| Crystal data |
| Chemical formula |
[PdCl(C14H23N5)]NO3
|
[PdBr(C14H23N5)]NO3
|
[PdI(C14H2N5)]I0.5H2O |
[Pd(N3)(C14H23N5)]N3H2O |
[Pd(NCS)(C14H23N5)]2[Pd(NCS)4] |
|
M
r
|
465.23 |
509.69 |
630.58 |
469.85 |
1190.43 |
| Crystal system, space group |
Monoclinic, P21/n
|
Monoclinic, P21/n
|
Triclinic, P
|
Monoclinic, P21/c
|
Triclinic, P
|
| Temperature (K) |
298 |
298 |
299 |
296 |
298 |
|
a, b, c () |
11.046(2), 12.2941(15), 14.0978(16) |
10.934(6), 12.443(4), 14.112(6) |
12.013(4), 12.089(4), 15.162(5) |
8.132(3), 22.851(5), 11.372(3) |
9.0286(17), 10.532(2), 13.066(3) |
| , , () |
90, 94.740(16), 90 |
90, 94.76(4), 90 |
106.17(2), 97.34(3), 106.79(3) |
90, 109.03(2), 90 |
94.838(14), 100.947(12), 103.989(13) |
|
V (3) |
1907.9(5) |
1913.4(14) |
1972.0(11) |
1997.8(10) |
1172.5(4) |
|
Z
|
4 |
4 |
4 |
4 |
1 |
| Radiation type |
Mo K
|
Mo K
|
Mo K
|
Mo K
|
Mo K
|
| (mm1) |
1.14 |
3.08 |
4.08 |
0.96 |
1.45 |
| Crystal size (mm) |
0.40 0.12 0.10 |
0.60 0.40 0.18 |
0.20 0.15 0.04 |
0.50 0.40 0.40 |
0.40 0.40 0.12 |
| |
| Data collection |
| Diffractometer |
Siemens P4 |
Siemens P4 |
Siemens P4 |
Siemens P4 |
Siemens P4 |
| Absorption correction |
scan (XSCANS; Siemens, 1996 ▸) |
scan (XSCANS; Siemens, 1996 ▸) |
scan (XSCANS; Siemens, 1996 ▸) |
scan (XSCANS; Siemens, 1996 ▸) |
scan (XSCANS; Siemens, 1996 ▸) |
|
T
min, T
max
|
0.469, 0.517 |
0.206, 0.352 |
0.446, 0.523 |
0.266, 0.366 |
0.256, 0.378 |
| No. of measured, independent and observed [I > 2(I)] reflections |
4513, 3372, 2110 |
12224, 4962, 3329 |
8975, 6835, 4559 |
8431, 4032, 3528 |
8889, 5367, 4874 |
|
R
int
|
0.044 |
0.080 |
0.043 |
0.056 |
0.038 |
| (sin /)max (1) |
0.596 |
0.677 |
0.595 |
0.623 |
0.650 |
| |
| Refinement |
|
R[F
2 > 2(F
2)], wR(F
2), S
|
0.060, 0.158, 1.05 |
0.051, 0.148, 1.05 |
0.040, 0.101, 1.03 |
0.036, 0.097, 1.08 |
0.039, 0.107, 1.06 |
| No. of reflections |
3372 |
4962 |
6835 |
4032 |
5367 |
| No. of parameters |
230 |
231 |
414 |
248 |
282 |
| H-atom treatment |
H-atom parameters constrained |
H-atom parameters constrained |
H-atom parameters constrained |
H-atom parameters constrained |
H-atom parameters constrained |
|
max, min (e 3) |
1.45, 1.11 |
1.10, 1.01 |
0.85, 1.04 |
0.55, 1.04 |
0.83, 1.06 |
