Accuracy
Sr(II)N6F3 (UDIRAA) r
4516 Sr(II)N6F3 (UDIRAA) (Geo)
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REF: The Cambridge Structural Database: a quarter of a million crystal structures and rising. F. H. Allen, Acta Cryst. B58, 380-388, (2002)
RELSCF=0.1 PM7
Sr(II)N6F3 (UDIRAA)
<Sr-F> <Sr-F> <F-Sr-F> <Sr-N> <N-Sr-F> GR=CCDC GWT=0.5 NOSCALE
Sr 0.00000000 +0 0.0000000 +0 0.0000000 +0 0 0 0
F 2.45092300 +1 0.0000000 +0 0.0000000 +0 1 0 0
F 2.79554300 +1 70.3010000 +1 0.0000000 +0 1 2 0
N 2.76233100 +1 116.2285150 +1 -138.0385422 +1 1 2 3
F -0.91602517 +1 3.9061784 +1 0.3533222 +1 0 0 0
F 3.96147133 +1 -1.6624287 +1 -0.2264280 +1 0 0 0
F 4.03868406 +1 -0.2976988 +1 1.5839053 +1 0 0 0
F 2.31917924 +1 -1.7355232 +1 1.3160492 +1 0 0 0
B -0.22020649 +1 3.1506214 +1 -0.5322207 +1 0 0 0
B 3.24826921 +1 -0.9322137 +1 0.6770277 +1 0 0 0
N -1.72165724 +1 -1.6937749 +1 2.9147661 +1 0 0 0
N -2.50870065 +1 0.8804231 +1 1.6229572 +1 0 0 0
N -2.70209680 +1 0.5097547 +1 2.9267815 +1 0 0 0
N 0.32454784 +1 0.5592088 +1 2.7405893 +1 0 0 0
N -0.46085046 +1 0.1719547 +1 3.7919421 +1 0 0 0
N -0.12780530 +1 -0.1477502 +1 -2.9888345 +1 0 0 0
N -0.77611715 +1 -1.0424116 +1 -3.7937504 +1 0 0 0
N 0.39193030 +1 -2.7682827 +1 -1.5423631 +1 0 0 0
N -0.24866791 +1 -3.1368375 +1 -2.6953693 +1 0 0 0
N -2.35908508 +1 -1.3471432 +1 -1.2874483 +1 0 0 0
N -2.42322458 +1 -2.1341343 +1 -2.3966035 +1 0 0 0
C -1.27171207 +1 -3.1601855 +1 1.3798213 +1 0 0 0
H -0.92668772 +1 -3.5549973 +1 0.4363702 +1 0 0 0
C -1.82171157 +1 -3.8823632 +1 2.4887717 +1 0 0 0
H -1.97074466 +1 -4.9371392 +1 2.5463292 +1 0 0 0
C -2.09883498 +1 -2.9248169 +1 3.4553412 +1 0 0 0
H -2.51296623 +1 -3.0276607 +1 4.4372195 +1 0 0 0
C -3.32795099 +1 1.9174997 +1 1.3940137 +1 0 0 0
H -3.38244468 +1 2.4076038 +1 0.4298674 +1 0 0 0
C -4.05243301 +1 2.2564317 +1 2.5924972 +1 0 0 0
H -4.76594257 +1 3.0451841 +1 2.6895453 +1 0 0 0
C -3.61863603 +1 1.3651732 +1 3.5579359 +1 0 0 0
H -3.89473488 +1 1.2581893 +1 4.5863762 +1 0 0 0
C 1.41780050 +1 1.1293894 +1 3.2676563 +1 0 0 0
H 2.22375372 +1 1.5098735 +1 2.6454297 +1 0 0 0
C 1.33696619 +1 1.1273925 +1 4.7057830 +1 0 0 0
H 2.07712950 +1 1.5104464 +1 5.3744771 +1 0 0 0
C 0.13146032 +1 0.5215799 +1 5.0142585 +1 0 0 0
H -0.32483375 +1 0.3110816 +1 5.9582601 +1 0 0 0
C -1.78813871 +1 -0.4056250 +1 3.6138116 +1 0 0 0
H -2.22294201 +1 -0.6051892 +1 4.6533363 +1 0 0 0
C 0.17741072 +1 0.9065007 +1 -3.7620345 +1 0 0 0
H 0.70080826 +1 1.7735864 +1 -3.3729625 +1 0 0 0
C -0.29362527 +1 0.6959120 +1 -5.1051109 +1 0 0 0
H -0.18957416 +1 1.3777982 +1 -5.9210340 +1 0 0 0
C -0.89993749 +1 -0.5491100 +1 -5.0995139 +1 0 0 0
H -1.38234754 +1 -1.0955632 +1 -5.8826111 +1 0 0 0
C 1.42090373 +1 -3.6167926 +1 -1.3928099 +1 0 0 0
H 2.09893271 +1 -3.5641550 +1 -0.5466424 +1 0 0 0
C 1.47411154 +1 -4.5418288 +1 -2.4951127 +1 0 0 0
H 2.19768254 +1 -5.3170908 +1 -2.6261203 +1 0 0 0
C 0.41667583 +1 -4.2026982 +1 -3.3202845 +1 0 0 0
H 0.08650976 +1 -4.6270497 +1 -4.2457040 +1 0 0 0
C -3.57382735 +1 -1.4032291 +1 -0.7093502 +1 0 0 0
H -3.79649920 +1 -0.8565163 +1 0.1942199 +1 0 0 0
C -4.44540411 +1 -2.2573135 +1 -1.4627831 +1 0 0 0
H -5.46330182 +1 -2.4816926 +1 -1.2339739 +1 0 0 0
C -3.68750357 +1 -2.7127167 +1 -2.5331940 +1 0 0 0
H -3.94487443 +1 -3.3705256 +1 -3.3380041 +1 0 0 0
C -1.29147375 +1 -2.3208172 +1 -3.3134141 +1 0 0 0
H -1.68490570 +1 -2.8975884 +1 -4.2208511 +1 0 0 0
F -0.04245646 +1 3.7530241 +1 -1.7323992 +1 0 0 0
F -0.89828474 +1 1.9028762 +1 -0.7182372 +1 0 0 0