| Crystal data |
| Chemical formula |
[Cd(C2H8NO6P2)2(H2O)4]2H2O |
|
M
r
|
628.57 |
| Crystal system, space group |
Monoclinic, P21/c
|
| Temperature (K) |
298 |
|
a, b, c () |
10.69424(12), 5.61453(5), 17.2737(2) |
| () |
100.7029(8) |
|
V (3) |
1019.12(2) |
|
Z
|
2 |
| Radiation type |
Cu K
1, = 1.5406 |
| (mm1) |
12.41 |
| Specimen shape, size (mm) |
Flat sheet, 8 8 |
| |
| Data collection |
| Diffractometer |
Stoe transmission STADI-P |
| Specimen mounting |
Powder loaded into two Mylar foils |
| Data collection mode |
Transmission |
| Scan method |
Step |
| Absorption correction |
For a cylinder mounted on the axis [GSAS (Larson Von Dreele, 2004 ▸) absorption/surface roughness correction: function No. 4, flat-plate transmission absorption correction, terms = 0.75850] |
|
T
min, T
max
|
0.195, 0.310 |
| 2 values () |
2min = 6.00 2max = 89.98 2step = 0.02 |
| |
| Refinement |
|
R factors and goodness of fit |
R
p = 0.029, R
wp = 0.039, R
exp = 0.025, R(F
2) = 0.04534, 2 = 2.624 |
| No. of data points |
4100 |
| No. of parameters |
133 |
| No. of restraints |
4 |
| H-atom treatment |
H-atom parameters not refined |
