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hnthdht至尊木蟲 (職業(yè)作家)
知識青年
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[求助]
審稿人問Is the compd really triclinic ?
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數(shù)據(jù)如下,這有問題嗎? _symmetry_cell_setting Triclinic _symmetry_space_group_name_H-M P-1 _cell_length_a 9.7217(6) _cell_length_b 10.6264(6) _cell_length_c 11.6749(7) _cell_angle_alpha 63.7590(10) _cell_angle_beta 89.8230(10) _cell_angle_gamma 74.9970(10) _cell_volume 1036.25(11) _cell_formula_units_Z 2 |

木蟲 (正式寫手)

鐵桿木蟲 (著名寫手)
至尊木蟲 (職業(yè)作家)
知識青年
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checkcif結(jié)果如下,A,B,C,D錯誤都沒有啊 Datablock: 4 Bond precision: C-C = 0.0056 A Wavelength=0.71073 Cell: a=9.7217(6) b=10.6264(6) c=11.6749(7) alpha=63.759(1) beta=89.823(1) gamma=74.997(1) Temperature: 298 K Calculated Reported Volume 1036.25(11) 1036.25(11) Space group P -1 P-1 Hall group -P 1 ? Moiety formula Mo4 O13, C12 H20 N4 ? Sum formula C12 H20 Mo4 N4 O13 C12 H20 Mo4 N4 O13 Mr 812.08 812.08 Dx,g cm-3 2.603 2.603 Z 2 2 Mu (mm-1) 2.442 2.442 F000 784.0 784.0 F000’ 770.53 h,k,lmax 12,13,14 12,13,14 Nref 4298 4210 Tmin,Tmax 0.711,0.783 0.696,0.792 Tmin’ 0.670 Correction method= NONE Data completeness= 0.980 Theta(max)= 26.500 R(reflections)= 0.0273( 3914) wR2(reflections)= 0.0664( 4210) S = 1.072 Npar= 300 The following ALERTS were generated. Each ALERT has the format test-name_ALERT_alert-type_alert-level. Click on the hyperlinks for more details of the test. Alert level G PLAT004_ALERT_5_G Info: Polymeric Structure Found with Dimension . 1 PLAT005_ALERT_5_G No _iucr_refine_instructions_details in CIF .... ? PLAT154_ALERT_1_G The su’s on the Cell Angles are Equal .......... 0.00100 Deg. PLAT432_ALERT_2_G Short Inter X...Y Contact O12 .. C4 .. 2.97 Ang. PLAT764_ALERT_4_G Overcomplete CIF Bond List Detected (Rep/Expd) . 1.15 Ratio |

金蟲 (小有名氣)

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