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. 2021 Feb 15;12(12):4599–4622. doi: 10.1039/d0sc06028c

Bond-length statistics for cations bonded to N3−.

Ion Coordination number Number of coordination polyhedraa Number of bonds Mean bond-length (Å) Standard deviation (Å) Range (Å) Maximum bond-length (Å) Minimum bond-length (Å)
H+ 2 0 (29) 0 (58)
3 0 (1) 0 (3)
Li+ 2 11 22 1.947 0.025 0.078 1.990 1.912
3 12 36 2.121 0.029 0.125 2.181 2.056
4 43 (10) 172 (40) 2.148 0.103 0.690 2.613 1.923
5 2 (2) 10 (10) 2.240 0.185 0.681 2.722 2.041
6 3 18 2.255 0.039 0.094 2.302 2.208
Be2+ 3 1 3 1.660 0.026 0.059 1.683 1.624
4 1 4 1.746 0.014 0.038 1.770 1.732
B3+ 2 31 62 1.337 0.017 0.096 1.383 1.287
3 12 (3) 36 (9) 1.473 0.029 0.143 1.545 1.402
4 4 (1) 16 (4) 1.557 0.019 0.052 1.570 1.518
C4+ 2 33 (4) 66 (8) 1.226 0.061 0.188 1.325 1.137
3 103 (130) 309 (390) 1.326 0.017 0.119 1.395 1.276
N5+ 2 2 4 1.194 0.000 0.000 1.194 1.194
3 0 (4) 0 (12)
Na+ 4 6 (5) 24 (20) 2.417 0.052 0.200 2.538 2.338
5 12 (7) 60 (35) 2.594 0.196 0.783 3.116 2.333
6 16 (26) 96 (156) 2.562 0.113 0.640 3.022 2.382
7 0 (2) 0 (14)
Mg2+ 4 4 16 2.121 0.049 0.162 2.198 2.036
6 0 (3) 0 (18)
Al3+ 4 9 36 1.898 0.043 0.144 1.984 1.840
6 1 (1) 6 (6) 2.044 0.006 0.015 2.052 2.037
Si4+ 4 46 (11) 184 (44) 1.738 0.039 0.288 1.941 1.653
5 1 5 1.943 0.259 0.588 2.287 1.699
P5+ 4 28 (52) 112 (208) 1.624 0.030 0.151 1.711 1.560
S4+ 2 9 (1) 18 (2) 1.552 0.020 0.069 1.596 1.527
S6+ 4 0 (46) 0 (184)
K+ 4 1 4 2.688 0.025 0.061 2.709 2.648
5 1 5 2.907 0.165 0.424 3.134 2.710
6 19 (6) 114 (36) 2.894 0.112 0.509 3.210 2.701
7 0 (12) 0 (84)
8 6 (15) 48 (120) 3.115 0.236 0.898 3.703 2.805
9 0 (6) 0 (54)
10 1 10 3.083 0.305 0.844 3.638 2.794
Ca2+ 4 9 36 2.491 0.031 0.115 2.526 2.411
5 16 (1) 80 (5) 2.526 0.113 0.510 2.823 2.313
6 11 (4) 66 (24) 2.563 0.107 0.616 2.965 2.349
7 0 (1) 0 (7)
9 1 9 2.770 0.072 0.155 2.823 2.668
V2+ 6 1 6 2.224 0.000 0.000 2.224 2.224
V3+ 3 1 3 1.815 0.007 0.017 1.825 1.808
6 1 6 2.044 0.005 0.012 2.051 2.039
V5+ 4 1 4 1.842 0.016 0.038 1.851 1.813
Cr2+ 6 1 6 2.224 0.000 0.000 2.224 2.224
Cr3+ 3 1 3 1.798 0.046 0.097 1.863 1.766
6 11 (14) 66 (84) 2.078 0.025 0.193 2.158 1.965
Cr5+ 4 1 4 1.755 0.002 0.004 1.757 1.753
Cr6+ 4 2 8 1.763 0.013 0.031 1.780 1.749
Mn2+ 4 3 12 2.109 0.032 0.095 2.166 2.071
5 1 (1) 5 (5) 2.306 0.326 0.827 2.958 2.131
6 6 (14) 36 (84) 2.241 0.044 0.247 2.417 2.170
Mn3+ 3 3 9 1.760 0.025 0.059 1.798 1.739
Mn5+ 4 2 8 1.818 0.007 0.015 1.825 1.810
Fe2+ 3 3 9 1.899 0.026 0.080 1.941 1.861
4 1 4 2.008 0.000 0.000 2.008 2.008
6 9 (2) 54 (12) 2.196 0.032 0.128 2.274 2.146
Fe3+ 3 1 3 1.730 0.000 0.000 1.730 1.730
4 1 4 1.957 0.000 0.000 1.957 1.957
6 1 6 2.207 0.000 0.000 2.207 2.207
Co+ 2 1 2 1.749 0.000 0.000 1.749 1.749
Co2+ 4 4 16 1.963 0.011 0.035 1.983 1.948
6 2 (3) 12 (18) 2.181 0.005 0.010 2.186 2.176
Co3+ 6 36 (30) 216 (180) 1.963 0.013 0.115 2.007 1.892
Ni2+ 4 10 40 1.928 0.025 0.141 2.014 1.873
6 4 (5) 24 (30) 2.127 0.026 0.085 2.164 2.079
Cu+ 2 8 16 1.875 0.022 0.084 1.931 1.847
4 1 4 1.977 0.000 0.000 1.977 1.977
Cu2+ 4 1 (1) 4 (4) 1.941 0.012 0.032 1.953 1.921
5 0 (2) 0 (10)
6 3 (10) 18 (60) 2.185 0.288 0.843 2.722 1.879
Zn2+ 2 3 6 1.860 0.013 0.032 1.874 1.842
4 23 (2) 92 (8) 1.984 0.038 0.180 2.086 1.906
6 1 6 2.136 0.000 0.000 2.136 2.136
Ga3+ 4 3 12 1.952 0.040 0.159 2.063 1.904
6 1 6 2.079 0.012 0.035 2.099 2.064
Ge4+ 4 0 (2) 0 (8)
Se6+ 4 0 (2) 0 (8)
Rb+ 6 6 36 3.080 0.104 0.441 3.347 2.906
7 1 (1) 7 (7) 3.085 0.099 0.315 3.191 2.876
8 14 (3) 112 (24) 3.263 0.193 0.806 3.764 2.958
9 0 (1) 0 (9)
10 1 10 3.484 0.308 0.804 3.915 3.111
11 0 (1) 0 (11)
12 1 12 3.568 0.283 0.605 3.773 3.168
Sr2+ 4 9 36 2.641 0.030 0.137 2.682 2.545
5 6 30 2.691 0.122 0.460 2.940 2.480
6 9 (1) 54 (6) 2.749 0.150 0.708 3.216 2.508
7 1 (1) 7 (7) 2.916 0.229 0.601 3.221 2.620
8 1 (1) 8 (8) 2.977 0.299 0.811 3.379 2.568
10 2 20 2.999 0.248 0.810 3.380 2.570
13 1 13 3.268 0.311 1.024 3.730 2.706
Y3+ 6 5 30 2.394 0.050 0.174 2.478 2.304
Nb5+ 4 10 40 1.963 0.024 0.110 2.026 1.916
6 2 12 2.126 0.003 0.006 2.129 2.123
Mo6+ 4 11 (1) 44 (4) 1.864 0.031 0.149 1.951 1.802
5 0 (1) 0 (5)
Ru3+ 6 8 48 2.092 0.005 0.019 2.101 2.082
Rh3+ 6 3 (2) 18 (12) 2.071 0.007 0.024 2.078 2.054
Pd2+ 4 5 20 2.044 0.015 0.060 2.079 2.019
Ag+ 2 9 (2) 18 (4) 2.125 0.026 0.108 2.192 2.084
3 2 6 2.266 0.099 0.295 2.445 2.150
4 2 8 2.277 0.024 0.085 2.316 2.231
5 0 (1) 0 (5)
6 0 (2) 0 (12)
Cd2+ 6 4 (4) 24 (24) 2.341 0.044 0.227 2.466 2.239
Sn2+ 3 1 3 2.143 0.019 0.042 2.170 2.128
Sn4+ 6 4 24 2.177 0.000 0.001 2.178 2.177
Cs+ 6 1 6 3.187 0.000 0.000 3.187 3.187
7 2 14 3.342 0.135 0.393 3.549 3.156
8 5 (1) 40 (8) 3.396 0.146 0.641 3.818 3.177
9 2 (1) 18 (9) 3.479 0.242 0.839 3.940 3.101
10 5 50 3.559 0.185 0.836 4.034 3.198
11 1 11 3.665 0.242 0.698 4.068 3.370
12 5 (1) 60 (12) 3.642 0.145 0.448 3.827 3.379
Ba2+ 4 1 4 2.738 0.065 0.155 2.798 2.643
5 6 (1) 30 (5) 2.868 0.088 0.388 3.041 2.653
6 13 (1) 78 (6) 2.896 0.156 0.768 3.375 2.607
7 16 112 2.960 0.177 0.771 3.447 2.676
8 7 56 3.059 0.234 0.846 3.519 2.673
9 0 (3) 0 (27)
10 0 (3) 0 (30)
11 0 (1) 0 (11)
14 1 14 3.293 0.226 0.665 3.490 2.825
La3+ 6 1 (1) 6 (6) 2.531 0.006 0.013 2.535 2.522
7 1 (1) 7 (7) 2.607 0.151 0.397 2.834 2.437
8 8 (3) 64 (24) 2.698 0.104 0.553 2.965 2.412
9 3 (3) 27 (27) 2.770 0.154 0.621 3.098 2.477
Ce3+ 8 3 (2) 24 (16) 2.646 0.120 0.486 2.849 2.363
9 2 (4) 18 (36) 2.740 0.192 0.713 3.133 2.420
Ce4+ 6 1 6 2.427 0.000 0.000 2.427 2.427
Pr3+ 7 1 7 2.572 0.081 0.236 2.691 2.455
8 0 (1) 0 (8)
9 0 (1) 0 (9)
Nd3+ 6 2 12 2.497 0.062 0.164 2.571 2.407
8 1 (3) 8 (24) 2.589 0.005 0.010 2.594 2.584
9 0 (2) 0 (18)
Sm3+ 7 1 7 2.477 0.046 0.162 2.544 2.382
8 0 (5) 0 (40)
9 0 (1) 0 (9)
Eu2+ 6 2 12 2.599 0.106 0.279 2.715 2.436
8 1 8 2.861 0.256 0.681 3.235 2.554
10 1 10 2.928 0.214 0.717 3.246 2.529
12 1 12 2.993 0.048 0.135 3.059 2.924
Eu3+ 6 1 6 2.463 0.002 0.003 2.464 2.461
8 0 (1) 0 (8)
9 0 (1) 0 (9)
Gd3+ 9 0 (2) 0 (18)
Tb3+ 8 0 (3) 0 (24)
Dy3+ 8 0 (1) 0 (8)
Ho3+ 6 1 6 2.417 0.104 0.274 2.609 2.335
8 0 (1) 0 (8)
Er3+ 6 1 (2) 6 (12) 2.401 0.056 0.165 2.525 2.360
8 0 (2) 0 (16)
Yb3+ 6 2 12 2.366 0.046 0.124 2.417 2.293
7 1 7 2.397 0.138 0.403 2.664 2.261
Lu3+ 6 1 6 2.304 0.021 0.042 2.325 2.283
Hf4+ 8 1 8 2.327 0.148 0.295 2.474 2.179
Ta5+ 4 5 20 1.959 0.027 0.106 2.008 1.902
W6+ 4 26 (1) 104 (4) 1.868 0.054 0.218 1.972 1.754
Pt2+ 4 4 (11) 16 (44) 2.049 0.008 0.030 2.065 2.035
Au+ 2 2 4 2.020 0.006 0.013 2.025 2.012
Tl+ 6 2 12 3.039 0.167 0.571 3.385 2.814
7 5 35 3.117 0.240 0.913 3.664 2.751
8 1 8 3.204 0.239 0.762 3.542 2.780
Pb2+ 5 1 5 2.559 0.125 0.313 2.622 2.309
7 1 7 2.724 0.064 0.155 2.822 2.667
Bi3+ 8 0 (3) 0 (24)
U4+ 8 1 8 2.424 0.040 0.080 2.464 2.384
U6+ 7 0 (2) 0 (14)
a

Numbers in parentheses are for mixed (O2− and N3−) coordination polyhedra. Statistical results given here do not include these data.