American Mineralogist Crystal Structure Database

2 matching records for this search.

C12H28N(RuCl4(C7H5N)2)
 
Duff C M, Heath G A, Willis A C
Download http://scripts.iucr.org/cgi-bin/openurl?genre=article&issn=0108-2701&volume=46&spage=2320
Acta Crystallographica C46 (1990) 2320-2324
Structural characterization of the RuIII benzonitrile complexes
(Bu4N)[RuCl4(C6H5CN)2] and [RuCl3(C6H5CN)3]
_database_code_amcsd 0010228
15.627 13.936 17.319 90 113.66 90 P2_1/c
atom       x       y       z  occ  Uiso
Cl11  .04464 -.03272 -.11207      .0481
Cl12 -.05185  .15241 -.05751      .0674
N1     .1283   .0562   .0655      .0686
C11    .1995   .0892   .0978       .057
C12    .2914   .1320   .1353       .054
C13    .3102   .2151   .1024       .049
C14    .3981   .2532   .1348       .071
C15    .4678   .2076   .1987       .086
C16    .4501   .1256   .2331       .087
C17    .3617   .0866   .2022       .075
Ru2       .5       0      .5       .055
C121  .38245 -.01149  .55205      .0386
C122  .59540  .07709  .62638      .0536
N2     .4521   .1297   .4525      .0537
C21    .4285   .2054   .4299       .047
C22A   .4078   .3033   .4065 .614  .050
C23A   .4322   .3743   .4664 .614  .054
C24A   .4169   .4687   .4423 .614  .091
C25A   .3772   .4922   .3583 .614  .113
C26A   .3528   .4212   .2984 .614  .100
C27A   .3681   .3268   .3225 .614  .098
C22B   .3948   .3021   .3955 .386  .068
C23B   .3449   .3549   .4300 .386  .054
C24B   .3154   .4457   .4008 .386  .091
C25B   .3359   .4837   .3371 .386  .113
C26B   .3858   .4309   .3026 .386  .100
C27B   .4153   .3401   .3318 .386  .098
N3     .8658   .1797   .6529       .068
C31    .8608   .0830   .6925       .045
C32    .8528  -.0035   .6386       .055
C33    .8340  -.0935   .6800       .065
C34    .8234  -.1800   .6258       .090
C41    .7727   .1964   .5795       .105
C42    .7616   .2913   .5346       .046
C43    .6635   .2984   .4659       .053
C44    .6539   .3803   .4063       .065
C51    .8861   .2575   .7192       .094
C52    .8107   .2752   .7514       .052
C53    .8385   .3591   .8127       .058
C54    .7722   .3721   .8561       .071
C61    .9419   .1815   .6195       .096
C62    .0386   .1537   .6808       .056
C63    .1084   .1671   .6418       .075
C64    .0930   .1102   .5670       .087
Download AMC data (View Text File)
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Download diffraction data (View Text File)
View JMOL 3-D Structure (permalink)
 
RuCl3(C6H5CN)3.0.5(C6H5CN)
 
Duff C M, Heath G A, Willis A C
Download http://scripts.iucr.org/cgi-bin/openurl?genre=article&issn=0108-2701&volume=46&spage=2320
Acta Crystallographica C46 (1990) 2320-2324
Structural characterization of the RuIII benzonitrile complexes
(Bu4N)[RuCl4(C6H5CN)2] and [RuCl3(C6H5CN)3]
_database_code_amcsd 0010229
9.981 10.895 11.563 80.86 87.60 88.64 P-1
atom      x      y      z occ  Uiso
Ru   .18013 .34532 .16346     .0454
Cl1  -.0326  .2984  .1112      .065
Cl2   .1284  .2727  .3570      .075
Cl3   .3967  .3978  .2015      .078
N1    .1157  .5148  .1916      .050
C1     .082   .610  .2109      .052
C11    .049  .7302   .244      .047
C12    .054   .747   .357       .08
C13    .031   .868   .381       .09
C14   -.001   .963   .293       .08
C15   -.014   .943   .182       .07
C16    .013   .826  .1540      .056
N2    .2241  .4039 -.0120      .057
C2     .244   .428  -.109      .063
C21    .269   .448  -.235       .06
C22    .274   .568  -.296       .09
C23    .295   .582  -.414       .12
C24    .316   .484  -.470       .12
C25    .314   .368  -.411       .12
C26    .291   .349  -.290       .09
N3    .2483  .1761  .1385      .060
C3     .285  .0821  .1231      .058
C31    .331  -.042   .105      .058
C32    .337  -.066  -.007       .08
C33    .377  -.185  -.027       .09
C34    .406  -.274   .065       .11
C35    .398  -.249  -.175       .10
C36    .364  -.130   .199       .08
C91   .4698 -.0156  .5347  .5   .11
C92    .441  .0818  .4445  .5   .11
C93    .542   .130  .3637  .5   .14
C94    .672   .080   .373  .5   .16
C95   .7017  -.017   .463  .5   .16
C96    .600  -.065   .544  .5   .10
N9     .284  -.104   .683  .5   .31
C9     .365  -.065   .618  .5   .22
Download AMC data (View Text File)
Download CIF data (View Text File)
Download diffraction data (View Text File)
View JMOL 3-D Structure (permalink)
 
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Total number of retrieved datasets: 2
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