Supporting information
Crystallographic Information File (CIF) https://doi.org/10.1107/S1600536804028454/hb6116sup1.cif | |
Structure factor file (CIF format) https://doi.org/10.1107/S1600536804028454/hb6116IIIsup2.hkl |
CCDC reference: 258661
Key indicators
- Single-crystal X-ray study
- T = 293 K
- Mean (C-C) = 0.018 Å
- H-atom completeness 94%
- R factor = 0.052
- wR factor = 0.103
- Data-to-parameter ratio = 21.0
checkCIF/PLATON results
No syntax errors found
Alert level A PLAT306_ALERT_2_A Isolated Oxygen Atom (H-atoms Missing ?) ....... O1W PLAT306_ALERT_2_A Isolated Oxygen Atom (H-atoms Missing ?) ....... O2W PLAT306_ALERT_2_A Isolated Oxygen Atom (H-atoms Missing ?) ....... O3W
Alert level B PLAT430_ALERT_2_B Short Inter D...A Contact O1W .. O2W .. 2.75 Ang. PLAT430_ALERT_2_B Short Inter D...A Contact O2W .. N41 .. 2.85 Ang. PLAT430_ALERT_2_B Short Inter D...A Contact O2W .. N22 .. 2.85 Ang. PLAT430_ALERT_2_B Short Inter D...A Contact O3W .. N33 .. 2.85 Ang.
Alert level C GOODF01_ALERT_2_C The least squares goodness of fit parameter lies outside the range 0.80 <> 2.00 Goodness of fit given = 0.795 PLAT026_ALERT_3_C Ratio Observed / Unique Reflections too Low .... 43 Perc. 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 C235 has ADP max/min Ratio ............. 3.40 prolat PLAT220_ALERT_2_C Large Non-Solvent C Ueq(max)/Ueq(min) ... 2.72 Ratio PLAT220_ALERT_2_C Large Non-Solvent C Ueq(max)/Ueq(min) ... 2.55 Ratio PLAT232_ALERT_2_C Hirshfeld Test Diff (M-X) Re1 - Te3 .. 5.14 su PLAT232_ALERT_2_C Hirshfeld Test Diff (M-X) Re1 - Te4 .. 7.68 su PLAT232_ALERT_2_C Hirshfeld Test Diff (M-X) Re2 - Te1 .. 6.29 su PLAT232_ALERT_2_C Hirshfeld Test Diff (M-X) Re2 - Te3 .. 6.54 su PLAT232_ALERT_2_C Hirshfeld Test Diff (M-X) Re2 - Te4 .. 5.35 su PLAT232_ALERT_2_C Hirshfeld Test Diff (M-X) Re3 - Te2 .. 5.05 su PLAT232_ALERT_2_C Hirshfeld Test Diff (M-X) Re3 - C31 .. 5.40 su PLAT241_ALERT_2_C Check High U(eq) as Compared to Neighbors for C213 PLAT241_ALERT_2_C Check High U(eq) as Compared to Neighbors for C233 PLAT241_ALERT_2_C Check High U(eq) as Compared to Neighbors for C315 PLAT241_ALERT_2_C Check High U(eq) as Compared to Neighbors for C322 PLAT241_ALERT_2_C Check High U(eq) as Compared to Neighbors for C343 PLAT241_ALERT_2_C Check High U(eq) as Compared to Neighbors for C415 PLAT241_ALERT_2_C Check High U(eq) as Compared to Neighbors for C423 PLAT241_ALERT_2_C Check High U(eq) as Compared to Neighbors for C433 PLAT242_ALERT_2_C Check Low U(eq) as Compared to Neighbors for C211 PLAT242_ALERT_2_C Check Low U(eq) as Compared to Neighbors for C441 PLAT331_ALERT_2_C Small Average Phenyl C-C Dist. C441 -C446 1.36 Ang. PLAT342_ALERT_3_C Low Bond Precision on C-C bonds (x 1000) Ang ... 17 PLAT601_ALERT_2_C Structure Contains Solvent Accessible VOIDS of . 31.00 A 3 PLAT790_ALERT_4_C Centre of Gravity not Within Unit Cell: Resd. # 1 C24 H20 P PLAT790_ALERT_4_C Centre of Gravity not Within Unit Cell: Resd. # 7 O PLAT790_ALERT_4_C Centre of Gravity not Within Unit Cell: Resd. # 8 O
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:C108 H86 N12 O3 P4 Re4 Te4 Atom count from the _atom_site data: C108 H80 N12 O3 P4 Re4 Te4 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 C108 H86 N12 O3 P4 Re4 Te4 TEST: Compare cell contents of formula and atom_site data atom Z*formula cif sites diff C 432.00 432.00 0.00 H 344.00 320.00 24.00 N 48.00 48.00 0.00 O 12.00 12.00 0.00 P 16.00 16.00 0.00 Re 16.00 16.00 0.00 Te 16.00 16.00 0.00
3 ALERT level A = In general: serious problem 4 ALERT level B = Potentially serious problem 31 ALERT level C = Check and explain 3 ALERT level G = General alerts; check 5 ALERT type 1 CIF construction/syntax error, inconsistent or missing data 31 ALERT type 2 Indicator that the structure model may be wrong or deficient 2 ALERT type 3 Indicator that the structure quality may be low 3 ALERT type 4 Improvement, methodology, query or suggestion
Data collection: APEX2 (Bruker, 2004); cell refinement: SAINT (Bruker, 2004); data reduction: SAINT; program(s) used to solve structure: SHELXTL (Bruker, 2004); program(s) used to refine structure: SHELXTL; molecular graphics: SHELXTL; software used to prepare material for publication: SHELXTL.
(C24H20P)4[Re4Te4(CN)12]·3H2O | F(000) = 5640 |
Mr = 2978.97 | Dx = 1.922 Mg m−3 |
Monoclinic, P21/n | Mo Kα radiation, λ = 0.71073 Å |
Hall symbol: -P 2yn | Cell parameters from 3070 reflections |
a = 15.4635 (8) Å | θ = 2.2–19.5° |
b = 24.1703 (11) Å | µ = 5.92 mm−1 |
c = 28.5358 (11) Å | T = 293 K |
β = 105.181 (1)° | Needle, dark red |
V = 10293.3 (8) Å3 | 0.10 × 0.04 × 0.02 mm |
Z = 4 |
Bruker–Nonius X8Apex CCD diffractometer | 25536 independent reflections |
Radiation source: fine-focus sealed tube | 11085 reflections with I > 2σ(I) |
Graphite monochromator | Rint = 0.062 |
Detector resolution: 25 pixels mm-1 | θmax = 28.3°, θmin = 1.8° |
φ scans | h = −20→19 |
Absorption correction: multi-scan (SADABS; Bruker, 2004) | k = −28→32 |
Tmin = 0.753, Tmax = 0.888 | l = −22→38 |
76502 measured reflections |
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) = 0.103 | H-atom parameters constrained |
S = 0.80 | w = 1/[σ2(Fo2) + (0.0331P)2] where P = (Fo2 + 2Fc2)/3 |
25536 reflections | (Δ/σ)max = 0.002 |
1216 parameters | Δρmax = 1.57 e Å−3 |
0 restraints | Δρmin = −1.24 e Å−3 |
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. |
x | y | z | Uiso*/Ueq | ||
Re1 | 0.19520 (3) | 0.776920 (16) | 0.861823 (13) | 0.03335 (10) | |
Re2 | 0.14233 (3) | 0.705148 (15) | 0.930082 (13) | 0.03345 (10) | |
Re3 | 0.06121 (3) | 0.812668 (16) | 0.908329 (13) | 0.03357 (10) | |
Re4 | 0.24470 (3) | 0.803879 (16) | 0.964052 (13) | 0.03376 (10) | |
Te1 | 0.10868 (5) | 0.77208 (3) | 0.99639 (2) | 0.04029 (17) | |
Te2 | 0.18937 (4) | 0.87795 (3) | 0.89531 (2) | 0.03887 (17) | |
Te3 | 0.31012 (4) | 0.71865 (3) | 0.92771 (2) | 0.03988 (17) | |
Te4 | 0.03574 (4) | 0.73114 (3) | 0.84508 (2) | 0.03755 (16) | |
P1 | 0.08326 (19) | 0.80044 (11) | 1.16196 (9) | 0.0452 (7) | |
P2 | −0.03152 (19) | 0.44937 (11) | 0.76767 (9) | 0.0450 (7) | |
P3 | 0.64409 (19) | 0.59824 (11) | 0.92426 (9) | 0.0434 (7) | |
P4 | 0.3011 (2) | 1.07705 (12) | 0.89065 (9) | 0.0484 (7) | |
O1W | −0.0392 (7) | 0.8996 (4) | 0.6875 (3) | 0.120 (4) | |
O2W | −0.1005 (8) | 0.8613 (4) | 0.5940 (4) | 0.152 (5) | |
O3W | −0.1458 (6) | 0.9569 (4) | 0.7421 (3) | 0.103 (3) | |
N11 | 0.1053 (6) | 0.8344 (4) | 0.7570 (3) | 0.063 (3) | |
N12 | 0.3730 (6) | 0.8233 (4) | 0.8353 (3) | 0.061 (3) | |
N13 | 0.2328 (6) | 0.6786 (4) | 0.7926 (3) | 0.061 (3) | |
N21 | 0.1562 (6) | 0.5896 (3) | 0.8737 (3) | 0.052 (2) | |
N22 | 0.2310 (7) | 0.6278 (4) | 1.0238 (3) | 0.064 (3) | |
N23 | −0.0302 (6) | 0.6353 (4) | 0.9427 (3) | 0.056 (3) | |
N31 | −0.1349 (6) | 0.7768 (4) | 0.9189 (3) | 0.058 (3) | |
N32 | 0.0118 (6) | 0.9231 (4) | 0.9614 (3) | 0.061 (3) | |
N33 | −0.0628 (6) | 0.8836 (4) | 0.8190 (3) | 0.059 (3) | |
N41 | 0.3583 (7) | 0.7507 (4) | 1.0661 (3) | 0.078 (3) | |
N42 | 0.4392 (6) | 0.8594 (3) | 0.9748 (3) | 0.057 (3) | |
N43 | 0.2513 (7) | 0.9048 (4) | 1.0400 (3) | 0.076 (3) | |
C11 | 0.1354 (7) | 0.8141 (4) | 0.7937 (4) | 0.044 (3) | |
C12 | 0.3130 (7) | 0.8056 (4) | 0.8460 (4) | 0.047 (3) | |
C13 | 0.2175 (7) | 0.7132 (4) | 0.8167 (4) | 0.045 (3) | |
C21 | 0.1525 (6) | 0.6324 (4) | 0.8931 (3) | 0.036 (2) | |
C22 | 0.2020 (7) | 0.6558 (4) | 0.9915 (4) | 0.050 (3) | |
C23 | 0.0284 (8) | 0.6623 (4) | 0.9387 (4) | 0.053 (3) | |
C31 | −0.0667 (8) | 0.7891 (4) | 0.9144 (3) | 0.050 (3) | |
C32 | 0.0311 (7) | 0.8830 (4) | 0.9438 (3) | 0.049 (3) | |
C33 | −0.0169 (7) | 0.8580 (4) | 0.8499 (3) | 0.040 (3) | |
C41 | 0.3203 (7) | 0.7688 (4) | 1.0298 (4) | 0.051 (3) | |
C42 | 0.3711 (7) | 0.8400 (4) | 0.9685 (3) | 0.038 (2) | |
C43 | 0.2433 (7) | 0.8708 (4) | 1.0116 (4) | 0.048 (3) | |
C111 | 0.0222 (7) | 0.8059 (5) | 1.2076 (4) | 0.055 (3) | |
C112 | 0.0224 (7) | 0.8549 (5) | 1.2320 (4) | 0.066 (3) | |
H112 | 0.0505 | 0.8861 | 1.2238 | 0.079* | |
C113 | −0.0198 (9) | 0.8568 (6) | 1.2686 (4) | 0.082 (4) | |
H113 | −0.0187 | 0.8895 | 1.2860 | 0.098* | |
C114 | −0.0637 (8) | 0.8117 (7) | 1.2803 (4) | 0.090 (5) | |
H114 | −0.0925 | 0.8141 | 1.3051 | 0.107* | |
C115 | −0.0649 (9) | 0.7631 (6) | 1.2556 (5) | 0.083 (4) | |
H115 | −0.0953 | 0.7325 | 1.2630 | 0.100* | |
C116 | −0.0208 (8) | 0.7600 (5) | 1.2197 (4) | 0.068 (4) | |
H116 | −0.0199 | 0.7267 | 1.2034 | 0.082* | |
C121 | 0.1921 (6) | 0.7720 (4) | 1.1882 (3) | 0.045 (3) | |
C122 | 0.2123 (8) | 0.7449 (5) | 1.2325 (4) | 0.065 (3) | |
H122 | 0.1708 | 0.7437 | 1.2509 | 0.078* | |
C123 | 0.2919 (8) | 0.7206 (5) | 1.2483 (4) | 0.065 (3) | |
H123 | 0.3038 | 0.7018 | 1.2778 | 0.079* | |
C124 | 0.3577 (9) | 0.7216 (5) | 1.2236 (5) | 0.072 (4) | |
H124 | 0.4128 | 0.7044 | 1.2359 | 0.087* | |
C125 | 0.3378 (8) | 0.7488 (6) | 1.1804 (4) | 0.079 (4) | |
H125 | 0.3803 | 0.7499 | 1.1627 | 0.095* | |
C126 | 0.2559 (9) | 0.7752 (5) | 1.1619 (4) | 0.069 (4) | |
H126 | 0.2442 | 0.7944 | 1.1327 | 0.083* | |
C131 | 0.0196 (9) | 0.7551 (4) | 1.1165 (4) | 0.054 (3) | |
C132 | 0.0620 (8) | 0.7097 (4) | 1.1022 (3) | 0.052 (3) | |
H132 | 0.1219 | 0.7016 | 1.1166 | 0.062* | |
C133 | 0.0086 (10) | 0.6759 (5) | 1.0641 (4) | 0.069 (4) | |
H133 | 0.0342 | 0.6453 | 1.0531 | 0.083* | |
C134 | −0.0772 (9) | 0.6878 (5) | 1.0443 (4) | 0.077 (4) | |
H134 | −0.1104 | 0.6652 | 1.0197 | 0.093* | |
C135 | −0.1178 (9) | 0.7320 (6) | 1.0589 (5) | 0.086 (4) | |
H135 | −0.1776 | 0.7402 | 1.0442 | 0.104* | |
C136 | −0.0677 (10) | 0.7643 (5) | 1.0961 (5) | 0.086 (4) | |
H136 | −0.0955 | 0.7936 | 1.1074 | 0.103* | |
C141 | 0.0937 (7) | 0.8675 (4) | 1.1372 (3) | 0.046 (3) | |
C142 | 0.0405 (7) | 0.8864 (5) | 1.0940 (4) | 0.058 (3) | |
H142 | 0.0003 | 0.8622 | 1.0741 | 0.070* | |
C143 | 0.0448 (9) | 0.9404 (5) | 1.0794 (4) | 0.073 (4) | |
H143 | 0.0078 | 0.9526 | 1.0500 | 0.087* | |
C144 | 0.1036 (9) | 0.9758 (5) | 1.1084 (5) | 0.073 (4) | |
H144 | 0.1065 | 1.0125 | 1.0992 | 0.088* | |
C145 | 0.1588 (9) | 0.9570 (5) | 1.1514 (5) | 0.081 (4) | |
H145 | 0.1990 | 0.9813 | 1.1712 | 0.097* | |
C146 | 0.1554 (8) | 0.9027 (5) | 1.1656 (4) | 0.065 (3) | |
H146 | 0.1945 | 0.8900 | 1.1941 | 0.078* | |
C211 | 0.0790 (6) | 0.4239 (4) | 0.7929 (4) | 0.044 (3) | |
C212 | 0.1021 (9) | 0.3996 (5) | 0.8381 (4) | 0.071 (4) | |
H212 | 0.0623 | 0.3989 | 0.8575 | 0.085* | |
C213 | 0.1870 (11) | 0.3762 (6) | 0.8538 (6) | 0.104 (5) | |
H213 | 0.2024 | 0.3578 | 0.8834 | 0.125* | |
C214 | 0.2475 (9) | 0.3794 (7) | 0.8277 (7) | 0.106 (6) | |
H214 | 0.3052 | 0.3659 | 0.8403 | 0.127* | |
C215 | 0.2241 (9) | 0.4023 (6) | 0.7828 (6) | 0.083 (4) | |
H215 | 0.2642 | 0.4017 | 0.7635 | 0.099* | |
C216 | 0.1423 (9) | 0.4262 (5) | 0.7657 (4) | 0.073 (4) | |
H216 | 0.1283 | 0.4442 | 0.7358 | 0.088* | |
C221 | −0.0910 (7) | 0.4030 (4) | 0.7225 (3) | 0.039 (2) | |
C222 | −0.0469 (7) | 0.3641 (4) | 0.7026 (3) | 0.046 (3) | |
H222 | 0.0148 | 0.3606 | 0.7150 | 0.056* | |
C223 | −0.0894 (7) | 0.3298 (5) | 0.6651 (4) | 0.060 (3) | |
H223 | −0.0573 | 0.3042 | 0.6520 | 0.072* | |
C224 | −0.1804 (8) | 0.3345 (5) | 0.6476 (4) | 0.063 (3) | |
H224 | −0.2110 | 0.3107 | 0.6233 | 0.076* | |
C225 | −0.2272 (8) | 0.3741 (5) | 0.6655 (4) | 0.062 (3) | |
H225 | −0.2883 | 0.3787 | 0.6517 | 0.074* | |
C226 | −0.1833 (7) | 0.4070 (4) | 0.7040 (4) | 0.055 (3) | |
H226 | −0.2156 | 0.4320 | 0.7176 | 0.065* | |
C231 | −0.0272 (7) | 0.5153 (4) | 0.7385 (3) | 0.048 (3) | |
C232 | −0.0839 (8) | 0.5282 (5) | 0.6947 (4) | 0.064 (3) | |
H232 | −0.1237 | 0.5017 | 0.6779 | 0.077* | |
C233 | −0.0831 (11) | 0.5802 (6) | 0.6750 (5) | 0.098 (5) | |
H233 | −0.1255 | 0.5902 | 0.6467 | 0.118* | |
C234 | −0.0162 (12) | 0.6178 (6) | 0.6989 (6) | 0.096 (5) | |
H234 | −0.0107 | 0.6515 | 0.6842 | 0.115* | |
C235 | 0.0384 (11) | 0.6063 (5) | 0.7414 (6) | 0.098 (6) | |
H235 | 0.0782 | 0.6330 | 0.7577 | 0.118* | |
C236 | 0.0368 (8) | 0.5538 (5) | 0.7622 (4) | 0.072 (4) | |
H236 | 0.0778 | 0.5448 | 0.7913 | 0.087* | |
C241 | −0.0856 (7) | 0.4560 (4) | 0.8154 (3) | 0.045 (3) | |
C242 | −0.0623 (7) | 0.4988 (4) | 0.8484 (3) | 0.050 (3) | |
H242 | −0.0229 | 0.5261 | 0.8438 | 0.061* | |
C243 | −0.0977 (8) | 0.5014 (5) | 0.8885 (4) | 0.062 (3) | |
H243 | −0.0826 | 0.5305 | 0.9104 | 0.074* | |
C244 | −0.1547 (8) | 0.4608 (5) | 0.8953 (4) | 0.062 (3) | |
H244 | −0.1774 | 0.4618 | 0.9224 | 0.074* | |
C245 | −0.1784 (8) | 0.4190 (5) | 0.8624 (4) | 0.063 (3) | |
H245 | −0.2185 | 0.3920 | 0.8669 | 0.075* | |
C246 | −0.1441 (7) | 0.4162 (5) | 0.8233 (4) | 0.061 (3) | |
H246 | −0.1603 | 0.3870 | 0.8015 | 0.073* | |
C311 | 0.6262 (7) | 0.6622 (4) | 0.9522 (4) | 0.047 (3) | |
C312 | 0.5885 (7) | 0.7078 (4) | 0.9228 (4) | 0.056 (3) | |
H312 | 0.5793 | 0.7065 | 0.8893 | 0.067* | |
C313 | 0.5654 (9) | 0.7546 (5) | 0.9451 (4) | 0.077 (4) | |
H313 | 0.5420 | 0.7855 | 0.9267 | 0.092* | |
C314 | 0.5776 (9) | 0.7547 (5) | 0.9956 (5) | 0.081 (4) | |
H314 | 0.5620 | 0.7855 | 1.0110 | 0.098* | |
C315 | 0.6122 (10) | 0.7097 (5) | 1.0213 (5) | 0.097 (5) | |
H315 | 0.6206 | 0.7104 | 1.0548 | 0.116* | |
C316 | 0.6357 (9) | 0.6630 (5) | 1.0007 (4) | 0.080 (4) | |
H316 | 0.6578 | 0.6322 | 1.0197 | 0.096* | |
C321 | 0.7219 (7) | 0.5582 (4) | 0.9686 (3) | 0.040 (3) | |
C322 | 0.6957 (9) | 0.5219 (5) | 1.0006 (4) | 0.071 (4) | |
H322 | 0.6351 | 0.5165 | 0.9981 | 0.085* | |
C323 | 0.7564 (9) | 0.4950 (5) | 1.0347 (4) | 0.069 (4) | |
H323 | 0.7375 | 0.4698 | 1.0545 | 0.083* | |
C324 | 0.8473 (8) | 0.5038 (4) | 1.0411 (4) | 0.058 (3) | |
H324 | 0.8891 | 0.4859 | 1.0659 | 0.070* | |
C325 | 0.8747 (7) | 0.5392 (5) | 1.0103 (3) | 0.055 (3) | |
H325 | 0.9355 | 0.5448 | 1.0136 | 0.066* | |
C326 | 0.8124 (6) | 0.5666 (4) | 0.9746 (3) | 0.039 (2) | |
H326 | 0.8314 | 0.5911 | 0.9542 | 0.047* | |
C331 | 0.6909 (7) | 0.6113 (4) | 0.8742 (3) | 0.045 (3) | |
C332 | 0.7457 (7) | 0.6559 (4) | 0.8752 (4) | 0.053 (3) | |
H332 | 0.7532 | 0.6812 | 0.9005 | 0.064* | |
C333 | 0.7901 (8) | 0.6647 (5) | 0.8397 (4) | 0.076 (4) | |
H333 | 0.8239 | 0.6965 | 0.8395 | 0.091* | |
C334 | 0.7824 (9) | 0.6239 (6) | 0.8039 (4) | 0.077 (4) | |
H334 | 0.8147 | 0.6275 | 0.7807 | 0.092* | |
C335 | 0.7268 (8) | 0.5781 (5) | 0.8025 (4) | 0.066 (4) | |
H335 | 0.7204 | 0.5520 | 0.7778 | 0.079* | |
C336 | 0.6813 (8) | 0.5715 (4) | 0.8377 (4) | 0.061 (3) | |
H336 | 0.6446 | 0.5409 | 0.8371 | 0.073* | |
C341 | 0.5395 (8) | 0.5628 (4) | 0.9042 (4) | 0.050 (3) | |
C342 | 0.5373 (9) | 0.5066 (5) | 0.8986 (4) | 0.073 (4) | |
H342 | 0.5903 | 0.4865 | 0.9042 | 0.088* | |
C343 | 0.4520 (10) | 0.4788 (5) | 0.8839 (5) | 0.095 (5) | |
H343 | 0.4486 | 0.4405 | 0.8812 | 0.114* | |
C344 | 0.3754 (10) | 0.5109 (6) | 0.8739 (4) | 0.082 (4) | |
H344 | 0.3199 | 0.4936 | 0.8635 | 0.099* | |
C345 | 0.3783 (9) | 0.5660 (6) | 0.8789 (4) | 0.076 (4) | |
H345 | 0.3254 | 0.5863 | 0.8719 | 0.091* | |
C346 | 0.4605 (7) | 0.5927 (5) | 0.8944 (4) | 0.053 (3) | |
H346 | 0.4624 | 0.6310 | 0.8981 | 0.064* | |
C411 | 0.2652 (7) | 1.0838 (4) | 0.9447 (3) | 0.047 (3) | |
C412 | 0.2481 (7) | 1.1345 (5) | 0.9616 (4) | 0.057 (3) | |
H412 | 0.2586 | 1.1663 | 0.9455 | 0.068* | |
C413 | 0.2156 (8) | 1.1395 (5) | 1.0021 (4) | 0.067 (4) | |
H413 | 0.2078 | 1.1742 | 1.0144 | 0.080* | |
C414 | 0.1948 (8) | 1.0923 (6) | 1.0239 (4) | 0.075 (4) | |
H414 | 0.1699 | 1.0954 | 1.0502 | 0.090* | |
C415 | 0.2103 (8) | 1.0405 (6) | 1.0075 (5) | 0.087 (4) | |
H415 | 0.1968 | 1.0090 | 1.0230 | 0.104* | |
C416 | 0.2461 (7) | 1.0353 (5) | 0.9681 (4) | 0.067 (3) | |
H416 | 0.2574 | 1.0005 | 0.9571 | 0.081* | |
C421 | 0.3957 (8) | 1.0300 (4) | 0.9027 (4) | 0.053 (3) | |
C422 | 0.4705 (9) | 1.0435 (5) | 0.9394 (4) | 0.070 (4) | |
H422 | 0.4710 | 1.0749 | 0.9584 | 0.084* | |
C423 | 0.5446 (9) | 1.0094 (6) | 0.9473 (5) | 0.090 (4) | |
H423 | 0.5966 | 1.0191 | 0.9706 | 0.108* | |
C424 | 0.5426 (9) | 0.9608 (5) | 0.9209 (5) | 0.075 (4) | |
H424 | 0.5929 | 0.9381 | 0.9263 | 0.090* | |
C425 | 0.4670 (8) | 0.9472 (5) | 0.8877 (4) | 0.065 (3) | |
H425 | 0.4647 | 0.9140 | 0.8710 | 0.078* | |
C426 | 0.3923 (7) | 0.9810 (5) | 0.8775 (3) | 0.055 (3) | |
H426 | 0.3406 | 0.9709 | 0.8541 | 0.066* | |
C431 | 0.2155 (8) | 1.0484 (4) | 0.8418 (4) | 0.058 (3) | |
C432 | 0.2312 (9) | 1.0460 (5) | 0.7957 (4) | 0.081 (4) | |
H432 | 0.2826 | 1.0613 | 0.7900 | 0.097* | |
C433 | 0.1676 (12) | 1.0201 (7) | 0.7589 (5) | 0.117 (7) | |
H433 | 0.1784 | 1.0150 | 0.7286 | 0.140* | |
C434 | 0.0904 (13) | 1.0023 (7) | 0.7669 (7) | 0.119 (8) | |
H434 | 0.0467 | 0.9878 | 0.7410 | 0.143* | |
C435 | 0.0734 (10) | 1.0046 (6) | 0.8112 (6) | 0.101 (5) | |
H435 | 0.0203 | 0.9901 | 0.8155 | 0.122* | |
C436 | 0.1348 (9) | 1.0285 (5) | 0.8498 (5) | 0.068 (3) | |
H436 | 0.1234 | 1.0313 | 0.8802 | 0.082* | |
C441 | 0.3304 (7) | 1.1432 (4) | 0.8711 (4) | 0.047 (3) | |
C442 | 0.2698 (9) | 1.1725 (5) | 0.8373 (4) | 0.086 (4) | |
H442 | 0.2127 | 1.1580 | 0.8248 | 0.104* | |
C443 | 0.2907 (11) | 1.2232 (6) | 0.8209 (5) | 0.095 (5) | |
H443 | 0.2478 | 1.2422 | 0.7974 | 0.114* | |
C444 | 0.3711 (11) | 1.2451 (5) | 0.8382 (5) | 0.079 (4) | |
H444 | 0.3855 | 1.2786 | 0.8261 | 0.095* | |
C445 | 0.4328 (8) | 1.2184 (5) | 0.8738 (4) | 0.064 (3) | |
H445 | 0.4885 | 1.2344 | 0.8870 | 0.077* | |
C446 | 0.4127 (8) | 1.1677 (5) | 0.8900 (4) | 0.068 (4) | |
H446 | 0.4553 | 1.1497 | 0.9143 | 0.082* |
U11 | U22 | U33 | U12 | U13 | U23 | |
Re1 | 0.0292 (2) | 0.0362 (2) | 0.0359 (2) | −0.00305 (19) | 0.01076 (18) | −0.00008 (17) |
Re2 | 0.0301 (2) | 0.0339 (2) | 0.0362 (2) | −0.00266 (19) | 0.00854 (18) | 0.00180 (17) |
Re3 | 0.0273 (2) | 0.0367 (2) | 0.0370 (2) | 0.00163 (19) | 0.00907 (18) | 0.00139 (18) |
Re4 | 0.0292 (2) | 0.0355 (2) | 0.0355 (2) | −0.00110 (19) | 0.00651 (18) | −0.00079 (17) |
Te1 | 0.0403 (4) | 0.0457 (4) | 0.0368 (4) | −0.0023 (3) | 0.0135 (3) | 0.0012 (3) |
Te2 | 0.0374 (4) | 0.0343 (4) | 0.0449 (4) | −0.0018 (3) | 0.0107 (3) | 0.0027 (3) |
Te3 | 0.0297 (4) | 0.0389 (4) | 0.0499 (4) | 0.0024 (3) | 0.0082 (3) | −0.0021 (3) |
Te4 | 0.0321 (4) | 0.0416 (4) | 0.0378 (4) | −0.0042 (3) | 0.0069 (3) | −0.0012 (3) |
P1 | 0.0451 (18) | 0.0461 (17) | 0.0445 (15) | −0.0014 (14) | 0.0118 (14) | −0.0009 (13) |
P2 | 0.0417 (18) | 0.0497 (18) | 0.0449 (16) | 0.0007 (14) | 0.0138 (14) | −0.0046 (13) |
P3 | 0.0429 (18) | 0.0397 (16) | 0.0484 (17) | 0.0001 (14) | 0.0137 (14) | 0.0002 (13) |
P4 | 0.0461 (19) | 0.0546 (19) | 0.0422 (16) | −0.0030 (15) | 0.0077 (14) | −0.0111 (13) |
O1W | 0.152 (11) | 0.104 (8) | 0.090 (7) | −0.005 (7) | 0.008 (7) | 0.031 (6) |
O2W | 0.166 (12) | 0.107 (8) | 0.123 (8) | −0.017 (8) | −0.066 (8) | −0.020 (7) |
O3W | 0.089 (8) | 0.096 (7) | 0.105 (7) | 0.003 (6) | −0.010 (6) | 0.038 (6) |
N11 | 0.060 (7) | 0.082 (7) | 0.050 (6) | 0.001 (6) | 0.020 (5) | 0.011 (5) |
N12 | 0.063 (7) | 0.056 (6) | 0.074 (6) | −0.016 (5) | 0.039 (6) | −0.016 (5) |
N13 | 0.052 (7) | 0.070 (7) | 0.070 (6) | −0.007 (5) | 0.032 (5) | −0.022 (5) |
N21 | 0.055 (7) | 0.046 (6) | 0.050 (5) | −0.001 (5) | 0.003 (5) | −0.010 (4) |
N22 | 0.084 (8) | 0.040 (6) | 0.062 (6) | 0.006 (5) | 0.010 (6) | 0.022 (5) |
N23 | 0.050 (7) | 0.066 (7) | 0.060 (6) | −0.020 (5) | 0.027 (5) | −0.006 (5) |
N31 | 0.040 (6) | 0.074 (7) | 0.061 (6) | −0.006 (5) | 0.018 (5) | −0.004 (5) |
N32 | 0.054 (7) | 0.063 (7) | 0.066 (6) | 0.021 (5) | 0.019 (5) | −0.014 (5) |
N33 | 0.037 (6) | 0.064 (7) | 0.073 (7) | −0.001 (5) | 0.009 (5) | 0.005 (5) |
N41 | 0.090 (9) | 0.093 (8) | 0.042 (6) | 0.004 (7) | 0.000 (6) | 0.014 (6) |
N42 | 0.049 (6) | 0.035 (5) | 0.086 (7) | −0.014 (5) | 0.018 (6) | −0.011 (5) |
N43 | 0.081 (8) | 0.070 (8) | 0.074 (7) | −0.020 (6) | 0.014 (6) | −0.027 (6) |
C11 | 0.046 (7) | 0.039 (6) | 0.050 (6) | −0.022 (5) | 0.017 (6) | −0.002 (5) |
C12 | 0.056 (8) | 0.029 (6) | 0.061 (7) | −0.009 (6) | 0.023 (6) | −0.016 (5) |
C13 | 0.033 (6) | 0.047 (7) | 0.054 (7) | −0.009 (5) | 0.010 (5) | −0.005 (5) |
C21 | 0.030 (6) | 0.047 (7) | 0.028 (5) | −0.004 (5) | 0.003 (4) | 0.013 (5) |
C22 | 0.050 (8) | 0.044 (7) | 0.054 (7) | −0.009 (6) | 0.013 (6) | 0.004 (5) |
C23 | 0.045 (8) | 0.054 (8) | 0.053 (7) | 0.006 (6) | 0.004 (6) | −0.003 (6) |
C31 | 0.048 (7) | 0.052 (7) | 0.047 (6) | 0.020 (6) | 0.005 (6) | −0.003 (5) |
C32 | 0.053 (8) | 0.055 (7) | 0.034 (6) | −0.002 (6) | 0.007 (5) | −0.007 (5) |
C33 | 0.044 (7) | 0.030 (6) | 0.047 (6) | 0.009 (5) | 0.011 (5) | 0.000 (5) |
C41 | 0.050 (8) | 0.056 (7) | 0.048 (7) | −0.010 (6) | 0.018 (6) | 0.000 (6) |
C42 | 0.035 (6) | 0.029 (6) | 0.051 (6) | −0.012 (5) | 0.013 (5) | −0.006 (5) |
C43 | 0.031 (6) | 0.046 (7) | 0.063 (7) | −0.010 (5) | 0.003 (6) | −0.016 (6) |
C111 | 0.049 (8) | 0.061 (8) | 0.057 (7) | −0.001 (6) | 0.019 (6) | 0.007 (6) |
C112 | 0.041 (8) | 0.084 (10) | 0.083 (9) | −0.008 (7) | 0.032 (7) | −0.011 (7) |
C113 | 0.079 (11) | 0.092 (11) | 0.079 (9) | −0.019 (9) | 0.027 (8) | −0.035 (8) |
C114 | 0.035 (8) | 0.181 (17) | 0.058 (8) | 0.018 (10) | 0.021 (7) | 0.001 (10) |
C115 | 0.064 (10) | 0.107 (12) | 0.092 (10) | 0.010 (9) | 0.044 (9) | 0.031 (9) |
C116 | 0.060 (9) | 0.073 (9) | 0.078 (9) | −0.001 (7) | 0.029 (7) | 0.006 (7) |
C121 | 0.023 (6) | 0.067 (8) | 0.046 (6) | 0.005 (5) | 0.010 (5) | −0.010 (5) |
C122 | 0.066 (9) | 0.078 (9) | 0.054 (7) | 0.009 (7) | 0.023 (7) | 0.009 (6) |
C123 | 0.047 (8) | 0.076 (9) | 0.070 (8) | 0.011 (7) | 0.009 (7) | 0.018 (7) |
C124 | 0.066 (10) | 0.060 (9) | 0.085 (10) | 0.015 (7) | 0.011 (8) | −0.018 (7) |
C125 | 0.043 (8) | 0.126 (13) | 0.069 (9) | 0.021 (8) | 0.019 (7) | 0.017 (8) |
C126 | 0.080 (10) | 0.067 (9) | 0.067 (8) | 0.004 (8) | 0.031 (8) | 0.002 (7) |
C131 | 0.076 (9) | 0.033 (7) | 0.052 (7) | 0.002 (6) | 0.011 (7) | −0.001 (5) |
C132 | 0.074 (9) | 0.039 (7) | 0.038 (6) | 0.002 (6) | 0.006 (6) | 0.014 (5) |
C133 | 0.097 (12) | 0.060 (8) | 0.053 (8) | −0.006 (8) | 0.026 (8) | −0.013 (6) |
C134 | 0.074 (11) | 0.067 (10) | 0.074 (9) | −0.026 (8) | −0.010 (8) | −0.008 (7) |
C135 | 0.066 (10) | 0.069 (10) | 0.105 (11) | 0.000 (8) | −0.012 (8) | −0.009 (8) |
C136 | 0.080 (11) | 0.070 (10) | 0.093 (10) | 0.001 (8) | −0.001 (9) | −0.034 (8) |
C141 | 0.049 (7) | 0.051 (7) | 0.034 (6) | 0.000 (6) | 0.002 (5) | −0.003 (5) |
C142 | 0.052 (8) | 0.069 (9) | 0.051 (7) | −0.002 (7) | 0.007 (6) | −0.008 (6) |
C143 | 0.099 (12) | 0.063 (9) | 0.057 (8) | 0.027 (8) | 0.022 (8) | 0.004 (7) |
C144 | 0.075 (10) | 0.047 (8) | 0.106 (11) | −0.004 (7) | 0.036 (9) | 0.005 (8) |
C145 | 0.069 (10) | 0.082 (11) | 0.079 (10) | −0.014 (8) | −0.003 (8) | 0.016 (8) |
C146 | 0.066 (9) | 0.074 (9) | 0.049 (7) | −0.004 (7) | 0.004 (6) | 0.026 (7) |
C211 | 0.026 (6) | 0.033 (6) | 0.076 (8) | 0.001 (5) | 0.019 (6) | −0.014 (5) |
C212 | 0.090 (11) | 0.058 (8) | 0.060 (8) | 0.020 (7) | 0.014 (8) | 0.023 (6) |
C213 | 0.078 (12) | 0.083 (11) | 0.139 (14) | 0.026 (10) | 0.006 (11) | 0.037 (10) |
C214 | 0.028 (9) | 0.125 (15) | 0.152 (16) | 0.020 (9) | 0.002 (10) | −0.036 (13) |
C215 | 0.039 (9) | 0.102 (12) | 0.107 (12) | 0.007 (8) | 0.018 (9) | −0.036 (10) |
C216 | 0.056 (9) | 0.092 (10) | 0.069 (8) | −0.010 (8) | 0.011 (8) | −0.027 (7) |
C221 | 0.034 (6) | 0.042 (6) | 0.042 (6) | −0.003 (5) | 0.010 (5) | −0.001 (5) |
C222 | 0.030 (6) | 0.059 (7) | 0.051 (6) | 0.007 (5) | 0.012 (5) | −0.012 (5) |
C223 | 0.032 (7) | 0.072 (9) | 0.073 (8) | 0.002 (6) | 0.007 (6) | −0.025 (7) |
C224 | 0.047 (8) | 0.088 (10) | 0.053 (7) | −0.011 (7) | 0.010 (6) | −0.021 (6) |
C225 | 0.043 (8) | 0.081 (9) | 0.053 (7) | −0.013 (7) | −0.004 (6) | −0.005 (7) |
C226 | 0.042 (7) | 0.067 (8) | 0.058 (7) | 0.000 (6) | 0.017 (6) | −0.005 (6) |
C231 | 0.047 (7) | 0.062 (8) | 0.035 (6) | −0.004 (6) | 0.006 (5) | −0.005 (5) |
C232 | 0.070 (9) | 0.056 (8) | 0.073 (9) | −0.009 (7) | 0.029 (8) | 0.005 (7) |
C233 | 0.124 (15) | 0.100 (13) | 0.074 (10) | 0.027 (11) | 0.032 (10) | 0.035 (9) |
C234 | 0.128 (16) | 0.075 (11) | 0.102 (13) | −0.017 (11) | 0.063 (12) | 0.016 (10) |
C235 | 0.152 (17) | 0.059 (10) | 0.104 (12) | −0.074 (10) | 0.070 (12) | −0.029 (9) |
C236 | 0.075 (10) | 0.085 (10) | 0.054 (8) | −0.011 (8) | 0.013 (7) | −0.011 (7) |
C241 | 0.041 (7) | 0.049 (7) | 0.050 (6) | −0.002 (5) | 0.022 (5) | −0.001 (5) |
C242 | 0.046 (7) | 0.060 (8) | 0.047 (6) | −0.004 (6) | 0.014 (6) | −0.010 (6) |
C243 | 0.061 (9) | 0.073 (9) | 0.047 (7) | −0.009 (7) | 0.007 (6) | −0.014 (6) |
C244 | 0.059 (9) | 0.070 (9) | 0.066 (8) | 0.000 (7) | 0.033 (7) | −0.003 (7) |
C245 | 0.053 (8) | 0.065 (9) | 0.069 (8) | −0.007 (7) | 0.014 (7) | −0.005 (7) |
C246 | 0.057 (8) | 0.073 (9) | 0.063 (8) | 0.007 (7) | 0.035 (7) | 0.000 (6) |
C311 | 0.047 (7) | 0.038 (6) | 0.055 (7) | 0.003 (5) | 0.011 (6) | 0.000 (5) |
C312 | 0.068 (9) | 0.044 (7) | 0.052 (7) | 0.016 (6) | 0.011 (6) | 0.005 (6) |
C313 | 0.101 (12) | 0.062 (9) | 0.072 (9) | −0.022 (8) | 0.029 (8) | 0.006 (7) |
C314 | 0.090 (11) | 0.055 (9) | 0.093 (10) | 0.009 (8) | 0.013 (9) | −0.030 (8) |
C315 | 0.134 (15) | 0.067 (10) | 0.073 (9) | 0.033 (10) | −0.003 (9) | −0.013 (8) |
C316 | 0.105 (12) | 0.079 (10) | 0.051 (8) | 0.047 (8) | 0.013 (8) | 0.009 (7) |
C321 | 0.052 (7) | 0.028 (6) | 0.042 (6) | 0.004 (5) | 0.015 (5) | 0.002 (4) |
C322 | 0.067 (9) | 0.059 (8) | 0.093 (9) | −0.012 (7) | 0.033 (8) | 0.027 (7) |
C323 | 0.075 (10) | 0.066 (9) | 0.072 (9) | 0.007 (8) | 0.028 (8) | 0.030 (7) |
C324 | 0.068 (9) | 0.046 (7) | 0.061 (7) | 0.020 (7) | 0.018 (7) | 0.013 (6) |
C325 | 0.039 (7) | 0.085 (9) | 0.045 (6) | −0.002 (6) | 0.019 (6) | 0.001 (6) |
C326 | 0.027 (6) | 0.048 (7) | 0.043 (6) | 0.001 (5) | 0.011 (5) | 0.005 (5) |
C331 | 0.049 (7) | 0.048 (7) | 0.040 (6) | −0.001 (6) | 0.014 (5) | 0.002 (5) |
C332 | 0.066 (8) | 0.043 (7) | 0.053 (7) | −0.025 (6) | 0.021 (6) | 0.007 (5) |
C333 | 0.068 (10) | 0.092 (10) | 0.063 (8) | −0.041 (8) | 0.009 (7) | −0.004 (7) |
C334 | 0.066 (10) | 0.113 (12) | 0.051 (8) | 0.002 (9) | 0.015 (7) | 0.028 (8) |
C335 | 0.070 (10) | 0.086 (10) | 0.044 (7) | 0.007 (8) | 0.020 (7) | −0.005 (6) |
C336 | 0.065 (9) | 0.053 (8) | 0.064 (8) | −0.001 (6) | 0.015 (7) | 0.007 (6) |
C341 | 0.060 (8) | 0.025 (6) | 0.062 (7) | 0.004 (6) | 0.014 (6) | −0.002 (5) |
C342 | 0.071 (10) | 0.055 (8) | 0.106 (10) | 0.003 (7) | 0.046 (8) | 0.010 (7) |
C343 | 0.083 (12) | 0.050 (9) | 0.154 (14) | −0.026 (8) | 0.035 (11) | −0.043 (9) |
C344 | 0.082 (12) | 0.095 (12) | 0.076 (9) | −0.023 (10) | 0.032 (9) | −0.016 (9) |
C345 | 0.069 (10) | 0.076 (10) | 0.088 (10) | −0.006 (8) | 0.029 (8) | −0.019 (8) |
C346 | 0.044 (8) | 0.050 (7) | 0.068 (8) | 0.000 (6) | 0.018 (6) | −0.003 (6) |
C411 | 0.046 (7) | 0.047 (7) | 0.048 (6) | −0.002 (6) | 0.014 (6) | −0.014 (5) |
C412 | 0.050 (8) | 0.068 (8) | 0.059 (7) | 0.009 (6) | 0.027 (6) | −0.001 (6) |
C413 | 0.094 (11) | 0.062 (8) | 0.048 (7) | 0.005 (7) | 0.025 (7) | −0.017 (6) |
C414 | 0.077 (10) | 0.098 (11) | 0.064 (8) | 0.011 (9) | 0.041 (8) | 0.004 (8) |
C415 | 0.065 (10) | 0.118 (13) | 0.093 (10) | −0.016 (9) | 0.049 (9) | 0.002 (9) |
C416 | 0.050 (8) | 0.058 (8) | 0.100 (10) | −0.015 (6) | 0.030 (7) | −0.023 (7) |
C421 | 0.055 (8) | 0.051 (7) | 0.051 (7) | −0.017 (6) | 0.012 (6) | −0.006 (6) |
C422 | 0.079 (10) | 0.046 (8) | 0.075 (9) | 0.007 (7) | 0.001 (8) | 0.000 (6) |
C423 | 0.076 (11) | 0.084 (11) | 0.093 (11) | 0.004 (9) | −0.005 (9) | 0.018 (9) |
C424 | 0.055 (9) | 0.064 (9) | 0.110 (11) | 0.024 (8) | 0.030 (9) | 0.011 (8) |
C425 | 0.051 (9) | 0.072 (9) | 0.071 (9) | −0.004 (7) | 0.015 (7) | −0.012 (7) |
C426 | 0.045 (8) | 0.066 (8) | 0.047 (7) | −0.005 (6) | 0.003 (6) | −0.020 (6) |
C431 | 0.047 (8) | 0.048 (7) | 0.079 (9) | −0.006 (6) | 0.016 (7) | −0.016 (6) |
C432 | 0.097 (12) | 0.085 (10) | 0.059 (8) | 0.011 (8) | 0.015 (8) | −0.023 (7) |
C433 | 0.118 (16) | 0.141 (16) | 0.065 (10) | 0.026 (13) | −0.024 (11) | −0.056 (10) |
C434 | 0.124 (18) | 0.087 (13) | 0.101 (14) | 0.021 (12) | −0.053 (14) | −0.032 (11) |
C435 | 0.071 (11) | 0.084 (12) | 0.125 (13) | −0.020 (9) | −0.017 (12) | 0.015 (11) |
C436 | 0.062 (9) | 0.061 (9) | 0.083 (9) | −0.005 (7) | 0.020 (8) | −0.006 (7) |
C441 | 0.047 (7) | 0.040 (7) | 0.052 (7) | 0.002 (6) | 0.007 (6) | 0.003 (5) |
C442 | 0.083 (11) | 0.074 (10) | 0.077 (9) | −0.010 (8) | −0.023 (8) | 0.011 (8) |
C443 | 0.093 (13) | 0.093 (13) | 0.089 (11) | 0.019 (10) | 0.004 (10) | 0.024 (9) |
C444 | 0.116 (14) | 0.076 (10) | 0.063 (9) | 0.007 (10) | 0.055 (9) | 0.022 (8) |
C445 | 0.059 (9) | 0.047 (8) | 0.096 (10) | −0.023 (7) | 0.038 (8) | −0.001 (7) |
C446 | 0.059 (9) | 0.064 (9) | 0.089 (9) | −0.004 (7) | 0.034 (8) | 0.003 (7) |
Re1—Re2 | 2.8820 (5) | C223—C224 | 1.369 (14) |
Re1—Re3 | 2.8707 (5) | C223—H223 | 0.9300 |
Re1—Re4 | 2.8898 (5) | C224—C225 | 1.377 (14) |
Re2—Re3 | 2.8818 (6) | C224—H224 | 0.9300 |
Re2—Re4 | 2.8873 (6) | C225—C226 | 1.382 (13) |
Re3—Re4 | 2.8743 (6) | C225—H225 | 0.9300 |
Re1—Te2 | 2.6324 (7) | C226—H226 | 0.9300 |
Re1—Te3 | 2.6317 (7) | C231—C232 | 1.362 (14) |
Re1—Te4 | 2.6300 (8) | C231—C236 | 1.398 (14) |
Re2—Te1 | 2.6426 (7) | C232—C233 | 1.377 (15) |
Re2—Te3 | 2.6334 (8) | C232—H232 | 0.9300 |
Re2—Te4 | 2.6269 (7) | C233—C234 | 1.412 (19) |
Re3—Te1 | 2.6171 (7) | C233—H233 | 0.9300 |
Re3—Te2 | 2.6345 (8) | C234—C235 | 1.312 (18) |
Re3—Te4 | 2.6312 (7) | C234—H234 | 0.9300 |
Re4—Te1 | 2.6235 (7) | C235—C236 | 1.404 (16) |
Re4—Te2 | 2.6280 (7) | C235—H235 | 0.9300 |
Re4—Te3 | 2.6251 (7) | C236—H236 | 0.9300 |
Re1—C11 | 2.122 (10) | C241—C246 | 1.381 (13) |
Re1—C12 | 2.105 (11) | C241—C242 | 1.381 (12) |
Re1—C13 | 2.093 (10) | C242—C243 | 1.393 (12) |
Re2—C21 | 2.078 (10) | C242—H242 | 0.9300 |
Re2—C22 | 2.121 (11) | C243—C244 | 1.365 (14) |
Re2—C23 | 2.113 (12) | C243—H243 | 0.9300 |
Re3—C31 | 2.109 (12) | C244—C245 | 1.363 (14) |
Re3—C32 | 2.092 (10) | C244—H244 | 0.9300 |
Re3—C33 | 2.095 (10) | C245—C246 | 1.357 (13) |
Re4—C41 | 2.110 (11) | C245—H245 | 0.9300 |
Re4—C42 | 2.114 (10) | C246—H246 | 0.9300 |
Re4—C43 | 2.116 (10) | C311—C316 | 1.354 (13) |
N11—C11 | 1.139 (11) | C311—C312 | 1.415 (13) |
N12—C12 | 1.133 (11) | C312—C313 | 1.388 (14) |
N13—C13 | 1.147 (11) | C312—H312 | 0.9300 |
N21—C21 | 1.180 (11) | C313—C314 | 1.404 (14) |
N22—C22 | 1.137 (11) | C313—H313 | 0.9300 |
N23—C23 | 1.147 (12) | C314—C315 | 1.342 (15) |
N31—C31 | 1.134 (12) | C314—H314 | 0.9300 |
N32—C32 | 1.166 (11) | C315—C316 | 1.366 (14) |
N33—C33 | 1.155 (11) | C315—H315 | 0.9300 |
N41—C41 | 1.137 (12) | C316—H316 | 0.9300 |
N42—C42 | 1.124 (11) | C321—C326 | 1.380 (12) |
N43—C43 | 1.137 (11) | C321—C322 | 1.402 (12) |
P1—C131 | 1.785 (11) | C322—C323 | 1.331 (14) |
P1—C121 | 1.790 (10) | C322—H322 | 0.9300 |
P1—C141 | 1.792 (10) | C323—C324 | 1.385 (15) |
P1—C111 | 1.802 (10) | C323—H323 | 0.9300 |
P2—C221 | 1.774 (10) | C324—C325 | 1.371 (13) |
P2—C211 | 1.782 (10) | C324—H324 | 0.9300 |
P2—C241 | 1.782 (9) | C325—C326 | 1.376 (13) |
P2—C231 | 1.806 (11) | C325—H325 | 0.9300 |
P3—C321 | 1.785 (10) | C326—H326 | 0.9300 |
P3—C341 | 1.786 (11) | C331—C332 | 1.368 (12) |
P3—C331 | 1.791 (9) | C331—C336 | 1.397 (13) |
P3—C311 | 1.794 (10) | C332—C333 | 1.381 (13) |
P4—C411 | 1.778 (10) | C332—H332 | 0.9300 |
P4—C441 | 1.790 (10) | C333—C334 | 1.402 (15) |
P4—C431 | 1.791 (11) | C333—H333 | 0.9300 |
P4—C421 | 1.814 (12) | C334—C335 | 1.397 (15) |
C111—C112 | 1.373 (14) | C334—H334 | 0.9300 |
C111—C116 | 1.384 (14) | C335—C336 | 1.377 (13) |
C112—C113 | 1.372 (14) | C335—H335 | 0.9300 |
C112—H112 | 0.9300 | C336—H336 | 0.9300 |
C113—C114 | 1.372 (17) | C341—C342 | 1.367 (13) |
C113—H113 | 0.9300 | C341—C346 | 1.383 (13) |
C114—C115 | 1.368 (17) | C342—C343 | 1.442 (16) |
C114—H114 | 0.9300 | C342—H342 | 0.9300 |
C115—C116 | 1.374 (14) | C343—C344 | 1.381 (17) |
C115—H115 | 0.9300 | C343—H343 | 0.9300 |
C116—H116 | 0.9300 | C344—C345 | 1.338 (16) |
C121—C122 | 1.385 (13) | C344—H344 | 0.9300 |
C121—C126 | 1.389 (13) | C345—C346 | 1.392 (15) |
C122—C123 | 1.332 (14) | C345—H345 | 0.9300 |
C122—H122 | 0.9300 | C346—H346 | 0.9300 |
C123—C124 | 1.382 (14) | C411—C412 | 1.369 (13) |
C123—H123 | 0.9300 | C411—C416 | 1.417 (14) |
C124—C125 | 1.360 (14) | C412—C413 | 1.380 (12) |
C124—H124 | 0.9300 | C412—H412 | 0.9300 |
C125—C126 | 1.392 (15) | C413—C414 | 1.378 (15) |
C125—H125 | 0.9300 | C413—H413 | 0.9300 |
C126—H126 | 0.9300 | C414—C415 | 1.381 (16) |
C131—C136 | 1.340 (16) | C414—H414 | 0.9300 |
C131—C132 | 1.394 (13) | C415—C416 | 1.384 (14) |
C132—C133 | 1.436 (14) | C415—H415 | 0.9300 |
C132—H132 | 0.9300 | C416—H416 | 0.9300 |
C133—C134 | 1.330 (16) | C421—C426 | 1.379 (13) |
C133—H133 | 0.9300 | C421—C422 | 1.381 (14) |
C134—C135 | 1.358 (16) | C422—C423 | 1.382 (16) |
C134—H134 | 0.9300 | C422—H422 | 0.9300 |
C135—C136 | 1.381 (15) | C423—C424 | 1.392 (16) |
C135—H135 | 0.9300 | C423—H423 | 0.9300 |
C136—H136 | 0.9300 | C424—C425 | 1.338 (15) |
C141—C142 | 1.368 (13) | C424—H424 | 0.9300 |
C141—C146 | 1.375 (14) | C425—C426 | 1.383 (14) |
C142—C143 | 1.378 (14) | C425—H425 | 0.9300 |
C142—H142 | 0.9300 | C426—H426 | 0.9300 |
C143—C144 | 1.360 (15) | C431—C432 | 1.398 (14) |
C143—H143 | 0.9300 | C431—C436 | 1.412 (14) |
C144—C145 | 1.375 (15) | C432—C433 | 1.386 (17) |
C144—H144 | 0.9300 | C432—H432 | 0.9300 |
C145—C146 | 1.380 (14) | C433—C434 | 1.34 (2) |
C145—H145 | 0.9300 | C433—H433 | 0.9300 |
C146—H146 | 0.9300 | C434—C435 | 1.356 (19) |
C211—C212 | 1.376 (13) | C434—H434 | 0.9300 |
C211—C216 | 1.400 (14) | C435—C436 | 1.379 (16) |
C212—C213 | 1.391 (17) | C435—H435 | 0.9300 |
C212—H212 | 0.9300 | C436—H436 | 0.9300 |
C213—C214 | 1.343 (18) | C441—C442 | 1.355 (14) |
C213—H213 | 0.9300 | C441—C446 | 1.379 (14) |
C214—C215 | 1.356 (18) | C442—C443 | 1.382 (16) |
C214—H214 | 0.9300 | C442—H442 | 0.9300 |
C215—C216 | 1.359 (16) | C443—C444 | 1.322 (17) |
C215—H215 | 0.9300 | C443—H443 | 0.9300 |
C216—H216 | 0.9300 | C444—C445 | 1.360 (16) |
C221—C222 | 1.370 (12) | C444—H444 | 0.9300 |
C221—C226 | 1.389 (13) | C445—C446 | 1.374 (13) |
C222—C223 | 1.377 (12) | C445—H445 | 0.9300 |
C222—H222 | 0.9300 | C446—H446 | 0.9300 |
Re1—Re2—Re4 | 60.118 (13) | C134—C135—C136 | 117.9 (13) |
Re1—Re3—Re2 | 60.132 (13) | C134—C135—H135 | 121.0 |
Re1—Re3—Re4 | 60.399 (13) | C136—C135—H135 | 121.0 |
Re2—Re1—Re4 | 60.032 (13) | C131—C136—C135 | 122.6 (13) |
Re2—Re4—Re1 | 59.850 (13) | C131—C136—H136 | 118.7 |
Re3—Re1—Re2 | 60.124 (13) | C135—C136—H136 | 118.7 |
Re3—Re1—Re4 | 59.862 (13) | C142—C141—C146 | 119.0 (10) |
Re3—Re2—Re1 | 59.744 (13) | C142—C141—P1 | 124.3 (9) |
Re3—Re2—Re4 | 59.765 (14) | C146—C141—P1 | 116.6 (8) |
Re3—Re4—Re1 | 59.740 (13) | C141—C142—C143 | 121.7 (11) |
Re3—Re4—Re2 | 60.022 (14) | C141—C142—H142 | 119.2 |
Re4—Re3—Re2 | 60.214 (14) | C143—C142—H142 | 119.2 |
Te1—Re3—Te2 | 109.13 (2) | C144—C143—C142 | 119.3 (12) |
Te1—Re3—Te4 | 109.38 (2) | C144—C143—H143 | 120.4 |
Te1—Re4—Te2 | 109.13 (2) | C142—C143—H143 | 120.4 |
Te1—Re4—Te3 | 109.66 (2) | C143—C144—C145 | 119.7 (12) |
Te3—Re1—Te2 | 108.54 (2) | C143—C144—H144 | 120.2 |
Te3—Re2—Te1 | 108.82 (2) | C145—C144—H144 | 120.2 |
Te3—Re4—Te2 | 108.88 (2) | C144—C145—C146 | 120.9 (12) |
Te4—Re1—Te2 | 109.67 (2) | C144—C145—H145 | 119.5 |
Te4—Re1—Te3 | 109.28 (2) | C146—C145—H145 | 119.5 |
Te4—Re2—Te1 | 108.73 (2) | C141—C146—C145 | 119.4 (11) |
Te4—Re2—Te3 | 109.32 (2) | C141—C146—H146 | 120.3 |
Te4—Re1—Re4 | 105.433 (19) | C145—C146—H146 | 120.3 |
Te4—Re3—Te2 | 109.56 (2) | C212—C211—C216 | 119.3 (11) |
Te3—Re1—Re4 | 56.543 (17) | C212—C211—P2 | 120.8 (9) |
Te2—Re1—Re4 | 56.604 (17) | C216—C211—P2 | 119.9 (9) |
Te4—Re1—Re3 | 56.952 (17) | C211—C212—C213 | 117.8 (12) |
Te3—Re1—Re3 | 105.358 (19) | C211—C212—H212 | 121.1 |
Te2—Re1—Re3 | 57.007 (17) | C213—C212—H212 | 121.1 |
Te4—Re1—Re2 | 56.704 (17) | C214—C213—C212 | 122.3 (14) |
Te3—Re1—Re2 | 56.840 (18) | C214—C213—H213 | 118.9 |
Te2—Re1—Re2 | 105.680 (19) | C212—C213—H213 | 118.9 |
Te4—Re2—Re3 | 56.837 (17) | C213—C214—C215 | 119.7 (14) |
Te3—Re2—Re3 | 105.00 (2) | C213—C214—H214 | 120.1 |
Te1—Re2—Re3 | 56.353 (17) | C215—C214—H214 | 120.1 |
Te4—Re2—Re1 | 56.804 (17) | C214—C215—C216 | 120.4 (14) |
Te3—Re2—Re1 | 56.785 (17) | C214—C215—H215 | 119.8 |
Te1—Re2—Re1 | 105.03 (2) | C216—C215—H215 | 119.8 |
Te4—Re2—Re4 | 105.58 (2) | C215—C216—C211 | 120.3 (13) |
Te3—Re2—Re4 | 56.559 (17) | C215—C216—H216 | 119.9 |
Te1—Re2—Re4 | 56.434 (18) | C211—C216—H216 | 119.9 |
Te1—Re3—Re1 | 106.03 (2) | C222—C221—C226 | 117.7 (9) |
Te4—Re3—Re1 | 56.910 (17) | C222—C221—P2 | 121.0 (8) |
Te2—Re3—Re1 | 56.936 (17) | C226—C221—P2 | 121.2 (8) |
Te1—Re3—Re4 | 56.846 (18) | C221—C222—C223 | 123.2 (10) |
Te4—Re3—Re4 | 105.84 (2) | C221—C222—H222 | 118.4 |
Te2—Re3—Re4 | 56.785 (18) | C223—C222—H222 | 118.4 |
Te1—Re3—Re2 | 57.203 (18) | C224—C223—C222 | 118.0 (10) |
Te4—Re3—Re2 | 56.695 (17) | C224—C223—H223 | 121.0 |
Te2—Re3—Re2 | 105.63 (2) | C222—C223—H223 | 121.0 |
Te1—Re4—Re3 | 56.631 (18) | C223—C224—C225 | 120.8 (11) |
Te3—Re4—Re3 | 105.43 (2) | C223—C224—H224 | 119.6 |
Te2—Re4—Re3 | 57.003 (18) | C225—C224—H224 | 119.6 |
Te1—Re4—Re2 | 57.069 (18) | C224—C225—C226 | 119.9 (11) |
Te3—Re4—Re2 | 56.834 (18) | C224—C225—H225 | 120.0 |
Te2—Re4—Re2 | 105.65 (2) | C226—C225—H225 | 120.0 |
Te1—Re4—Re1 | 105.32 (2) | C225—C226—C221 | 120.2 (10) |
Te3—Re4—Re1 | 56.762 (17) | C225—C226—H226 | 119.9 |
Te2—Re4—Re1 | 56.750 (17) | C221—C226—H226 | 119.9 |
Re3—Te1—Re4 | 66.524 (19) | C232—C231—C236 | 119.6 (11) |
Re3—Te1—Re2 | 66.444 (18) | C232—C231—P2 | 122.2 (9) |
Re4—Te1—Re2 | 66.497 (18) | C236—C231—P2 | 118.1 (9) |
Re4—Te2—Re1 | 66.646 (19) | C231—C232—C233 | 120.8 (12) |
Re4—Te2—Re3 | 66.212 (19) | C231—C232—H232 | 119.6 |
Re1—Te2—Re3 | 66.057 (19) | C233—C232—H232 | 119.6 |
Re4—Te3—Re1 | 66.695 (19) | C232—C233—C234 | 118.3 (14) |
Re4—Te3—Re2 | 66.607 (19) | C232—C233—H233 | 120.8 |
Re1—Te3—Re2 | 66.374 (19) | C234—C233—H233 | 120.8 |
Re2—Te4—Re1 | 66.492 (19) | C235—C234—C233 | 121.4 (14) |
Re2—Te4—Re3 | 66.468 (18) | C235—C234—H234 | 119.3 |
Re1—Te4—Re3 | 66.138 (19) | C233—C234—H234 | 119.3 |
C13—Re1—C12 | 79.6 (4) | C234—C235—C236 | 120.3 (13) |
C13—Re1—C11 | 81.4 (4) | C234—C235—H235 | 119.9 |
C12—Re1—C11 | 81.8 (4) | C236—C235—H235 | 119.9 |
C13—Re1—Te4 | 82.9 (3) | C231—C236—C235 | 119.1 (12) |
C12—Re1—Te4 | 157.2 (3) | C231—C236—H236 | 120.5 |
C11—Re1—Te4 | 81.3 (3) | C235—C236—H236 | 120.5 |
C13—Re1—Te3 | 81.7 (3) | C246—C241—C242 | 118.5 (9) |
C12—Re1—Te3 | 82.5 (3) | C246—C241—P2 | 121.4 (8) |
C11—Re1—Te3 | 158.8 (3) | C242—C241—P2 | 119.8 (8) |
C13—Re1—Te2 | 158.9 (3) | C241—C242—C243 | 120.3 (10) |
C12—Re1—Te2 | 83.5 (2) | C241—C242—H242 | 119.9 |
C11—Re1—Te2 | 83.8 (3) | C243—C242—H242 | 119.9 |
C13—Re1—Re3 | 139.6 (3) | C244—C243—C242 | 119.5 (10) |
C12—Re1—Re3 | 140.3 (2) | C244—C243—H243 | 120.3 |
C11—Re1—Re3 | 95.8 (3) | C242—C243—H243 | 120.3 |
C13—Re1—Re2 | 95.4 (3) | C245—C244—C243 | 120.2 (10) |
C12—Re1—Re2 | 139.3 (3) | C245—C244—H244 | 119.9 |
C11—Re1—Re2 | 137.9 (3) | C243—C244—H244 | 119.9 |
C13—Re1—Re4 | 138.1 (3) | C246—C245—C244 | 120.6 (11) |
C12—Re1—Re4 | 97.3 (3) | C246—C245—H245 | 119.7 |
C11—Re1—Re4 | 140.0 (3) | C244—C245—H245 | 119.7 |
C21—Re2—C23 | 79.7 (4) | C245—C246—C241 | 120.9 (11) |
C21—Re2—C22 | 82.4 (4) | C245—C246—H246 | 119.5 |
C23—Re2—C22 | 79.8 (4) | C241—C246—H246 | 119.5 |
C21—Re2—Te4 | 81.2 (2) | C316—C311—C312 | 120.8 (10) |
C23—Re2—Te4 | 83.4 (3) | C316—C311—P3 | 118.6 (9) |
C22—Re2—Te4 | 158.3 (3) | C312—C311—P3 | 119.7 (8) |
C21—Re2—Te3 | 83.4 (3) | C313—C312—C311 | 118.6 (10) |
C23—Re2—Te3 | 157.0 (3) | C313—C312—H312 | 120.7 |
C22—Re2—Te3 | 82.7 (3) | C311—C312—H312 | 120.7 |
C21—Re2—Te1 | 159.5 (2) | C312—C313—C314 | 119.2 (12) |
C23—Re2—Te1 | 83.7 (3) | C312—C313—H313 | 120.4 |
C22—Re2—Te1 | 83.0 (3) | C314—C313—H313 | 120.4 |
C21—Re2—Re3 | 137.8 (2) | C315—C314—C313 | 119.3 (12) |
C23—Re2—Re3 | 98.0 (3) | C315—C314—H314 | 120.4 |
C22—Re2—Re3 | 139.1 (3) | C313—C314—H314 | 120.4 |
C21—Re2—Re1 | 95.4 (2) | C314—C315—C316 | 123.1 (13) |
C23—Re2—Re1 | 140.1 (3) | C314—C315—H315 | 118.4 |
C22—Re2—Re1 | 139.3 (3) | C316—C315—H315 | 118.4 |
C21—Re2—Re4 | 139.7 (2) | C311—C316—C315 | 118.8 (11) |
C23—Re2—Re4 | 140.0 (3) | C311—C316—H316 | 120.6 |
C22—Re2—Re4 | 96.1 (3) | C315—C316—H316 | 120.6 |
C32—Re3—C33 | 78.7 (4) | C326—C321—C322 | 117.9 (10) |
C32—Re3—C31 | 81.3 (4) | C326—C321—P3 | 118.8 (7) |
C33—Re3—C31 | 81.3 (4) | C322—C321—P3 | 123.1 (9) |
C32—Re3—Te1 | 83.2 (3) | C323—C322—C321 | 120.9 (12) |
C33—Re3—Te1 | 156.8 (3) | C323—C322—H322 | 119.6 |
C31—Re3—Te1 | 81.5 (3) | C321—C322—H322 | 119.6 |
C32—Re3—Te4 | 158.1 (3) | C322—C323—C324 | 121.3 (11) |
C33—Re3—Te4 | 84.0 (2) | C322—C323—H323 | 119.4 |
C31—Re3—Te4 | 83.0 (3) | C324—C323—H323 | 119.4 |
C32—Re3—Te2 | 81.5 (3) | C325—C324—C323 | 119.0 (10) |
C33—Re3—Te2 | 82.7 (3) | C325—C324—H324 | 120.5 |
C31—Re3—Te2 | 158.4 (3) | C323—C324—H324 | 120.5 |
C32—Re3—Re1 | 138.3 (3) | C324—C325—C326 | 120.1 (10) |
C33—Re3—Re1 | 97.2 (3) | C324—C325—H325 | 120.0 |
C31—Re3—Re1 | 139.7 (3) | C326—C325—H325 | 120.0 |
C32—Re3—Re4 | 96.0 (3) | C325—C326—C321 | 120.8 (9) |
C33—Re3—Re4 | 139.4 (3) | C325—C326—H326 | 119.6 |
C31—Re3—Re4 | 138.2 (3) | C321—C326—H326 | 119.6 |
C32—Re3—Re2 | 140.2 (3) | C332—C331—C336 | 120.2 (9) |
C33—Re3—Re2 | 140.5 (2) | C332—C331—P3 | 119.9 (8) |
C31—Re3—Re2 | 95.9 (3) | C336—C331—P3 | 119.2 (8) |
C41—Re4—C42 | 79.9 (4) | C331—C332—C333 | 122.0 (10) |
C41—Re4—C43 | 80.4 (4) | C331—C332—H332 | 119.0 |
C42—Re4—C43 | 79.0 (4) | C333—C332—H332 | 119.0 |
C41—Re4—Te1 | 83.0 (3) | C332—C333—C334 | 117.6 (11) |
C42—Re4—Te1 | 156.0 (2) | C332—C333—H333 | 121.2 |
C43—Re4—Te1 | 81.7 (3) | C334—C333—H333 | 121.2 |
C41—Re4—Te3 | 81.6 (3) | C335—C334—C333 | 120.8 (11) |
C42—Re4—Te3 | 84.4 (2) | C335—C334—H334 | 119.6 |
C43—Re4—Te3 | 157.4 (3) | C333—C334—H334 | 119.6 |
C41—Re4—Te2 | 159.0 (3) | C336—C335—C334 | 120.0 (11) |
C42—Re4—Te2 | 83.0 (3) | C336—C335—H335 | 120.0 |
C43—Re4—Te2 | 84.4 (3) | C334—C335—H335 | 120.0 |
C41—Re4—Re3 | 139.3 (3) | C335—C336—C331 | 119.3 (11) |
C42—Re4—Re3 | 140.0 (3) | C335—C336—H336 | 120.4 |
C43—Re4—Re3 | 97.1 (3) | C331—C336—H336 | 120.4 |
C41—Re4—Re2 | 95.4 (3) | C342—C341—C346 | 120.1 (11) |
C42—Re4—Re2 | 141.2 (2) | C342—C341—P3 | 120.4 (9) |
C43—Re4—Re2 | 138.7 (3) | C346—C341—P3 | 119.5 (8) |
C41—Re4—Re1 | 138.2 (3) | C341—C342—C343 | 119.4 (12) |
C42—Re4—Re1 | 98.7 (2) | C341—C342—H342 | 120.3 |
C43—Re4—Re1 | 140.9 (3) | C343—C342—H342 | 120.3 |
C131—P1—C121 | 110.4 (5) | C344—C343—C342 | 117.9 (12) |
C131—P1—C141 | 110.9 (5) | C344—C343—H343 | 121.0 |
C121—P1—C141 | 109.9 (5) | C342—C343—H343 | 121.0 |
C131—P1—C111 | 106.0 (6) | C345—C344—C343 | 122.2 (14) |
C121—P1—C111 | 109.8 (5) | C345—C344—H344 | 118.9 |
C141—P1—C111 | 109.8 (5) | C343—C344—H344 | 118.9 |
C221—P2—C211 | 109.6 (5) | C344—C345—C346 | 119.9 (13) |
C221—P2—C241 | 110.8 (5) | C344—C345—H345 | 120.0 |
C211—P2—C241 | 108.4 (5) | C346—C345—H345 | 120.1 |
C221—P2—C231 | 107.3 (5) | C341—C346—C345 | 120.4 (11) |
C211—P2—C231 | 110.1 (5) | C341—C346—H346 | 119.8 |
C241—P2—C231 | 110.7 (5) | C345—C346—H346 | 119.8 |
C321—P3—C341 | 110.6 (5) | C412—C411—C416 | 119.5 (10) |
C321—P3—C331 | 108.8 (5) | C412—C411—P4 | 121.3 (8) |
C341—P3—C331 | 110.5 (5) | C416—C411—P4 | 118.9 (8) |
C321—P3—C311 | 107.8 (5) | C411—C412—C413 | 121.3 (11) |
C341—P3—C311 | 108.9 (5) | C411—C412—H412 | 119.4 |
C331—P3—C311 | 110.2 (5) | C413—C412—H412 | 119.4 |
C411—P4—C441 | 110.6 (5) | C414—C413—C412 | 119.1 (11) |
C411—P4—C431 | 112.1 (5) | C414—C413—H413 | 120.5 |
C441—P4—C431 | 107.3 (5) | C412—C413—H413 | 120.5 |
C411—P4—C421 | 108.2 (5) | C413—C414—C415 | 121.0 (11) |
C441—P4—C421 | 111.2 (5) | C413—C414—H414 | 119.5 |
C431—P4—C421 | 107.5 (5) | C415—C414—H414 | 119.5 |
N11—C11—Re1 | 178.4 (9) | C414—C415—C416 | 120.0 (13) |
N12—C12—Re1 | 175.6 (11) | C414—C415—H415 | 120.0 |
N13—C13—Re1 | 177.7 (9) | C416—C415—H415 | 120.0 |
N21—C21—Re2 | 176.5 (8) | C415—C416—C411 | 119.0 (11) |
N22—C22—Re2 | 177.1 (10) | C415—C416—H416 | 120.5 |
N23—C23—Re2 | 174.6 (10) | C411—C416—H416 | 120.5 |
N31—C31—Re3 | 178.2 (10) | C426—C421—C422 | 120.6 (11) |
N32—C32—Re3 | 176.6 (9) | C426—C421—P4 | 121.3 (9) |
N33—C33—Re3 | 176.7 (9) | C422—C421—P4 | 118.0 (9) |
N41—C41—Re4 | 177.1 (10) | C421—C422—C423 | 118.4 (12) |
N42—C42—Re4 | 174.5 (9) | C421—C422—H422 | 120.8 |
N43—C43—Re4 | 172.7 (10) | C423—C422—H422 | 120.8 |
C112—C111—C116 | 120.2 (10) | C422—C423—C424 | 121.2 (13) |
C112—C111—P1 | 119.8 (9) | C422—C423—H423 | 119.4 |
C116—C111—P1 | 119.9 (9) | C424—C423—H423 | 119.4 |
C113—C112—C111 | 118.5 (12) | C425—C424—C423 | 118.7 (12) |
C113—C112—H112 | 120.7 | C425—C424—H424 | 120.6 |
C111—C112—H112 | 120.7 | C423—C424—H424 | 120.6 |
C114—C113—C112 | 121.5 (13) | C424—C425—C426 | 122.1 (12) |
C114—C113—H113 | 119.2 | C424—C425—H425 | 118.9 |
C112—C113—H113 | 119.2 | C426—C425—H425 | 118.9 |
C115—C114—C113 | 119.9 (12) | C421—C426—C425 | 118.7 (11) |
C115—C114—H114 | 120.0 | C421—C426—H426 | 120.6 |
C113—C114—H114 | 120.0 | C425—C426—H426 | 120.6 |
C114—C115—C116 | 119.3 (13) | C432—C431—C436 | 121.1 (11) |
C114—C115—H115 | 120.4 | C432—C431—P4 | 118.3 (10) |
C116—C115—H115 | 120.4 | C436—C431—P4 | 120.6 (9) |
C115—C116—C111 | 120.5 (12) | C433—C432—C431 | 118.0 (14) |
C115—C116—H116 | 119.7 | C433—C432—H432 | 121.0 |
C111—C116—H116 | 119.7 | C431—C432—H432 | 121.0 |
C122—C121—C126 | 119.7 (10) | C434—C433—C432 | 119.9 (17) |
C122—C121—P1 | 121.8 (8) | C434—C433—H433 | 120.0 |
C126—C121—P1 | 118.5 (9) | C432—C433—H433 | 120.0 |
C123—C122—C121 | 119.2 (11) | C433—C434—C435 | 123.0 (18) |
C123—C122—H122 | 120.4 | C433—C434—H434 | 118.5 |
C121—C122—H122 | 120.4 | C435—C434—H434 | 118.5 |
C122—C123—C124 | 123.9 (11) | C434—C435—C436 | 120.0 (16) |
C122—C123—H123 | 118.1 | C434—C435—H435 | 120.0 |
C124—C123—H123 | 118.1 | C436—C435—H435 | 120.0 |
C125—C124—C123 | 116.7 (12) | C435—C436—C431 | 117.7 (12) |
C125—C124—H124 | 121.7 | C435—C436—H436 | 121.1 |
C123—C124—H124 | 121.7 | C431—C436—H436 | 121.1 |
C124—C125—C126 | 122.2 (12) | C442—C441—C446 | 116.7 (11) |
C124—C125—H125 | 118.9 | C442—C441—P4 | 120.2 (10) |
C126—C125—H125 | 118.9 | C446—C441—P4 | 123.0 (9) |
C121—C126—C125 | 118.4 (11) | C441—C442—C443 | 121.7 (13) |
C121—C126—H126 | 120.8 | C441—C442—H442 | 119.1 |
C125—C126—H126 | 120.8 | C443—C442—H442 | 119.1 |
C136—C131—C132 | 120.1 (11) | C444—C443—C442 | 120.6 (14) |
C136—C131—P1 | 121.0 (9) | C444—C443—H443 | 119.7 |
C132—C131—P1 | 118.9 (10) | C442—C443—H443 | 119.7 |
C131—C132—C133 | 116.6 (11) | C443—C444—C445 | 119.8 (13) |
C131—C132—H132 | 121.7 | C443—C444—H444 | 120.1 |
C133—C132—H132 | 121.7 | C445—C444—H444 | 120.1 |
C134—C133—C132 | 120.6 (12) | C444—C445—C446 | 119.9 (12) |
C134—C133—H133 | 119.7 | C444—C445—H445 | 120.0 |
C132—C133—H133 | 119.7 | C446—C445—H445 | 120.0 |
C133—C134—C135 | 122.1 (12) | C445—C446—C441 | 121.2 (12) |
C133—C134—H134 | 119.0 | C445—C446—H446 | 119.4 |
C135—C134—H134 | 119.0 | C441—C446—H446 | 119.4 |
Subscribe to Acta Crystallographica Section E: Crystallographic Communications
The full text of this article is available to subscribers to the journal.
- Information on subscribing
- Sample issue
- If you have already subscribed, you may need to register