| Crystal data |
| Chemical formula |
Co12P7
|
Co12P7
|
|
M
r
|
923.95 |
923.95 |
| Crystal system, space group |
Hexagonal, P
|
Hexagonal, P
|
| Temperature (K) |
293 |
293 |
|
a, c (Å) |
7.9700 (14), 3.2034 (4) |
8.253 (5), 3.2902 (18) |
|
V (Å3) |
176.22 (7) |
194.1 (3) |
|
Z
|
1 |
1 |
| Radiation type |
Synchrotron, λ = 0.29521 Å |
Synchrotron, λ = 0.3344 Å |
| μ (mm−1) |
2.47 |
3.17 |
| Crystal size (mm) |
0.01 × 0.01 × 0.01 |
0.01 × 0.01 × 0.01 |
| |
| Data collection |
| Diffractometer |
13IDD @ APS |
13BMD @ APS |
| Absorption correction |
Multi-scan (CrysAlis PRO; Rigaku OD, 2018 ▸) |
Multi-scan (CrysAlis PRO; Rigaku OD, 2018 ▸) |
|
T
min, T
max
|
0.789, 1.000 |
0.546, 1.000 |
| No. of measured, independent and observed [I > 2σ(I)] reflections |
336, 292, 279 |
592, 321, 253 |
|
R
int
|
0.006 |
0.055 |
| (sin θ/λ)max (Å−1) |
0.874 |
0.762 |
| |
| Refinement |
|
R[F
2 > 2σ(F
2)], wR(F
2), S
|
0.037, 0.096, 1.12 |
0.053, 0.105, 1.11 |
| No. of reflections |
292 |
321 |
| No. of parameters |
32 |
32 |
| Δρmax, Δρmin (e Å−3) |
2.35, −1.81 |
1.70, −1.74 |
| Absolute structure |
Flack x determined using 75 quotients [(I
+)−(I
−)]/[(I
+)+(I
−)] (Parsons et al., 2013 ▸) |
Flack x determined using 78 quotients [(I
+)−(I
−)]/[(I
+)+(I
−)] (Parsons et al., 2013 ▸) |
| Absolute structure parameter |
0.42 (6) |
0.4 (2) |
