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The title compound, [Ni(C
8H
6N
2)
3][Mo
6O
19], contains centrosymmetric [Mo
6O
19]
2− hexamolybdate anions, which are built up from distorted MoO
6 units by edge-sharing. The nickel atom in the [Ni(phen)
3]
2+ cation adopts distorted octahedral coordination with three
N,N′-bidentate 1,10-phenanthroline (phen) ligands. The crystal packing is stabilized by some weak π–π stacking interactions between neighboring phen ligands, and some C—H
O interactions. The Ni atom occupies a special position with twofold symmetry.
Supporting information
CCDC reference: 271878
Key indicators
- Single-crystal X-ray study
- T = 296 K
- Mean (C-C) = 0.006 Å
- R factor = 0.028
- wR factor = 0.079
- Data-to-parameter ratio = 14.1
checkCIF/PLATON results
No syntax errors found
Alert level C
PLAT232_ALERT_2_C Hirshfeld Test Diff (M-X) Mo2 - O7 .. 5.60 su
PLAT232_ALERT_2_C Hirshfeld Test Diff (M-X) Mo2 - O8 .. 5.20 su
PLAT432_ALERT_2_C Short Inter X...Y Contact O3 .. C1 .. 2.98 Ang.
PLAT764_ALERT_4_C Overcomplete CIF Bond List Detected (Rep/Expd) . 1.12 Ratio
0 ALERT level A = In general: serious problem
0 ALERT level B = Potentially serious problem
4 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
3 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
1 ALERT type 4 Improvement, methodology, query or suggestion
Data collection: SMART (Bruker, 1997); cell refinement: SAINT (Bruker, 1997); data reduction: SAINT; 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: SHELXL97.
Tris(1,10-phenanthroline)nickel(II) hexamolybdate
top
Crystal data top
[Ni(C8H6N2)3][Mo6O19] | F(000) = 2856 |
Mr = 1478.96 | Dx = 2.297 Mg m−3 |
Monoclinic, C2/c | Mo Kα radiation, λ = 0.71073 Å |
Hall symbol: -C 2yc | Cell parameters from 12088 reflections |
a = 19.0062 (18) Å | θ = 2.0–26.4° |
b = 11.2552 (11) Å | µ = 2.22 mm−1 |
c = 20.457 (2) Å | T = 296 K |
β = 102.273 (2)° | Block, orange |
V = 4276.1 (7) Å3 | 0.50 × 0.30 × 0.30 mm |
Z = 4 | |
Data collection top
Bruker SMART diffractometer | 4355 independent reflections |
Radiation source: fine-focus sealed tube | 3842 reflections with I > 2σ(I) |
Graphite monochromator | Rint = 0.042 |
ω scans | θmax = 26.4°, θmin = 2.0° |
Absorption correction: multi-scan (SADABS; Bruker, 1997) | h = −23→12 |
Tmin = 0.372, Tmax = 0.514 | k = −13→14 |
12088 measured reflections | l = −21→25 |
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) = 0.079 | H-atom parameters constrained |
S = 1.01 | w = 1/[σ2(Fo2) + (0.0444P)2 + 4P] where P = (Fo2 + 2Fc2)/3 |
4355 reflections | (Δ/σ)max = 0.007 |
309 parameters | Δρmax = 0.53 e Å−3 |
0 restraints | Δρmin = −0.87 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. |
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 | Uiso*/Ueq | |
Mo1 | 0.169589 (15) | 0.40497 (2) | 0.004129 (14) | 0.05030 (9) | |
Mo2 | 0.298387 (16) | 0.27536 (3) | 0.113300 (13) | 0.05603 (10) | |
Mo3 | 0.168609 (16) | 0.11630 (3) | 0.025235 (17) | 0.05679 (10) | |
Ni | 0.0000 | 0.48367 (5) | 0.2500 | 0.04690 (14) | |
O1 | 0.22321 (12) | 0.39540 (19) | 0.09440 (11) | 0.0537 (5) | |
O2 | 0.11858 (12) | 0.2666 (2) | 0.02223 (12) | 0.0553 (5) | |
O3 | 0.14806 (12) | 0.3553 (2) | −0.08873 (11) | 0.0586 (5) | |
O4 | 0.25264 (12) | 0.48345 (19) | −0.01701 (12) | 0.0598 (6) | |
O5 | 0.2500 | 0.2500 | 0.0000 | 0.0399 (6) | |
O6 | 0.11120 (15) | 0.5170 (2) | 0.00590 (14) | 0.0739 (7) | |
O7 | 0.22068 (13) | 0.1630 (2) | 0.11118 (11) | 0.0595 (6) | |
O8 | 0.35512 (12) | 0.3787 (2) | 0.07141 (12) | 0.0622 (6) | |
O9 | 0.33304 (16) | 0.2909 (3) | 0.19518 (12) | 0.0802 (8) | |
O10 | 0.10715 (16) | 0.0192 (2) | 0.04239 (16) | 0.0850 (9) | |
N1 | −0.00243 (13) | 0.6233 (2) | 0.31480 (12) | 0.0468 (5) | |
N2 | 0.02515 (18) | 0.3537 (2) | 0.32468 (15) | 0.0639 (8) | |
N3 | 0.11483 (14) | 0.4737 (2) | 0.26334 (13) | 0.0533 (6) | |
C1 | −0.01158 (17) | 0.6207 (4) | 0.37734 (16) | 0.0605 (9) | |
H1 | −0.0106 | 0.5477 | 0.3989 | 0.073* | |
C2 | −0.0226 (2) | 0.7233 (5) | 0.4118 (2) | 0.0757 (12) | |
H2 | −0.0310 | 0.7180 | 0.4548 | 0.091* | |
C3 | −0.0211 (2) | 0.8295 (5) | 0.3828 (3) | 0.0860 (15) | |
H3 | −0.0272 | 0.8983 | 0.4062 | 0.103* | |
C4 | −0.01010 (18) | 0.8375 (3) | 0.3170 (2) | 0.0699 (11) | |
C5 | −0.00311 (16) | 0.7301 (3) | 0.28404 (16) | 0.0491 (7) | |
C6 | −0.0057 (3) | 0.9454 (4) | 0.2810 (3) | 0.106 (2) | |
H6 | −0.0109 | 1.0177 | 0.3015 | 0.127* | |
C7 | −0.0185 (3) | 0.2940 (3) | 0.3548 (2) | 0.0821 (13) | |
H7 | −0.0675 | 0.3108 | 0.3437 | 0.098* | |
C8 | 0.0060 (4) | 0.2061 (4) | 0.4030 (2) | 0.0963 (18) | |
H8 | −0.0266 | 0.1648 | 0.4225 | 0.116* | |
C9 | 0.0770 (4) | 0.1820 (4) | 0.4208 (2) | 0.1001 (18) | |
H9 | 0.0933 | 0.1243 | 0.4530 | 0.120* | |
C10 | 0.1256 (3) | 0.2423 (3) | 0.39149 (19) | 0.0771 (13) | |
C11 | 0.2022 (3) | 0.2232 (4) | 0.4073 (2) | 0.0915 (16) | |
H11 | 0.2214 | 0.1673 | 0.4397 | 0.110* | |
C12 | 0.2456 (3) | 0.2828 (4) | 0.3773 (2) | 0.0865 (14) | |
H12 | 0.2948 | 0.2669 | 0.3886 | 0.104* | |
C13 | 0.2196 (2) | 0.3721 (3) | 0.32739 (17) | 0.0648 (9) | |
C14 | 0.2632 (2) | 0.4359 (4) | 0.2937 (2) | 0.0721 (10) | |
H14 | 0.3127 | 0.4233 | 0.3032 | 0.087* | |
C15 | 0.23354 (19) | 0.5164 (4) | 0.24700 (19) | 0.0672 (9) | |
H15 | 0.2623 | 0.5604 | 0.2244 | 0.081* | |
C16 | 0.15917 (18) | 0.5326 (3) | 0.23308 (17) | 0.0611 (8) | |
H16 | 0.1395 | 0.5880 | 0.2006 | 0.073* | |
C17 | 0.1444 (2) | 0.3926 (3) | 0.31064 (16) | 0.0551 (8) | |
C18 | 0.0973 (2) | 0.3291 (3) | 0.34284 (16) | 0.0613 (9) | |
Atomic displacement parameters (Å2) top | U11 | U22 | U33 | U12 | U13 | U23 |
Mo1 | 0.04793 (16) | 0.04618 (16) | 0.05574 (17) | 0.00436 (11) | 0.00870 (12) | −0.00194 (11) |
Mo2 | 0.05521 (18) | 0.0674 (2) | 0.04098 (15) | 0.00355 (13) | 0.00024 (12) | −0.00701 (12) |
Mo3 | 0.05405 (18) | 0.04767 (17) | 0.0729 (2) | −0.01450 (12) | 0.02302 (14) | −0.00249 (13) |
Ni | 0.0541 (3) | 0.0414 (3) | 0.0492 (3) | 0.000 | 0.0199 (2) | 0.000 |
O1 | 0.0560 (13) | 0.0555 (13) | 0.0488 (12) | −0.0012 (10) | 0.0092 (10) | −0.0109 (9) |
O2 | 0.0432 (11) | 0.0607 (13) | 0.0634 (13) | −0.0056 (9) | 0.0145 (10) | −0.0051 (10) |
O3 | 0.0553 (13) | 0.0672 (14) | 0.0491 (12) | 0.0107 (11) | 0.0013 (10) | 0.0038 (10) |
O4 | 0.0682 (15) | 0.0421 (11) | 0.0725 (15) | −0.0056 (10) | 0.0227 (12) | 0.0019 (10) |
O5 | 0.0389 (14) | 0.0401 (14) | 0.0392 (13) | −0.0042 (11) | 0.0051 (11) | −0.0001 (11) |
O6 | 0.0714 (16) | 0.0682 (16) | 0.0817 (17) | 0.0234 (13) | 0.0155 (13) | −0.0026 (13) |
O7 | 0.0682 (14) | 0.0601 (13) | 0.0532 (12) | −0.0012 (12) | 0.0199 (11) | 0.0094 (10) |
O8 | 0.0491 (12) | 0.0656 (15) | 0.0687 (15) | −0.0168 (11) | 0.0052 (11) | −0.0175 (11) |
O9 | 0.0800 (18) | 0.106 (2) | 0.0462 (13) | 0.0170 (16) | −0.0049 (12) | −0.0143 (13) |
O10 | 0.0862 (19) | 0.0663 (16) | 0.116 (2) | −0.0313 (14) | 0.0526 (18) | −0.0124 (15) |
N1 | 0.0441 (13) | 0.0516 (14) | 0.0429 (12) | 0.0023 (11) | 0.0050 (10) | −0.0051 (10) |
N2 | 0.089 (2) | 0.0464 (14) | 0.0685 (17) | 0.0106 (15) | 0.0453 (16) | 0.0094 (13) |
N3 | 0.0563 (15) | 0.0557 (15) | 0.0504 (14) | 0.0093 (12) | 0.0169 (12) | 0.0083 (12) |
C1 | 0.0481 (17) | 0.087 (3) | 0.0443 (17) | 0.0016 (16) | 0.0055 (14) | −0.0098 (16) |
C2 | 0.0476 (19) | 0.114 (4) | 0.064 (2) | 0.001 (2) | 0.0094 (16) | −0.041 (2) |
C3 | 0.052 (2) | 0.098 (3) | 0.103 (3) | 0.005 (2) | 0.005 (2) | −0.061 (3) |
C4 | 0.0488 (18) | 0.055 (2) | 0.099 (3) | 0.0037 (16) | −0.0003 (18) | −0.027 (2) |
C5 | 0.0376 (15) | 0.0464 (16) | 0.0588 (17) | 0.0025 (12) | −0.0001 (13) | −0.0080 (13) |
C6 | 0.090 (3) | 0.046 (2) | 0.169 (6) | 0.003 (2) | 0.001 (4) | −0.023 (2) |
C7 | 0.114 (3) | 0.054 (2) | 0.099 (3) | 0.013 (2) | 0.072 (3) | 0.012 (2) |
C8 | 0.162 (5) | 0.057 (2) | 0.097 (3) | 0.017 (3) | 0.090 (4) | 0.021 (2) |
C9 | 0.178 (6) | 0.061 (2) | 0.082 (3) | 0.039 (3) | 0.073 (3) | 0.023 (2) |
C10 | 0.130 (4) | 0.0507 (19) | 0.056 (2) | 0.026 (2) | 0.032 (2) | 0.0067 (15) |
C11 | 0.131 (4) | 0.073 (3) | 0.064 (2) | 0.045 (3) | 0.006 (3) | 0.009 (2) |
C12 | 0.098 (3) | 0.078 (3) | 0.073 (3) | 0.037 (3) | −0.005 (2) | −0.001 (2) |
C13 | 0.075 (2) | 0.063 (2) | 0.0514 (18) | 0.0233 (18) | 0.0027 (17) | −0.0104 (15) |
C14 | 0.058 (2) | 0.081 (3) | 0.071 (2) | 0.0130 (19) | 0.0021 (18) | −0.019 (2) |
C15 | 0.0538 (19) | 0.081 (3) | 0.068 (2) | −0.0015 (18) | 0.0160 (17) | −0.0056 (19) |
C16 | 0.0568 (19) | 0.074 (2) | 0.0539 (18) | 0.0027 (17) | 0.0136 (15) | 0.0099 (16) |
C17 | 0.074 (2) | 0.0468 (17) | 0.0461 (16) | 0.0163 (15) | 0.0160 (15) | −0.0029 (12) |
C18 | 0.097 (3) | 0.0452 (17) | 0.0487 (17) | 0.0229 (17) | 0.0305 (17) | 0.0050 (13) |
Geometric parameters (Å, º) top
Mo1—O6 | 1.685 (2) | N3—C16 | 1.324 (4) |
Mo1—O2 | 1.912 (2) | N3—C17 | 1.362 (4) |
Mo1—O1 | 1.913 (2) | C1—C2 | 1.392 (5) |
Mo1—O4 | 1.936 (2) | C1—H1 | 0.9300 |
Mo1—O3 | 1.938 (2) | C2—C3 | 1.338 (7) |
Mo1—O5 | 2.3324 (3) | C2—H2 | 0.9300 |
Mo2—O9 | 1.674 (2) | C3—C4 | 1.407 (6) |
Mo2—O8 | 1.908 (2) | C3—H3 | 0.9300 |
Mo2—O3i | 1.916 (2) | C4—C5 | 1.404 (4) |
Mo2—O7 | 1.938 (2) | C4—C6 | 1.433 (6) |
Mo2—O1 | 1.945 (2) | C5—C5ii | 1.423 (7) |
Mo2—O5 | 2.3223 (3) | C6—C6ii | 1.331 (12) |
Mo3—O10 | 1.690 (2) | C6—H6 | 0.9300 |
Mo3—O7 | 1.899 (2) | C7—C8 | 1.404 (6) |
Mo3—O4i | 1.907 (2) | C7—H7 | 0.9300 |
Mo3—O8i | 1.933 (2) | C8—C9 | 1.348 (8) |
Mo3—O2 | 1.935 (2) | C8—H8 | 0.9300 |
Mo3—O5 | 2.2942 (3) | C9—C10 | 1.382 (7) |
Ni—N1ii | 2.063 (2) | C9—H9 | 0.9300 |
Ni—N1 | 2.063 (2) | C10—C18 | 1.416 (5) |
Ni—N2ii | 2.096 (3) | C10—C11 | 1.438 (8) |
Ni—N2 | 2.096 (3) | C11—C12 | 1.313 (7) |
Ni—N3ii | 2.144 (3) | C11—H11 | 0.9300 |
Ni—N3 | 2.144 (3) | C12—C13 | 1.444 (6) |
O3—Mo2i | 1.916 (2) | C12—H12 | 0.9300 |
O4—Mo3i | 1.907 (2) | C13—C14 | 1.386 (6) |
O5—Mo3i | 2.2942 (3) | C13—C17 | 1.416 (5) |
O5—Mo2i | 2.3223 (3) | C14—C15 | 1.350 (6) |
O5—Mo1i | 2.3324 (3) | C14—H14 | 0.9300 |
O8—Mo3i | 1.933 (2) | C15—C16 | 1.393 (5) |
N1—C1 | 1.328 (4) | C15—H15 | 0.9300 |
N1—C5 | 1.356 (4) | C16—H16 | 0.9300 |
N2—C7 | 1.317 (5) | C17—C18 | 1.413 (5) |
N2—C18 | 1.371 (5) | | |
| | | |
O6—Mo1—O2 | 104.00 (12) | Mo2i—O5—Mo1 | 90.261 (11) |
O6—Mo1—O1 | 103.85 (12) | Mo2—O5—Mo1 | 89.739 (11) |
O2—Mo1—O1 | 87.43 (10) | Mo3—O5—Mo1i | 89.769 (13) |
O6—Mo1—O4 | 103.61 (12) | Mo3i—O5—Mo1i | 90.231 (13) |
O2—Mo1—O4 | 152.37 (10) | Mo2i—O5—Mo1i | 89.739 (11) |
O1—Mo1—O4 | 87.08 (10) | Mo2—O5—Mo1i | 90.260 (11) |
O6—Mo1—O3 | 103.53 (12) | Mo1—O5—Mo1i | 180.000 (14) |
O2—Mo1—O3 | 86.84 (11) | Mo3—O7—Mo2 | 116.48 (11) |
O1—Mo1—O3 | 152.60 (9) | Mo2—O8—Mo3i | 116.48 (11) |
O4—Mo1—O3 | 85.69 (10) | C1—N1—C5 | 118.5 (3) |
O6—Mo1—O5 | 179.18 (10) | C1—N1—Ni | 128.9 (2) |
O2—Mo1—O5 | 76.18 (7) | C5—N1—Ni | 112.13 (19) |
O1—Mo1—O5 | 76.95 (6) | C7—N2—C18 | 117.6 (3) |
O4—Mo1—O5 | 76.20 (7) | C7—N2—Ni | 128.9 (3) |
O3—Mo1—O5 | 75.67 (7) | C18—N2—Ni | 113.5 (2) |
O9—Mo2—O8 | 104.23 (13) | C16—N3—C17 | 117.4 (3) |
O9—Mo2—O3i | 103.01 (12) | C16—N3—Ni | 130.2 (2) |
O8—Mo2—O3i | 88.14 (11) | C17—N3—Ni | 112.4 (2) |
O9—Mo2—O7 | 103.10 (13) | N1—C1—C2 | 122.3 (4) |
O8—Mo2—O7 | 152.66 (9) | N1—C1—H1 | 118.9 |
O3i—Mo2—O7 | 86.44 (11) | C2—C1—H1 | 118.9 |
O9—Mo2—O1 | 104.02 (12) | C3—C2—C1 | 119.8 (4) |
O8—Mo2—O1 | 87.07 (10) | C3—C2—H2 | 120.1 |
O3i—Mo2—O1 | 152.90 (9) | C1—C2—H2 | 120.1 |
O7—Mo2—O1 | 85.68 (10) | C2—C3—C4 | 120.1 (4) |
O9—Mo2—O5 | 178.94 (11) | C2—C3—H3 | 119.9 |
O8—Mo2—O5 | 76.61 (7) | C4—C3—H3 | 119.9 |
O3i—Mo2—O5 | 76.32 (6) | C5—C4—C3 | 117.0 (4) |
O7—Mo2—O5 | 76.07 (7) | C5—C4—C6 | 117.4 (4) |
O1—Mo2—O5 | 76.62 (6) | C3—C4—C6 | 125.6 (4) |
O10—Mo3—O7 | 103.52 (13) | N1—C5—C4 | 122.2 (3) |
O10—Mo3—O4i | 103.17 (13) | N1—C5—C5ii | 117.37 (16) |
O7—Mo3—O4i | 88.87 (10) | C4—C5—C5ii | 120.5 (2) |
O10—Mo3—O8i | 102.13 (13) | C6ii—C6—C4 | 122.0 (3) |
O7—Mo3—O8i | 154.31 (10) | C6ii—C6—H6 | 119.0 |
O4i—Mo3—O8i | 86.78 (11) | C4—C6—H6 | 119.0 |
O10—Mo3—O2 | 102.43 (12) | N2—C7—C8 | 122.7 (5) |
O7—Mo3—O2 | 86.75 (10) | N2—C7—H7 | 118.7 |
O4i—Mo3—O2 | 154.35 (9) | C8—C7—H7 | 118.7 |
O8i—Mo3—O2 | 86.31 (11) | C9—C8—C7 | 119.7 (4) |
O10—Mo3—O5 | 178.66 (12) | C9—C8—H8 | 120.2 |
O7—Mo3—O5 | 77.48 (7) | C7—C8—H8 | 120.2 |
O4i—Mo3—O5 | 77.70 (7) | C8—C9—C10 | 120.5 (4) |
O8i—Mo3—O5 | 76.85 (7) | C8—C9—H9 | 119.8 |
O2—Mo3—O5 | 76.68 (7) | C10—C9—H9 | 119.8 |
N1ii—Ni—N1 | 80.73 (14) | C9—C10—C18 | 117.0 (5) |
N1ii—Ni—N2ii | 95.53 (10) | C9—C10—C11 | 124.5 (4) |
N1—Ni—N2ii | 165.34 (11) | C18—C10—C11 | 118.5 (4) |
N1ii—Ni—N2 | 165.34 (11) | C12—C11—C10 | 121.7 (4) |
N1—Ni—N2 | 95.53 (10) | C12—C11—H11 | 119.2 |
N2ii—Ni—N2 | 91.46 (17) | C10—C11—H11 | 119.2 |
N1ii—Ni—N3ii | 96.85 (10) | C11—C12—C13 | 122.1 (5) |
N1—Ni—N3ii | 87.73 (10) | C11—C12—H12 | 118.9 |
N2ii—Ni—N3ii | 78.60 (11) | C13—C12—H12 | 118.9 |
N2—Ni—N3ii | 97.16 (11) | C14—C13—C17 | 118.3 (3) |
N1ii—Ni—N3 | 87.73 (10) | C14—C13—C12 | 124.2 (4) |
N1—Ni—N3 | 96.85 (10) | C17—C13—C12 | 117.4 (4) |
N2ii—Ni—N3 | 97.16 (11) | C15—C14—C13 | 119.7 (4) |
N2—Ni—N3 | 78.60 (11) | C15—C14—H14 | 120.1 |
N3ii—Ni—N3 | 174.01 (15) | C13—C14—H14 | 120.1 |
Mo1—O1—Mo2 | 116.69 (10) | C14—C15—C16 | 119.1 (4) |
Mo1—O2—Mo3 | 116.89 (11) | C14—C15—H15 | 120.5 |
Mo2i—O3—Mo1 | 117.72 (11) | C16—C15—H15 | 120.5 |
Mo3i—O4—Mo1 | 116.33 (11) | N3—C16—C15 | 123.9 (3) |
Mo3—O5—Mo3i | 180.000 (16) | N3—C16—H16 | 118.1 |
Mo3—O5—Mo2i | 90.059 (12) | C15—C16—H16 | 118.1 |
Mo3i—O5—Mo2i | 89.941 (12) | N3—C17—C13 | 121.6 (3) |
Mo3—O5—Mo2 | 89.941 (12) | N3—C17—C18 | 117.6 (3) |
Mo3i—O5—Mo2 | 90.059 (12) | C13—C17—C18 | 120.8 (3) |
Mo2i—O5—Mo2 | 180.000 (5) | N2—C18—C17 | 117.9 (3) |
Mo3—O5—Mo1 | 90.231 (13) | N2—C18—C10 | 122.6 (4) |
Mo3i—O5—Mo1 | 89.769 (13) | C17—C18—C10 | 119.5 (4) |
Symmetry codes: (i) −x+1/2, −y+1/2, −z; (ii) −x, y, −z+1/2. |
Hydrogen-bond geometry (Å, º) top
D—H···A | D—H | H···A | D···A | D—H···A |
C8—H8···O10ii | 0.93 | 2.45 | 3.364 (7) | 167 |
C9—H9···O10iii | 0.93 | 2.41 | 3.322 (5) | 166 |
C11—H11···O4iv | 0.93 | 2.59 | 3.498 (5) | 166 |
Symmetry codes: (ii) −x, y, −z+1/2; (iii) x, −y, z+1/2; (iv) −x+1/2, y−1/2, −z+1/2. |
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