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The crystal structure of 2-chloro-1-(2,4,5-trichlorophenyl)vinyl dimethyl phosphate (also known as Tetrachlorvinphos, Stirofos, and Gardona®), C10H9Cl4O4P, contains two molecules per asymmetric unit. In one of the molecules, three O atoms of the phosphate group are disordered. Increased precision is presented compared to a previously reported structure.
Supporting information
CCDC reference: 620746
Key indicators
- Single-crystal X-ray study
- T = 295 K
- Mean (C-C) = 0.004 Å
- Disorder in main residue
- R factor = 0.043
- wR factor = 0.116
- Data-to-parameter ratio = 13.6
checkCIF/PLATON results
No syntax errors found
Alert level A
PLAT772_ALERT_2_A Suspect O-H Bond in CIF: O3AA -H9AF .. 1.31 Ang.
| Author Response: This is an artifact of the disorder of the oxygen
atoms bonded to the methyl groups.
|
PLAT772_ALERT_2_A Suspect O-H Bond in CIF: O4AA -H10F .. 1.34 Ang.
| Author Response: This is an artifact of the disorder of the oxygen
atoms bonded to the methyl groups.
|
PLAT772_ALERT_2_A Suspect O-H Bond in CIF: O3AB -H9AC .. 1.30 Ang.
| Author Response: This is an artifact of the disorder of the oxygen
atoms bonded to the methyl groups.
|
PLAT772_ALERT_2_A Suspect O-H Bond in CIF: O4AB -H10C .. 1.33 Ang.
| Author Response: This is an artifact of the disorder of the oxygen
atoms bonded to the methyl groups.
|
Alert level C
PLAT031_ALERT_4_C Refined Extinction Parameter within Range ...... 3.17 Sigma
PLAT241_ALERT_2_C Check High Ueq as Compared to Neighbors for C9A
PLAT241_ALERT_2_C Check High Ueq as Compared to Neighbors for C10A
PLAT242_ALERT_2_C Check Low Ueq as Compared to Neighbors for O3AB
PLAT301_ALERT_3_C Main Residue Disorder ......................... 7.00 Perc.
PLAT431_ALERT_2_C Short Inter HL..A Contact Cl4A .. O3B .. 3.10 Ang.
PLAT431_ALERT_2_C Short Inter HL..A Contact Cl4B .. O1AB .. 3.15 Ang.
PLAT720_ALERT_4_C Number of Unusual/Non-Standard Label(s) ........ 15
PLAT764_ALERT_4_C Overcomplete CIF Bond List Detected (Rep/Expd) . 1.14 Ratio
4 ALERT level A = In general: serious problem
0 ALERT level B = Potentially serious problem
9 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
9 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
Data collection: XSCANS (Bruker, 1996); cell refinement: XSCANS; data reduction: XSCANS; program(s) used to solve structure: SHELXS86 (Sheldrick, 1990a); program(s) used to refine structure: SHELXL97 (Sheldrick, 1997); molecular graphics: SHELXTL/PC (Sheldrick, 1990b); software used to prepare material for publication: SHELXTL/PC and SHELXL97.
2-Chloro-1-(2,4,5-trichlorophenyl)vinyl dimethyl phosphate
top
Crystal data top
C10H9Cl4O4P | Z = 4 |
Mr = 365.96 | F(000) = 736 |
Triclinic, P1 | Dx = 1.678 Mg m−3 |
Hall symbol: -P 1 | Mo Kα radiation, λ = 0.71073 Å |
a = 6.9371 (5) Å | Cell parameters from 100 reflections |
b = 14.0202 (11) Å | θ = 10.0–21.0° |
c = 15.1206 (12) Å | µ = 0.93 mm−1 |
α = 98.986 (5)° | T = 295 K |
β = 93.986 (6)° | Block cut from larger crystal, colorless |
γ = 90.256 (6)° | 0.58 × 0.53 × 0.32 mm |
V = 1448.88 (19) Å3 | |
Data collection top
Bruker P4 diffractometer | 4239 reflections with I > 2σ(I) |
Radiation source: normal-focus sealed tube | Rint = 0.032 |
Graphite monochromator | θmax = 25.0°, θmin = 2.7° |
θ/2θ scans | h = −1→8 |
Absorption correction: integration (XSHELL; Bruker, 1999) | k = −16→16 |
Tmin = 0.58, Tmax = 0.74 | l = −17→17 |
6417 measured reflections | 3 standard reflections every 100 reflections |
5061 independent reflections | intensity decay: 3.9% |
Refinement top
Refinement on F2 | Secondary atom site location: difference Fourier map |
Least-squares matrix: full | Hydrogen site location: inferred from neighbouring sites |
R[F2 > 2σ(F2)] = 0.043 | H-atom parameters constrained |
wR(F2) = 0.116 | w = 1/[σ2(Fo2) + (0.0427P)2 + 1.5005P] where P = (Fo2 + 2Fc2)/3 |
S = 1.12 | (Δ/σ)max = 0.001 |
5061 reflections | Δρmax = 0.41 e Å−3 |
372 parameters | Δρmin = −0.32 e Å−3 |
0 restraints | Extinction correction: SHELXL97, Fc*=kFc[1+0.001xFc2λ3/sin(2θ)]-1/4 |
Primary atom site location: structure-invariant direct methods | Extinction coefficient: 0.0019 (6) |
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 | Occ. (<1) |
Cl1A | 0.29804 (17) | 0.43391 (8) | 0.58936 (7) | 0.0658 (3) | |
Cl2A | 0.94006 (12) | 0.38073 (8) | 0.75885 (6) | 0.0581 (3) | |
Cl4A | 0.81913 (16) | 0.38972 (8) | 1.10467 (6) | 0.0624 (3) | |
Cl5A | 0.36620 (15) | 0.37047 (8) | 1.05535 (6) | 0.0590 (3) | |
P1A | 0.45201 (13) | 0.18323 (6) | 0.66059 (6) | 0.0404 (2) | |
O2A | 0.5450 (3) | 0.28809 (15) | 0.66127 (14) | 0.0380 (5) | |
O1AA | 0.2748 (9) | 0.1849 (4) | 0.7044 (4) | 0.0729 (18) | 0.594 (5) |
O3AA | 0.6102 (8) | 0.1259 (3) | 0.7034 (3) | 0.0674 (16) | 0.594 (5) |
O4AA | 0.4488 (6) | 0.1424 (3) | 0.5590 (3) | 0.0494 (12) | 0.594 (5) |
O1AB | 0.3990 (12) | 0.1642 (5) | 0.7485 (5) | 0.059 (2) | 0.406 (5) |
O3AB | 0.6109 (8) | 0.1164 (4) | 0.6152 (4) | 0.0445 (17) | 0.406 (5) |
O4AB | 0.2807 (8) | 0.1728 (5) | 0.5904 (4) | 0.0547 (19) | 0.406 (5) |
C1A | 0.5790 (4) | 0.3705 (2) | 0.8168 (2) | 0.0341 (6) | |
C2A | 0.7781 (4) | 0.3770 (2) | 0.8408 (2) | 0.0390 (7) | |
C3A | 0.8504 (5) | 0.3837 (2) | 0.9286 (2) | 0.0440 (8) | |
H3A | 0.9830 | 0.3888 | 0.9429 | 0.053* | |
C4A | 0.7253 (5) | 0.3826 (2) | 0.9951 (2) | 0.0424 (8) | |
C5A | 0.5270 (5) | 0.3749 (2) | 0.9736 (2) | 0.0401 (7) | |
C6A | 0.4566 (4) | 0.3686 (2) | 0.8849 (2) | 0.0380 (7) | |
H6A | 0.3240 | 0.3630 | 0.8708 | 0.046* | |
C7A | 0.4988 (4) | 0.3676 (2) | 0.7234 (2) | 0.0340 (7) | |
C8A | 0.3956 (5) | 0.4380 (2) | 0.6977 (2) | 0.0421 (8) | |
H8A | 0.3744 | 0.4922 | 0.7396 | 0.050* | |
C9A | 0.7961 (7) | 0.1091 (4) | 0.6671 (4) | 0.0843 (15) | |
H9AA | 0.8723 | 0.0703 | 0.7028 | 0.126* | 0.594 (5) |
H9AB | 0.8613 | 0.1698 | 0.6678 | 0.126* | 0.594 (5) |
H9AC | 0.7784 | 0.0760 | 0.6065 | 0.126* | 0.594 (5) |
H9AD | 0.8797 | 0.0664 | 0.6321 | 0.126* | 0.406 (5) |
H9AE | 0.8561 | 0.1719 | 0.6823 | 0.126* | 0.406 (5) |
H9AF | 0.7730 | 0.0841 | 0.7211 | 0.126* | 0.406 (5) |
C10A | 0.2982 (7) | 0.1670 (4) | 0.4959 (3) | 0.0745 (13) | |
H10A | 0.3180 | 0.1332 | 0.4370 | 0.112* | 0.594 (5) |
H10B | 0.3018 | 0.2353 | 0.4953 | 0.112* | 0.594 (5) |
H10C | 0.1748 | 0.1487 | 0.5136 | 0.112* | 0.594 (5) |
H10D | 0.1724 | 0.1607 | 0.4648 | 0.112* | 0.406 (5) |
H10E | 0.3613 | 0.2244 | 0.4846 | 0.112* | 0.406 (5) |
H10F | 0.3736 | 0.1117 | 0.4752 | 0.112* | 0.406 (5) |
Cl1B | 0.73932 (18) | 0.06666 (8) | 0.40238 (7) | 0.0682 (3) | |
Cl2B | 1.33037 (13) | 0.12445 (9) | 0.22898 (7) | 0.0665 (3) | |
Cl4B | 1.09331 (16) | 0.14379 (8) | −0.11064 (6) | 0.0618 (3) | |
Cl5B | 0.65548 (15) | 0.12346 (8) | −0.06428 (6) | 0.0617 (3) | |
P1B | 0.89232 (12) | 0.31276 (6) | 0.33664 (5) | 0.0382 (2) | |
O1B | 0.6932 (4) | 0.3157 (2) | 0.30124 (19) | 0.0610 (7) | |
O2B | 0.9755 (3) | 0.20603 (15) | 0.33087 (14) | 0.0387 (5) | |
O3B | 1.0321 (4) | 0.36908 (19) | 0.28766 (17) | 0.0576 (7) | |
O4B | 0.9426 (4) | 0.35324 (18) | 0.43774 (15) | 0.0507 (6) | |
C1B | 0.9493 (4) | 0.1286 (2) | 0.1737 (2) | 0.0358 (7) | |
C2B | 1.1401 (5) | 0.1302 (2) | 0.1499 (2) | 0.0413 (7) | |
C3B | 1.1807 (5) | 0.1336 (3) | 0.0624 (2) | 0.0463 (8) | |
H3B | 1.3085 | 0.1362 | 0.0479 | 0.056* | |
C4B | 1.0328 (5) | 0.1334 (2) | −0.0037 (2) | 0.0417 (7) | |
C5B | 0.8435 (5) | 0.1274 (2) | 0.0183 (2) | 0.0420 (7) | |
C6B | 0.8028 (5) | 0.1263 (2) | 0.1059 (2) | 0.0408 (7) | |
H6B | 0.6747 | 0.1239 | 0.1200 | 0.049* | |
C7B | 0.9009 (4) | 0.1293 (2) | 0.2679 (2) | 0.0363 (7) | |
C8B | 0.7993 (5) | 0.0610 (2) | 0.2937 (2) | 0.0449 (8) | |
H8B | 0.7584 | 0.0078 | 0.2517 | 0.054* | |
C9B | 1.2368 (7) | 0.3814 (4) | 0.3135 (4) | 0.0767 (13) | |
H9BA | 1.3017 | 0.4013 | 0.2652 | 0.115* | |
H9BB | 1.2886 | 0.3213 | 0.3264 | 0.115* | |
H9BC | 1.2556 | 0.4297 | 0.3659 | 0.115* | |
C10B | 0.8165 (8) | 0.3361 (4) | 0.5047 (3) | 0.0763 (13) | |
H10G | 0.8112 | 0.3932 | 0.5487 | 0.114* | |
H10H | 0.8644 | 0.2836 | 0.5333 | 0.114* | |
H10I | 0.6893 | 0.3200 | 0.4771 | 0.114* | |
Atomic displacement parameters (Å2) top | U11 | U22 | U33 | U12 | U13 | U23 |
Cl1A | 0.0794 (7) | 0.0671 (6) | 0.0483 (5) | 0.0158 (5) | −0.0170 (5) | 0.0100 (5) |
Cl2A | 0.0326 (4) | 0.0965 (7) | 0.0423 (5) | −0.0097 (4) | 0.0074 (3) | 0.0000 (5) |
Cl4A | 0.0731 (7) | 0.0785 (7) | 0.0325 (4) | 0.0108 (5) | −0.0069 (4) | 0.0034 (4) |
Cl5A | 0.0639 (6) | 0.0716 (6) | 0.0432 (5) | −0.0062 (5) | 0.0207 (4) | 0.0069 (4) |
P1A | 0.0451 (5) | 0.0398 (5) | 0.0349 (4) | −0.0045 (4) | 0.0037 (4) | 0.0011 (3) |
O2A | 0.0405 (12) | 0.0382 (12) | 0.0338 (11) | −0.0025 (9) | 0.0057 (9) | −0.0004 (9) |
O1AA | 0.072 (4) | 0.067 (3) | 0.076 (4) | −0.023 (3) | 0.035 (3) | −0.012 (3) |
O3AA | 0.094 (4) | 0.054 (3) | 0.055 (3) | 0.010 (3) | −0.008 (3) | 0.017 (2) |
O4AA | 0.051 (3) | 0.055 (3) | 0.037 (2) | 0.0006 (19) | −0.0046 (18) | −0.0035 (18) |
O1AB | 0.071 (5) | 0.059 (4) | 0.047 (4) | −0.015 (4) | 0.016 (4) | 0.006 (3) |
O3AB | 0.040 (3) | 0.049 (3) | 0.041 (3) | 0.010 (3) | −0.003 (2) | −0.003 (3) |
O4AB | 0.035 (3) | 0.061 (4) | 0.061 (4) | −0.006 (3) | −0.006 (3) | −0.007 (3) |
C1A | 0.0308 (15) | 0.0344 (16) | 0.0356 (16) | −0.0019 (12) | −0.0005 (12) | 0.0022 (12) |
C2A | 0.0318 (16) | 0.0462 (18) | 0.0367 (17) | −0.0018 (13) | 0.0044 (13) | −0.0011 (14) |
C3A | 0.0360 (17) | 0.052 (2) | 0.0403 (18) | 0.0001 (15) | −0.0031 (14) | −0.0016 (15) |
C4A | 0.050 (2) | 0.0436 (18) | 0.0310 (16) | 0.0071 (15) | −0.0015 (14) | 0.0007 (14) |
C5A | 0.0466 (19) | 0.0389 (17) | 0.0350 (16) | −0.0024 (14) | 0.0105 (14) | 0.0031 (13) |
C6A | 0.0308 (16) | 0.0431 (17) | 0.0394 (17) | −0.0024 (13) | 0.0047 (13) | 0.0030 (14) |
C7A | 0.0292 (15) | 0.0375 (16) | 0.0337 (15) | −0.0051 (12) | 0.0051 (12) | −0.0005 (13) |
C8A | 0.0402 (18) | 0.0465 (19) | 0.0367 (17) | 0.0000 (15) | −0.0031 (14) | 0.0005 (14) |
C9A | 0.071 (3) | 0.081 (3) | 0.097 (4) | 0.027 (3) | −0.015 (3) | 0.013 (3) |
C10A | 0.076 (3) | 0.086 (3) | 0.053 (2) | 0.006 (2) | −0.024 (2) | −0.002 (2) |
Cl1B | 0.0947 (8) | 0.0611 (6) | 0.0518 (6) | −0.0150 (5) | 0.0307 (5) | 0.0073 (5) |
Cl2B | 0.0315 (4) | 0.1125 (9) | 0.0526 (5) | 0.0088 (5) | −0.0013 (4) | 0.0054 (5) |
Cl4B | 0.0745 (7) | 0.0731 (6) | 0.0398 (5) | 0.0091 (5) | 0.0196 (4) | 0.0080 (4) |
Cl5B | 0.0550 (6) | 0.0819 (7) | 0.0446 (5) | 0.0092 (5) | −0.0088 (4) | 0.0038 (5) |
P1B | 0.0375 (4) | 0.0412 (5) | 0.0341 (4) | 0.0007 (3) | −0.0023 (3) | 0.0029 (3) |
O1B | 0.0453 (14) | 0.0642 (17) | 0.0662 (17) | 0.0114 (12) | −0.0157 (13) | −0.0037 (13) |
O2B | 0.0364 (12) | 0.0408 (12) | 0.0373 (12) | −0.0004 (9) | −0.0033 (9) | 0.0037 (9) |
O3B | 0.0686 (17) | 0.0577 (15) | 0.0491 (15) | −0.0129 (13) | −0.0016 (13) | 0.0188 (12) |
O4B | 0.0506 (14) | 0.0614 (15) | 0.0357 (12) | −0.0015 (12) | 0.0009 (11) | −0.0047 (11) |
C1B | 0.0360 (16) | 0.0326 (16) | 0.0383 (17) | 0.0004 (13) | 0.0054 (13) | 0.0031 (13) |
C2B | 0.0311 (16) | 0.0494 (19) | 0.0418 (17) | −0.0004 (14) | 0.0026 (13) | 0.0024 (15) |
C3B | 0.0350 (17) | 0.055 (2) | 0.049 (2) | 0.0002 (15) | 0.0131 (15) | 0.0045 (16) |
C4B | 0.0490 (19) | 0.0378 (17) | 0.0385 (17) | 0.0027 (14) | 0.0107 (15) | 0.0034 (14) |
C5B | 0.0416 (18) | 0.0429 (18) | 0.0393 (18) | 0.0063 (14) | −0.0009 (14) | 0.0014 (14) |
C6B | 0.0314 (16) | 0.0457 (18) | 0.0440 (18) | 0.0024 (14) | 0.0040 (14) | 0.0023 (14) |
C7B | 0.0309 (15) | 0.0368 (16) | 0.0401 (17) | 0.0033 (13) | 0.0035 (13) | 0.0027 (13) |
C8B | 0.048 (2) | 0.0444 (19) | 0.0413 (18) | −0.0040 (15) | 0.0126 (15) | −0.0006 (15) |
C9B | 0.062 (3) | 0.080 (3) | 0.091 (3) | −0.023 (2) | 0.010 (2) | 0.021 (3) |
C10B | 0.091 (3) | 0.091 (3) | 0.046 (2) | −0.003 (3) | 0.023 (2) | 0.001 (2) |
Geometric parameters (Å, º) top
Cl1A—C8A | 1.720 (3) | C9A—H9AC | 0.96 |
Cl2A—C2A | 1.736 (3) | C9A—H9AD | 0.96 |
Cl4A—C4A | 1.726 (3) | C9A—H9AE | 0.96 |
Cl5A—C5A | 1.730 (3) | C9A—H9AF | 0.96 |
P1A—O1AA | 1.436 (5) | C10A—H10A | 0.96 |
P1A—O1AB | 1.467 (7) | C10A—H10B | 0.96 |
P1A—O4AB | 1.528 (6) | C10A—H10C | 0.96 |
P1A—O3AA | 1.530 (5) | C10A—H10D | 0.96 |
P1A—O4AA | 1.553 (4) | C10A—H10E | 0.96 |
P1A—O3AB | 1.574 (5) | C10A—H10F | 0.96 |
P1A—O2A | 1.601 (2) | Cl1B—C8B | 1.714 (3) |
P1A—H3A | 5.83 | Cl2B—C2B | 1.730 (3) |
P1A—H6A | 3.89 | Cl4B—C4B | 1.726 (3) |
O2A—C7A | 1.395 (4) | Cl5B—C5B | 1.736 (3) |
O1AA—O1AB | 1.120 (9) | P1B—O1B | 1.449 (3) |
O1AA—O4AB | 1.710 (9) | P1B—O3B | 1.545 (3) |
O3AA—O3AB | 1.321 (7) | P1B—O4B | 1.560 (2) |
O3AA—C9A | 1.443 (7) | P1B—O2B | 1.598 (2) |
O3AA—O1AB | 1.712 (9) | P1B—H3B | 5.65 |
O3AA—H9AF | 1.3053 | P1B—H6B | 4.07 |
O4AA—O4AB | 1.336 (7) | O2B—C7B | 1.392 (4) |
O4AA—C10A | 1.444 (6) | O3B—C9B | 1.448 (5) |
O4AA—O3AB | 1.445 (7) | O4B—C10B | 1.430 (5) |
O4AA—H10F | 1.3399 | C1B—C6B | 1.389 (4) |
O3AB—C9A | 1.471 (7) | C1B—C2B | 1.397 (4) |
O3AB—H9AC | 1.3012 | C1B—C7B | 1.484 (4) |
O4AB—C10A | 1.431 (8) | C2B—C3B | 1.379 (5) |
O4AB—H10C | 1.3263 | C3B—C4B | 1.382 (5) |
C1A—C6A | 1.383 (4) | C3B—H3B | 0.93 |
C1A—C2A | 1.402 (4) | C4B—C5B | 1.382 (5) |
C1A—C7A | 1.476 (4) | C5B—C6B | 1.376 (5) |
C2A—C3A | 1.375 (5) | C6B—H6B | 0.93 |
C3A—C4A | 1.375 (5) | C7B—C8B | 1.310 (5) |
C3A—H3A | 0.93 | C8B—H8B | 0.93 |
C4A—C5A | 1.391 (5) | C9B—H9BA | 0.96 |
C5A—C6A | 1.385 (4) | C9B—H9BB | 0.96 |
C6A—H6A | 0.93 | C9B—H9BC | 0.96 |
C7A—C8A | 1.314 (5) | C10B—H10G | 0.96 |
C8A—H8A | 0.93 | C10B—H10H | 0.96 |
C9A—H9AA | 0.96 | C10B—H10I | 0.96 |
C9A—H9AB | 0.96 | | |
| | | |
O1AA—P1A—O1AB | 45.4 (3) | O3AA—C9A—H9AC | 109.5 |
O1AA—P1A—O4AB | 70.4 (4) | O3AB—C9A—H9AC | 60.5 |
O1AB—P1A—O4AB | 112.8 (4) | H9AA—C9A—H9AC | 109.5 |
O1AA—P1A—O3AA | 113.0 (4) | H9AB—C9A—H9AC | 109.5 |
O1AB—P1A—O3AA | 69.6 (4) | O3AA—C9A—H9AD | 148.7 |
O4AB—P1A—O3AA | 142.7 (3) | O3AB—C9A—H9AD | 109.7 |
O1AA—P1A—O4AA | 118.8 (3) | H9AA—C9A—H9AD | 67.6 |
O1AB—P1A—O4AA | 145.0 (3) | H9AB—C9A—H9AD | 100.4 |
O4AB—P1A—O4AA | 51.4 (3) | H9AC—C9A—H9AD | 49.3 |
O3AA—P1A—O4AA | 104.0 (2) | O3AA—C9A—H9AE | 101.6 |
O1AA—P1A—O3AB | 144.8 (3) | O3AB—C9A—H9AE | 109.6 |
O1AB—P1A—O3AB | 116.3 (4) | H9AA—C9A—H9AE | 103.5 |
O4AB—P1A—O3AB | 104.3 (3) | H9AC—C9A—H9AE | 122.6 |
O3AA—P1A—O3AB | 50.3 (3) | H9AD—C9A—H9AE | 109.5 |
O4AA—P1A—O3AB | 55.0 (3) | O3AA—C9A—H9AF | 62.0 |
O1AA—P1A—O2A | 113.8 (2) | O3AB—C9A—H9AF | 109.2 |
O1AB—P1A—O2A | 114.6 (3) | H9AA—C9A—H9AF | 47.5 |
O4AB—P1A—O2A | 106.4 (3) | H9AB—C9A—H9AF | 122.4 |
O3AA—P1A—O2A | 105.4 (2) | H9AC—C9A—H9AF | 127.5 |
O4AA—P1A—O2A | 100.38 (18) | H9AD—C9A—H9AF | 109.5 |
O3AB—P1A—O2A | 101.2 (2) | H9AE—C9A—H9AF | 109.5 |
C7A—O2A—P1A | 121.93 (19) | O4AB—C10A—O4AA | 55.4 (3) |
O1AB—O1AA—P1A | 68.8 (5) | O4AB—C10A—H10A | 153.7 |
O1AB—O1AA—O4AB | 122.3 (6) | O4AA—C10A—H10A | 109.5 |
P1A—O1AA—O4AB | 57.3 (3) | O4AB—C10A—H10B | 96.5 |
O3AB—O3AA—C9A | 64.1 (4) | O4AA—C10A—H10B | 109.5 |
O3AB—O3AA—P1A | 66.6 (3) | H10A—C10A—H10B | 109.5 |
C9A—O3AA—P1A | 122.7 (4) | O4AB—C10A—H10C | 63.9 |
O3AB—O3AA—O1AB | 116.2 (5) | O4AA—C10A—H10C | 109.5 |
C9A—O3AA—O1AB | 171.2 (5) | H10A—C10A—H10C | 109.5 |
P1A—O3AA—O1AB | 53.5 (3) | H10B—C10A—H10C | 109.5 |
O3AB—O3AA—H9AF | 99.5 | O4AB—C10A—H10D | 109.8 |
P1A—O3AA—H9AF | 163.2 | O4AA—C10A—H10D | 154.6 |
O1AB—O3AA—H9AF | 142.8 | H10A—C10A—H10D | 74.7 |
O4AB—O4AA—C10A | 61.8 (4) | H10B—C10A—H10D | 91.6 |
O4AB—O4AA—O3AB | 123.5 (5) | H10C—C10A—H10D | 48.1 |
C10A—O4AA—O3AB | 174.7 (5) | O4AB—C10A—H10E | 109.4 |
O4AB—O4AA—P1A | 63.4 (3) | O4AA—C10A—H10E | 95.5 |
C10A—O4AA—P1A | 121.5 (3) | H10A—C10A—H10E | 92.4 |
O3AB—O4AA—P1A | 63.2 (3) | H10C—C10A—H10E | 137.8 |
O4AB—O4AA—H10F | 94.7 | H10D—C10A—H10E | 109.5 |
O3AB—O4AA—H10F | 135.9 | O4AB—C10A—H10F | 109.2 |
P1A—O4AA—H10F | 157.9 | O4AA—C10A—H10F | 64.1 |
O1AA—O1AB—P1A | 65.8 (5) | H10A—C10A—H10F | 47.5 |
O1AA—O1AB—O3AA | 120.2 (6) | H10B—C10A—H10F | 137.7 |
P1A—O1AB—O3AA | 56.9 (3) | H10C—C10A—H10F | 111.9 |
O3AA—O3AB—O4AA | 122.8 (5) | H10D—C10A—H10F | 109.5 |
O3AA—O3AB—C9A | 62.0 (4) | H10E—C10A—H10F | 109.5 |
O4AA—O3AB—C9A | 167.3 (6) | O1B—P1B—O3B | 112.87 (17) |
O3AA—O3AB—P1A | 63.1 (3) | O1B—P1B—O4B | 118.41 (15) |
O4AA—O3AB—P1A | 61.7 (3) | O3B—P1B—O4B | 103.36 (14) |
C9A—O3AB—P1A | 117.9 (4) | O1B—P1B—O2B | 113.74 (14) |
O3AA—O3AB—H9AC | 98.2 | O3B—P1B—O2B | 105.98 (14) |
O4AA—O3AB—H9AC | 138.9 | O4B—P1B—O2B | 100.97 (13) |
P1A—O3AB—H9AC | 157.7 | C7B—O2B—P1B | 122.36 (19) |
O4AA—O4AB—C10A | 62.8 (4) | C9B—O3B—P1B | 123.6 (3) |
O4AA—O4AB—P1A | 65.3 (3) | C10B—O4B—P1B | 120.9 (3) |
C10A—O4AB—P1A | 124.2 (5) | C6B—C1B—C2B | 117.8 (3) |
O4AA—O4AB—O1AA | 114.7 (5) | C6B—C1B—C7B | 120.1 (3) |
C10A—O4AB—O1AA | 175.8 (5) | C2B—C1B—C7B | 122.1 (3) |
P1A—O4AB—O1AA | 52.3 (3) | C3B—C2B—C1B | 120.8 (3) |
O4AA—O4AB—H10C | 96.3 | C3B—C2B—Cl2B | 118.6 (3) |
P1A—O4AB—H10C | 161.4 | C1B—C2B—Cl2B | 120.6 (3) |
O1AA—O4AB—H10C | 143.5 | C2B—C3B—C4B | 120.4 (3) |
C6A—C1A—C2A | 117.4 (3) | C2B—C3B—H3B | 119.8 |
C6A—C1A—C7A | 120.1 (3) | C4B—C3B—H3B | 119.8 |
C2A—C1A—C7A | 122.5 (3) | C3B—C4B—C5B | 119.3 (3) |
C3A—C2A—C1A | 121.9 (3) | C3B—C4B—Cl4B | 118.1 (3) |
C3A—C2A—Cl2A | 118.3 (3) | C5B—C4B—Cl4B | 122.6 (3) |
C1A—C2A—Cl2A | 119.8 (2) | C6B—C5B—C4B | 120.2 (3) |
C4A—C3A—C2A | 119.5 (3) | C6B—C5B—Cl5B | 119.6 (3) |
C4A—C3A—H3A | 120.2 | C4B—C5B—Cl5B | 120.1 (3) |
C2A—C3A—H3A | 120.2 | C5B—C6B—C1B | 121.3 (3) |
C3A—C4A—C5A | 120.2 (3) | C5B—C6B—H6B | 119.3 |
C3A—C4A—Cl4A | 118.8 (3) | C1B—C6B—H6B | 119.3 |
C5A—C4A—Cl4A | 121.0 (3) | C8B—C7B—O2B | 119.8 (3) |
C6A—C5A—C4A | 119.5 (3) | C8B—C7B—C1B | 123.5 (3) |
C6A—C5A—Cl5A | 119.1 (3) | O2B—C7B—C1B | 116.6 (3) |
C4A—C5A—Cl5A | 121.3 (3) | C7B—C8B—Cl1B | 122.0 (3) |
C1A—C6A—C5A | 121.5 (3) | C7B—C8B—H8B | 119.0 |
C1A—C6A—H6A | 119.2 | Cl1B—C8B—H8B | 119.0 |
C5A—C6A—H6A | 119.2 | O3B—C9B—H9BA | 109.5 |
C8A—C7A—O2A | 120.5 (3) | O3B—C9B—H9BB | 109.5 |
C8A—C7A—C1A | 122.4 (3) | H9BA—C9B—H9BB | 109.5 |
O2A—C7A—C1A | 117.0 (3) | O3B—C9B—H9BC | 109.5 |
C7A—C8A—Cl1A | 122.6 (3) | H9BA—C9B—H9BC | 109.5 |
C7A—C8A—H8A | 118.7 | H9BB—C9B—H9BC | 109.5 |
Cl1A—C8A—H8A | 118.7 | O4B—C10B—H10G | 109.5 |
O3AA—C9A—O3AB | 53.9 (3) | O4B—C10B—H10H | 109.5 |
O3AA—C9A—H9AA | 109.5 | H10G—C10B—H10H | 109.5 |
O3AB—C9A—H9AA | 145.2 | O4B—C10B—H10I | 109.5 |
O3AA—C9A—H9AB | 109.5 | H10G—C10B—H10I | 109.5 |
O3AB—C9A—H9AB | 105.1 | H10H—C10B—H10I | 109.5 |
H9AA—C9A—H9AB | 109.5 | | |
| | | |
O1AA—P1A—O2A—C7A | 21.1 (4) | O4AA—P1A—O3AB—C9A | 165.6 (6) |
O1AB—P1A—O2A—C7A | −28.9 (5) | O2A—P1A—O3AB—C9A | 70.7 (5) |
O4AB—P1A—O2A—C7A | 96.4 (3) | O3AB—O4AA—O4AB—C10A | 179.5 (5) |
O3AA—P1A—O2A—C7A | −103.2 (3) | P1A—O4AA—O4AB—C10A | 158.8 (4) |
O4AA—P1A—O2A—C7A | 149.0 (3) | C10A—O4AA—O4AB—P1A | −158.8 (4) |
O3AB—P1A—O2A—C7A | −154.9 (3) | O3AB—O4AA—O4AB—P1A | 20.7 (5) |
O4AB—P1A—O1AA—O1AB | 158.4 (6) | C10A—O4AA—O4AB—O1AA | −176.3 (6) |
O3AA—P1A—O1AA—O1AB | 18.3 (5) | O3AB—O4AA—O4AB—O1AA | 3.2 (7) |
O4AA—P1A—O1AA—O1AB | 140.5 (5) | P1A—O4AA—O4AB—O1AA | −17.5 (3) |
O3AB—P1A—O1AA—O1AB | 71.3 (7) | O1AA—P1A—O4AB—O4AA | −159.8 (4) |
O2A—P1A—O1AA—O1AB | −101.7 (5) | O1AB—P1A—O4AB—O4AA | −143.3 (4) |
O1AB—P1A—O1AA—O4AB | −158.4 (6) | O3AA—P1A—O4AB—O4AA | −57.4 (6) |
O3AA—P1A—O1AA—O4AB | −140.1 (3) | O3AB—P1A—O4AB—O4AA | −16.2 (4) |
O4AA—P1A—O1AA—O4AB | −17.9 (4) | O2A—P1A—O4AB—O4AA | 90.3 (3) |
O3AB—P1A—O1AA—O4AB | −87.1 (6) | O1AA—P1A—O4AB—C10A | 177.3 (7) |
O2A—P1A—O1AA—O4AB | 99.9 (3) | O1AB—P1A—O4AB—C10A | −166.2 (6) |
O1AA—P1A—O3AA—O3AB | 143.3 (4) | O3AA—P1A—O4AB—C10A | −80.3 (8) |
O1AB—P1A—O3AA—O3AB | 157.1 (5) | O4AA—P1A—O4AB—C10A | −22.9 (4) |
O4AB—P1A—O3AA—O3AB | 55.9 (6) | O3AB—P1A—O4AB—C10A | −39.1 (6) |
O4AA—P1A—O3AA—O3AB | 13.2 (4) | O2A—P1A—O4AB—C10A | 67.4 (6) |
O2A—P1A—O3AA—O3AB | −91.9 (3) | O1AB—P1A—O4AB—O1AA | 16.5 (4) |
O1AA—P1A—O3AA—C9A | 175.8 (4) | O3AA—P1A—O4AB—O1AA | 102.4 (5) |
O1AB—P1A—O3AA—C9A | −170.4 (6) | O4AA—P1A—O4AB—O1AA | 159.8 (4) |
O4AB—P1A—O3AA—C9A | 88.4 (7) | O3AB—P1A—O4AB—O1AA | 143.6 (3) |
O4AA—P1A—O3AA—C9A | 45.7 (5) | O2A—P1A—O4AB—O1AA | −109.9 (3) |
O3AB—P1A—O3AA—C9A | 32.5 (4) | O1AB—O1AA—O4AB—O4AA | −3.8 (9) |
O2A—P1A—O3AA—C9A | −59.4 (5) | P1A—O1AA—O4AB—O4AA | 20.2 (4) |
O1AA—P1A—O3AA—O1AB | −13.8 (4) | O1AB—O1AA—O4AB—P1A | −24.0 (6) |
O4AB—P1A—O3AA—O1AB | −101.2 (6) | C6A—C1A—C2A—C3A | −1.6 (5) |
O4AA—P1A—O3AA—O1AB | −143.9 (3) | C7A—C1A—C2A—C3A | 177.3 (3) |
O3AB—P1A—O3AA—O1AB | −157.1 (5) | C6A—C1A—C2A—Cl2A | −179.5 (2) |
O2A—P1A—O3AA—O1AB | 111.0 (3) | C7A—C1A—C2A—Cl2A | −0.6 (4) |
O1AA—P1A—O4AA—O4AB | 21.8 (5) | C1A—C2A—C3A—C4A | 0.9 (5) |
O1AB—P1A—O4AA—O4AB | 73.9 (8) | Cl2A—C2A—C3A—C4A | 178.9 (3) |
O3AA—P1A—O4AA—O4AB | 148.3 (4) | C2A—C3A—C4A—C5A | 0.0 (5) |
O3AB—P1A—O4AA—O4AB | 160.7 (5) | C2A—C3A—C4A—Cl4A | 179.3 (3) |
O2A—P1A—O4AA—O4AB | −102.8 (4) | C3A—C4A—C5A—C6A | −0.3 (5) |
O1AA—P1A—O4AA—C10A | 43.8 (5) | Cl4A—C4A—C5A—C6A | −179.5 (3) |
O1AB—P1A—O4AA—C10A | 95.9 (8) | C3A—C4A—C5A—Cl5A | 178.4 (3) |
O4AB—P1A—O4AA—C10A | 22.0 (4) | Cl4A—C4A—C5A—Cl5A | −0.8 (4) |
O3AA—P1A—O4AA—C10A | 170.3 (4) | C2A—C1A—C6A—C5A | 1.3 (5) |
O3AB—P1A—O4AA—C10A | −177.3 (5) | C7A—C1A—C6A—C5A | −177.6 (3) |
O2A—P1A—O4AA—C10A | −80.8 (4) | C4A—C5A—C6A—C1A | −0.4 (5) |
O1AA—P1A—O4AA—O3AB | −138.9 (4) | Cl5A—C5A—C6A—C1A | −179.1 (2) |
O1AB—P1A—O4AA—O3AB | −86.7 (7) | P1A—O2A—C7A—C8A | −110.1 (3) |
O4AB—P1A—O4AA—O3AB | −160.7 (5) | P1A—O2A—C7A—C1A | 72.9 (3) |
O3AA—P1A—O4AA—O3AB | −12.4 (4) | C6A—C1A—C7A—C8A | 65.9 (4) |
O2A—P1A—O4AA—O3AB | 96.5 (3) | C2A—C1A—C7A—C8A | −112.9 (4) |
O4AB—O1AA—O1AB—P1A | 21.5 (5) | C6A—C1A—C7A—O2A | −117.1 (3) |
P1A—O1AA—O1AB—O3AA | −17.4 (5) | C2A—C1A—C7A—O2A | 64.1 (4) |
O4AB—O1AA—O1AB—O3AA | 4.1 (10) | O2A—C7A—C8A—Cl1A | 4.4 (4) |
O4AB—P1A—O1AB—O1AA | −22.1 (6) | C1A—C7A—C8A—Cl1A | −178.7 (2) |
O3AA—P1A—O1AB—O1AA | −162.0 (5) | P1A—O3AA—C9A—O3AB | −33.2 (4) |
O4AA—P1A—O1AB—O1AA | −76.7 (8) | O4AA—O3AB—C9A—O3AA | 115 (2) |
O3AB—P1A—O1AB—O1AA | −142.5 (4) | P1A—O3AB—C9A—O3AA | 30.4 (4) |
O2A—P1A—O1AB—O1AA | 99.9 (4) | P1A—O4AB—C10A—O4AA | 23.4 (4) |
O1AA—P1A—O1AB—O3AA | 162.0 (5) | P1A—O4AA—C10A—O4AB | −22.3 (4) |
O4AB—P1A—O1AB—O3AA | 139.9 (4) | O1B—P1B—O2B—C7B | 25.0 (3) |
O4AA—P1A—O1AB—O3AA | 85.4 (6) | O3B—P1B—O2B—C7B | −99.6 (2) |
O3AB—P1A—O1AB—O3AA | 19.5 (4) | O4B—P1B—O2B—C7B | 152.9 (2) |
O2A—P1A—O1AB—O3AA | −98.1 (3) | O1B—P1B—O3B—C9B | 176.6 (3) |
O3AB—O3AA—O1AB—O1AA | −4.4 (9) | O4B—P1B—O3B—C9B | 47.4 (4) |
P1A—O3AA—O1AB—O1AA | 19.0 (5) | O2B—P1B—O3B—C9B | −58.3 (3) |
O3AB—O3AA—O1AB—P1A | −23.5 (5) | O1B—P1B—O4B—C10B | 40.0 (4) |
C9A—O3AA—O3AB—O4AA | −166.3 (6) | O3B—P1B—O4B—C10B | 165.6 (3) |
P1A—O3AA—O3AB—O4AA | −16.4 (5) | O2B—P1B—O4B—C10B | −84.9 (3) |
O1AB—O3AA—O3AB—O4AA | 3.9 (8) | C6B—C1B—C2B—C3B | 2.8 (5) |
P1A—O3AA—O3AB—C9A | 149.9 (4) | C7B—C1B—C2B—C3B | −177.2 (3) |
O1AB—O3AA—O3AB—C9A | 170.3 (5) | C6B—C1B—C2B—Cl2B | −175.4 (2) |
C9A—O3AA—O3AB—P1A | −149.9 (4) | C7B—C1B—C2B—Cl2B | 4.6 (4) |
O1AB—O3AA—O3AB—P1A | 20.4 (4) | C1B—C2B—C3B—C4B | −1.5 (5) |
O4AB—O4AA—O3AB—O3AA | −4.1 (9) | Cl2B—C2B—C3B—C4B | 176.8 (3) |
P1A—O4AA—O3AB—O3AA | 16.7 (5) | C2B—C3B—C4B—C5B | −1.5 (5) |
O4AB—O4AA—O3AB—C9A | −112 (2) | C2B—C3B—C4B—Cl4B | 176.9 (3) |
P1A—O4AA—O3AB—C9A | −92 (2) | C3B—C4B—C5B—C6B | 3.1 (5) |
O4AB—O4AA—O3AB—P1A | −20.7 (5) | Cl4B—C4B—C5B—C6B | −175.3 (3) |
O1AA—P1A—O3AB—O3AA | −72.8 (7) | C3B—C4B—C5B—Cl5B | −178.1 (3) |
O1AB—P1A—O3AB—O3AA | −24.0 (5) | Cl4B—C4B—C5B—Cl5B | 3.5 (4) |
O4AB—P1A—O3AB—O3AA | −148.9 (4) | C4B—C5B—C6B—C1B | −1.7 (5) |
O4AA—P1A—O3AB—O3AA | −164.3 (5) | Cl5B—C5B—C6B—C1B | 179.5 (3) |
O2A—P1A—O3AB—O3AA | 100.8 (3) | C2B—C1B—C6B—C5B | −1.2 (5) |
O1AA—P1A—O3AB—O4AA | 91.6 (6) | C7B—C1B—C6B—C5B | 178.8 (3) |
O1AB—P1A—O3AB—O4AA | 140.3 (4) | P1B—O2B—C7B—C8B | −108.7 (3) |
O4AB—P1A—O3AB—O4AA | 15.5 (4) | P1B—O2B—C7B—C1B | 73.5 (3) |
O3AA—P1A—O3AB—O4AA | 164.3 (5) | C6B—C1B—C7B—C8B | 59.2 (4) |
O2A—P1A—O3AB—O4AA | −94.9 (3) | C2B—C1B—C7B—C8B | −120.8 (4) |
O1AA—P1A—O3AB—C9A | −102.9 (7) | C6B—C1B—C7B—O2B | −123.1 (3) |
O1AB—P1A—O3AB—C9A | −54.1 (6) | C2B—C1B—C7B—O2B | 56.9 (4) |
O4AB—P1A—O3AB—C9A | −179.0 (5) | O2B—C7B—C8B—Cl1B | 4.7 (5) |
O3AA—P1A—O3AB—C9A | −30.1 (4) | C1B—C7B—C8B—Cl1B | −177.7 (2) |
Selected Geometric Parameters (Å,°) topBond Molecule A | Distance | Bond Molecule B | Distance |
Cl1A—C8A | 1.720 (3) | Cl1B—C8B | 1.714 (3) |
Cl2A—C2A | 1.736 (3) | Cl2B—C2B | 1.730 (3) |
Cl4A—C4A | 1.726 (3) | Cl4B—C4B | 1.726 (3) |
Cl5A—C5A | 1.730 (3) | Cl5B—C5B | 1.736 (3) |
P1A—O1AA | 1.436 (5) | P1B—O1B | 1.449 (3) |
P1A—O1AB | 1.467 (7) | | |
P1A—O2A | 1.601 (2) | P1B—O2B | 1.598 (2) |
P1A—O3AA | 1.530 (5) | P1B—O3B | 1.545 (3) |
P1A—O3AB | 1.574 (5) | | |
P1A—O4AA | 1.553 (4) | P1B—O4B | 1.560 (2) |
P1A—O4AB | 1.528 (6) | | |
O2A—C7A | 1.395 (4) | O2B—C7B | 1.392 (4) |
P1A···H3A | 5.83 | P1B···H3B | 5.65 |
P1A···H6A | 3.89 | P1B···H6B | 4.07 |
P1A···ring center | 4.38 | P1B···ring center | 4.35 |
| | | |
Atoms in Molecule A | Angle | Atoms in Molecule B | Angle |
O1AA—P1A—O2A | 113.8 (2) | O1B P1B O2B | 113.74 (14) |
O1AB—P1A—O2A | 114.6 (3) | | |
O1AA—P1A—O3AA | 113.0 (4) | O1B P1B O3B | 112.87 (17) |
O1AB—P1A—O3AB | 116.3 (4) | | |
O1AA—P1A—O4AA | 118.8 (3) | O1B P1B O4B | 118.41 (15) |
O1AB—P1A—O4AB | 112.8 (4) | | |
O2A—P1A—O3AA | 105.4 (2) | O2B P1B O3B | 105.98 (14) |
O2A—P1A—O3AB | 101.2 (2) | | |
O2A—P1A—O4AA | 100.38 (18) | O2B P1B O4B | 100.97 (13) |
O2A—P1A—O4AB | 106.4 (3) | | |
O3AA—P1A—O4AA | 104.0 (2) | O3B P1B O4B | 103.36 (14) |
O3AB—P1A—O4AB | 104.3 (3) | | |
| | | |
O1AA-P1A-O2A-C7A | 21.1 (4) | O1B-P1B-O2B-C7B | 25.0 (3) |
O1AB-P1A-O2A-C7A | -28.9 (5) | | |
O3AA-P1A-O2A-C7A | -103.2 (3) | O3B-P1B-O2B-C7B | -99.6 (2) |
O3AB-P1A-O2A-C7A | -154.9 (3) | | |
O4AA-P1A-O2A-C7A | 149.0 (3) | O4B-P1B-O2B-C7B | 152.9 (2) |
O4AB-P1A-O2A-C7A | 96.4 (3) | | |
P1A-O2A-C7A-C1A | 72.9 (3) | P1B-O2B-C7B-C1B | 73.5 (3) |
C2A-C1A-C7A-O2A | 64.1 (4) | C2B-C1B-C7B-O2B | 56.9 (4) |
C2A-C1A-C7A-C8A | -112.9 (4) | C2B-C1B-C7B-C8B | -120.8 (4) |
C1A-C7A-C8A-Cl1A | -178.7 (2) | C1B-C7B-C8B-Cl1B | -177.7 (3) |
| | | |
| | | |
Close Chlorine···Oxygen and H···Cl Interactions (Å, °). topInteraction | Distance | | | | |
O1AA···Cl4Bi | 3.274 (6) | | | | |
O1AB···Cl4Bi | 3.151 (7) | | | | |
O3AA···Cl5Bii | 3.510 (5) | | | | |
O3AB···Cl1B | 3.367 (6) | | | | |
O4AA···Cl1B | 3.270 (4) | | | | |
O4AB···Cl1Biii | 3.378 (7) | | | | |
O1B···Cl4Aiv | 3.463 (3) | | | | |
O3B···Cl4Aiv | 3.100 (3) | | | | |
| | | | | |
D—H···A | | D—H | H···A | D···A | D—H···A |
C3A—H3A···Cl5Av | | 0.93 | 3.09 | 3.959 (4) | 157 |
C6A—H6A···Cl2Avi | | 0.93 | 3.09 | 3.957 (3) | 156 |
C3B—H3B···Cl5Bv | | 0.93 | 3.03 | 3.916 (4) | 160 |
C6B—H6B···Cl2Bvi | | 0.93 | 2.99 | 3.882 (3) | 160 |
Symmetry codes: (i) x - 1, y, 1 + z; (ii) x, y, 1 + z;
(iii) 1 - x, -y, 1 - z; (iv) x, y, z - 1; (v) 1 + x, y, z; (vi) x - 1, y, z |
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