (2) | 0.042 (2) | −0.0046 (17) | −0.0076 (16) | −0.0100 (16) |
C14 | 0.076 (3) | 0.061 (2) | 0.042 (2) | −0.009 (2) | −0.0001 (19) | −0.0159 (18) |
C20 | 0.063 (2) | 0.055 (2) | 0.052 (2) | −0.016 (2) | −0.0025 (19) | −0.0136 (18) |
C1 | 0.064 (3) | 0.055 (2) | 0.056 (3) | 0.007 (2) | 0.005 (2) | −0.0072 (19) |
C4 | 0.066 (3) | 0.079 (3) | 0.043 (2) | −0.001 (2) | −0.0110 (19) | −0.011 (2) |
C17 | 0.071 (3) | 0.067 (3) | 0.044 (2) | −0.012 (2) | 0.0066 (19) | −0.0146 (19) |
C11 | 0.073 (3) | 0.052 (2) | 0.056 (2) | −0.015 (2) | 0.004 (2) | −0.0071 (19) |
C2 | 0.076 (3) | 0.066 (3) | 0.064 (3) | 0.016 (2) | −0.002 (2) | −0.001 (2) |
C19 | 0.072 (3) | 0.062 (3) | 0.063 (3) | −0.022 (2) | −0.001 (2) | −0.005 (2) |
C9 | 0.083 (3) | 0.052 (2) | 0.065 (3) | 0.002 (2) | 0.006 (2) | −0.017 (2) |
C12 | 0.089 (3) | 0.051 (2) | 0.072 (3) | −0.019 (2) | −0.003 (3) | −0.017 (2) |
C7 | 0.079 (3) | 0.071 (3) | 0.057 (3) | −0.009 (2) | −0.007 (2) | −0.026 (2) |
C18 | 0.080 (3) | 0.072 (3) | 0.054 (3) | −0.022 (3) | 0.012 (2) | −0.005 (2) |
C10 | 0.065 (3) | 0.053 (2) | 0.057 (3) | 0.006 (2) | −0.002 (2) | −0.0118 (19) |
C22 | 0.048 (3) | 0.102 (4) | 0.085 (4) | −0.004 (3) | 0.002 (2) | −0.012 (3) |
C13 | 0.095 (4) | 0.064 (3) | 0.065 (3) | −0.008 (3) | −0.004 (3) | −0.030 (2) |
C8 | 0.099 (4) | 0.063 (3) | 0.071 (3) | −0.012 (3) | 0.001 (3) | −0.034 (2) |
C3 | 0.071 (3) | 0.093 (4) | 0.055 (3) | 0.016 (3) | −0.012 (2) | 0.003 (3) |
P1 | 0.0671 (7) | 0.0562 (7) | 0.0733 (8) | −0.0084 (6) | −0.0117 (6) | −0.0125 (6) |
F3 | 0.279 (7) | 0.128 (3) | 0.082 (3) | −0.057 (4) | −0.010 (3) | −0.033 (2) |
F5 | 0.251 (6) | 0.063 (2) | 0.109 (3) | 0.003 (3) | 0.031 (3) | −0.0100 (19) |
F6 | 0.267 (6) | 0.103 (3) | 0.076 (2) | −0.032 (3) | −0.011 (3) | −0.006 (2) |
F4 | 0.073 (3) | 0.272 (7) | 0.264 (7) | −0.032 (4) | −0.006 (4) | −0.064 (6) |
F2 | 0.290 (7) | 0.066 (2) | 0.178 (5) | 0.014 (3) | −0.013 (5) | −0.033 (3) |
F1 | 0.086 (3) | 0.235 (6) | 0.237 (6) | −0.054 (4) | −0.023 (3) | 0.023 (5) |
Geometric parameters (Å, º) top
Zn1—O1 | 2.226 (3) | C19—C18 | 1.371 (7) |
Zn1—O2 | 2.170 (3) | C9—C8 | 1.366 (7) |
Zn1—N1 | 2.125 (3) | C9—C10 | 1.381 (6) |
Zn1—N2 | 2.124 (3) | C12—C13 | 1.374 (7) |
Zn1—N3 | 2.136 (3) | C7—C8 | 1.369 (7) |
Zn1—N4 | 2.122 (3) | P1—F1 | 1.518 (4) |
Zn1—C21 | 2.528 (4) | P1—F4 | 1.535 (5) |
N2—C6 | 1.337 (5) | P1—F2 | 1.551 (4) |
N2—C10 | 1.339 (5) | P1—F6 | 1.556 (4) |
N3—C11 | 1.336 (5) | P1—F3 | 1.558 (4) |
N3—C15 | 1.342 (5) | P1—F5 | 1.558 (4) |
O2—C21 | 1.239 (5) | O3—H1O3 | 0.851 (4) |
N1—C1 | 1.335 (5) | O3—H2O3 | 0.861 (4) |
N1—C5 | 1.337 (5) | C14—H14 | 0.9300 |
O1—C21 | 1.259 (5) | C20—H20 | 0.9300 |
N4—C16 | 1.342 (5) | C1—H1 | 0.9300 |
N4—C20 | 1.356 (5) | C4—H4 | 0.9300 |
C5—C4 | 1.380 (5) | C17—H17 | 0.9300 |
C5—C6 | 1.492 (6) | C11—H11 | 0.9300 |
C21—C22 | 1.503 (6) | C2—H2 | 0.9300 |
C6—C7 | 1.389 (6) | C19—H19 | 0.9300 |
C15—C14 | 1.381 (6) | C9—H9 | 0.9300 |
C15—C16 | 1.490 (5) | C7—H7 | 0.9300 |
C16—C17 | 1.376 (5) | C18—H18 | 0.9300 |
C14—C13 | 1.388 (6) | C10—H10 | 0.9300 |
C20—C19 | 1.364 (6) | C22—H22A | 0.9600 |
C1—C2 | 1.377 (6) | C22—H22B | 0.9600 |
C4—C3 | 1.383 (7) | C22—H22C | 0.9600 |
C17—C18 | 1.381 (6) | C13—H13 | 0.9300 |
C11—C12 | 1.367 (6) | C8—H8 | 0.9300 |
C2—C3 | 1.358 (7) | C3—H3 | 0.9300 |
| | | |
N1—Zn1—O1 | 95.68 (11) | C11—C12—C13 | 119.2 (4) |
N1—Zn1—O2 | 152.55 (12) | C8—C7—C6 | 119.6 (4) |
N1—Zn1—N2 | 77.38 (12) | C19—C18—C17 | 118.9 (4) |
N1—Zn1—N3 | 100.36 (12) | N2—C10—C9 | 122.1 (4) |
N1—Zn1—N4 | 107.45 (12) | C12—C13—C14 | 118.9 (4) |
N2—Zn1—O1 | 93.42 (11) | C9—C8—C7 | 119.3 (4) |
N2—Zn1—O2 | 92.27 (12) | C2—C3—C4 | 119.1 (4) |
N2—Zn1—N3 | 172.44 (12) | F1—P1—F4 | 177.7 (4) |
N2—Zn1—N4 | 96.52 (11) | F1—P1—F2 | 86.6 (4) |
N3—Zn1—O1 | 93.98 (11) | F4—P1—F2 | 94.3 (4) |
N3—Zn1—O2 | 92.81 (12) | F1—P1—F6 | 90.8 (3) |
N3—Zn1—N4 | 77.18 (11) | F4—P1—F6 | 91.3 (4) |
N4—Zn1—O1 | 156.31 (11) | F2—P1—F6 | 89.8 (3) |
N4—Zn1—O2 | 98.87 (11) | F1—P1—F3 | 89.0 (3) |
O1—Zn1—O2 | 59.19 (10) | F4—P1—F3 | 88.8 (3) |
N4—Zn1—C21 | 127.68 (12) | F2—P1—F3 | 92.4 (3) |
N2—Zn1—C21 | 93.41 (12) | F6—P1—F3 | 177.7 (3) |
N1—Zn1—C21 | 124.84 (12) | F1—P1—F5 | 92.7 (4) |
N3—Zn1—C21 | 93.76 (12) | F4—P1—F5 | 86.4 (3) |
O2—Zn1—C21 | 29.33 (11) | F2—P1—F5 | 178.4 (3) |
O1—Zn1—C21 | 29.86 (11) | F6—P1—F5 | 88.7 (2) |
C6—N2—C10 | 119.2 (4) | F3—P1—F5 | 89.0 (2) |
C6—N2—Zn1 | 115.4 (3) | H1O3—O3—H2O3 | 106.6 (5) |
C10—N2—Zn1 | 125.4 (3) | C15—C14—H14 | 120.6 |
C11—N3—C15 | 118.6 (3) | C13—C14—H14 | 120.6 |
C11—N3—Zn1 | 126.0 (3) | N4—C20—H20 | 118.6 |
C15—N3—Zn1 | 115.2 (2) | C19—C20—H20 | 118.6 |
C21—O2—Zn1 | 91.5 (2) | N1—C1—H1 | 118.9 |
C1—N1—C5 | 118.8 (3) | C2—C1—H1 | 118.9 |
C1—N1—Zn1 | 125.7 (3) | C5—C4—H4 | 120.4 |
C5—N1—Zn1 | 115.5 (2) | C3—C4—H4 | 120.4 |
C21—O1—Zn1 | 88.5 (2) | C16—C17—H17 | 120.2 |
C16—N4—C20 | 118.0 (3) | C18—C17—H17 | 120.2 |
C16—N4—Zn1 | 115.9 (2) | N3—C11—H11 | 118.7 |
C20—N4—Zn1 | 126.0 (3) | C12—C11—H11 | 118.7 |
N1—C5—C4 | 121.5 (4) | C3—C2—H2 | 120.4 |
N1—C5—C6 | 115.8 (3) | C1—C2—H2 | 120.4 |
C4—C5—C6 | 122.7 (4) | C20—C19—H19 | 120.5 |
O2—C21—O1 | 120.8 (4) | C18—C19—H19 | 120.5 |
O2—C21—C22 | 119.6 (4) | C8—C9—H9 | 120.6 |
O1—C21—C22 | 119.6 (4) | C10—C9—H9 | 120.6 |
O2—C21—Zn1 | 59.1 (2) | C11—C12—H12 | 120.4 |
O1—C21—Zn1 | 61.7 (2) | C13—C12—H12 | 120.4 |
C22—C21—Zn1 | 178.7 (3) | C8—C7—H7 | 120.2 |
N2—C6—C7 | 120.9 (4) | C6—C7—H7 | 120.2 |
N2—C6—C5 | 115.8 (3) | C19—C18—H18 | 120.5 |
C7—C6—C5 | 123.3 (4) | C17—C18—H18 | 120.5 |
N3—C15—C14 | 121.8 (3) | N2—C10—H10 | 119.0 |
N3—C15—C16 | 115.9 (3) | C9—C10—H10 | 119.0 |
C14—C15—C16 | 122.2 (4) | C21—C22—H22A | 109.5 |
N4—C16—C17 | 121.6 (3) | C21—C22—H22B | 109.5 |
N4—C16—C15 | 115.5 (3) | H22A—C22—H22B | 109.5 |
C17—C16—C15 | 122.9 (4) | C21—C22—H22C | 109.5 |
C15—C14—C13 | 118.8 (4) | H22A—C22—H22C | 109.5 |
N4—C20—C19 | 122.8 (4) | H22B—C22—H22C | 109.5 |
N1—C1—C2 | 122.3 (4) | C12—C13—H13 | 120.6 |
C5—C4—C3 | 119.1 (4) | C14—C13—H13 | 120.6 |
C16—C17—C18 | 119.7 (4) | C9—C8—H8 | 120.4 |
N3—C11—C12 | 122.7 (4) | C7—C8—H8 | 120.4 |
C3—C2—C1 | 119.1 (5) | C2—C3—H3 | 120.4 |
C20—C19—C18 | 119.0 (4) | C4—C3—H3 | 120.4 |
C8—C9—C10 | 118.9 (4) | | |
Comparative bond lengths (Å) for [Zn(OXO)L2]Y complexes topcompound | Zn—N1 | Zn—N2 | Zn—N3 | Zn—N4 | Zn—O1 | Zn—O2 |
[Zn(ONO)(bipy)2]NO3a | 2.077 (9) | 2.129 (9) | 2.151 (9) | 2.092 (9) | 2.223 (8) | 2.217 (9) |
[Zn(ONO)(bipy)2]ClO4b | 2.090 (4) | 2.129 (4) | 2.135 (4) | 2.085 (4) | 2.216 (5) | 2.197 (5) |
[Zn(ac)(bipy)2]Cl4.H2Oc | 2,131 (4) | 2.121 (5) | 2.127 (4) | 2.129 (4) | 2.246 (4) | 2.155 (4) |
[Zn(ac)(bipy)2][Mn(dca)3(H2O)]d | 2.115 (2) | 2.137 (2) | 2.121 (2) | 2.107 (2) | 2.347 (2) | 2.120 (1) |
[Zn(ac)(bipy)2]PF6.H2Oe | 2.125 (3) | 2.124 (3) | 2.136 (3) | 2.122 (3) | 2.226 (3) | 2.170 (3) |
[Zn(ac)(phen)2]BF4f | 2.091 (3) | 2.151 (3) | 2.148 (3) | 2.119 (3) | 2.293 (3) | 2.149 (3) |
[Zn(ac)(phen)2]BF4.2H2Og | 2.116 (2) | 2.147 (2) | 2.147 (2) | 2.116 (2) | 2.184 (2) | 2.184 (2) |
[Zn(ac)(phen)2]ClO4h | 2.135 (6) | 2.143 (6) | 2.160 (5) | 2.100 (5) | 2.296 (5) | 2.156 (5) |
Notes: (a) Walsh et al. (1981);
(b) Murphy et al. (2003);
(c) Chen, Xu & Mak (1994);
(d) Wang et al. (2003);
(e) this work;
(f) Rodrigues (2004)
(g) Fitzgerald et al. (1985);
(h) Chen, Xu, Yu & Mak (1994). |
Comparative bond angles (°) for [Zn(OXO)L2]Y complexes topcompound | N1—Zn—N2 | N3—Zn—N4 | O1—Zn—O2 |
[Zn(ONO)(bipy)2]NO3a | 77.94 | 78.53 | 56.5 |
[Zn(ONO)(bipy)2]ClO4b | 77.76 (16) | 77.88 (17) | 55.80 (18) |
[Zn(ac)(bipy)2]Cl4.H2Oc | 77.2 (2) | 77.8 (2) | 59.0 (1) |
[Zn(ac)(bipy)2][Mn(dca)3(H2O)]d | 77.03 (6) | 78.07 (6) | 58.29 (5) |
[Zn(ac)(bipy)2]PF6.H2O)e | 77.38 (12) | 77.18 (11) | 59.19 (10) |
[Zn(ac)(phen)2]BF4f | 78.94 (12) | 77.92 (12) | 58.12 (11) |
[Zn(ac)(phen)2]BF4.2H2Og | 78.47 | 78.47 | 57.2 |
[Zn(ac)(phen)2]ClO4h | 78.1 (2) | 78.6 (2) | 57.8 (2) |
Notes: (a) Walsh et al. (1981);
(b) Murphy et al. (2003);
(c) Chen, Xu & Mak (1994);
(d) Wang et al. (2003);
(e) this work;
(f) Rodrigues (2004)
(g) Fitzgerald et al. (1985);
(h) Chen, Xu, Yu & Mak (1994). |