#------------------------------------------------------------------------------ #$Date: 2019-11-07 22:54:29 +0200 (Thu, 07 Nov 2019) $ #$Revision: 223889 $ #$URL: file:///home/coder/svn-repositories/cod/cif/7/70/05/7700513.cif $ #------------------------------------------------------------------------------ # # This file is available in the Crystallography Open Database (COD), # http://www.crystallography.net/ # # All data on this site have been placed in the public domain by the # contributors. # data_7700513 loop_ _publ_author_name 'Wolf, Silke' 'Feldmann, Claus' _publ_section_title ; Ionic-liquid-based synthesis of tellurium-rhenium carbonyls with specific reaction control. ; _journal_issue 41 _journal_name_full 'Dalton transactions (Cambridge, England : 2003)' _journal_page_first 15521 _journal_page_last 15528 _journal_paper_doi 10.1039/c9dt01897b _journal_volume 48 _journal_year 2019 _chemical_formula_sum 'C5 Al Cl4 I2 O5 Re Te' _chemical_formula_weight 876.43 _space_group_crystal_system monoclinic _space_group_IT_number 14 _space_group_name_Hall '-P 2ybc' _space_group_name_H-M_alt 'P 1 21/c 1' _symmetry_space_group_name_Hall '-P 2ybc' _symmetry_space_group_name_H-M 'P 1 21/c 1' _audit_creation_method SHELXL-2013 _audit_update_record ; 2019-06-28 deposited with the CCDC. 2019-07-10 downloaded from the CCDC. ; _cell_angle_alpha 90 _cell_angle_beta 108.09(3) _cell_angle_gamma 90 _cell_formula_units_Z 8 _cell_length_a 16.348(3) _cell_length_b 17.287(3) _cell_length_c 13.863(3) _cell_measurement_reflns_used 28782 _cell_measurement_temperature 200(2) _cell_measurement_theta_max 58.82 _cell_measurement_theta_min 3.53 _cell_volume 3724.1(14) _computing_cell_refinement ; X-Area Recipe 1.33.0.0 (STOE, 2015) PLATON (A.L.Spek, 2009) ; _computing_data_collection 'X-Area 1.31.127.0 (STOE, 2016)' _computing_molecular_graphics 'Diamond 4' _computing_publication_material ; STOE & Cie GmbH, X-Area, software package for collecting single-crystal or multi-domain crystal data on STOE area-detector diffractometers, for image processing, for the correction and scaling of reflection intensities and for outlier rejection, version 1.77, Darmstadt 2016 MS Word (Microsoft) Diamond 4 ; _computing_structure_refinement 'SHELXL-2013 (Sheldrick, 2013)' _computing_structure_solution 'SHELXS-2013 (Sheldrick, 2013)' _diffrn_ambient_temperature 200(2) _diffrn_detector_area_resol_mean 'image plate' _diffrn_measured_fraction_theta_full 0.998 _diffrn_measured_fraction_theta_max 0.986 _diffrn_measurement_device_type graphite _diffrn_measurement_method 'STOE IPDS II' _diffrn_radiation_type MoK\a _diffrn_radiation_wavelength 0.71073 _diffrn_reflns_av_R_equivalents 0.1486 _diffrn_reflns_av_unetI/netI 0.2095 _diffrn_reflns_Laue_measured_fraction_full 0.998 _diffrn_reflns_Laue_measured_fraction_max 0.986 _diffrn_reflns_limit_h_max 22 _diffrn_reflns_limit_h_min -22 _diffrn_reflns_limit_k_max 21 _diffrn_reflns_limit_k_min -23 _diffrn_reflns_limit_l_max 19 _diffrn_reflns_limit_l_min -18 _diffrn_reflns_number 17854 _diffrn_reflns_point_group_measured_fraction_full 0.998 _diffrn_reflns_point_group_measured_fraction_max 0.986 _diffrn_reflns_theta_full 25.242 _diffrn_reflns_theta_max 29.336 _diffrn_reflns_theta_min 1.943 _diffrn_source 'fine-focus sealed tube' _exptl_absorpt_coefficient_mu 12.004 _exptl_absorpt_correction_T_max 0.2457 _exptl_absorpt_correction_T_min 0.1319 _exptl_absorpt_correction_type numerical _exptl_absorpt_process_details '(X-RED, Data Reduction Program, Version 1.14, Stoe & Cie GmbH, Darmstadt 1999.; X-SHAPE, Crystal Optimisation for Numerical Absorption Correction, Version 1.06, Stoe & Cie GmbH, Darmstadt 1999.)' _exptl_crystal_colour red _exptl_crystal_density_diffrn 3.126 _exptl_crystal_description prism _exptl_crystal_F_000 3072 _exptl_crystal_size_max 0.120 _exptl_crystal_size_mid 0.095 _exptl_crystal_size_min 0.070 _refine_diff_density_max 2.944 _refine_diff_density_min -1.502 _refine_diff_density_rms 0.285 _refine_ls_extinction_method none _refine_ls_goodness_of_fit_ref 0.728 _refine_ls_hydrogen_treatment undef _refine_ls_matrix_type full _refine_ls_number_parameters 343 _refine_ls_number_reflns 10084 _refine_ls_number_restraints 0 _refine_ls_restrained_S_all 0.728 _refine_ls_R_factor_all 0.1454 _refine_ls_R_factor_gt 0.0485 _refine_ls_shift/su_max 0.000 _refine_ls_shift/su_mean 0.000 _refine_ls_structure_factor_coef Fsqd _refine_ls_weighting_details ; w=1/[\s^2^(Fo^2^)+(0.0237P)^2^] where P=(Fo^2^+2Fc^2^)/3 ; _refine_ls_weighting_scheme calc _refine_ls_wR_factor_gt 0.0798 _refine_ls_wR_factor_ref 0.0964 _reflns_Friedel_coverage 0.000 _reflns_number_gt 4080 _reflns_number_total 10084 _reflns_threshold_expression 'I > 2\s(I)' _cod_data_source_file c9dt01897b2.cif _cod_data_source_block '[Re(CO)5TeI2][AlCl4]' _cod_depositor_comments 'Adding full bibliography for 7700512--7700515.cif.' _cod_database_code 7700513 _shelx_space_group_comment ; The symmetry employed for this shelxl refinement is uniquely defined by the following loop, which should always be used as a source of symmetry information in preference to the above space-group names. They are only intended as comments. ; _shelxl_version_number 2013-2 _shelx_res_file ; TITL p21c in P2(1)/c New: P21/c CELL 0.71073 16.3480 17.2870 13.8630 90.000 108.090 90.000 ZERR 8 0.0030 0.0030 0.0030 0.000 0.030 0.000 LATT 1 SYMM - X , 0.50000 + Y , 0.50000 - Z SFAC C Al Cl I O Re Te UNIT 40 8 32 16 40 8 8 L.S. 10 FMAP 2 PLAN 20 ACTA WGHT 0.023700 FVAR 0.02102 RE1 6 0.306153 0.112695 0.044893 11.00000 0.02478 0.02430 = 0.02866 0.00000 0.00901 -0.00183 I1 4 0.142652 0.161179 -0.249421 11.00000 0.03824 0.03481 = 0.02864 -0.00055 0.01270 -0.00001 I2 4 0.135439 0.305755 -0.023438 11.00000 0.05156 0.02872 = 0.03923 -0.00359 0.01379 0.00137 TE1 7 0.137321 0.150621 -0.056331 11.00000 0.02504 0.02481 = 0.02726 -0.00034 0.01018 -0.00143 O1 5 0.305475 0.205098 0.237103 11.00000 0.06839 0.09323 = 0.04459 -0.03773 0.01191 0.01829 O2 5 0.246213 -0.028518 0.144843 11.00000 0.05909 0.04248 = 0.05413 0.01973 0.02198 0.00246 O3 5 0.317259 0.002191 -0.130268 11.00000 0.05871 0.06561 = 0.06198 -0.02481 0.02330 0.00249 O4 5 0.359038 0.262075 -0.051476 11.00000 0.07015 0.05569 = 0.05084 0.01450 0.00805 -0.03785 O5 5 0.498841 0.078173 0.150121 11.00000 0.03093 0.05123 = 0.05645 0.00065 0.00644 0.00614 C1 1 0.306861 0.174216 0.167632 11.00000 0.03541 0.02345 = 0.03839 0.00142 0.00012 0.00614 C2 1 0.267956 0.020873 0.108930 11.00000 0.03184 0.03628 = 0.03199 -0.00523 0.00662 0.00932 C3 1 0.311175 0.042713 -0.072955 11.00000 0.02127 0.04705 = 0.04499 0.01537 0.01633 0.00417 C4 1 0.343839 0.205666 -0.018119 11.00000 0.02492 0.05224 = 0.03419 0.00575 -0.00101 -0.00351 C5 1 0.427140 0.089447 0.114696 11.00000 0.04072 0.03731 = 0.02614 0.01771 0.00185 -0.00990 RE2 6 0.700017 0.149553 0.497339 11.00000 0.02495 0.03318 = 0.04165 -0.00282 0.00994 0.00521 I3 4 0.906207 0.033462 0.699910 11.00000 0.04153 0.05309 = 0.03926 0.01562 0.01391 0.01314 I4 4 0.876282 0.021616 0.398245 11.00000 0.04179 0.05947 = 0.04029 -0.01227 0.01053 0.01554 TE2 7 0.875162 0.130332 0.540306 11.00000 0.02583 0.02533 = 0.03467 0.00071 0.00868 0.00244 O6 5 0.679390 0.130463 0.264255 11.00000 0.05304 0.09739 = 0.03878 -0.01703 -0.00339 0.03557 O7 5 0.683028 -0.028592 0.541475 11.00000 0.08617 0.03834 = 0.08510 -0.00103 0.04370 -0.00920 O8 5 0.725161 0.180440 0.726248 11.00000 0.05272 0.05566 = 0.04183 -0.00560 0.02722 0.00535 O9 5 0.715681 0.328235 0.476136 11.00000 0.06692 0.03164 = 0.10287 0.00263 0.00604 0.00866 O10 5 0.500974 0.158461 0.441295 11.00000 0.03356 0.08734 = 0.08198 0.01072 0.01294 0.01546 C6 1 0.689020 0.134951 0.352170 11.00000 0.06939 0.03587 = 0.05376 -0.03282 0.01726 -0.00118 C7 1 0.687183 0.034379 0.519749 11.00000 0.03128 0.05222 = 0.06594 0.00417 0.01403 -0.00476 C8 1 0.716130 0.167262 0.644695 11.00000 0.04283 0.02573 = 0.03414 -0.00045 -0.00108 -0.00834 C9 1 0.709185 0.262539 0.481868 11.00000 0.01894 0.06215 = 0.04679 0.00919 0.00233 0.02089 C10 1 0.576594 0.156301 0.462139 11.00000 0.02892 0.05850 = 0.06786 -0.01241 -0.00817 0.00343 CL1 3 0.089768 0.722185 0.289305 11.00000 0.01657 0.00737 = 0.02627 0.00038 0.00392 -0.00344 CL2 3 0.089813 0.688866 0.551596 11.00000 0.03625 0.04216 = 0.03367 -0.00041 0.01296 -0.00026 CL3 3 -0.086266 0.624967 0.347465 11.00000 0.02927 0.04261 = 0.03525 -0.00482 0.01147 -0.00271 CL4 3 0.112659 0.534324 0.394308 11.00000 0.05241 0.02983 = 0.07464 -0.00350 0.00210 0.01262 AL1 2 0.051376 0.641734 0.399342 11.00000 0.03039 0.02396 = 0.02615 -0.00252 0.00719 -0.00097 CL5 3 0.517630 0.388138 0.402705 11.00000 0.05529 0.07373 = 0.04332 0.00836 0.01222 0.01452 CL6 3 0.347786 0.390679 0.178902 11.00000 0.03500 0.09264 = 0.06458 0.00543 0.00729 0.00673 CL7 3 0.546201 0.461871 0.176428 11.00000 0.05717 0.05346 = 0.06377 -0.00991 0.03343 -0.01494 CL8 3 0.518227 0.264865 0.205853 11.00000 0.05413 0.04002 = 0.10477 -0.01623 0.02358 -0.00411 AL2 2 0.482192 0.376531 0.242380 11.00000 0.03229 0.03672 = 0.04423 -0.00040 0.01235 0.00095 HKLF 4 REM p21c in P2(1)/c New: P21/c REM R1 = 0.0485 for 4080 Fo > 4sig(Fo) and 0.1454 for all 10084 data REM 343 parameters refined using 0 restraints END WGHT 0.0238 0.0000 REM Highest difference peak 2.944, deepest hole -1.502, 1-sigma level 0.285 Q1 1 0.1002 0.7386 0.2710 11.00000 0.05 2.94 Q2 1 0.0678 0.7398 0.3027 11.00000 0.05 2.92 Q3 1 0.0919 0.7213 0.3283 11.00000 0.05 2.77 Q4 1 0.0750 0.7118 0.2569 11.00000 0.05 2.74 Q5 1 0.1082 0.7024 0.3032 11.00000 0.05 2.62 Q6 1 0.8984 0.0676 0.3983 11.00000 0.05 1.60 Q7 1 0.3624 0.1677 0.0796 11.00000 0.05 1.13 Q8 1 0.2261 0.2674 0.0131 11.00000 0.05 1.09 Q9 1 0.2240 0.0363 0.0057 11.00000 0.05 1.07 Q10 1 0.3776 0.0409 0.0846 11.00000 0.05 1.07 Q11 1 0.3501 0.1118 0.1228 11.00000 0.05 1.07 Q12 1 0.1576 0.2058 -0.3064 11.00000 0.05 1.06 Q13 1 0.3668 0.1110 0.0081 11.00000 0.05 1.05 Q14 1 0.6194 0.2131 0.4656 11.00000 0.05 1.04 Q15 1 0.1993 0.1596 -0.2917 11.00000 0.05 1.02 Q16 1 0.1865 0.1442 -0.2879 11.00000 0.05 1.00 Q17 1 0.1717 0.1180 -0.0399 11.00000 0.05 0.96 Q18 1 0.6652 0.0718 0.4018 11.00000 0.05 0.96 Q19 1 0.7796 0.1590 0.6798 11.00000 0.05 0.96 Q20 1 0.2515 0.0505 0.0164 11.00000 0.05 0.95 ; _shelx_res_checksum 16044 loop_ _space_group_symop_operation_xyz 'x, y, z' '-x, y+1/2, -z+1/2' '-x, -y, -z' 'x, -y-1/2, z-1/2' loop_ _atom_site_label _atom_site_type_symbol _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_U_iso_or_equiv _atom_site_adp_type _atom_site_occupancy _atom_site_site_symmetry_order _atom_site_calc_flag Re1 Re 0.30615(4) 0.11269(4) 0.04489(5) 0.02575(13) Uani 1 1 d I1 I 0.14265(7) 0.16118(6) -0.24942(7) 0.0334(2) Uani 1 1 d I2 I 0.13544(8) 0.30576(6) -0.02344(8) 0.0399(3) Uani 1 1 d Te1 Te 0.13732(6) 0.15062(6) -0.05633(7) 0.0252(2) Uani 1 1 d O1 O 0.3055(9) 0.2051(9) 0.2371(10) 0.070(4) Uani 1 1 d O2 O 0.2462(8) -0.0285(7) 0.1448(9) 0.051(3) Uani 1 1 d O3 O 0.3173(9) 0.0022(8) -0.1303(11) 0.061(4) Uani 1 1 d O4 O 0.3590(9) 0.2621(7) -0.0515(10) 0.061(4) Uani 1 1 d O5 O 0.4988(8) 0.0782(7) 0.1501(10) 0.048(3) Uani 1 1 d C1 C 0.3069(11) 0.1742(8) 0.1676(12) 0.035(4) Uani 1 1 d C2 C 0.2680(10) 0.0209(10) 0.1089(12) 0.034(4) Uani 1 1 d C3 C 0.3112(10) 0.0427(10) -0.0730(13) 0.036(4) Uani 1 1 d C4 C 0.3438(11) 0.2057(10) -0.0181(12) 0.039(4) Uani 1 1 d C5 C 0.4271(11) 0.0894(9) 0.1147(11) 0.037(4) Uani 1 1 d Re2 Re 0.70002(4) 0.14955(4) 0.49734(5) 0.03335(15) Uani 1 1 d I3 I 0.90621(8) 0.03346(7) 0.69991(9) 0.0443(3) Uani 1 1 d I4 I 0.87628(8) 0.02162(7) 0.39824(9) 0.0477(3) Uani 1 1 d Te2 Te 0.87516(6) 0.13033(5) 0.54031(8) 0.0288(2) Uani 1 1 d O6 O 0.6794(8) 0.1305(9) 0.2643(9) 0.067(4) Uani 1 1 d O7 O 0.6830(10) -0.0286(8) 0.5415(12) 0.066(4) Uani 1 1 d O8 O 0.7252(8) 0.1804(7) 0.7262(9) 0.047(3) Uani 1 1 d O9 O 0.7157(10) 0.3282(7) 0.4761(13) 0.072(4) Uani 1 1 d O10 O 0.5010(8) 0.1585(9) 0.4413(11) 0.069(4) Uani 1 1 d C6 C 0.6890(13) 0.1350(10) 0.3522(15) 0.053(5) Uani 1 1 d C7 C 0.6872(11) 0.0344(12) 0.5197(15) 0.050(5) Uani 1 1 d C8 C 0.7161(11) 0.1673(9) 0.6447(13) 0.037(4) Uani 1 1 d C9 C 0.7092(10) 0.2625(12) 0.4819(14) 0.044(4) Uani 1 1 d C10 C 0.5766(11) 0.1563(12) 0.4621(15) 0.057(5) Uani 1 1 d Cl1 Cl 0.0898(2) 0.72219(15) 0.2893(3) 0.0174(6) Uani 1 1 d Cl2 Cl 0.0898(3) 0.6889(2) 0.5516(3) 0.0369(9) Uani 1 1 d Cl3 Cl -0.0863(2) 0.6250(2) 0.3475(3) 0.0354(9) Uani 1 1 d Cl4 Cl 0.1127(3) 0.5343(3) 0.3943(4) 0.0563(12) Uani 1 1 d Al1 Al 0.0514(3) 0.6417(2) 0.3993(3) 0.0272(9) Uani 1 1 d Cl5 Cl 0.5176(3) 0.3881(3) 0.4027(3) 0.0582(12) Uani 1 1 d Cl6 Cl 0.3478(3) 0.3907(4) 0.1789(4) 0.0659(14) Uani 1 1 d Cl7 Cl 0.5462(3) 0.4619(3) 0.1764(4) 0.0548(12) Uani 1 1 d Cl8 Cl 0.5182(3) 0.2649(3) 0.2059(5) 0.0666(15) Uani 1 1 d Al2 Al 0.4822(3) 0.3765(3) 0.2424(4) 0.0376(12) Uani 1 1 d loop_ _atom_site_aniso_label _atom_site_aniso_U_11 _atom_site_aniso_U_22 _atom_site_aniso_U_33 _atom_site_aniso_U_23 _atom_site_aniso_U_13 _atom_site_aniso_U_12 Re1 0.0248(3) 0.0243(3) 0.0287(3) 0.0000(3) 0.0090(3) -0.0018(3) I1 0.0382(6) 0.0348(5) 0.0286(5) -0.0006(4) 0.0127(4) 0.0000(5) I2 0.0516(7) 0.0287(5) 0.0392(6) -0.0036(5) 0.0138(5) 0.0014(5) Te1 0.0250(5) 0.0248(5) 0.0273(5) -0.0003(4) 0.0102(4) -0.0014(4) O1 0.068(10) 0.093(11) 0.045(8) -0.038(8) 0.012(7) 0.018(8) O2 0.059(9) 0.042(7) 0.054(8) 0.020(6) 0.022(7) 0.002(6) O3 0.059(9) 0.066(9) 0.062(9) -0.025(7) 0.023(8) 0.002(7) O4 0.070(10) 0.056(8) 0.051(8) 0.015(7) 0.008(7) -0.038(7) O5 0.031(7) 0.051(8) 0.056(8) 0.001(6) 0.006(6) 0.006(6) C1 0.035(10) 0.023(8) 0.038(9) 0.001(7) 0.000(7) 0.006(7) C2 0.032(9) 0.036(9) 0.032(8) -0.005(7) 0.007(7) 0.009(7) C3 0.021(8) 0.047(11) 0.045(10) 0.015(8) 0.016(8) 0.004(7) C4 0.025(9) 0.052(11) 0.034(9) 0.006(8) -0.001(7) -0.004(8) C5 0.041(10) 0.037(9) 0.026(8) 0.018(7) 0.002(7) -0.010(8) Re2 0.0250(3) 0.0332(3) 0.0417(4) -0.0028(3) 0.0099(3) 0.0052(3) I3 0.0415(7) 0.0531(7) 0.0393(6) 0.0156(6) 0.0139(5) 0.0131(6) I4 0.0418(7) 0.0595(7) 0.0403(6) -0.0123(6) 0.0105(5) 0.0155(6) Te2 0.0258(5) 0.0253(5) 0.0347(5) 0.0007(4) 0.0087(4) 0.0024(4) O6 0.053(8) 0.097(12) 0.039(7) -0.017(7) -0.003(6) 0.036(8) O7 0.086(12) 0.038(7) 0.085(10) -0.001(8) 0.044(9) -0.009(8) O8 0.053(8) 0.056(8) 0.042(7) -0.006(6) 0.027(6) 0.005(6) O9 0.067(10) 0.032(7) 0.103(12) 0.003(8) 0.006(9) 0.009(7) O10 0.034(8) 0.087(10) 0.082(10) 0.011(9) 0.013(7) 0.015(8) C6 0.069(14) 0.036(11) 0.054(11) -0.033(9) 0.017(10) -0.001(9) C7 0.031(10) 0.052(12) 0.066(13) 0.004(10) 0.014(9) -0.005(9) C8 0.043(10) 0.026(8) 0.034(9) 0.000(7) -0.001(7) -0.008(7) C9 0.019(8) 0.062(12) 0.047(11) 0.009(9) 0.002(7) 0.021(8) C10 0.029(10) 0.058(12) 0.068(12) -0.012(11) -0.008(9) 0.003(9) Cl1 0.0166(15) 0.0074(12) 0.0263(16) 0.0004(12) 0.0039(12) -0.0034(12) Cl2 0.036(2) 0.042(2) 0.034(2) -0.0004(17) 0.0130(18) -0.0003(18) Cl3 0.0293(19) 0.043(2) 0.035(2) -0.0048(16) 0.0115(16) -0.0027(17) Cl4 0.052(3) 0.030(2) 0.075(3) -0.004(2) 0.002(2) 0.013(2) Al1 0.030(2) 0.024(2) 0.026(2) -0.0025(18) 0.0072(18) -0.0010(19) Cl5 0.055(3) 0.074(3) 0.043(2) 0.008(3) 0.012(2) 0.015(3) Cl6 0.035(2) 0.093(4) 0.065(3) 0.005(3) 0.007(2) 0.007(3) Cl7 0.057(3) 0.053(3) 0.064(3) -0.010(2) 0.033(3) -0.015(2) Cl8 0.054(3) 0.040(3) 0.105(4) -0.016(3) 0.024(3) -0.004(2) Al2 0.032(3) 0.037(3) 0.044(3) 0.000(2) 0.012(2) 0.001(2) loop_ _atom_type_symbol _atom_type_description _atom_type_scat_dispersion_real _atom_type_scat_dispersion_imag _atom_type_scat_source C C 0.0033 0.0016 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4' Al Al 0.0645 0.0514 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4' Cl Cl 0.1484 0.1585 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4' I I -0.4742 1.8119 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4' O O 0.0106 0.0060 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4' Re Re -1.0185 7.2310 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4' Te Te -0.5308 1.6751 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4' loop_ _geom_angle_atom_site_label_1 _geom_angle_atom_site_label_2 _geom_angle_atom_site_label_3 _geom_angle C5 Re1 C1 87.2(7) C5 Re1 C2 91.4(6) C1 Re1 C2 88.0(6) C5 Re1 C4 88.9(6) C1 Re1 C4 91.3(7) C2 Re1 C4 179.2(7) C5 Re1 C3 89.3(7) C1 Re1 C3 175.3(6) C2 Re1 C3 88.9(6) C4 Re1 C3 91.8(6) C5 Re1 Te1 177.8(4) C1 Re1 Te1 92.7(5) C2 Re1 Te1 90.8(5) C4 Re1 Te1 89.0(5) C3 Re1 Te1 90.9(4) I1 Te1 I2 96.00(4) I1 Te1 Re1 100.63(5) I2 Te1 Re1 102.15(4) O1 C1 Re1 176.5(16) O2 C2 Re1 178.7(14) O3 C3 Re1 174.9(15) O4 C4 Re1 173.4(16) O5 C5 Re1 175.5(13) C10 Re2 C9 91.2(8) C10 Re2 C6 89.6(8) C9 Re2 C6 90.1(7) C10 Re2 C8 92.6(8) C9 Re2 C8 88.2(7) C6 Re2 C8 177.3(7) C10 Re2 C7 87.0(8) C9 Re2 C7 176.6(8) C6 Re2 C7 92.8(7) C8 Re2 C7 88.9(7) C10 Re2 Te2 176.0(6) C9 Re2 Te2 91.9(5) C6 Re2 Te2 88.0(6) C8 Re2 Te2 90.0(5) C7 Re2 Te2 89.9(5) I3 Te2 I4 97.06(5) I3 Te2 Re2 99.81(5) I4 Te2 Re2 99.58(5) O6 C6 Re2 175.8(16) O7 C7 Re2 173.8(18) O8 C8 Re2 177.0(14) O9 C9 Re2 177.8(18) O10 C10 Re2 178.3(19) Cl4 Al1 Cl3 109.0(3) Cl4 Al1 Cl2 111.4(3) Cl3 Al1 Cl2 109.4(2) Cl4 Al1 Cl1 106.2(2) Cl3 Al1 Cl1 109.4(2) Cl2 Al1 Cl1 111.3(2) Cl6 Al2 Cl8 109.6(3) Cl6 Al2 Cl5 109.6(3) Cl8 Al2 Cl5 109.2(3) Cl6 Al2 Cl7 108.7(3) Cl8 Al2 Cl7 108.2(3) Cl5 Al2 Cl7 111.5(3) loop_ _geom_bond_atom_site_label_1 _geom_bond_atom_site_label_2 _geom_bond_distance Re1 C5 1.955(18) Re1 C1 2.004(16) Re1 C2 2.010(18) Re1 C4 2.015(17) Re1 C3 2.055(19) Re1 Te1 2.7589(14) I1 Te1 2.7113(14) I2 Te1 2.7221(14) O1 C1 1.108(18) O2 C2 1.101(18) O3 C3 1.087(19) O4 C4 1.139(18) O5 C5 1.138(19) Re2 C10 1.927(18) Re2 C9 1.98(2) Re2 C6 1.980(18) Re2 C8 2.000(17) Re2 C7 2.04(2) Re2 Te2 2.7576(13) I3 Te2 2.6944(15) I4 Te2 2.7264(15) O6 C6 1.18(2) O7 C7 1.14(2) O8 C8 1.117(18) O9 C9 1.15(2) O10 C10 1.18(2) Cl1 Al1 2.291(5) Cl2 Al1 2.166(6) Cl3 Al1 2.159(6) Cl4 Al1 2.121(6) Cl5 Al2 2.125(7) Cl6 Al2 2.112(6) Cl7 Al2 2.168(7) Cl8 Al2 2.125(7)