Table 1 Summary of X-ray data collection conditions and refinement results.
Resolution (Å)/CCDC-no | Wavelength* | Temperature | Crystal/crystallographic chirality | HAR/XCW/MM | R-value | Residual density e/Å3 (max/min) | |
|---|---|---|---|---|---|---|---|
1 | 0.491/ 2309624 | Ag | 100 K | Natural shape 1 LS§ | Yes/yes/yes | 0.0118 0.0104 0.0110 | 0.110/− 0.076 0.089/− 0.072 0.090/− 0.082 |
2 | 0.805/ 2309650 | Cu | 100 K | Natural shape 1 LS | Yes/yes/no | 0.0100 0.0076 N/A | 0.078/− 0.053 0.052/− 0.044 N/A |
3 | 0.541/ 2309729 | Mo** | 100 K | Natural shape 1 LS | Yes/yes/yes | 0.0157 0.0141 0.0147 | 0.119/− 0.136 0.103/− 0.116 0.121/− 0.118 |
4 | 0.460/ 2310481 | Mo# | 100 K | Natural shape 4 LS | Yes/yes/no | 0.0078 0.0072 N/A | 0.099/− 0.065 0.101/− 0.059 N/A |
5 | 0.513/ 2310470 | Mo# | 100 K | Natural shape 2 LS | Yes/yes/no | 0.0100 0.0089 N/A | 0.189/− 0.072 0.165/− 0.102 N/A |
6 | 0.417/ 2310479 | Synchrotron SPring-8 | 100 K | Natural shape 5 LS | Yes/yes/no | 0.0088 0.0092 N/A | 0.111/− 0.104 0.065/− 0.077 N/A |
7 | 0.436/ 2310478 | Synchrotron SPring-8 | 100 K | Natural shape 6 LS | Yes/yes/no | 0.0107 0.0101 N/A | 0.113/− 0.167 0.088/− 0.103 N/A |
8 | 0.491/ 2310480 | Synchrotron SPring-8 | 100 K | Natural shape 7 LS | Yes/yes/no | 0.0157 0.0119 N/A | 0.282/− 0.516 0.184/− 0.223 N/A |
9 | 0.532/ 2309730 | Ag | 150 K | Natural shape 1 LS | Yes/yes/no | 0.0110 0.0093 N/A | 0.091/− 0.059 0.075/− 0.053 N/A |
10 | 0.802/ 2309737 | Cu | 150 K | Natural shape 1 LS | Yes/yes/no | 0.0070 0.0059 N/A | 0.070/− 0.046 0.051/− 0.038 N/A |
11 | 0.694/ 2309738 | Ag | 292 K | Natural shape 2 LS | Yes/yes/no | 0.0141 0.0103 N/A | 0.108/− 0.052 0.064/− 0.044 N/A |
12 | 0.748/ CCDC- 2309739 | Mo** | 292 K | Natural shape 2 LS | Yes/yes/no | 0.0133 0.0109 N/A | 0.069/− 0.060 0.048/− 0.055 N/A |
13 | 0.623/ 2310190 | Ag | 292 K | Test crystal 1 RS§ | Yes/yes/no | 0.0112 0.0096 N/A | 0.089/− 0.044 0.094/− 0.090 N/A |
14 | 0.620/ 2310191 | Mo** | 292 K | Test crystal 1 RS | Yes/yes/no | 0.0125 0.0115 N/A | 0.075/− 0.070 0.095/− 0.097 N/A |
15 | 0.806/ 2310482 | Cu | 292 K | Test crystal 2 LS | Yes/yes/no | 0.0110 0.0062 N/A | 0.070/− 0.076 0.026/− 0.029 N/A |
16 | 0.657/ 2310193 | Mo** | 292 K | Test crystal 2 LS | Yes/yes/yes | 0.0164 0.0135 0.0141 | 0.087/− 0.073 0.058/− 0.058 0.066/− 0.066 |
17 | 0.628/ 2310192 | Ag | 292 K | Test crystal 2 LS | Yes/yes/yes | 0.0178 0.0146 0.0143 | 0.145/− 0.091 0.076/− 0.069 0.072/− 0.066 |
18 | 0.807/ 2310197 | Cu | 292 K | Natural shape 2 LS | Yes/yes/no | 0.0099 0.0088 N/A | 0.048/− 0.053 0.055/− 0.073 N/A |
19 | 0.789/ 2310198 | Cu | 292 K | Test crystal 1 RS | Yes/yes/no | 0.0120 0.0097 N/A | 0.081/− 0.050 0.105/− 0.035 N/A |
20 | 0.807/ 2310199 | Cu | 292 K | Natural shape 3 LS | Yes/yes/no | 0.0097 0.0083 N/A | 0.059/− 0.057 0.046/− 0.059 N/A |
21 | 0.787/ 2310195 | Cu | 292 K | Test crystal 3 LS | Yes/yes/no | 0.0125 0.0094 N/A | 0.097/− 0.095 0.059/− 0.044 N/A |
22 | 0.800/ 2310196 | Cu | 292 K | Test crystal 4 LS | Yes/yes/no | 0.0103 0.0099 N/A | 0.059/− 0.072 0.061/− 0.067 N/A |
23 | 0.784/ 2310194 | Cu | 292 K | Test crystal 5 RS | Yes/yes/no | 0.0108 0.0093 N/A | 0.077/− 0.053 0.057/− 0.047 N/A |