Geometry. Distance SDEV3.4016 (0.0055) C22 - O3_$6 3.4056 (0.0070) C4 - C15_$5 3.6879 (0.0005) Pt1 - Pt1_$5 3.7230 (0.0005) Pt2 - Pt2_$6$5 1.5 - x, 0.5 - y, 1 - z $6 0.5 - x, 0.5 - y, 1 - zLeast-squares planes (x,y,z in crystal coordinates) and deviations from them (* indicates atom used to define plane)17.0464 (0.0086) x + 3.5524 (0.0343) y - 3.1157 (0.0389) z = 1.9362 (0.0174)* -0.0159 (0.0032) C22 * 0.0106 (0.0035) C23 * 0.0050 (0.0037) C24 * -0.0152 (0.0036) C25 * 0.0096 (0.0034) C26 * 0.0059 (0.0032) C27Rms deviation of fitted atoms = 0.011217.1816 (0.0082) x + 3.3837 (0.0389) y - 2.0681 (0.0436) z = 2.4419 (0.0278)Angle to previous plane (with approximate e.s.d.) = 3.118 (0.129)* -0.0040 (0.0032) N2 * 0.0023 (0.0037) C17 * 0.0000 (0.0041) C18 * -0.0004 (0.0041) C19 * -0.0014 (0.0038) C20 * 0.0036 (0.0033) C21Rms deviation of fitted atoms = 0.00253.5018 (0.0341) x + 17.1159 (0.0108) y - 4.2313 (0.0388) z = 3.1261 (0.0262)Angle to previous plane (with approximate e.s.d.) = 66.846 (0.177)* 0.0047 (0.0032) C6 * -0.0001 (0.0036) C7 * -0.0055 (0.0037) C8 * 0.0064 (0.0036) C9 * -0.0015 (0.0033) C10 * -0.0040 (0.0031) C11Rms deviation of fitted atoms = 0.00433.8621 (0.0359) x + 17.0726 (0.0113) y - 4.0479 (0.0426) z = 3.4669 (0.0355)Angle to previous plane (with approximate e.s.d.) = 1.309 (0.166)* -0.0056 (0.0031) N1 * 0.0048 (0.0038) C1 * -0.0003 (0.0042) C2 * -0.0032 (0.0042) C3 * 0.0024 (0.0037) C4 * 0.0019 (0.0032) C5Rms deviation of fitted atoms = 0.003517.0575 (0.0059) x + 3.8901 (0.0226) y - 2.3217 (0.0295) z = 2.4371 (0.0163)Angle to previous plane (with approximate e.s.d.) = 63.889 (0.149)* 0.0136 (0.0026) O3 * 0.0004 (0.0034) C29 * -0.0121 (0.0038) C30 * -0.0006 (0.0035) C31 * 0.0149 (0.0026) O4 * -0.0162 (0.0018) Pt2Rms deviation of fitted atoms = 0.011717.1494 (0.0057) x + 3.4219 (0.0232) y - 2.3782 (0.0383) z = 2.2709 (0.0209)Angle to previous plane (with approximate e.s.d.) = 1.538 (0.086)* -0.0073 (0.0024) N2 * 0.0020 (0.0029) C21 * 0.0076 (0.0030) C22 * -0.0104 (0.0026) C27 * 0.0081 (0.0018) Pt2Rms deviation of fitted atoms = 0.00763.7521 (0.0218) x + 17.0640 (0.0077) y - 4.2225 (0.0285) z = 3.2745 (0.0235)Angle to previous plane (with approximate e.s.d.) = 65.705 (0.111)* -0.0132 (0.0026) O1 * -0.0080 (0.0035) C13 * 0.0257 (0.0037) C14 * -0.0103 (0.0034) C15 * -0.0121 (0.0026) O2 * 0.0179 (0.0017) Pt1Rms deviation of fitted atoms = 0.01573.7578 (0.0215) x + 17.0576 (0.0090) y - 4.2485 (0.0367) z = 3.2795 (0.0249)Angle to previous plane (with approximate e.s.d.) = 0.080 (0.123)* -0.0089 (0.0023) N1 * 0.0120 (0.0028) C5 * -0.0086 (0.0028) C6 * 0.0027 (0.0024) C11 * 0.0028 (0.0017) Pt1Rms deviation of fitted atoms = 0.0079 |