Supporting information
Crystallographic Information File (CIF) https://doi.org/10.1107/S1600536804009523/hb6032sup1.cif | |
Structure factor file (CIF format) https://doi.org/10.1107/S1600536804009523/hb6032Isup2.hkl |
CCDC reference: 239084
Data collection: SMART (Bruker, 2001); cell refinement: SAINT (Bruker, 2001); data reduction: SAINT; program(s) used to solve structure: SHELXS97 (Sheldrick, 1997); program(s) used to refine structure: SHELXL97 (Sheldrick, 1997); molecular graphics: KENX (Sakai, 2002); software used to prepare material for publication: SHELXL97, TEXSAN (Molecular Structure Corporation, 2001), KENX and ORTEPII (Johnson, 1976).
[Pt2(C14H16N3O)2(NH3)4](ClO4)6·2H2O | Z = 2 |
Mr = 1575.64 | F(000) = 1536 |
Triclinic, P1 | Dx = 2.049 Mg m−3 |
Hall symbol: -P 1 | Mo Kα radiation, λ = 0.71073 Å |
a = 10.0927 (5) Å | Cell parameters from 2521 reflections |
b = 11.0827 (5) Å | θ = 1.9–27.5° |
c = 24.4798 (10) Å | µ = 5.88 mm−1 |
α = 78.116 (2)° | T = 296 K |
β = 79.305 (2)° | Plate, yellow |
γ = 74.210 (2)° | 0.12 × 0.04 × 0.03 mm |
V = 2553.9 (2) Å3 |
Bruker SMART APEX CCD-detector diffractometer | 11715 independent reflections |
Radiation source: fine-focus sealed tube | 3519 reflections with I > 2σ(I) |
Graphite monochromator | Rint = 0.122 |
Detector resolution: 8.366 pixels mm-1 | θmax = 27.5°, θmin = 1.9° |
ω scans | h = −12→13 |
Absorption correction: multi-scan (SADABS; Sheldrick, 1996) | k = −13→14 |
Tmin = 0.666, Tmax = 0.831 | l = −25→31 |
24579 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)] = 0.060 | Hydrogen site location: inferred from neighbouring sites |
wR(F2) = 0.121 | H-atom parameters constrained |
S = 0.79 | w = 1/[σ2(Fo2) + (0.0288P)2] where P = (Fo2 + 2Fc2)/3 |
11715 reflections | (Δ/σ)max < 0.001 |
633 parameters | Δρmax = 0.82 e Å−3 |
152 restraints | Δρmin = −0.82 e Å−3 |
Experimental. The first 50 frames were rescanned at the end of data collection to evaluate any possible decay phenomenon. Since it was judged to be negligible, no decay correction was applied to the data. |
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. Mean-plane data from final SHELXL refinement run:- Least-squares planes (x,y,z in crystal coordinates) and deviations from them (* indicates atom used to define plane) 3.5662 (0.0333) x + 10.3285 (0.0136) y - 3.2045 (0.0816) z = 2.4971 (0.0280) * -0.0066 (0.0050) N4 * 0.0065 (0.0049) O1_a * 0.0065 (0.0048) N7 * -0.0064 (0.0048) N8 - 2.9452 (0.0059) Pt1 - 0.0645 (0.0049) Pt2 Rms deviation of fitted atoms = 0.0065 2.9597 (0.0313) x - 8.6006 (0.0233) y + 6.1363 (0.0744) z = 2.5936 (0.0260) Angle to previous plane (with approximate e.s.d.) = 37.75 (0.26) * -0.0340 (0.0046) N1_a * 0.0334 (0.0045) O2 * -0.0339 (0.0046) N9 * 0.0345 (0.0046) N10 - 0.0731 (0.0045) Pt1 - 2.9261 (0.0056) Pt2 Rms deviation of fitted atoms = 0.0339 7.5834 (0.1911) x + 4.0502 (0.0705) y + 19.2206 (0.4219) z = 7.6032 (0.0441) Angle to previous plane (with approximate e.s.d.) = 72.82 (0.64) * 0.0000 (0.0000) N4 * 0.0000 (0.0001) C1 * 0.0000 (0.0000) O2 Rms deviation of fitted atoms = 0.0000 - 1.6256 (0.0721) x - 9.9732 (0.0330) y + 5.8902 (0.1604) z = 0.5733 (0.0617) Angle to previous plane (with approximate e.s.d.) = 89.83 (0.71) * 0.0233 (0.0148) N2 * -0.0181 (0.0132) C4 * -0.0042 (0.0123) C5 * 0.0211 (0.0118) C6 * -0.0164 (0.0127) C7 * -0.0056 (0.0148) C8 Rms deviation of fitted atoms = 0.0165 2.5680 (0.0554) x - 6.2674 (0.0532) y + 15.3276 (0.1037) z = 4.0728 (0.0526) Angle to previous plane (with approximate e.s.d.) = 32.00 (0.67) * 0.0039 (0.0122) N3 * -0.0093 (0.0106) C9 * 0.0149 (0.0106) C10 * -0.0126 (0.0113) C11 * 0.0023 (0.0117) C12 * 0.0008 (0.0106) C13 Rms deviation of fitted atoms = 0.0090 - 7.7794 (0.1538) x + 0.1809 (0.1345) y + 11.4782 (0.5015) z = 2.2953 (0.2422) Angle to previous plane (with approximate e.s.d.) = 86.12 (1.06) * 0.0000 (0.0001) N1_a * 0.0000 (0.0000) O1_a * 0.0000 (0.0001) C15 Rms deviation of fitted atoms = 0.0000 - 7.7810 (0.0274) x + 1.3049 (0.0519) y + 10.6163 (0.0961) z = 3.5697 (0.0658) Angle to previous plane (with approximate e.s.d.) = 6.79 (2.36) * 0.0074 (0.0081) N5 * 0.0006 (0.0091) C18 * -0.0011 (0.0089) C19 * -0.0067 (0.0083) C20 * 0.0147 (0.0098) C21 * -0.0150 (0.0094) C22 Rms deviation of fitted atoms = 0.0095 - 7.7467 (0.0323) x - 1.4922 (0.0535) y + 11.9162 (0.1066) z = 3.3377 (0.0974) Angle to previous plane (with approximate e.s.d.) = 16.15 (0.61) * -0.0127 (0.0090) N6 * -0.0129 (0.0088) C23 * 0.0088 (0.0098) C24 * 0.0039 (0.0098) C25 * 0.0087 (0.0104) C26 * 0.0042 (0.0099) C27 Rms deviation of fitted atoms = 0.0093 |
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 | Occ. (<1) | |
Pt1 | 0.17071 (5) | −0.00076 (5) | 0.32735 (2) | 0.0548 (2) | |
Pt2 | 0.12271 (5) | 0.27953 (5) | 0.27841 (2) | 0.0557 (2) | |
Cl1 | 0.1867 (6) | 0.0117 (5) | 0.1215 (2) | 0.1016 (15) | |
Cl2 | 0.2885 (5) | 0.4758 (5) | 0.0850 (2) | 0.147 (2) | |
Cl3 | 0.7120 (4) | 0.1117 (4) | 0.29720 (17) | 0.0838 (13) | |
Cl4 | 0.7444 (4) | 0.1820 (3) | 0.48300 (15) | 0.0724 (12) | |
Cl5 | 0.9514 (4) | 0.3870 (3) | 0.61476 (16) | 0.0794 (12) | |
Cl6 | 0.2484 (5) | 0.4149 (5) | 0.7962 (2) | 0.1027 (17) | |
O1 | 0.2184 (9) | 0.2736 (8) | 0.3437 (4) | 0.072 (3) | |
O2 | 0.3342 (8) | −0.0020 (8) | 0.2641 (4) | 0.056 (3) | |
O3 | 0.2476 (15) | −0.0967 (13) | 0.1575 (5) | 0.184 (7) | |
O4 | 0.1812 (17) | −0.0171 (13) | 0.0716 (5) | 0.181 (6) | |
O5 | 0.2505 (16) | 0.1097 (16) | 0.1143 (7) | 0.203 (8) | |
O6 | 0.0519 (14) | 0.0598 (13) | 0.1490 (6) | 0.175 (6) | |
O7A | 0.377 (4) | 0.488 (4) | 0.0357 (15) | 0.197 (5)* | 0.331 (19) |
O7B | 0.294 (3) | 0.4518 (19) | 0.0289 (8) | 0.197 (5)* | 0.669 (19) |
O8A | 0.243 (5) | 0.611 (3) | 0.1016 (16) | 0.197 (5)* | 0.331 (19) |
O8B | 0.343 (3) | 0.5791 (19) | 0.0817 (10) | 0.197 (5)* | 0.669 (19) |
O9A | 0.343 (4) | 0.399 (3) | 0.1307 (14) | 0.197 (5)* | 0.331 (19) |
O9B | 0.390 (2) | 0.3628 (19) | 0.1101 (9) | 0.197 (5)* | 0.669 (19) |
O10A | 0.159 (3) | 0.458 (4) | 0.077 (2) | 0.197 (5)* | 0.331 (19) |
O10B | 0.1639 (19) | 0.476 (2) | 0.1158 (11) | 0.197 (5)* | 0.669 (19) |
O11A | 0.5698 (14) | 0.1446 (15) | 0.3034 (7) | 0.132 (3)* | 0.685 (9) |
O11B | 0.590 (2) | 0.192 (3) | 0.2839 (13) | 0.132 (3)* | 0.315 (9) |
O12A | 0.7782 (15) | 0.1265 (16) | 0.2416 (6) | 0.132 (3)* | 0.685 (9) |
O12B | 0.756 (3) | 0.011 (3) | 0.2630 (13) | 0.132 (3)* | 0.315 (9) |
O13A | 0.7609 (16) | 0.1837 (14) | 0.3284 (7) | 0.132 (3)* | 0.685 (9) |
O13B | 0.822 (3) | 0.177 (3) | 0.2860 (14) | 0.132 (3)* | 0.315 (9) |
O14A | 0.7547 (16) | −0.0182 (12) | 0.3212 (7) | 0.132 (3)* | 0.685 (9) |
O14B | 0.707 (3) | 0.050 (3) | 0.3546 (10) | 0.132 (3)* | 0.315 (9) |
O15A | 0.7569 (15) | 0.0531 (11) | 0.4845 (5) | 0.104 (3)* | 0.702 (8) |
O15B | 0.650 (3) | 0.104 (3) | 0.4821 (12) | 0.104 (3)* | 0.298 (8) |
O16A | 0.6143 (12) | 0.2540 (12) | 0.4631 (5) | 0.104 (3)* | 0.702 (8) |
O16B | 0.770 (3) | 0.253 (2) | 0.4272 (9) | 0.104 (3)* | 0.298 (8) |
O17A | 0.7344 (14) | 0.2053 (13) | 0.5389 (5) | 0.104 (3)* | 0.702 (8) |
O17B | 0.693 (3) | 0.261 (2) | 0.5239 (10) | 0.104 (3)* | 0.298 (8) |
O18A | 0.8530 (13) | 0.2230 (12) | 0.4464 (6) | 0.104 (3)* | 0.702 (8) |
O18B | 0.877 (2) | 0.093 (2) | 0.4956 (11) | 0.104 (3)* | 0.298 (8) |
O19A | 0.8179 (15) | 0.4245 (16) | 0.6003 (7) | 0.111 (3)* | 0.636 (18) |
O19B | 0.807 (2) | 0.446 (3) | 0.6202 (13) | 0.111 (3)* | 0.364 (18) |
O20A | 1.0273 (17) | 0.2662 (14) | 0.6004 (8) | 0.111 (3)* | 0.636 (18) |
O20B | 0.978 (3) | 0.300 (2) | 0.5729 (11) | 0.111 (3)* | 0.364 (18) |
O21A | 1.0309 (18) | 0.4753 (15) | 0.6008 (8) | 0.111 (3)* | 0.636 (18) |
O21B | 1.016 (3) | 0.492 (2) | 0.5790 (11) | 0.111 (3)* | 0.364 (18) |
O22A | 0.928 (2) | 0.3604 (14) | 0.6795 (6) | 0.111 (3)* | 0.636 (18) |
O22B | 1.008 (3) | 0.336 (2) | 0.6596 (11) | 0.111 (3)* | 0.364 (18) |
O23 | 0.3715 (13) | 0.3526 (10) | 0.8193 (5) | 0.132 (5) | |
O24 | 0.2280 (15) | 0.3462 (14) | 0.7582 (6) | 0.167 (6) | |
O25 | 0.1368 (11) | 0.4313 (10) | 0.8412 (5) | 0.132 (5) | |
O26 | 0.2637 (11) | 0.5377 (12) | 0.7675 (5) | 0.142 (5) | |
O27 | 0.938 (6) | 0.285 (4) | 0.7928 (18) | 0.38 (3) | 0.50 |
O28 | 0.4819 (16) | 0.7850 (19) | −0.0012 (10) | 0.319 (12) | |
N1 | 0.2636 (10) | 0.0625 (10) | 0.3776 (4) | 0.060 (3) | |
H1 | 0.3067 | 0.0046 | 0.4019 | 0.072* | |
N2 | 0.6701 (18) | −0.0866 (15) | 0.1396 (7) | 0.125 (6) | |
N3 | 1.1836 (17) | −0.3304 (14) | −0.0674 (6) | 0.091 (5) | |
N4 | 0.3009 (10) | 0.2094 (10) | 0.2327 (4) | 0.058 (3) | |
H4A | 0.3401 | 0.2645 | 0.2105 | 0.070* | |
N5 | 0.2887 (10) | 0.2827 (11) | 0.5138 (5) | 0.054 (3) | |
N6 | 0.5871 (12) | 0.4442 (13) | 0.7163 (5) | 0.064 (3) | |
N7 | 0.0295 (10) | 0.2975 (9) | 0.2105 (4) | 0.080 (4) | |
H7A | 0.0288 | 0.2209 | 0.2048 | 0.120* | |
H7B | 0.0758 | 0.3358 | 0.1804 | 0.120* | |
H7C | −0.0575 | 0.3438 | 0.2161 | 0.120* | |
N8 | −0.0596 (9) | 0.3624 (9) | 0.3244 (4) | 0.070 (4) | |
H8A | −0.0456 | 0.4230 | 0.3399 | 0.105* | |
H8B | −0.0875 | 0.3037 | 0.3514 | 0.105* | |
H8C | −0.1245 | 0.3962 | 0.3018 | 0.105* | |
N9 | 0.0763 (10) | −0.0723 (9) | 0.2790 (4) | 0.076 (4) | |
H9A | 0.0632 | −0.1476 | 0.2967 | 0.113* | |
H9B | 0.1299 | −0.0813 | 0.2461 | 0.113* | |
H9C | −0.0054 | −0.0192 | 0.2731 | 0.113* | |
N10 | 0.0178 (10) | −0.0195 (9) | 0.3924 (4) | 0.078 (4) | |
H10A | 0.0424 | −0.0945 | 0.4142 | 0.117* | |
H10B | −0.0601 | −0.0145 | 0.3791 | 0.117* | |
H10C | 0.0039 | 0.0424 | 0.4125 | 0.117* | |
C1 | 0.3633 (12) | 0.0961 (16) | 0.2320 (5) | 0.053 (4) | |
C2 | 0.4967 (14) | 0.0732 (12) | 0.1854 (6) | 0.082 (5) | |
H2A | 0.4709 | 0.1064 | 0.1480 | 0.098* | |
H2B | 0.5646 | 0.1151 | 0.1912 | 0.098* | |
C3 | 0.5529 (15) | −0.0618 (15) | 0.1918 (6) | 0.112 (7) | |
H3A | 0.4808 | −0.1048 | 0.1919 | 0.135* | |
H3B | 0.5920 | −0.0931 | 0.2268 | 0.135* | |
C4 | 0.804 (2) | −0.1011 (18) | 0.1449 (7) | 0.123 (7) | |
H4 | 0.8278 | −0.0826 | 0.1765 | 0.148* | |
C5 | 0.9032 (15) | −0.1439 (15) | 0.1023 (7) | 0.090 (5) | |
H5 | 0.9965 | −0.1563 | 0.1056 | 0.108* | |
C6 | 0.8686 (17) | −0.1686 (14) | 0.0551 (6) | 0.073 (5) | |
C7 | 0.7304 (18) | −0.1459 (15) | 0.0492 (6) | 0.100 (6) | |
H7 | 0.7040 | −0.1576 | 0.0166 | 0.120* | |
C8 | 0.6337 (18) | −0.106 (2) | 0.0925 (9) | 0.142 (9) | |
H8 | 0.5399 | −0.0908 | 0.0895 | 0.171* | |
C9 | 0.9760 (16) | −0.2223 (14) | 0.0107 (6) | 0.068 (4) | |
C10 | 1.1047 (17) | −0.1954 (14) | 0.0017 (6) | 0.082 (5) | |
H10 | 1.1242 | −0.1423 | 0.0224 | 0.098* | |
C11 | 1.2054 (15) | −0.2512 (17) | −0.0398 (7) | 0.089 (5) | |
H11 | 1.2910 | −0.2305 | −0.0477 | 0.107* | |
C12 | 1.063 (2) | −0.3563 (15) | −0.0579 (7) | 0.088 (6) | |
H12 | 1.0474 | −0.4123 | −0.0782 | 0.106* | |
C13 | 0.9571 (16) | −0.3051 (14) | −0.0193 (7) | 0.075 (5) | |
H13 | 0.8724 | −0.3269 | −0.0137 | 0.090* | |
C14 | 1.3003 (14) | −0.3872 (17) | −0.1087 (7) | 0.144 (8) | |
H14A | 1.3854 | −0.3729 | −0.1023 | 0.216* | |
H14B | 1.2824 | −0.3484 | −0.1463 | 0.216* | |
H14C | 1.3084 | −0.4770 | −0.1041 | 0.216* | |
C15 | 0.2685 (13) | 0.1756 (15) | 0.3792 (6) | 0.054 (4) | |
C16 | 0.3349 (13) | 0.1987 (12) | 0.4252 (5) | 0.061 (4) | |
H16A | 0.3959 | 0.1201 | 0.4407 | 0.073* | |
H16B | 0.3901 | 0.2603 | 0.4098 | 0.073* | |
C17 | 0.2255 (13) | 0.2468 (12) | 0.4700 (5) | 0.060 (4) | |
H17A | 0.1760 | 0.1819 | 0.4876 | 0.072* | |
H17B | 0.1594 | 0.3206 | 0.4537 | 0.072* | |
C18 | 0.3023 (14) | 0.4006 (13) | 0.5086 (6) | 0.065 (4) | |
H18 | 0.2715 | 0.4611 | 0.4783 | 0.078* | |
C19 | 0.3616 (14) | 0.4339 (12) | 0.5478 (6) | 0.060 (4) | |
H19 | 0.3702 | 0.5166 | 0.5442 | 0.072* | |
C20 | 0.4085 (12) | 0.3425 (14) | 0.5929 (5) | 0.041 (3) | |
C21 | 0.3918 (15) | 0.2239 (13) | 0.5973 (6) | 0.072 (5) | |
H21 | 0.4190 | 0.1630 | 0.6280 | 0.086* | |
C22 | 0.3350 (14) | 0.1914 (13) | 0.5568 (6) | 0.067 (4) | |
H22 | 0.3286 | 0.1083 | 0.5591 | 0.080* | |
C23 | 0.4742 (12) | 0.3814 (13) | 0.6350 (6) | 0.047 (4) | |
C24 | 0.4564 (15) | 0.5048 (13) | 0.6408 (6) | 0.063 (4) | |
H24 | 0.4049 | 0.5699 | 0.6170 | 0.075* | |
C25 | 0.5135 (16) | 0.5333 (13) | 0.6810 (7) | 0.074 (5) | |
H25 | 0.5006 | 0.6181 | 0.6840 | 0.089* | |
C26 | 0.5992 (14) | 0.3234 (15) | 0.7109 (7) | 0.075 (5) | |
H26 | 0.6477 | 0.2593 | 0.7360 | 0.090* | |
C27 | 0.5472 (14) | 0.2892 (13) | 0.6724 (6) | 0.060 (4) | |
H27 | 0.5599 | 0.2037 | 0.6707 | 0.072* | |
C28 | 0.6423 (13) | 0.4811 (13) | 0.7610 (6) | 0.086 (5) | |
H28A | 0.6315 | 0.5715 | 0.7540 | 0.128* | |
H28B | 0.7390 | 0.4391 | 0.7607 | 0.128* | |
H28C | 0.5919 | 0.4566 | 0.7971 | 0.128* |
U11 | U22 | U33 | U12 | U13 | U23 | |
Pt1 | 0.0551 (4) | 0.0505 (4) | 0.0549 (4) | −0.0033 (3) | −0.0091 (3) | −0.0116 (3) |
Pt2 | 0.0575 (4) | 0.0529 (4) | 0.0558 (4) | −0.0095 (3) | −0.0102 (3) | −0.0104 (3) |
Cl1 | 0.111 (4) | 0.135 (5) | 0.080 (4) | −0.043 (4) | −0.020 (3) | −0.040 (3) |
Cl2 | 0.123 (5) | 0.194 (6) | 0.134 (5) | −0.075 (4) | −0.024 (4) | 0.005 (4) |
Cl3 | 0.059 (3) | 0.085 (3) | 0.110 (4) | −0.003 (2) | −0.025 (2) | −0.028 (3) |
Cl4 | 0.076 (3) | 0.062 (2) | 0.070 (3) | −0.004 (2) | −0.004 (2) | −0.013 (2) |
Cl5 | 0.067 (3) | 0.067 (3) | 0.105 (3) | −0.009 (2) | −0.015 (2) | −0.024 (2) |
Cl6 | 0.084 (4) | 0.108 (4) | 0.094 (4) | 0.013 (3) | −0.011 (3) | −0.017 (3) |
O1 | 0.091 (7) | 0.070 (7) | 0.048 (6) | −0.013 (6) | −0.006 (5) | −0.009 (5) |
O2 | 0.037 (6) | 0.065 (6) | 0.064 (7) | −0.009 (5) | 0.006 (5) | −0.021 (5) |
O3 | 0.260 (17) | 0.132 (11) | 0.125 (12) | 0.026 (12) | −0.080 (12) | 0.002 (9) |
O4 | 0.31 (2) | 0.192 (14) | 0.086 (10) | −0.109 (13) | −0.047 (11) | −0.046 (9) |
O5 | 0.186 (16) | 0.204 (17) | 0.29 (2) | −0.096 (13) | −0.128 (14) | −0.056 (14) |
O6 | 0.128 (11) | 0.195 (14) | 0.183 (14) | −0.001 (10) | 0.024 (10) | −0.079 (11) |
O23 | 0.121 (10) | 0.110 (9) | 0.127 (10) | 0.025 (8) | −0.016 (8) | −0.003 (7) |
O24 | 0.175 (14) | 0.201 (15) | 0.141 (13) | −0.027 (12) | −0.041 (11) | −0.072 (11) |
O25 | 0.097 (9) | 0.122 (9) | 0.141 (10) | −0.015 (7) | 0.064 (8) | −0.030 (8) |
O26 | 0.137 (11) | 0.129 (11) | 0.106 (10) | −0.015 (9) | 0.014 (8) | 0.050 (8) |
O27 | 0.58 (8) | 0.20 (4) | 0.31 (5) | 0.00 (5) | −0.05 (5) | −0.02 (3) |
O28 | 0.171 (16) | 0.37 (3) | 0.54 (4) | −0.105 (17) | −0.106 (19) | −0.22 (2) |
N1 | 0.070 (8) | 0.060 (8) | 0.044 (7) | 0.015 (7) | −0.023 (6) | −0.019 (6) |
N2 | 0.076 (12) | 0.179 (15) | 0.121 (15) | −0.011 (11) | 0.010 (11) | −0.076 (12) |
N3 | 0.082 (12) | 0.104 (12) | 0.097 (12) | −0.011 (10) | −0.015 (10) | −0.055 (9) |
N4 | 0.069 (8) | 0.062 (8) | 0.052 (7) | −0.036 (7) | 0.012 (6) | −0.017 (6) |
N5 | 0.039 (7) | 0.060 (8) | 0.063 (9) | −0.011 (6) | 0.001 (6) | −0.022 (7) |
N6 | 0.067 (9) | 0.072 (9) | 0.050 (8) | −0.015 (8) | −0.001 (7) | −0.011 (8) |
N7 | 0.095 (9) | 0.068 (8) | 0.071 (8) | −0.017 (7) | 0.002 (7) | −0.015 (6) |
N8 | 0.073 (8) | 0.067 (7) | 0.060 (8) | 0.005 (6) | −0.009 (6) | −0.015 (6) |
N9 | 0.082 (9) | 0.065 (8) | 0.080 (9) | −0.010 (7) | −0.008 (7) | −0.027 (6) |
N10 | 0.104 (9) | 0.060 (7) | 0.066 (8) | −0.021 (7) | 0.002 (7) | −0.009 (6) |
C1 | 0.033 (9) | 0.088 (12) | 0.042 (9) | −0.017 (9) | 0.007 (7) | −0.024 (9) |
C2 | 0.068 (11) | 0.062 (10) | 0.130 (14) | −0.013 (9) | −0.027 (10) | −0.037 (10) |
C3 | 0.087 (13) | 0.122 (15) | 0.084 (12) | −0.002 (11) | 0.035 (10) | 0.007 (11) |
C4 | 0.066 (13) | 0.21 (2) | 0.105 (15) | −0.041 (14) | 0.016 (12) | −0.070 (14) |
C5 | 0.052 (11) | 0.154 (16) | 0.074 (12) | −0.033 (10) | 0.013 (10) | −0.050 (12) |
C6 | 0.059 (12) | 0.099 (12) | 0.064 (12) | −0.022 (10) | 0.009 (10) | −0.028 (10) |
C7 | 0.072 (12) | 0.162 (17) | 0.057 (11) | −0.028 (12) | 0.034 (10) | −0.039 (10) |
C8 | 0.058 (13) | 0.25 (3) | 0.131 (19) | −0.011 (14) | −0.021 (13) | −0.090 (18) |
C9 | 0.052 (11) | 0.072 (11) | 0.084 (12) | −0.018 (9) | 0.000 (9) | −0.027 (9) |
C10 | 0.068 (12) | 0.109 (13) | 0.082 (12) | −0.031 (10) | −0.001 (10) | −0.042 (10) |
C11 | 0.037 (10) | 0.135 (16) | 0.089 (13) | −0.026 (11) | 0.018 (9) | −0.027 (12) |
C12 | 0.101 (15) | 0.088 (13) | 0.092 (14) | −0.014 (13) | −0.029 (13) | −0.051 (11) |
C13 | 0.068 (12) | 0.076 (11) | 0.091 (13) | −0.024 (9) | −0.012 (10) | −0.027 (10) |
C14 | 0.064 (12) | 0.22 (2) | 0.166 (17) | −0.010 (12) | 0.028 (11) | −0.148 (16) |
C15 | 0.043 (9) | 0.076 (11) | 0.043 (10) | −0.010 (9) | 0.001 (7) | −0.024 (9) |
C16 | 0.060 (10) | 0.084 (10) | 0.047 (9) | −0.011 (8) | −0.014 (8) | −0.027 (8) |
C17 | 0.059 (10) | 0.077 (10) | 0.061 (10) | −0.030 (8) | −0.022 (8) | −0.020 (8) |
C18 | 0.081 (12) | 0.051 (10) | 0.057 (11) | −0.002 (9) | −0.004 (8) | −0.017 (8) |
C19 | 0.075 (11) | 0.050 (9) | 0.054 (10) | −0.007 (8) | 0.002 (8) | −0.031 (9) |
C20 | 0.028 (8) | 0.062 (10) | 0.039 (9) | −0.013 (7) | 0.004 (6) | −0.023 (8) |
C21 | 0.087 (12) | 0.055 (10) | 0.077 (12) | −0.019 (9) | −0.008 (9) | −0.018 (9) |
C22 | 0.088 (12) | 0.054 (10) | 0.068 (12) | −0.027 (9) | −0.023 (9) | −0.007 (9) |
C23 | 0.035 (8) | 0.043 (8) | 0.059 (10) | −0.008 (7) | 0.000 (7) | −0.007 (8) |
C24 | 0.084 (12) | 0.058 (11) | 0.051 (10) | −0.027 (9) | −0.007 (8) | −0.013 (8) |
C25 | 0.084 (13) | 0.046 (10) | 0.092 (14) | −0.024 (9) | 0.013 (10) | −0.025 (10) |
C26 | 0.059 (11) | 0.067 (12) | 0.094 (14) | 0.011 (9) | −0.020 (9) | −0.025 (10) |
C27 | 0.068 (11) | 0.055 (10) | 0.064 (11) | −0.020 (9) | −0.005 (8) | −0.023 (9) |
C28 | 0.069 (11) | 0.124 (14) | 0.083 (12) | −0.038 (10) | −0.012 (9) | −0.040 (10) |
Pt1—O2 | 2.041 (8) | C1—C2 | 1.594 (16) |
Pt1—N1 | 2.007 (11) | C2—C3 | 1.436 (16) |
Pt1—N9 | 2.038 (10) | C4—C5 | 1.370 (18) |
Pt1—N10 | 2.021 (9) | C5—C6 | 1.366 (18) |
Pt2—O1 | 1.997 (9) | C6—C7 | 1.378 (18) |
Pt2—N4 | 1.985 (9) | C6—C9 | 1.479 (18) |
Pt2—N7 | 2.009 (10) | C7—C8 | 1.36 (2) |
Pt2—N8 | 2.057 (8) | C9—C13 | 1.357 (18) |
Pt1—Pt2 | 3.0304 (7) | C9—C10 | 1.379 (17) |
Pt1—Pt2i | 8.4585 (8) | C10—C11 | 1.407 (17) |
Cl1—O4 | 1.338 (11) | C12—C13 | 1.367 (18) |
Cl1—O5 | 1.373 (15) | C15—C16 | 1.507 (16) |
Cl1—O3 | 1.399 (11) | C16—C17 | 1.475 (14) |
Cl1—O6 | 1.415 (12) | C18—C19 | 1.376 (17) |
Cl2—O10B | 1.341 (16) | C19—C20 | 1.393 (15) |
Cl2—O9A | 1.36 (2) | C20—C21 | 1.350 (16) |
Cl2—O7A | 1.37 (2) | C20—C23 | 1.510 (16) |
Cl2—O8B | 1.382 (16) | C21—C22 | 1.381 (17) |
Cl2—O10A | 1.42 (2) | C23—C24 | 1.364 (16) |
Cl2—O7B | 1.440 (17) | C23—C27 | 1.371 (15) |
Cl2—O9B | 1.490 (17) | C24—C25 | 1.356 (18) |
Cl2—O8A | 1.56 (2) | C26—C27 | 1.322 (17) |
Cl3—O11B | 1.36 (2) | N1—H1 | 0.8600 |
Cl3—O11A | 1.368 (13) | N4—H4A | 0.8600 |
Cl3—O12A | 1.399 (13) | N7—H7A | 0.8900 |
Cl3—O14A | 1.418 (12) | N7—H7B | 0.8900 |
Cl3—O14B | 1.43 (2) | N7—H7C | 0.8900 |
Cl3—O13A | 1.440 (13) | N8—H8A | 0.8900 |
Cl3—O13B | 1.44 (2) | N8—H8B | 0.8900 |
Cl3—O12B | 1.46 (2) | N8—H8C | 0.8900 |
Cl4—O15A | 1.393 (12) | N9—H9A | 0.8900 |
Cl4—O18A | 1.396 (11) | N9—H9B | 0.8900 |
Cl4—O17B | 1.40 (2) | N9—H9C | 0.8900 |
Cl4—O17A | 1.423 (12) | N10—H10A | 0.8900 |
Cl4—O16B | 1.44 (2) | N10—H10B | 0.8900 |
Cl4—O16A | 1.452 (11) | N10—H10C | 0.8900 |
Cl4—O15B | 1.46 (2) | C2—H2A | 0.9700 |
Cl4—O18B | 1.47 (2) | C2—H2B | 0.9700 |
Cl5—O22B | 1.287 (19) | C3—H3A | 0.9700 |
Cl5—O21A | 1.380 (14) | C3—H3B | 0.9700 |
Cl5—O19A | 1.387 (13) | C4—H4 | 0.9300 |
Cl5—O19B | 1.424 (19) | C5—H5 | 0.9300 |
Cl5—O20A | 1.428 (13) | C7—H7 | 0.9300 |
Cl5—O20B | 1.486 (19) | C8—H8 | 0.9300 |
Cl5—O21B | 1.52 (2) | C10—H10 | 0.9300 |
Cl5—O22A | 1.536 (14) | C11—H11 | 0.9300 |
Cl6—O24 | 1.391 (13) | C12—H12 | 0.9300 |
Cl6—O23 | 1.405 (11) | C13—H13 | 0.9300 |
Cl6—O25 | 1.422 (9) | C14—H14A | 0.9600 |
Cl6—O26 | 1.432 (11) | C14—H14B | 0.9600 |
O1—C15 | 1.291 (14) | C14—H14C | 0.9600 |
O2—C1 | 1.274 (14) | C16—H16A | 0.9700 |
N1—C15 | 1.276 (15) | C16—H16B | 0.9700 |
N2—C4 | 1.339 (18) | C17—H17A | 0.9700 |
N2—C8 | 1.344 (19) | C17—H17B | 0.9700 |
N2—C3 | 1.585 (17) | C18—H18 | 0.9300 |
N3—C12 | 1.296 (18) | C19—H19 | 0.9300 |
N3—C11 | 1.297 (18) | C21—H21 | 0.9300 |
N3—C14 | 1.490 (17) | C22—H22 | 0.9300 |
N4—C1 | 1.244 (14) | C24—H24 | 0.9300 |
N5—C18 | 1.329 (15) | C25—H25 | 0.9300 |
N5—C22 | 1.355 (14) | C26—H26 | 0.9300 |
N5—C17 | 1.511 (14) | C27—H27 | 0.9300 |
N6—C25 | 1.327 (16) | C28—H28A | 0.9600 |
N6—C26 | 1.342 (16) | C28—H28B | 0.9600 |
N6—C28 | 1.486 (15) | C28—H28C | 0.9600 |
O8B···O28 | 3.17 (3) | O27···O3ii | 3.10 (6) |
O22A···O27 | 2.74 (4) | O28···O7Biii | 3.07 (3) |
O22B···O27 | 3.17 (5) | O28···O7Aiii | 3.19 (5) |
N1—Pt1—N10 | 88.3 (4) | N3—C12—C13 | 123.0 (16) |
N10—Pt1—N9 | 90.2 (4) | C9—C13—C12 | 120.0 (15) |
N1—Pt1—O2 | 92.5 (4) | N1—C15—O1 | 123.8 (13) |
N9—Pt1—O2 | 88.8 (4) | N1—C15—C16 | 119.1 (13) |
N1—Pt1—N9 | 177.4 (4) | O1—C15—C16 | 117.0 (13) |
N10—Pt1—O2 | 173.9 (3) | C17—C16—C15 | 109.4 (11) |
N1—Pt1—Pt2 | 78.2 (3) | C16—C17—N5 | 110.4 (10) |
N10—Pt1—Pt2 | 107.2 (3) | N5—C18—C19 | 120.4 (13) |
N9—Pt1—Pt2 | 104.3 (3) | C18—C19—C20 | 119.5 (13) |
O2—Pt1—Pt2 | 78.9 (2) | C21—C20—C19 | 118.5 (13) |
N4—Pt2—O1 | 92.1 (4) | C21—C20—C23 | 123.2 (14) |
N4—Pt2—N7 | 87.6 (4) | C19—C20—C23 | 118.3 (13) |
O1—Pt2—N8 | 87.5 (4) | C20—C21—C22 | 121.2 (14) |
N7—Pt2—N8 | 92.6 (4) | N5—C22—C21 | 118.8 (13) |
O1—Pt2—N7 | 175.9 (4) | C24—C23—C27 | 117.4 (14) |
N4—Pt2—N8 | 176.7 (4) | C24—C23—C20 | 123.2 (13) |
N4—Pt2—Pt1 | 79.0 (3) | C27—C23—C20 | 119.2 (13) |
O1—Pt2—Pt1 | 79.7 (3) | C25—C24—C23 | 120.4 (14) |
N7—Pt2—Pt1 | 104.2 (3) | N6—C25—C24 | 122.2 (14) |
N8—Pt2—Pt1 | 104.1 (3) | C27—C26—N6 | 124.7 (14) |
O4—Cl1—O5 | 110.5 (10) | C26—C27—C23 | 119.1 (14) |
O4—Cl1—O3 | 110.8 (9) | C15—N1—H1 | 115.0 |
O5—Cl1—O3 | 113.5 (10) | Pt1—N1—H1 | 115.0 |
O4—Cl1—O6 | 111.2 (10) | C1—N4—H4A | 115.8 |
O5—Cl1—O6 | 104.0 (9) | Pt2—N4—H4A | 115.8 |
O3—Cl1—O6 | 106.6 (9) | Pt2—N7—H7A | 109.5 |
O9A—Cl2—O7A | 117.4 (16) | Pt2—N7—H7B | 109.5 |
O10B—Cl2—O8B | 117.7 (11) | H7A—N7—H7B | 109.5 |
O9A—Cl2—O10A | 113.7 (16) | Pt2—N7—H7C | 109.5 |
O7A—Cl2—O10A | 113.0 (15) | H7A—N7—H7C | 109.5 |
O10B—Cl2—O7B | 112.1 (11) | H7B—N7—H7C | 109.5 |
O8B—Cl2—O7B | 109.1 (10) | Pt2—N8—H8A | 109.5 |
O10B—Cl2—O9B | 107.5 (10) | Pt2—N8—H8B | 109.5 |
O8B—Cl2—O9B | 106.1 (10) | H8A—N8—H8B | 109.5 |
O7B—Cl2—O9B | 103.1 (10) | Pt2—N8—H8C | 109.5 |
O9A—Cl2—O8A | 104.5 (14) | H8A—N8—H8C | 109.5 |
O7A—Cl2—O8A | 104.6 (15) | H8B—N8—H8C | 109.5 |
O10A—Cl2—O8A | 101.2 (13) | Pt1—N9—H9A | 109.5 |
O11A—Cl3—O12A | 115.4 (8) | Pt1—N9—H9B | 109.5 |
O11A—Cl3—O14A | 107.9 (8) | H9A—N9—H9B | 109.5 |
O12A—Cl3—O14A | 107.7 (8) | Pt1—N9—H9C | 109.5 |
O11B—Cl3—O14B | 114.4 (13) | H9A—N9—H9C | 109.5 |
O11A—Cl3—O13A | 109.9 (8) | H9B—N9—H9C | 109.5 |
O12A—Cl3—O13A | 108.5 (8) | Pt1—N10—H10A | 109.5 |
O14A—Cl3—O13A | 107.1 (8) | Pt1—N10—H10B | 109.5 |
O11B—Cl3—O13B | 111.6 (13) | H10A—N10—H10B | 109.5 |
O14B—Cl3—O13B | 107.3 (13) | Pt1—N10—H10C | 109.5 |
O11B—Cl3—O12B | 110.8 (13) | H10A—N10—H10C | 109.5 |
O14B—Cl3—O12B | 106.2 (12) | H10B—N10—H10C | 109.5 |
O13B—Cl3—O12B | 106.1 (12) | C3—C2—H2A | 110.5 |
O15A—Cl4—O18A | 111.2 (7) | C1—C2—H2A | 110.5 |
O15A—Cl4—O17A | 109.2 (7) | C3—C2—H2B | 110.5 |
O18A—Cl4—O17A | 113.0 (8) | C1—C2—H2B | 110.5 |
O17B—Cl4—O16B | 112.2 (12) | H2A—C2—H2B | 108.7 |
O15A—Cl4—O16A | 108.9 (8) | C2—C3—H3A | 110.4 |
O18A—Cl4—O16A | 108.4 (7) | N2—C3—H3A | 110.4 |
O17A—Cl4—O16A | 105.9 (7) | C2—C3—H3B | 110.4 |
O17B—Cl4—O15B | 111.6 (12) | N2—C3—H3B | 110.4 |
O16B—Cl4—O15B | 108.8 (12) | H3A—C3—H3B | 108.6 |
O17B—Cl4—O18B | 110.2 (12) | N2—C4—H4 | 120.9 |
O16B—Cl4—O18B | 107.4 (11) | C5—C4—H4 | 120.9 |
O15B—Cl4—O18B | 106.5 (11) | C6—C5—H5 | 119.3 |
O21A—Cl5—O19A | 117.7 (9) | C4—C5—H5 | 119.3 |
O22B—Cl5—O19B | 119.0 (13) | C8—C7—H7 | 121.1 |
O21A—Cl5—O20A | 112.1 (8) | C6—C7—H7 | 121.1 |
O19A—Cl5—O20A | 113.2 (9) | N2—C8—H8 | 119.1 |
O22B—Cl5—O20B | 113.7 (11) | C7—C8—H8 | 119.1 |
O19B—Cl5—O20B | 106.8 (11) | C9—C10—H10 | 121.1 |
O22B—Cl5—O21B | 112.8 (13) | C11—C10—H10 | 121.1 |
O19B—Cl5—O21B | 102.9 (11) | N3—C11—H11 | 118.7 |
O20B—Cl5—O21B | 99.4 (11) | C10—C11—H11 | 118.7 |
O21A—Cl5—O22A | 105.1 (8) | N3—C12—H12 | 118.5 |
O19A—Cl5—O22A | 103.9 (8) | C13—C12—H12 | 118.5 |
O20A—Cl5—O22A | 102.9 (8) | C9—C13—H13 | 120.0 |
O24—Cl6—O23 | 109.9 (8) | C12—C13—H13 | 120.0 |
O24—Cl6—O25 | 112.6 (10) | N3—C14—H14A | 109.5 |
O23—Cl6—O25 | 108.4 (8) | N3—C14—H14B | 109.5 |
O24—Cl6—O26 | 109.8 (9) | H14A—C14—H14B | 109.5 |
O23—Cl6—O26 | 107.5 (8) | N3—C14—H14C | 109.5 |
O25—Cl6—O26 | 108.6 (7) | H14A—C14—H14C | 109.5 |
C15—O1—Pt2 | 128.1 (9) | H14B—C14—H14C | 109.5 |
C1—O2—Pt1 | 125.4 (7) | C17—C16—H16A | 109.8 |
C15—N1—Pt1 | 129.9 (9) | C15—C16—H16A | 109.8 |
C4—N2—C8 | 121.3 (16) | C17—C16—H16B | 109.8 |
C4—N2—C3 | 120.1 (17) | C15—C16—H16B | 109.8 |
C8—N2—C3 | 118.2 (18) | H16A—C16—H16B | 108.2 |
C12—N3—C11 | 118.9 (16) | C16—C17—H17A | 109.6 |
C12—N3—C14 | 123.5 (16) | N5—C17—H17A | 109.6 |
C11—N3—C14 | 117.6 (16) | C16—C17—H17B | 109.6 |
C1—N4—Pt2 | 128.4 (9) | N5—C17—H17B | 109.6 |
C18—N5—C22 | 121.4 (13) | H17A—C17—H17B | 108.1 |
C18—N5—C17 | 119.9 (12) | N5—C18—H18 | 119.8 |
C22—N5—C17 | 118.6 (12) | C19—C18—H18 | 119.8 |
C25—N6—C26 | 116.2 (14) | C18—C19—H19 | 120.3 |
C25—N6—C28 | 119.7 (14) | C20—C19—H19 | 120.3 |
C26—N6—C28 | 124.0 (14) | C20—C21—H21 | 119.4 |
N4—C1—O2 | 127.9 (12) | C22—C21—H21 | 119.4 |
N4—C1—C2 | 115.1 (13) | N5—C22—H22 | 120.6 |
O2—C1—C2 | 117.0 (12) | C21—C22—H22 | 120.6 |
C3—C2—C1 | 106.3 (12) | C25—C24—H24 | 119.8 |
C2—C3—N2 | 106.4 (12) | C23—C24—H24 | 119.8 |
N2—C4—C5 | 118.1 (17) | N6—C25—H25 | 118.9 |
C6—C5—C4 | 121.4 (16) | C24—C25—H25 | 118.9 |
C5—C6—C7 | 119.4 (14) | C27—C26—H26 | 117.7 |
C5—C6—C9 | 121.5 (16) | N6—C26—H26 | 117.7 |
C7—C6—C9 | 119.1 (16) | C26—C27—H27 | 120.4 |
C8—C7—C6 | 117.9 (17) | C23—C27—H27 | 120.4 |
N2—C8—C7 | 121.8 (17) | N6—C28—H28A | 109.5 |
C13—C9—C10 | 117.7 (14) | N6—C28—H28B | 109.5 |
C13—C9—C6 | 122.7 (16) | H28A—C28—H28B | 109.5 |
C10—C9—C6 | 119.4 (16) | N6—C28—H28C | 109.5 |
C9—C10—C11 | 117.8 (15) | H28A—C28—H28C | 109.5 |
N3—C11—C10 | 122.6 (16) | H28B—C28—H28C | 109.5 |
O2—Pt1—Pt2—N4 | −3.8 (4) | C6—C9—C13—C12 | −176.8 (14) |
N1—Pt1—Pt2—O1 | −3.0 (4) | N3—C12—C13—C9 | 0 (3) |
N9—Pt1—Pt2—N7 | −5.0 (4) | N1—C15—C16—C17 | −100.1 (14) |
N10—Pt1—Pt2—N8 | −3.3 (4) | O1—C15—C16—C17 | 79.3 (14) |
N4—C1—C2—C3 | 179.8 (13) | C15—C16—C17—N5 | −174.6 (11) |
O2—C1—C2—C3 | 0.7 (18) | C18—N5—C17—C16 | 91.0 (13) |
C1—C2—C3—N2 | 171.0 (12) | C22—N5—C17—C16 | −86.7 (14) |
C4—N2—C3—C2 | 97 (2) | C22—N5—C18—C19 | −1.4 (19) |
C8—N2—C3—C2 | −90 (2) | C17—N5—C18—C19 | −179.0 (11) |
C8—N2—C4—C5 | −4 (3) | N5—C18—C19—C20 | 0.5 (19) |
C3—N2—C4—C5 | 168.9 (14) | C18—C19—C20—C21 | −1.2 (18) |
N2—C4—C5—C6 | 1 (3) | C18—C19—C20—C23 | 179.5 (11) |
C4—C5—C6—C7 | 2 (3) | C19—C20—C21—C22 | 3 (2) |
C4—C5—C6—C9 | −176.2 (15) | C23—C20—C21—C22 | −178.0 (12) |
C5—C6—C7—C8 | −3 (3) | C18—N5—C22—C21 | 2.9 (19) |
C9—C6—C7—C8 | 175.1 (15) | C17—N5—C22—C21 | −179.5 (12) |
C4—N2—C8—C7 | 3 (3) | C20—C21—C22—N5 | −4 (2) |
C3—N2—C8—C7 | −170.1 (16) | C21—C20—C23—C24 | −160.5 (13) |
C6—C7—C8—N2 | 1 (3) | C19—C20—C23—C24 | 18.8 (18) |
C5—C6—C9—C13 | 145.3 (16) | C21—C20—C23—C27 | 14.6 (18) |
C7—C6—C9—C13 | −33 (2) | C19—C20—C23—C27 | −166.2 (11) |
C5—C6—C9—C10 | −30 (2) | C27—C23—C24—C25 | 2 (2) |
C7—C6—C9—C10 | 151.7 (15) | C20—C23—C24—C25 | 177.2 (12) |
C13—C9—C10—C11 | 3 (2) | C26—N6—C25—C24 | −2 (2) |
C6—C9—C10—C11 | 178.2 (13) | C28—N6—C25—C24 | −177.6 (13) |
C12—N3—C11—C10 | 2 (3) | C23—C24—C25—N6 | 0 (2) |
C14—N3—C11—C10 | −177.5 (14) | C25—N6—C26—C27 | 2 (2) |
C9—C10—C11—N3 | −3 (2) | C28—N6—C26—C27 | 177.9 (14) |
C11—N3—C12—C13 | −1 (3) | N6—C26—C27—C23 | −1 (2) |
C14—N3—C12—C13 | 179.0 (15) | C24—C23—C27—C26 | −2 (2) |
C10—C9—C13—C12 | −2 (2) | C20—C23—C27—C26 | −176.9 (13) |
Symmetry codes: (i) x, y−1, z; (ii) −x+1, −y, −z+1; (iii) −x+1, −y+1, −z. |
D—H···A | D—H | H···A | D···A | D—H···A |
N7—H7C···O13Biv | 0.89 | 2.64 | 2.94 (3) | 101 |
N8—H8C···O26v | 0.89 | 2.28 | 3.159 (15) | 170 |
N8—H8A···O21Avi | 0.89 | 2.06 | 2.92 (2) | 161 |
N8—H8B···O13Aiv | 0.89 | 2.48 | 3.003 (18) | 118 |
N8—H8B···O16Biv | 0.89 | 2.20 | 3.01 (2) | 150 |
N8—H8B···O18Aiv | 0.89 | 2.34 | 3.155 (15) | 152 |
N9—H9A···O22Aii | 0.89 | 2.29 | 3.155 (18) | 164 |
N9—H9C···O13Biv | 0.89 | 2.42 | 3.22 (3) | 150 |
N9—H9C···O14Aiv | 0.89 | 2.49 | 3.148 (18) | 132 |
N10—H10A···O18Bii | 0.89 | 2.49 | 3.00 (3) | 117 |
N10—H10A···O20Aii | 0.89 | 2.31 | 2.857 (18) | 120 |
N10—H10A···O20Bii | 0.89 | 2.30 | 3.04 (3) | 141 |
N10—H10C···O18Aiv | 0.89 | 2.36 | 3.155 (15) | 149 |
N10—H10C···O18Biv | 0.89 | 2.28 | 3.00 (3) | 137 |
N4—H4A···O9A | 0.86 | 2.20 | 2.96 (3) | 147 |
N7—H7B···O10B | 0.89 | 2.22 | 3.09 (2) | 165 |
N7—H7C···O25v | 0.89 | 2.59 | 3.151 (14) | 122 |
N7—H7C···O26v | 0.89 | 2.15 | 3.042 (14) | 177 |
Symmetry codes: (ii) −x+1, −y, −z+1; (iv) x−1, y, z; (v) −x, −y+1, −z+1; (vi) −x+1, −y+1, −z+1. |