# Electronic Supplementary Material (ESI) for ChemComm.
# This journal is © The Royal Society of Chemistry 2015

####################################################################### 
# 
# This file contains crystal structure data downloaded from the 
# Cambridge Structural Database (CSD) hosted by the Cambridge 
# Crystallographic Data Centre (CCDC).
# 
# Full information about CCDC data access policies and citation 
# guidelines are available at http://www.ccdc.cam.ac.uk/access/V1 
# 
# Audit and citation data items may have been added by the CCDC. 
# Please retain this information to preserve the provenance of 
# this file and to allow appropriate attribution of the data. 
# 
#######################################################################

data_vL140JE_0m
_database_code_depnum_ccdc_archive 'CCDC 1405959'
_audit_update_record             
;
2015-06-09 deposited with the CCDC.
2015-12-04 downloaded from the CCDC.
;
_symmetry_cell_setting           triclinic
_symmetry_space_group_name_H-M   'P -1'
_symmetry_Int_Tables_number      2
loop_
_symmetry_equiv_pos_site_id
_symmetry_equiv_pos_as_xyz
1 x,y,z
2 -x,-y,-z
_cell_length_a                   9.9254(2)
_cell_length_b                   17.1261(4)
_cell_length_c                   17.2860(4)
_cell_angle_alpha                65.6882(5)
_cell_angle_beta                 84.7287(5)
_cell_angle_gamma                74.8490(5)
_cell_volume                     2584.27
loop_
_atom_site_label
_atom_site_type_symbol
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
RH1 Rh -0.009188 0.7376 0.341476
C1 C -0.17651 0.798738 0.362537
O1 O -0.281689 0.838311 0.375519
P1A P -0.109001 0.672835 0.276158
C1A C 0.055791 0.599365 0.262871
B2A B 0.187482 0.625703 0.296672
H2A H 0.169291 0.679772 0.319812
B3A B 0.167264 0.650141 0.188114
H3A H 0.137485 0.71974 0.139241
B4A B 0.103004 0.564485 0.182465
H4A H 0.030823 0.57733 0.130081
B5A B 0.087031 0.487926 0.288452
H5A H 0.003931 0.450477 0.305702
B6A B 0.139545 0.526189 0.359457
H6A H 0.091062 0.514064 0.423176
B7A B 0.31925 0.52718 0.34251
H7A H 0.390517 0.515311 0.394953
B8A B 0.334791 0.604113 0.236441
H8A H 0.416216 0.642806 0.21934
B9A B 0.282223 0.564746 0.165857
H9A H 0.329566 0.577079 0.101823
B10A B 0.233426 0.464004 0.228239
H10A H 0.248543 0.409737 0.20563
B11A B 0.256399 0.440722 0.337261
H11A H 0.286598 0.371349 0.386536
B12A B 0.377227 0.488462 0.261115
H12A H 0.487411 0.450493 0.259929
C2A C -0.217918 0.595844 0.338092
H2C H -0.151814 0.541512 0.377385
C3A C -0.321853 0.629765 0.395519
H3C H -0.373886 0.585422 0.428152
H3D H -0.387087 0.684952 0.360456
H3E H -0.270882 0.640558 0.434579
C4A C -0.286751 0.565563 0.283431
H4C H -0.328576 0.517193 0.320214
H4D H -0.216297 0.544962 0.247935
H4E H -0.359517 0.615116 0.247094
C5A C -0.201616 0.743509 0.172515
H5C H -0.217487 0.70329 0.147529
C6A C -0.345469 0.79494 0.188206
H6C H -0.397398 0.829446 0.134236
H6D H -0.333583 0.834886 0.213074
H6E H -0.397269 0.753323 0.227325
C7A C -0.129501 0.807513 0.107587
H7C H -0.194961 0.848972 0.060928
H7D H -0.050097 0.775355 0.085542
H7E H -0.096046 0.840282 0.133615
P1B P 0.111338 0.795952 0.408591
C1B C 0.150414 0.89946 0.32856
B2B B 0.316808 0.901066 0.288764
H2B H 0.410522 0.84413 0.31348
B3B B 0.238055 0.964806 0.347843
H3B H 0.280288 0.94976 0.411686
B4B B 0.05564 1.00114 0.324504
H4B H -0.022502 1.00988 0.373157
B5B B 0.021411 0.961121 0.250677
H5B H -0.079617 0.943598 0.250471
B6B B 0.182154 0.898969 0.228649
H6B H 0.187207 0.840404 0.213944
B7B B 0.292367 0.971625 0.17954
H7B H 0.371128 0.961846 0.13154
B8B B 0.325886 1.01273 0.253297
H8B H 0.426666 1.03032 0.254011
B9B B 0.164819 1.07428 0.275323
H9B H 0.158907 1.13255 0.290685
B10B B 0.030934 1.07152 0.215419
H10B H -0.06365 1.12789 0.191176
B11B B 0.109686 1.00827 0.155825
H11B H 0.067692 1.0226 0.092136
B12B B 0.198057 1.07894 0.170974
H12B H 0.214213 1.14037 0.117069
C2B C 0.004552 0.82387 0.491962
H2D H -0.079628 0.870668 0.461608
C3B C -0.051153 0.745205 0.553948
H3F H -0.127907 0.765902 0.586203
H3G H 0.024015 0.701426 0.593169
H3H H -0.085097 0.718112 0.522011
C4B C 0.067062 0.862256 0.541519
H4F H -0.005815 0.884391 0.574919
H4G H 0.105676 0.91093 0.501815
H4H H 0.141495 0.816116 0.579671
C5B C 0.280826 0.716911 0.452923
H5D H 0.335048 0.7106 0.403239
C6B C 0.37633 0.74101 0.499918
H6F H 0.466634 0.697417 0.512384
H6G H 0.333004 0.741193 0.553143
H6H H 0.390396 0.799823 0.464264
C7B C 0.258194 0.624848 0.509015
H7F H 0.348042 0.580863 0.520455
H7G H 0.195136 0.610119 0.479604
H7H H 0.216976 0.624867 0.562746
LI1 Li 0.636673 0.229783 0.153362
O1T O 0.765813 0.300233 0.146187
C1T C 0.867727 0.325663 0.082187
H1A H 0.824937 0.378522 0.031594
H1B H 0.913785 0.276914 0.064708
C2T C 0.969519 0.345631 0.127092
H2E H 1.00882 0.394594 0.086844
H2F H 1.04705 0.292863 0.153771
C3T C 0.884328 0.37175 0.193859
H3I H 0.822126 0.43196 0.16906
H3J H 0.943721 0.367003 0.239355
C4T C 0.803854 0.300505 0.224439
H4I H 0.863199 0.242422 0.260975
H4J H 0.720169 0.315772 0.256176
O1D O 0.764042 0.303276 0.139887
C1D C 0.882711 0.319295 0.086256
H1C H 0.852749 0.346214 0.025857
H1D H 0.952604 0.262678 0.096922
C2D C 0.947077 0.380789 0.104857
H2G H 0.891892 0.442968 0.08007
H2H H 1.04522 0.377001 0.0866
C3D C 0.934665 0.337793 0.200826
H3K H 1.00248 0.279664 0.225934
H3L H 0.946768 0.376285 0.228143
C4D C 0.785735 0.328453 0.206989
H4K H 0.771156 0.282725 0.262967
H4L H 0.719203 0.385194 0.200336
O2T O 0.693705 0.150101 0.098185
C5T C 0.744476 0.180192 0.012879
H5E H 0.84753 0.160008 0.013404
H5F H 0.718011 0.24559 -0.014578
C6T C 0.681445 0.143105 -0.034422
H6I H 0.606557 0.189275 -0.073558
H6J H 0.75293 0.118782 -0.067888
C7T C 0.623698 0.072178 0.030766
H7I H 0.660381 0.015588 0.024391
H7J H 0.520495 0.08794 0.026718
C8T C 0.671907 0.065633 0.11391
H8C H 0.600227 0.050986 0.157703
H8D H 0.759719 0.019077 0.133932
O2D O 0.675141 0.151911 0.09554
C5D C 0.749119 0.183246 0.017732
H5G H 0.847156 0.179256 0.029172
H5H H 0.703531 0.245305 -0.018613
C6D C 0.741971 0.123066 -0.022988
H6K H 0.673895 0.154001 -0.071009
H6L H 0.834507 0.10365 -0.045058
C7D C 0.698459 0.046523 0.041323
H7K H 0.778704 -0.005958 0.05937
H7L H 0.624492 0.033064 0.01769
C8D C 0.644699 0.06851 0.115185
H8E H 0.542999 0.073441 0.121109
H8F H 0.692737 0.022896 0.168496
O3T O 0.576629 0.170951 0.266404
C9T C 0.665292 0.09449 0.329822
H9C H 0.737719 0.112103 0.350247
H9D H 0.712192 0.051263 0.305567
C10T C 0.573695 0.054307 0.40181
H10C H 0.532756 0.012122 0.392156
H10D H 0.625358 0.024091 0.456799
C11T C 0.46435 0.135259 0.397854
H11C H 0.494113 0.162612 0.431747
H11D H 0.37477 0.120133 0.419959
C12T C 0.449241 0.197079 0.305434
H12C H 0.368913 0.192315 0.279136
H12D H 0.43422 0.258984 0.29883
O3D O 0.591159 0.1718 0.270352
C9D C 0.657962 0.081366 0.323199
H9E H 0.760815 0.071272 0.323552
H9F H 0.632558 0.039418 0.304723
C10D C 0.59836 0.073835 0.408684
H10E H 0.654857 0.093948 0.437722
H10F H 0.59668 0.011858 0.445066
C11D C 0.451984 0.132495 0.390848
H11E H 0.386925 0.105584 0.375919
H11F H 0.414748 0.14864 0.438831
C12D C 0.483789 0.209622 0.315688
H12E H 0.399514 0.244497 0.279182
H12F H 0.517082 0.248752 0.33455
O4D O 0.462211 0.312228 0.103164
C13T C 0.457722 0.403032 0.056036
H13A H 0.54126 0.41025 0.02035
H13B H 0.453177 0.433428 0.094427
C14T C 0.326454 0.439799 0.001366
H14A H 0.334306 0.491839 -0.051068
H14B H 0.243286 0.456524 0.032763
C15T C 0.320058 0.361352 -0.018686
H15A H 0.22536 0.367184 -0.037544
H15B H 0.388524 0.354029 -0.062105
C16T C 0.358978 0.285666 0.068864
H16A H 0.276215 0.279959 0.10546
H16B H 0.400442 0.228792 0.063781
O4T O 0.476234 0.309863 0.085191
C13D C 0.430806 0.397974 0.033763
H13C H 0.509996 0.425448 0.010546
H13D H 0.368477 0.430766 0.064337
C14D C 0.351509 0.394203 -0.036121
H14C H 0.265812 0.442851 -0.054652
H14D H 0.41084 0.396322 -0.085871
C15D C 0.317614 0.305509 0.009413
H15C H 0.372008 0.263545 -0.014521
H15D H 0.217072 0.311545 0.002249
C16D C 0.354477 0.271054 0.10356
H16C H 0.281299 0.296522 0.135433
H16D H 0.379994 0.205712 0.132139

#END
####################################################################### 
# 
# This file contains crystal structure data downloaded from the 
# Cambridge Structural Database (CSD) hosted by the Cambridge 
# Crystallographic Data Centre (CCDC).
# 
# Full information about CCDC data access policies and citation 
# guidelines are available at http://www.ccdc.cam.ac.uk/access/V1 
# 
# Audit and citation data items may have been added by the CCDC. 
# Please retain this information to preserve the provenance of 
# this file and to allow appropriate attribution of the data. 
# 
#######################################################################

data_vL139JE_0m
_database_code_depnum_ccdc_archive 'CCDC 1405960'
_audit_update_record             
;
2015-06-09 deposited with the CCDC.
2015-12-04 downloaded from the CCDC.
;
_symmetry_cell_setting           triclinic
_symmetry_space_group_name_H-M   'P -1'
_symmetry_Int_Tables_number      2
loop_
_symmetry_equiv_pos_site_id
_symmetry_equiv_pos_as_xyz
1 x,y,z
2 -x,-y,-z
_cell_length_a                   8.5563(3)
_cell_length_b                   14.8524(5)
_cell_length_c                   18.6442(6)
_cell_angle_alpha                80.7720(4)
_cell_angle_beta                 80.2282(4)
_cell_angle_gamma                81.5074(4)
_cell_volume                     2287
loop_
_atom_site_label
_atom_site_type_symbol
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
RH1 Rh 0.154279 0.218482 0.380795
C1 C 0.17287 0.093737 0.42568
O1 O 0.165803 0.02056 0.454071
C2 C 0.042228 0.338837 0.358961
O2 O -0.039102 0.406313 0.355038
P1A P 0.133446 0.172238 0.268168
B2A B 0.154438 0.27542 0.110066
H2A H 0.071411 0.233662 0.093317
B3A B 0.363319 0.245185 0.128029
H3A H 0.445871 0.179445 0.125453
B4A B 0.327758 0.327316 0.194825
H4A H 0.382071 0.326597 0.245535
B5A B 0.120181 0.358572 0.176574
H5A H 0.00917 0.38327 0.212925
B6A B 0.145179 0.397507 0.079367
H6A H 0.041455 0.434671 0.052805
B7A B 0.31847 0.317772 0.044773
H7A H 0.353214 0.291487 -0.009485
B8A B 0.440878 0.354869 0.10516
H8A H 0.572432 0.358303 0.099126
B9A B 0.267939 0.434676 0.139272
H9A H 0.262108 0.501695 0.160474
B10A B 0.329589 0.43 0.048552
H10A H 0.349318 0.467124 -0.00884
C2A C 0.25384 0.059638 0.256898
H2C H 0.204642 0.014207 0.296679
C3A C 0.425836 0.058453 0.271048
H3C H 0.479399 -0.00481 0.274754
H3D H 0.423973 0.082823 0.317059
H3E H 0.483894 0.096589 0.230362
C4A C 0.249937 0.024137 0.184261
H4C H 0.294512 0.067169 0.143002
H4D H 0.139257 0.018973 0.179746
H4E H 0.313555 -0.036363 0.183725
C5A C -0.06941 0.153645 0.255574
H5C H -0.059598 0.128826 0.208003
C6A C -0.13097 0.080334 0.317437
H6C H -0.134086 0.101019 0.365058
H6D H -0.059411 0.022587 0.315044
H6E H -0.238737 0.070568 0.311727
C7A C -0.191501 0.240022 0.252922
H7C H -0.296902 0.223206 0.250648
H7D H -0.15925 0.283338 0.209282
H7E H -0.196552 0.268847 0.297139
C1A C 0.206731 0.25436 0.191064
P1B P 0.212971 0.266947 0.48645
C1B C 0.045364 0.263598 0.559682
B2B B -0.138568 0.262412 0.547579
H2B H -0.171536 0.267061 0.491359
B3B B -0.072123 0.34881 0.592114
H3B H -0.052701 0.421959 0.571352
B4B B 0.045404 0.256837 0.647017
H4B H 0.158019 0.256847 0.670096
B5B B -0.023237 0.170244 0.601321
H5B H 0.035271 0.101153 0.587895
B6B B -0.236514 0.191111 0.624682
H6B H -0.3133 0.140347 0.61556
B7B B -0.271379 0.316903 0.6179
H7B H -0.376298 0.366966 0.603243
B8B B -0.142135 0.313327 0.688323
H8B H -0.143516 0.360264 0.729889
B9B B -0.106392 0.186823 0.694656
H9B H -0.078458 0.132523 0.741365
B10B B -0.293115 0.246354 0.699847
H10B H -0.398958 0.240681 0.744092
C2B C 0.394084 0.202043 0.521602
H2D H 0.433246 0.242332 0.551095
C3B C 0.371004 0.11079 0.57091
H3F H 0.331421 0.069683 0.543828
H3G H 0.293407 0.121993 0.614642
H3H H 0.473394 0.082218 0.585858
C4B C 0.526262 0.184901 0.456466
H4F H 0.626524 0.159352 0.474914
H4G H 0.540804 0.243068 0.424381
H4H H 0.495659 0.141362 0.428607
C5B C 0.250008 0.389035 0.468708
H5D H 0.145451 0.425706 0.460045
C6B C 0.298621 0.424329 0.533543
H6F H 0.408176 0.39766 0.539619
H6G H 0.2259 0.406422 0.578485
H6H H 0.292884 0.491481 0.523998
C7B C 0.367824 0.411871 0.398491
H7F H 0.358029 0.478606 0.383851
H7G H 0.343547 0.382268 0.359028
H7H H 0.477123 0.389321 0.40776
LI1 Li 0.546089 0.430875 -0.077567
O1T O 0.413365 0.435494 -0.150597
C1T C 0.241445 0.447507 -0.140306
H1A H 0.197779 0.411783 -0.093572
H1B H 0.198859 0.513144 -0.139799
C2T C 0.199248 0.412088 -0.205371
H2E H 0.195978 0.344832 -0.195402
H2F H 0.09453 0.442802 -0.217767
C3T C 0.33337 0.436307 -0.266545
H3I H 0.373417 0.38368 -0.294002
H3J H 0.296209 0.489751 -0.301236
C4T C 0.463923 0.459407 -0.228478
H4I H 0.475776 0.525674 -0.240427
H4J H 0.567611 0.423512 -0.244284
O2T O 0.706044 0.332259 -0.063994
C5T C 0.855334 0.333481 -0.03745
H5E H 0.914773 0.382411 -0.067316
H5F H 0.83518 0.344642 0.014456
C6T C 0.949085 0.239849 -0.044557
H6I H 1.06528 0.24392 -0.05664
H6J H 0.928328 0.196566 0.001241
C7T C 0.885644 0.210722 -0.107264
H7I H 0.900239 0.142988 -0.104895
H7J H 0.938611 0.238279 -0.155501
C8T C 0.710916 0.24804 -0.09399
H8C H 0.64968 0.203955 -0.058827
H8D H 0.66552 0.260192 -0.140538
C1S C 0.6444 0.858366 0.118052
H1S H 0.590967 0.805142 0.125804
C2S C 0.711244 0.880651 0.174271
H2S H 0.703308 0.842827 0.220617
C3S C 0.789564 0.95769 0.163386
H3S H 0.83566 0.972825 0.202119
C4S C 0.800606 1.01215 0.096697
H4S H 0.854598 1.06515 0.089091
C5S C 0.732887 0.990127 0.039869
H5S H 0.74041 1.02819 -0.006368
C6S C 0.654887 0.913007 0.050767
H6S H 0.608727 0.897697 0.012121

#END
