# Electronic Supplementary Material (ESI) for Dalton Transactions.
# This journal is © The Royal Society of Chemistry 2022

####################################################################### 
# 
# 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_RhcodPPAlMeClAlMe3
_database_code_depnum_ccdc_archive 'CCDC 2184238'
loop_
_audit_author_name
_audit_author_address
'Katarina Paskaruk'
;McMaster University
Canada
;
_audit_update_record             
;
2022-07-05 deposited with the CCDC.	2022-09-14 downloaded from the CCDC.
;
_audit_creation_date             2022-05-12
_audit_creation_method           
;
Olex2 1.3
(compiled 2020.11.12 svn.r5f609507 for OlexSys, GUI svn.r6272)
;
_shelx_SHELXL_version_number     2018/3
_chemical_name_common            ?
_chemical_name_systematic        ?
_chemical_formula_moiety         'C18 H40 Al2 Cl P2 Rh'
_chemical_formula_sum            'C18 H40 Al2 Cl P2 Rh'
_chemical_formula_weight         510.76
_chemical_melting_point          ?
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'
H H 0.0000 0.0000 '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'
P P 0.1023 0.0942 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Rh Rh -1.1178 0.9187 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'

_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.
;
_space_group_crystal_system      monoclinic
_space_group_IT_number           14
_space_group_name_H-M_alt        'P 1 21/c 1'
_space_group_name_Hall           '-P 2ybc'
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'

_cell_length_a                   14.1403(16)
_cell_length_b                   9.6155(11)
_cell_length_c                   18.417(2)
_cell_angle_alpha                90
_cell_angle_beta                 92.833(2)
_cell_angle_gamma                90
_cell_volume                     2501.0(5)
_cell_formula_units_Z            4
_cell_measurement_reflns_used    4072
_cell_measurement_temperature    100.0(1)
_cell_measurement_theta_max      22.51
_cell_measurement_theta_min      2.39
_shelx_estimated_absorpt_T_max   0.971
_shelx_estimated_absorpt_T_min   0.790
_exptl_absorpt_coefficient_mu    0.988
_exptl_absorpt_correction_T_max  0.7457
_exptl_absorpt_correction_T_min  0.6728
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   
;
SADABS-2014/4 (Bruker,2014/4) was used for absorption correction.
wR2(int) was 0.0495 before and 0.0434 after correction.
The Ratio of minimum to maximum transmission is 0.9022.
The λ/2 correction factor is 0.00150.
;
_exptl_absorpt_special_details   ?
_exptl_crystal_colour            'clear light orange'
_exptl_crystal_colour_lustre     clear
_exptl_crystal_colour_modifier   light
_exptl_crystal_colour_primary    orange
_exptl_crystal_density_diffrn    1.356
_exptl_crystal_density_meas      ?
_exptl_crystal_density_method    ?
_exptl_crystal_description       plate
_exptl_crystal_F_000             1064
_exptl_crystal_size_max          0.25
_exptl_crystal_size_mid          0.12
_exptl_crystal_size_min          0.03
_exptl_transmission_factor_max   ?
_exptl_transmission_factor_min   ?
_diffrn_reflns_av_R_equivalents  0.0590
_diffrn_reflns_av_unetI/netI     0.0500
_diffrn_reflns_Laue_measured_fraction_full 1.000
_diffrn_reflns_Laue_measured_fraction_max 0.999
_diffrn_reflns_limit_h_max       18
_diffrn_reflns_limit_h_min       -18
_diffrn_reflns_limit_k_max       12
_diffrn_reflns_limit_k_min       -12
_diffrn_reflns_limit_l_max       24
_diffrn_reflns_limit_l_min       -24
_diffrn_reflns_number            38203
_diffrn_reflns_point_group_measured_fraction_full 1.000
_diffrn_reflns_point_group_measured_fraction_max 0.999
_diffrn_reflns_theta_full        25.242
_diffrn_reflns_theta_max         28.285
_diffrn_reflns_theta_min         1.442
_diffrn_ambient_temperature      100.0
_diffrn_detector_area_resol_mean ?
_diffrn_measured_fraction_theta_full 1.000
_diffrn_measured_fraction_theta_max 0.999
_diffrn_measurement_device_type  'Bruker APEX-II CCD'
_diffrn_measurement_method       'φ and ω scans'
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_source                   ?
_diffrn_source_current           30.0
_diffrn_source_power             1.5
_diffrn_source_voltage           50.0
_diffrn_standards_number         0
_reflns_Friedel_coverage         0.000
_reflns_Friedel_fraction_full    .
_reflns_Friedel_fraction_max     .
_reflns_number_gt                4907
_reflns_number_total             6201
_reflns_special_details          
;
 Reflections were merged by SHELXL according to the crystal
 class for the calculation of statistics and refinement.
 
 _reflns_Friedel_fraction is defined as the number of unique
 Friedel pairs measured divided by the number that would be
 possible theoretically, ignoring centric projections and
 systematic absences.
;
_reflns_threshold_expression     'I > 2σ(I)'
_computing_cell_refinement       'SAINT v8.34A (Bruker, 2013)'
_computing_data_collection       ?
_computing_data_reduction        'SAINT v8.34A (Bruker, 2013)'
_computing_molecular_graphics    'Olex2 1.3 (Dolomanov et al., 2009)'
_computing_publication_material  'Olex2 1.3 (Dolomanov et al., 2009)'
_computing_structure_refinement  'SHELXL 2018/3 (Sheldrick, 2015)'
_computing_structure_solution    'SHELXT 2014/5 (Sheldrick, 2014)'
_refine_diff_density_max         0.555
_refine_diff_density_min         -0.330
_refine_diff_density_rms         0.087
_refine_ls_extinction_coef       .
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.027
_refine_ls_hydrogen_treatment    mixed
_refine_ls_matrix_type           full
_refine_ls_number_parameters     241
_refine_ls_number_reflns         6201
_refine_ls_number_restraints     204
_refine_ls_R_factor_all          0.0480
_refine_ls_R_factor_gt           0.0303
_refine_ls_restrained_S_all      1.011
_refine_ls_shift/su_max          0.002
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details     
'w=1/[σ²(Fo²)+(0.0274P)²+0.5720P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0648
_refine_ls_wR_factor_ref         0.0697
_refine_special_details          ?
_olex2_refinement_description    
;
1. Fixed Uiso
 At 1.2 times of:
  All C(H,H) groups
 At 1.5 times of:
  All C(H,H,H) groups
2. Rigid body (RIGU) restrains
 All non-hydrogen atoms
 with sigma for 1-2 distances of 0.004 and sigma for 1-3 distances of 0.004
3.a Secondary CH2 refined with riding coordinates:
 C2(H2A,H2B), C3(H3A,H3B), C6(H6A,H6B), C7(H7A,H7B), C13(H13A,H13B), C14(H14A,
 H14B)
3.b Idealised Me refined as rotating group:
 C9(H9A,H9B,H9C), C10(H10A,H10B,H10C), C11(H11A,H11B,H11C), C12(H12A,H12B,
 H12C), C15(H15A,H15B,H15C), C16(H16A,H16B,H16C), C17(H17A,H17B,H17C), C18(H18A,
 H18B,H18C)
;
_atom_sites_solution_hydrogens   mixed
_atom_sites_solution_primary     dual
_atom_sites_solution_secondary   ?
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
_atom_site_refinement_flags_posn
_atom_site_refinement_flags_adp
_atom_site_refinement_flags_occupancy
_atom_site_disorder_assembly
_atom_site_disorder_group
Al1 Al 0.35362(5) 0.38890(7) 0.56271(4) 0.01746(15) Uani 1 1 d . . . . .
Al2 Al 0.21094(6) 0.12260(8) 0.43551(4) 0.02776(18) Uani 1 1 d . . . . .
C1 C 0.32078(18) 0.8476(2) 0.77314(12) 0.0196(5) Uani 1 1 d . . . . .
C2 C 0.27164(18) 0.8126(3) 0.84150(12) 0.0216(5) Uani 1 1 d . . . . .
H2A H 0.290537 0.879603 0.878848 0.026 Uiso 1 1 calc R U . . .
H2B H 0.292579 0.721599 0.858310 0.026 Uiso 1 1 calc R U . . .
C3 C 0.16306(18) 0.8123(3) 0.83182(12) 0.0233(5) Uani 1 1 d . . . . .
H3A H 0.137476 0.754503 0.869313 0.028 Uiso 1 1 calc R U . . .
H3B H 0.139936 0.906196 0.838374 0.028 Uiso 1 1 calc R U . . .
C4 C 0.12702(17) 0.7593(3) 0.75812(13) 0.0207(5) Uani 1 1 d . . . . .
C5 C 0.10640(17) 0.8380(3) 0.69687(13) 0.0227(5) Uani 1 1 d . . . . .
C6 C 0.12051(19) 0.9925(3) 0.68859(14) 0.0289(6) Uani 1 1 d . . . . .
H6A H 0.066311 1.040607 0.706900 0.035 Uiso 1 1 calc R U . . .
H6B H 0.123238 1.014374 0.637328 0.035 Uiso 1 1 calc R U . . .
C7 C 0.21015(19) 1.0459(3) 0.72850(14) 0.0290(6) Uani 1 1 d . . . . .
H7A H 0.226917 1.135378 0.708436 0.035 Uiso 1 1 calc R U . . .
H7B H 0.198006 1.059497 0.779394 0.035 Uiso 1 1 calc R U . . .
C8 C 0.29258(19) 0.9464(2) 0.72249(14) 0.0225(5) Uani 1 1 d . . . . .
C9 C 0.47444(17) 0.8227(2) 0.63278(14) 0.0240(5) Uani 1 1 d . . . . .
H9A H 0.481990 0.868817 0.678946 0.036 Uiso 1 1 calc R U . . .
H9B H 0.450120 0.887350 0.596774 0.036 Uiso 1 1 calc R U . . .
H9C H 0.534642 0.788123 0.618971 0.036 Uiso 1 1 calc R U . . .
C10 C 0.45582(18) 0.5649(3) 0.70525(13) 0.0253(6) Uani 1 1 d . . . . .
H10A H 0.515807 0.539899 0.686764 0.038 Uiso 1 1 calc R U . . .
H10B H 0.419469 0.482267 0.712816 0.038 Uiso 1 1 calc R U . . .
H10C H 0.465930 0.613336 0.750544 0.038 Uiso 1 1 calc R U . . .
C11 C 0.05617(18) 0.4982(3) 0.64841(14) 0.0270(6) Uani 1 1 d . . . . .
H11A H 0.015129 0.577658 0.648912 0.041 Uiso 1 1 calc R U . . .
H11B H 0.062055 0.458398 0.696232 0.041 Uiso 1 1 calc R U . . .
H11C H 0.030023 0.430344 0.614841 0.041 Uiso 1 1 calc R U . . .
C12 C 0.14489(17) 0.5957(3) 0.52497(12) 0.0213(5) Uani 1 1 d . . . . .
H12A H 0.116566 0.516750 0.500482 0.032 Uiso 1 1 calc R U . . .
H12B H 0.201968 0.620849 0.502080 0.032 Uiso 1 1 calc R U . . .
H12C H 0.101464 0.672448 0.522348 0.032 Uiso 1 1 calc R U . . .
C13 C 0.40102(17) 0.5843(2) 0.55566(12) 0.0174(5) Uani 1 1 d . . . . .
H13A H 0.466737 0.582750 0.542858 0.021 Uiso 1 1 calc R U . . .
H13B H 0.364804 0.632493 0.517287 0.021 Uiso 1 1 calc R U . . .
C14 C 0.23740(17) 0.3899(2) 0.61904(12) 0.0178(5) Uani 1 1 d . . . . .
H14A H 0.195075 0.318373 0.599347 0.021 Uiso 1 1 calc R U . . .
H14B H 0.254987 0.364269 0.668840 0.021 Uiso 1 1 calc R U . . .
C15 C 0.44835(19) 0.2472(2) 0.59197(14) 0.0268(6) Uani 1 1 d . . . . .
H15A H 0.457265 0.185221 0.552012 0.040 Uiso 1 1 calc R U . . .
H15B H 0.426700 0.195394 0.632512 0.040 Uiso 1 1 calc R U . . .
H15C H 0.507304 0.291758 0.605674 0.040 Uiso 1 1 calc R U . . .
C16 C 0.2823(2) -0.0102(3) 0.49764(16) 0.0367(7) Uani 1 1 d . . . . .
H16A H 0.249801 -0.097874 0.497114 0.055 Uiso 1 1 calc R U . . .
H16B H 0.287756 0.024788 0.546484 0.055 Uiso 1 1 calc R U . . .
H16C H 0.344391 -0.022606 0.479732 0.055 Uiso 1 1 calc R U . . .
C17 C 0.2163(3) 0.0986(3) 0.33008(15) 0.0569(10) Uani 1 1 d . . . . .
H17A H 0.280112 0.112058 0.316052 0.085 Uiso 1 1 calc R U . . .
H17B H 0.175598 0.165589 0.305677 0.085 Uiso 1 1 calc R U . . .
H17C H 0.195683 0.006495 0.316877 0.085 Uiso 1 1 calc R U . . .
C18 C 0.08418(18) 0.1791(3) 0.47165(16) 0.0335(7) Uani 1 1 d . . . . .
H18A H 0.038351 0.107994 0.459680 0.050 Uiso 1 1 calc R U . . .
H18B H 0.064368 0.264913 0.449028 0.050 Uiso 1 1 calc R U . . .
H18C H 0.089487 0.191216 0.523428 0.050 Uiso 1 1 calc R U . . .
Cl1 Cl 0.29996(4) 0.33679(6) 0.44572(3) 0.02097(13) Uani 1 1 d . . . . .
P1 P 0.39153(4) 0.67749(6) 0.63977(3) 0.01539(12) Uani 1 1 d . . . . .
P2 P 0.17283(4) 0.55166(6) 0.62032(3) 0.01666(13) Uani 1 1 d . . . . .
Rh1 Rh 0.24471(2) 0.73561(2) 0.68305(2) 0.01437(6) Uani 1 1 d . . . . .
H4 H 0.0980(18) 0.668(3) 0.7595(13) 0.022(7) Uiso 1 1 d . . . . .
H8 H 0.3321(18) 0.969(3) 0.6899(14) 0.016(6) Uiso 1 1 d . . . . .
H5 H 0.0686(19) 0.801(3) 0.6611(14) 0.024(7) Uiso 1 1 d . . . . .
H1 H 0.3832(19) 0.815(3) 0.7730(14) 0.024(7) Uiso 1 1 d . . . . .


_geom_special_details            
;
 All esds (except the esd in the dihedral angle between two l.s. planes)
 are estimated using the full covariance matrix.  The cell esds are taken
 into account individually in the estimation of esds in distances, angles
 and torsion angles; correlations between esds in cell parameters are only
 used when they are defined by crystal symmetry.  An approximate (isotropic)
 treatment of cell esds is used for estimating esds involving l.s. planes.
;
loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_site_symmetry_2
_geom_bond_publ_flag
Al1 C13 2.001(2) . ?
Al1 C14 1.986(2) . ?
Al1 C15 1.967(2) . ?
Al1 Cl1 2.3038(9) . ?
Al2 C16 1.961(3) . ?
Al2 C17 1.961(3) . ?
Al2 C18 2.017(3) . ?
Al2 Cl1 2.4162(10) . ?
C1 C2 1.506(3) . ?
C1 C8 1.376(3) . ?
C1 Rh1 2.212(2) . ?
C1 H1 0.94(3) . ?
C2 H2A 0.9700 . ?
C2 H2B 0.9700 . ?
C2 C3 1.537(3) . ?
C3 H3A 0.9700 . ?
C3 H3B 0.9700 . ?
C3 C4 1.514(3) . ?
C4 C5 1.378(3) . ?
C4 Rh1 2.227(2) . ?
C4 H4 0.97(3) . ?
C5 C6 1.508(4) . ?
C5 Rh1 2.215(2) . ?
C5 H5 0.90(3) . ?
C6 H6A 0.9700 . ?
C6 H6B 0.9700 . ?
C6 C7 1.523(4) . ?
C7 H7A 0.9700 . ?
C7 H7B 0.9700 . ?
C7 C8 1.517(4) . ?
C8 Rh1 2.246(2) . ?
C8 H8 0.87(3) . ?
C9 H9A 0.9600 . ?
C9 H9B 0.9600 . ?
C9 H9C 0.9600 . ?
C9 P1 1.832(2) . ?
C10 H10A 0.9600 . ?
C10 H10B 0.9600 . ?
C10 H10C 0.9600 . ?
C10 P1 1.829(2) . ?
C11 H11A 0.9600 . ?
C11 H11B 0.9600 . ?
C11 H11C 0.9600 . ?
C11 P2 1.827(3) . ?
C12 H12A 0.9600 . ?
C12 H12B 0.9600 . ?
C12 H12C 0.9600 . ?
C12 P2 1.830(2) . ?
C13 H13A 0.9700 . ?
C13 H13B 0.9700 . ?
C13 P1 1.800(2) . ?
C14 H14A 0.9700 . ?
C14 H14B 0.9700 . ?
C14 P2 1.805(2) . ?
C15 H15A 0.9600 . ?
C15 H15B 0.9600 . ?
C15 H15C 0.9600 . ?
C16 H16A 0.9600 . ?
C16 H16B 0.9600 . ?
C16 H16C 0.9600 . ?
C17 H17A 0.9600 . ?
C17 H17B 0.9600 . ?
C17 H17C 0.9600 . ?
C18 H18A 0.9600 . ?
C18 H18B 0.9600 . ?
C18 H18C 0.9600 . ?
P1 Rh1 2.3283(7) . ?
P2 Rh1 2.3195(6) . ?

loop_
_geom_angle_atom_site_label_1
_geom_angle_atom_site_label_2
_geom_angle_atom_site_label_3
_geom_angle
_geom_angle_site_symmetry_1
_geom_angle_site_symmetry_3
_geom_angle_publ_flag
C13 Al1 Cl1 103.85(7) . . ?
C14 Al1 C13 108.54(10) . . ?
C14 Al1 Cl1 104.28(7) . . ?
C15 Al1 C13 116.26(11) . . ?
C15 Al1 C14 115.46(11) . . ?
C15 Al1 Cl1 107.09(8) . . ?
C16 Al2 C18 115.03(13) . . ?
C16 Al2 Cl1 104.98(9) . . ?
C17 Al2 C16 117.22(15) . . ?
C17 Al2 C18 115.89(15) . . ?
C17 Al2 Cl1 97.58(11) . . ?
C18 Al2 Cl1 102.29(8) . . ?
C2 C1 Rh1 106.91(16) . . ?
C2 C1 H1 113.5(16) . . ?
C8 C1 C2 126.2(2) . . ?
C8 C1 Rh1 73.36(14) . . ?
C8 C1 H1 118.3(16) . . ?
Rh1 C1 H1 104.8(16) . . ?
C1 C2 H2A 108.8 . . ?
C1 C2 H2B 108.8 . . ?
C1 C2 C3 113.78(19) . . ?
H2A C2 H2B 107.7 . . ?
C3 C2 H2A 108.8 . . ?
C3 C2 H2B 108.8 . . ?
C2 C3 H3A 108.9 . . ?
C2 C3 H3B 108.9 . . ?
H3A C3 H3B 107.7 . . ?
C4 C3 C2 113.24(19) . . ?
C4 C3 H3A 108.9 . . ?
C4 C3 H3B 108.9 . . ?
C3 C4 Rh1 111.23(16) . . ?
C3 C4 H4 113.9(15) . . ?
C5 C4 C3 126.7(2) . . ?
C5 C4 Rh1 71.47(14) . . ?
C5 C4 H4 116.5(15) . . ?
Rh1 C4 H4 104.8(15) . . ?
C4 C5 C6 126.9(2) . . ?
C4 C5 Rh1 72.40(14) . . ?
C4 C5 H5 118.2(17) . . ?
C6 C5 Rh1 107.70(17) . . ?
C6 C5 H5 113.2(17) . . ?
Rh1 C5 H5 103.6(17) . . ?
C5 C6 H6A 108.9 . . ?
C5 C6 H6B 108.9 . . ?
C5 C6 C7 113.3(2) . . ?
H6A C6 H6B 107.7 . . ?
C7 C6 H6A 108.9 . . ?
C7 C6 H6B 108.9 . . ?
C6 C7 H7A 109.2 . . ?
C6 C7 H7B 109.2 . . ?
H7A C7 H7B 107.9 . . ?
C8 C7 C6 112.1(2) . . ?
C8 C7 H7A 109.2 . . ?
C8 C7 H7B 109.2 . . ?
C1 C8 C7 125.7(2) . . ?
C1 C8 Rh1 70.69(13) . . ?
C1 C8 H8 117.9(16) . . ?
C7 C8 Rh1 111.90(17) . . ?
C7 C8 H8 114.5(16) . . ?
Rh1 C8 H8 101.4(16) . . ?
H9A C9 H9B 109.5 . . ?
H9A C9 H9C 109.5 . . ?
H9B C9 H9C 109.5 . . ?
P1 C9 H9A 109.5 . . ?
P1 C9 H9B 109.5 . . ?
P1 C9 H9C 109.5 . . ?
H10A C10 H10B 109.5 . . ?
H10A C10 H10C 109.5 . . ?
H10B C10 H10C 109.5 . . ?
P1 C10 H10A 109.5 . . ?
P1 C10 H10B 109.5 . . ?
P1 C10 H10C 109.5 . . ?
H11A C11 H11B 109.5 . . ?
H11A C11 H11C 109.5 . . ?
H11B C11 H11C 109.5 . . ?
P2 C11 H11A 109.5 . . ?
P2 C11 H11B 109.5 . . ?
P2 C11 H11C 109.5 . . ?
H12A C12 H12B 109.5 . . ?
H12A C12 H12C 109.5 . . ?
H12B C12 H12C 109.5 . . ?
P2 C12 H12A 109.5 . . ?
P2 C12 H12B 109.5 . . ?
P2 C12 H12C 109.5 . . ?
Al1 C13 H13A 109.2 . . ?
Al1 C13 H13B 109.2 . . ?
H13A C13 H13B 107.9 . . ?
P1 C13 Al1 111.85(12) . . ?
P1 C13 H13A 109.2 . . ?
P1 C13 H13B 109.2 . . ?
Al1 C14 H14A 108.2 . . ?
Al1 C14 H14B 108.2 . . ?
H14A C14 H14B 107.4 . . ?
P2 C14 Al1 116.30(12) . . ?
P2 C14 H14A 108.2 . . ?
P2 C14 H14B 108.2 . . ?
Al1 C15 H15A 109.5 . . ?
Al1 C15 H15B 109.5 . . ?
Al1 C15 H15C 109.5 . . ?
H15A C15 H15B 109.5 . . ?
H15A C15 H15C 109.5 . . ?
H15B C15 H15C 109.5 . . ?
Al2 C16 H16A 109.5 . . ?
Al2 C16 H16B 109.5 . . ?
Al2 C16 H16C 109.5 . . ?
H16A C16 H16B 109.5 . . ?
H16A C16 H16C 109.5 . . ?
H16B C16 H16C 109.5 . . ?
Al2 C17 H17A 109.5 . . ?
Al2 C17 H17B 109.5 . . ?
Al2 C17 H17C 109.5 . . ?
H17A C17 H17B 109.5 . . ?
H17A C17 H17C 109.5 . . ?
H17B C17 H17C 109.5 . . ?
Al2 C18 H18A 109.5 . . ?
Al2 C18 H18B 109.5 . . ?
Al2 C18 H18C 109.5 . . ?
H18A C18 H18B 109.5 . . ?
H18A C18 H18C 109.5 . . ?
H18B C18 H18C 109.5 . . ?
Al1 Cl1 Al2 113.85(3) . . ?
C9 P1 Rh1 115.19(8) . . ?
C10 P1 C9 101.46(12) . . ?
C10 P1 Rh1 109.81(9) . . ?
C13 P1 C9 104.12(11) . . ?
C13 P1 C10 102.52(11) . . ?
C13 P1 Rh1 121.31(8) . . ?
C11 P2 C12 100.46(12) . . ?
C11 P2 Rh1 116.95(9) . . ?
C12 P2 Rh1 111.72(8) . . ?
C14 P2 C11 103.03(12) . . ?
C14 P2 C12 105.79(11) . . ?
C14 P2 Rh1 117.02(8) . . ?
C1 Rh1 C4 80.52(9) . . ?
C1 Rh1 C5 95.56(10) . . ?
C1 Rh1 C8 35.95(9) . . ?
C1 Rh1 P1 87.99(7) . . ?
C1 Rh1 P2 158.39(7) . . ?
C4 Rh1 C8 85.96(10) . . ?
C4 Rh1 P1 160.61(6) . . ?
C4 Rh1 P2 93.70(7) . . ?
C5 Rh1 C4 36.13(9) . . ?
C5 Rh1 C8 79.37(10) . . ?
C5 Rh1 P1 162.39(7) . . ?
C5 Rh1 P2 91.63(7) . . ?
C8 Rh1 P1 93.88(7) . . ?
C8 Rh1 P2 165.20(7) . . ?
P2 Rh1 P1 91.30(2) . . ?

loop_
_geom_torsion_atom_site_label_1
_geom_torsion_atom_site_label_2
_geom_torsion_atom_site_label_3
_geom_torsion_atom_site_label_4
_geom_torsion
_geom_torsion_site_symmetry_1
_geom_torsion_site_symmetry_2
_geom_torsion_site_symmetry_3
_geom_torsion_site_symmetry_4
_geom_torsion_publ_flag
Al1 C13 P1 C9 160.22(12) . . . . ?
Al1 C13 P1 C10 54.81(15) . . . . ?
Al1 C13 P1 Rh1 -67.97(13) . . . . ?
Al1 C14 P2 C11 161.56(12) . . . . ?
Al1 C14 P2 C12 56.55(15) . . . . ?
Al1 C14 P2 Rh1 -68.62(13) . . . . ?
C1 C2 C3 C4 35.5(3) . . . . ?
C2 C1 C8 C7 4.5(4) . . . . ?
C2 C1 C8 Rh1 -99.1(2) . . . . ?
C2 C3 C4 C5 -92.2(3) . . . . ?
C2 C3 C4 Rh1 -10.0(3) . . . . ?
C3 C4 C5 C6 3.8(4) . . . . ?
C3 C4 C5 Rh1 103.1(2) . . . . ?
C4 C5 C6 C7 37.3(4) . . . . ?
C5 C6 C7 C8 39.5(3) . . . . ?
C6 C7 C8 C1 -96.2(3) . . . . ?
C6 C7 C8 Rh1 -14.8(3) . . . . ?
C8 C1 C2 C3 39.5(3) . . . . ?
Rh1 C1 C2 C3 -41.9(2) . . . . ?
Rh1 C1 C8 C7 103.6(2) . . . . ?
Rh1 C4 C5 C6 -99.2(3) . . . . ?
Rh1 C5 C6 C7 -43.7(2) . . . . ?

_olex2_submission_special_instructions 'No special instructions were received'
####################################################################### 
# 
# 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_RhcodPPAlMeCl
_database_code_depnum_ccdc_archive 'CCDC 2184239'
loop_
_audit_author_name
_audit_author_address
'Katarina Paskaruk'
;McMaster University
Canada
;
_audit_update_record             
;
2022-07-05 deposited with the CCDC.	2022-09-14 downloaded from the CCDC.
;
_audit_creation_date             2022-05-12
_audit_creation_method           
;
Olex2 1.3
(compiled 2020.11.12 svn.r5f609507 for OlexSys, GUI svn.r6272)
;
_shelx_SHELXL_version_number     2018/3
_chemical_name_common            ?
_chemical_name_systematic        ?
_chemical_formula_moiety         'C15 H31 Al Cl P2 Rh'
_chemical_formula_sum            'C15 H31 Al Cl P2 Rh'
_chemical_formula_weight         438.68
_chemical_melting_point          ?
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'
H H 0.0000 0.0000 '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'
P P 0.1023 0.0942 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Rh Rh -1.1178 0.9187 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'

_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.
;
_space_group_crystal_system      monoclinic
_space_group_IT_number           15
_space_group_name_H-M_alt        'C 1 2/c 1'
_space_group_name_Hall           '-C 2yc'
loop_
_space_group_symop_operation_xyz
'x, y, z'
'-x, y, -z+1/2'
'x+1/2, y+1/2, z'
'-x+1/2, y+1/2, -z+1/2'
'-x, -y, -z'
'x, -y, z-1/2'
'-x+1/2, -y+1/2, -z'
'x+1/2, -y+1/2, z-1/2'

_cell_length_a                   23.375(3)
_cell_length_b                   13.7736(18)
_cell_length_c                   11.9571(16)
_cell_angle_alpha                90
_cell_angle_beta                 92.852(2)
_cell_angle_gamma                90
_cell_volume                     3844.9(9)
_cell_formula_units_Z            8
_cell_measurement_reflns_used    9893
_cell_measurement_temperature    100.0(1)
_cell_measurement_theta_max      29.29
_cell_measurement_theta_min      2.39
_shelx_estimated_absorpt_T_max   0.930
_shelx_estimated_absorpt_T_min   0.639
_exptl_absorpt_coefficient_mu    1.229
_exptl_absorpt_correction_T_max  0.7462
_exptl_absorpt_correction_T_min  0.6968
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   
;
SADABS-2014/4 (Bruker,2014/4) was used for absorption correction.
wR2(int) was 0.0510 before and 0.0440 after correction.
The Ratio of minimum to maximum transmission is 0.9338.
The λ/2 correction factor is 0.00150.
;
_exptl_absorpt_special_details   ?
_exptl_crystal_colour            orange
_exptl_crystal_colour_primary    orange
_exptl_crystal_density_diffrn    1.516
_exptl_crystal_density_meas      ?
_exptl_crystal_density_method    ?
_exptl_crystal_description       block
_exptl_crystal_F_000             1808
_exptl_crystal_size_max          0.4
_exptl_crystal_size_mid          0.16
_exptl_crystal_size_min          0.06
_exptl_transmission_factor_max   ?
_exptl_transmission_factor_min   ?
_diffrn_reflns_av_R_equivalents  0.0471
_diffrn_reflns_av_unetI/netI     0.0285
_diffrn_reflns_Laue_measured_fraction_full 0.999
_diffrn_reflns_Laue_measured_fraction_max 0.995
_diffrn_reflns_limit_h_max       34
_diffrn_reflns_limit_h_min       -34
_diffrn_reflns_limit_k_max       20
_diffrn_reflns_limit_k_min       -20
_diffrn_reflns_limit_l_max       17
_diffrn_reflns_limit_l_min       -17
_diffrn_reflns_number            72957
_diffrn_reflns_point_group_measured_fraction_full 0.999
_diffrn_reflns_point_group_measured_fraction_max 0.995
_diffrn_reflns_theta_full        25.242
_diffrn_reflns_theta_max         31.618
_diffrn_reflns_theta_min         1.717
_diffrn_ambient_temperature      100.15
_diffrn_detector_area_resol_mean ?
_diffrn_measured_fraction_theta_full 0.999
_diffrn_measured_fraction_theta_max 0.995
_diffrn_measurement_device_type  'Bruker APEX-II CCD'
_diffrn_measurement_method       'φ and ω scans'
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_source                   ?
_reflns_Friedel_coverage         0.000
_reflns_Friedel_fraction_full    .
_reflns_Friedel_fraction_max     .
_reflns_number_gt                5232
_reflns_number_total             6425
_reflns_special_details          
;
 Reflections were merged by SHELXL according to the crystal
 class for the calculation of statistics and refinement.
 
 _reflns_Friedel_fraction is defined as the number of unique
 Friedel pairs measured divided by the number that would be
 possible theoretically, ignoring centric projections and
 systematic absences.
;
_reflns_threshold_expression     'I > 2σ(I)'
_computing_cell_refinement       'SAINT v8.34A (Bruker, 2013)'
_computing_data_collection       ?
_computing_data_reduction        'SAINT v8.34A (Bruker, 2013)'
_computing_molecular_graphics    'Olex2 1.3 (Dolomanov et al., 2009)'
_computing_publication_material  'Olex2 1.3 (Dolomanov et al., 2009)'
_computing_structure_refinement  'SHELXL 2018/3 (Sheldrick, 2015)'
_computing_structure_solution    'ShelXT (Sheldrick, 2015)'
_refine_diff_density_max         0.959
_refine_diff_density_min         -0.870
_refine_diff_density_rms         0.098
_refine_ls_extinction_coef       .
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.082
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     194
_refine_ls_number_reflns         6425
_refine_ls_number_restraints     2
_refine_ls_R_factor_all          0.0417
_refine_ls_R_factor_gt           0.0292
_refine_ls_restrained_S_all      1.083
_refine_ls_shift/su_max          0.002
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details     
'w=1/[σ²(Fo²)+(0.0263P)²+6.7091P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0649
_refine_ls_wR_factor_ref         0.0685
_refine_special_details          ?
_olex2_refinement_description    
;
1. Fixed Uiso
 At 1.2 times of:
  All C(H) groups, All C(H,H) groups
 At 1.5 times of:
  All C(H,H,H) groups
2. Restrained distances
 Al1-C7A \\sim Al1-C7
 with sigma of 0.02
 Cl1-Al1 \\sim Cl1A-Al1
 with sigma of 0.02
3. Uiso/Uaniso restraints and constraints
Uanis(Cl1) = Uanis(C7A)
Uanis(C7) = Uanis(Cl1A)
4. Others
 Sof(Cl1A)=Sof(C7A)=Sof(H7AA)=Sof(H7AB)=Sof(H7AC)=1-FVAR(1)
 Sof(Cl1)=Sof(C7)=Sof(H7A)=Sof(H7B)=Sof(H7C)=FVAR(1)
5.a Ternary CH refined with riding coordinates:
 C8(H8), C11(H11), C12(H12), C15(H15)
5.b Secondary CH2 refined with riding coordinates:
 C5(H5A,H5B), C6(H6A,H6B), C9(H9B,H9A), C10(H10A,H10B), C13(H13A,H13B),
 C14(H14A,H14B)
5.c Idealised Me refined as rotating group:
 C1(H1A,H1B,H1C), C2(H2A,H2B,H2C), C3(H3A,H3B,H3C), C4(H4A,H4B,H4C), C7(H7A,
 H7B,H7C), C7A(H7AA,H7AB,H7AC)
;
_atom_sites_solution_hydrogens   geom
_atom_sites_solution_primary     dual
_atom_sites_solution_secondary   ?
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
_atom_site_refinement_flags_posn
_atom_site_refinement_flags_adp
_atom_site_refinement_flags_occupancy
_atom_site_disorder_assembly
_atom_site_disorder_group
Rh1 Rh 0.37961(2) 0.74784(2) 0.32512(2) 0.01307(4) Uani 1 1 d . . . . .
P1 P 0.39216(2) 0.62675(3) 0.45958(4) 0.01437(9) Uani 1 1 d . . . . .
P2 P 0.36382(2) 0.86334(3) 0.46313(4) 0.01491(9) Uani 1 1 d . . . . .
Al1 Al 0.37633(3) 0.74063(4) 0.69143(5) 0.01918(12) Uani 1 1 d D . . . .
C1 C 0.43056(8) 0.51809(14) 0.41532(17) 0.0199(4) Uani 1 1 d . . . . .
H1A H 0.470424 0.535022 0.402466 0.030 Uiso 1 1 calc R U . . .
H1B H 0.412128 0.492770 0.345916 0.030 Uiso 1 1 calc R U . . .
H1C H 0.429630 0.468488 0.473963 0.030 Uiso 1 1 calc R U . . .
C2 C 0.32282(8) 0.57368(15) 0.48855(18) 0.0219(4) Uani 1 1 d . . . . .
H2A H 0.327739 0.526872 0.550003 0.033 Uiso 1 1 calc R U . . .
H2B H 0.306992 0.540542 0.421398 0.033 Uiso 1 1 calc R U . . .
H2C H 0.296532 0.625160 0.509795 0.033 Uiso 1 1 calc R U . . .
C3 C 0.43147(8) 0.91703(15) 0.51669(17) 0.0213(4) Uani 1 1 d . . . . .
H3A H 0.424059 0.961626 0.578164 0.032 Uiso 1 1 calc R U . . .
H3B H 0.449122 0.952739 0.456451 0.032 Uiso 1 1 calc R U . . .
H3C H 0.457424 0.865442 0.544082 0.032 Uiso 1 1 calc R U . . .
C4 C 0.32505(9) 0.97288(14) 0.41527(17) 0.0209(4) Uani 1 1 d . . . . .
H4A H 0.285894 0.955383 0.389863 0.031 Uiso 1 1 calc R U . . .
H4B H 0.344720 1.002351 0.353233 0.031 Uiso 1 1 calc R U . . .
H4C H 0.323849 1.019346 0.477176 0.031 Uiso 1 1 calc R U . . .
C5 C 0.42399(8) 0.65491(14) 0.59612(15) 0.0179(4) Uani 1 1 d . . . . .
H5A H 0.461271 0.687155 0.586508 0.022 Uiso 1 1 calc R U . . .
H5B H 0.431732 0.593304 0.636759 0.022 Uiso 1 1 calc R U . . .
C6 C 0.32875(8) 0.82723(14) 0.58775(16) 0.0187(4) Uani 1 1 d . . . . .
H6A H 0.292800 0.792909 0.565153 0.022 Uiso 1 1 calc R U . . .
H6B H 0.318327 0.886318 0.629253 0.022 Uiso 1 1 calc R U . . .
C8 C 0.41463(9) 0.65746(14) 0.18940(16) 0.0212(4) Uani 1 1 d . . . . .
H8 H 0.441111 0.604979 0.217762 0.025 Uiso 1 1 calc R U . . .
C9 C 0.43889(10) 0.71861(16) 0.09715(18) 0.0265(4) Uani 1 1 d . . . . .
H9B H 0.414092 0.711107 0.028132 0.032 Uiso 1 1 calc R U . . .
H9A H 0.477384 0.693751 0.081277 0.032 Uiso 1 1 calc R U . . .
C10 C 0.44369(9) 0.82767(15) 0.12639(17) 0.0226(4) Uani 1 1 d . . . . .
H10A H 0.481814 0.839983 0.163472 0.027 Uiso 1 1 calc R U . . .
H10B H 0.441205 0.865695 0.056061 0.027 Uiso 1 1 calc R U . . .
C11 C 0.39791(9) 0.86359(14) 0.20228(16) 0.0195(4) Uani 1 1 d . . . . .
H11 H 0.406033 0.928696 0.236516 0.023 Uiso 1 1 calc R U . . .
C12 C 0.34029(9) 0.84165(13) 0.18769(16) 0.0182(4) Uani 1 1 d . . . . .
H12 H 0.314259 0.893383 0.214480 0.022 Uiso 1 1 calc R U . . .
C13 C 0.31465(10) 0.78158(15) 0.09161(17) 0.0237(4) Uani 1 1 d . . . . .
H13A H 0.339779 0.785489 0.027503 0.028 Uiso 1 1 calc R U . . .
H13B H 0.276830 0.808713 0.067328 0.028 Uiso 1 1 calc R U . . .
C14 C 0.30741(10) 0.67406(15) 0.12517(19) 0.0271(4) Uani 1 1 d . . . . .
H14A H 0.271717 0.667205 0.165703 0.033 Uiso 1 1 calc R U . . .
H14B H 0.303329 0.634095 0.056420 0.033 Uiso 1 1 calc R U . . .
C15 C 0.35729(9) 0.63539(14) 0.19865(16) 0.0224(4) Uani 1 1 d . . . . .
H15 H 0.350348 0.569749 0.231052 0.027 Uiso 1 1 calc R U . . .
Cl1 Cl 0.31712(3) 0.64719(7) 0.77989(9) 0.0286(2) Uani 0.798(3) 1 d D . P A 1
C7 C 0.4237(7) 0.8129(11) 0.8022(12) 0.0317(13) Uani 0.798(3) 1 d D . P A 1
H7A H 0.399120 0.842437 0.856926 0.048 Uiso 0.798(3) 1 calc R U P A 1
H7B H 0.444700 0.863900 0.764501 0.048 Uiso 0.798(3) 1 calc R U P A 1
H7C H 0.450899 0.768578 0.840667 0.048 Uiso 0.798(3) 1 calc R U P A 1
Cl1A Cl 0.4270(7) 0.8289(10) 0.8094(12) 0.0317(13) Uani 0.202(3) 1 d D . P A 2
C7A C 0.3300(8) 0.6626(15) 0.7804(18) 0.0286(2) Uani 0.202(3) 1 d D . P A 2
H7AA H 0.318015 0.604333 0.738297 0.043 Uiso 0.202(3) 1 calc R U P A 2
H7AB H 0.296032 0.699421 0.799981 0.043 Uiso 0.202(3) 1 calc R U P A 2
H7AC H 0.351825 0.643480 0.848925 0.043 Uiso 0.202(3) 1 calc R U P A 2


_geom_special_details            
;
 All esds (except the esd in the dihedral angle between two l.s. planes)
 are estimated using the full covariance matrix.  The cell esds are taken
 into account individually in the estimation of esds in distances, angles
 and torsion angles; correlations between esds in cell parameters are only
 used when they are defined by crystal symmetry.  An approximate (isotropic)
 treatment of cell esds is used for estimating esds involving l.s. planes.
;
loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_site_symmetry_2
_geom_bond_publ_flag
Rh1 P1 2.3249(5) . ?
Rh1 P2 2.3348(5) . ?
Rh1 C8 2.2328(19) . ?
Rh1 C11 2.2236(19) . ?
Rh1 C12 2.2504(18) . ?
Rh1 C15 2.2090(19) . ?
P1 C1 1.837(2) . ?
P1 C2 1.8269(19) . ?
P1 C5 1.8023(19) . ?
P2 C3 1.832(2) . ?
P2 C4 1.837(2) . ?
P2 C6 1.8058(19) . ?
Al1 C5 2.0149(19) . ?
Al1 C6 2.015(2) . ?
Al1 Cl1 2.1993(9) . ?
Al1 C7 1.955(11) . ?
Al1 Cl1A 2.169(11) . ?
Al1 C7A 1.891(14) . ?
C1 H1A 0.9800 . ?
C1 H1B 0.9800 . ?
C1 H1C 0.9800 . ?
C2 H2A 0.9800 . ?
C2 H2B 0.9800 . ?
C2 H2C 0.9800 . ?
C3 H3A 0.9800 . ?
C3 H3B 0.9800 . ?
C3 H3C 0.9800 . ?
C4 H4A 0.9800 . ?
C4 H4B 0.9800 . ?
C4 H4C 0.9800 . ?
C5 H5A 0.9900 . ?
C5 H5B 0.9900 . ?
C6 H6A 0.9900 . ?
C6 H6B 0.9900 . ?
C8 H8 1.0000 . ?
C8 C9 1.520(3) . ?
C8 C15 1.384(3) . ?
C9 H9B 0.9900 . ?
C9 H9A 0.9900 . ?
C9 C10 1.545(3) . ?
C10 H10A 0.9900 . ?
C10 H10B 0.9900 . ?
C10 C11 1.520(3) . ?
C11 H11 1.0000 . ?
C11 C12 1.383(3) . ?
C12 H12 1.0000 . ?
C12 C13 1.515(3) . ?
C13 H13A 0.9900 . ?
C13 H13B 0.9900 . ?
C13 C14 1.546(3) . ?
C14 H14A 0.9900 . ?
C14 H14B 0.9900 . ?
C14 C15 1.521(3) . ?
C15 H15 1.0000 . ?
C7 H7A 0.9800 . ?
C7 H7B 0.9800 . ?
C7 H7C 0.9800 . ?
C7A H7AA 0.9800 . ?
C7A H7AB 0.9800 . ?
C7A H7AC 0.9800 . ?

loop_
_geom_angle_atom_site_label_1
_geom_angle_atom_site_label_2
_geom_angle_atom_site_label_3
_geom_angle
_geom_angle_site_symmetry_1
_geom_angle_site_symmetry_3
_geom_angle_publ_flag
P1 Rh1 P2 91.09(2) . . ?
C8 Rh1 P1 93.70(5) . . ?
C8 Rh1 P2 165.98(6) . . ?
C8 Rh1 C12 86.59(7) . . ?
C11 Rh1 P1 161.67(5) . . ?
C11 Rh1 P2 91.19(5) . . ?
C11 Rh1 C8 80.22(7) . . ?
C11 Rh1 C12 36.01(7) . . ?
C12 Rh1 P1 161.75(5) . . ?
C12 Rh1 P2 92.96(5) . . ?
C15 Rh1 P1 89.30(5) . . ?
C15 Rh1 P2 157.13(6) . . ?
C15 Rh1 C8 36.31(8) . . ?
C15 Rh1 C11 95.58(8) . . ?
C15 Rh1 C12 80.14(7) . . ?
C1 P1 Rh1 115.60(7) . . ?
C2 P1 Rh1 109.61(7) . . ?
C2 P1 C1 100.34(9) . . ?
C5 P1 Rh1 120.28(7) . . ?
C5 P1 C1 104.52(9) . . ?
C5 P1 C2 104.14(9) . . ?
C3 P2 Rh1 110.97(7) . . ?
C3 P2 C4 100.44(10) . . ?
C4 P2 Rh1 115.62(7) . . ?
C6 P2 Rh1 119.32(7) . . ?
C6 P2 C3 104.01(9) . . ?
C6 P2 C4 104.25(9) . . ?
C5 Al1 Cl1 107.94(7) . . ?
C5 Al1 Cl1A 113.4(4) . . ?
C6 Al1 C5 107.62(8) . . ?
C6 Al1 Cl1 107.52(7) . . ?
C6 Al1 Cl1A 109.6(4) . . ?
C7 Al1 C5 111.8(5) . . ?
C7 Al1 C6 113.1(5) . . ?
C7 Al1 Cl1 108.7(5) . . ?
C7A Al1 C5 109.5(7) . . ?
C7A Al1 C6 111.6(7) . . ?
C7A Al1 Cl1A 105.2(8) . . ?
P1 C1 H1A 109.5 . . ?
P1 C1 H1B 109.5 . . ?
P1 C1 H1C 109.5 . . ?
H1A C1 H1B 109.5 . . ?
H1A C1 H1C 109.5 . . ?
H1B C1 H1C 109.5 . . ?
P1 C2 H2A 109.5 . . ?
P1 C2 H2B 109.5 . . ?
P1 C2 H2C 109.5 . . ?
H2A C2 H2B 109.5 . . ?
H2A C2 H2C 109.5 . . ?
H2B C2 H2C 109.5 . . ?
P2 C3 H3A 109.5 . . ?
P2 C3 H3B 109.5 . . ?
P2 C3 H3C 109.5 . . ?
H3A C3 H3B 109.5 . . ?
H3A C3 H3C 109.5 . . ?
H3B C3 H3C 109.5 . . ?
P2 C4 H4A 109.5 . . ?
P2 C4 H4B 109.5 . . ?
P2 C4 H4C 109.5 . . ?
H4A C4 H4B 109.5 . . ?
H4A C4 H4C 109.5 . . ?
H4B C4 H4C 109.5 . . ?
P1 C5 Al1 115.06(10) . . ?
P1 C5 H5A 108.5 . . ?
P1 C5 H5B 108.5 . . ?
Al1 C5 H5A 108.5 . . ?
Al1 C5 H5B 108.5 . . ?
H5A C5 H5B 107.5 . . ?
P2 C6 Al1 114.29(10) . . ?
P2 C6 H6A 108.7 . . ?
P2 C6 H6B 108.7 . . ?
Al1 C6 H6A 108.7 . . ?
Al1 C6 H6B 108.7 . . ?
H6A C6 H6B 107.6 . . ?
Rh1 C8 H8 113.6 . . ?
C9 C8 Rh1 112.46(13) . . ?
C9 C8 H8 113.6 . . ?
C15 C8 Rh1 70.91(11) . . ?
C15 C8 H8 113.6 . . ?
C15 C8 C9 125.28(19) . . ?
C8 C9 H9B 108.8 . . ?
C8 C9 H9A 108.8 . . ?
C8 C9 C10 113.58(16) . . ?
H9B C9 H9A 107.7 . . ?
C10 C9 H9B 108.8 . . ?
C10 C9 H9A 108.8 . . ?
C9 C10 H10A 108.8 . . ?
C9 C10 H10B 108.8 . . ?
H10A C10 H10B 107.7 . . ?
C11 C10 C9 113.96(17) . . ?
C11 C10 H10A 108.8 . . ?
C11 C10 H10B 108.8 . . ?
Rh1 C11 H11 114.3 . . ?
C10 C11 Rh1 108.98(13) . . ?
C10 C11 H11 114.3 . . ?
C12 C11 Rh1 73.05(11) . . ?
C12 C11 C10 124.32(18) . . ?
C12 C11 H11 114.3 . . ?
Rh1 C12 H12 114.1 . . ?
C11 C12 Rh1 70.94(11) . . ?
C11 C12 H12 114.1 . . ?
C11 C12 C13 124.13(18) . . ?
C13 C12 Rh1 111.84(12) . . ?
C13 C12 H12 114.1 . . ?
C12 C13 H13A 109.3 . . ?
C12 C13 H13B 109.3 . . ?
C12 C13 C14 111.75(16) . . ?
H13A C13 H13B 107.9 . . ?
C14 C13 H13A 109.3 . . ?
C14 C13 H13B 109.3 . . ?
C13 C14 H14A 108.9 . . ?
C13 C14 H14B 108.9 . . ?
H14A C14 H14B 107.7 . . ?
C15 C14 C13 113.25(17) . . ?
C15 C14 H14A 108.9 . . ?
C15 C14 H14B 108.9 . . ?
Rh1 C15 H15 114.0 . . ?
C8 C15 Rh1 72.78(11) . . ?
C8 C15 C14 126.47(19) . . ?
C8 C15 H15 114.0 . . ?
C14 C15 Rh1 107.34(13) . . ?
C14 C15 H15 114.0 . . ?
Al1 C7 H7A 109.5 . . ?
Al1 C7 H7B 109.5 . . ?
Al1 C7 H7C 109.5 . . ?
H7A C7 H7B 109.5 . . ?
H7A C7 H7C 109.5 . . ?
H7B C7 H7C 109.5 . . ?
Al1 C7A H7AA 109.5 . . ?
Al1 C7A H7AB 109.5 . . ?
Al1 C7A H7AC 109.5 . . ?
H7AA C7A H7AB 109.5 . . ?
H7AA C7A H7AC 109.5 . . ?
H7AB C7A H7AC 109.5 . . ?

loop_
_geom_torsion_atom_site_label_1
_geom_torsion_atom_site_label_2
_geom_torsion_atom_site_label_3
_geom_torsion_atom_site_label_4
_geom_torsion
_geom_torsion_site_symmetry_1
_geom_torsion_site_symmetry_2
_geom_torsion_site_symmetry_3
_geom_torsion_site_symmetry_4
_geom_torsion_publ_flag
Rh1 P1 C5 Al1 67.67(11) . . . . ?
Rh1 P2 C6 Al1 70.00(12) . . . . ?
Rh1 C8 C9 C10 10.0(2) . . . . ?
Rh1 C8 C15 C14 99.1(2) . . . . ?
Rh1 C11 C12 C13 -103.96(18) . . . . ?
Rh1 C12 C13 C14 15.3(2) . . . . ?
C1 P1 C5 Al1 -160.41(10) . . . . ?
C2 P1 C5 Al1 -55.55(13) . . . . ?
C3 P2 C6 Al1 -54.29(13) . . . . ?
C4 P2 C6 Al1 -159.13(11) . . . . ?
C8 C9 C10 C11 -31.4(3) . . . . ?
C9 C8 C15 Rh1 -104.50(19) . . . . ?
C9 C8 C15 C14 -5.4(3) . . . . ?
C9 C10 C11 Rh1 36.6(2) . . . . ?
C9 C10 C11 C12 -45.5(3) . . . . ?
C10 C11 C12 Rh1 101.75(18) . . . . ?
C10 C11 C12 C13 -2.2(3) . . . . ?
C11 C12 C13 C14 96.5(2) . . . . ?
C12 C13 C14 C15 -39.8(3) . . . . ?
C13 C14 C15 Rh1 43.4(2) . . . . ?
C13 C14 C15 C8 -37.7(3) . . . . ?
C15 C8 C9 C10 91.9(3) . . . . ?

_olex2_submission_special_instructions 'No special instructions were received'
####################################################################### 
# 
# 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_RhcodCH2PMe2
_database_code_depnum_ccdc_archive 'CCDC 2184241'
loop_
_audit_author_name
_audit_author_address
'Katarina Paskaruk'
;McMaster University
Canada
;
_audit_update_record             
;
2022-07-05 deposited with the CCDC.	2022-09-14 downloaded from the CCDC.
;
_audit_creation_date             2022-05-12
_audit_creation_method           
;
Olex2 1.3
(compiled 2020.11.12 svn.r5f609507 for OlexSys, GUI svn.r6272)
;
_shelx_SHELXL_version_number     2018/3
_chemical_name_common            ?
_chemical_name_systematic        ?
_chemical_formula_moiety         'C22 H40 P2 Rh2'
_chemical_formula_sum            'C22 H40 P2 Rh2'
_chemical_formula_weight         572.30
_chemical_melting_point          ?
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'
H H 0.0000 0.0000 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
P P 0.1023 0.0942 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Rh Rh -1.1178 0.9187 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'

_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.
;
_space_group_crystal_system      monoclinic
_space_group_IT_number           15
_space_group_name_H-M_alt        'I 1 2/a 1'
_space_group_name_Hall           '-I 2ya'
loop_
_space_group_symop_operation_xyz
'x, y, z'
'-x+1/2, y, -z'
'x+1/2, y+1/2, z+1/2'
'-x+1, y+1/2, -z+1/2'
'-x, -y, -z'
'x-1/2, -y, z'
'-x+1/2, -y+1/2, -z+1/2'
'x, -y+1/2, z+1/2'

_cell_length_a                   18.1428(7)
_cell_length_b                   6.3491(3)
_cell_length_c                   19.3303(12)
_cell_angle_alpha                90
_cell_angle_beta                 93.2420(10)
_cell_angle_gamma                90
_cell_volume                     2223.10(19)
_cell_formula_units_Z            4
_cell_measurement_reflns_used    9898
_cell_measurement_temperature    100.0(1)
_cell_measurement_theta_max      31.05
_cell_measurement_theta_min      2.25
_shelx_estimated_absorpt_T_max   0.908
_shelx_estimated_absorpt_T_min   0.758
_exptl_absorpt_coefficient_mu    1.633
_exptl_absorpt_correction_T_max  0.7467
_exptl_absorpt_correction_T_min  0.6956
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   
;
SADABS-2014/4 (Bruker,2014/4) was used for absorption correction.
wR2(int) was 0.0435 before and 0.0382 after correction.
The Ratio of minimum to maximum transmission is 0.9316.
The λ/2 correction factor is 0.00150.
;
_exptl_absorpt_special_details   ?
_exptl_crystal_colour            orange
_exptl_crystal_colour_primary    orange
_exptl_crystal_density_diffrn    1.710
_exptl_crystal_density_meas      ?
_exptl_crystal_density_method    ?
_exptl_crystal_description       block
_exptl_crystal_F_000             1168
_exptl_crystal_size_max          0.18
_exptl_crystal_size_mid          0.1
_exptl_crystal_size_min          0.06
_exptl_transmission_factor_max   ?
_exptl_transmission_factor_min   ?
_diffrn_reflns_av_R_equivalents  0.0349
_diffrn_reflns_av_unetI/netI     0.0227
_diffrn_reflns_Laue_measured_fraction_full 1.000
_diffrn_reflns_Laue_measured_fraction_max 0.979
_diffrn_reflns_limit_h_max       27
_diffrn_reflns_limit_h_min       -27
_diffrn_reflns_limit_k_max       9
_diffrn_reflns_limit_k_min       -9
_diffrn_reflns_limit_l_max       30
_diffrn_reflns_limit_l_min       -30
_diffrn_reflns_number            47952
_diffrn_reflns_point_group_measured_fraction_full 1.000
_diffrn_reflns_point_group_measured_fraction_max 0.979
_diffrn_reflns_theta_full        25.242
_diffrn_reflns_theta_max         33.724
_diffrn_reflns_theta_min         2.110
_diffrn_ambient_temperature      100.0
_diffrn_detector_area_resol_mean ?
_diffrn_measured_fraction_theta_full 1.000
_diffrn_measured_fraction_theta_max 0.979
_diffrn_measurement_device_type  'Bruker APEX-II CCD'
_diffrn_measurement_method       'φ and ω scans'
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_source                   ?
_diffrn_source_current           30.0
_diffrn_source_power             1.5
_diffrn_source_voltage           50.0
_diffrn_standards_number         0
_reflns_Friedel_coverage         0.000
_reflns_Friedel_fraction_full    .
_reflns_Friedel_fraction_max     .
_reflns_number_gt                3672
_reflns_number_total             4333
_reflns_special_details          
;
 Reflections were merged by SHELXL according to the crystal
 class for the calculation of statistics and refinement.
 
 _reflns_Friedel_fraction is defined as the number of unique
 Friedel pairs measured divided by the number that would be
 possible theoretically, ignoring centric projections and
 systematic absences.
;
_reflns_threshold_expression     'I > 2σ(I)'
_computing_cell_refinement       'SAINT v8.34A (Bruker, 2013)'
_computing_data_collection       ?
_computing_data_reduction        'SAINT v8.34A (Bruker, 2013)'
_computing_molecular_graphics    'Olex2 1.3 (Dolomanov et al., 2009)'
_computing_publication_material  'Olex2 1.3 (Dolomanov et al., 2009)'
_computing_structure_refinement  'SHELXL 2018/3 (Sheldrick, 2015)'
_computing_structure_solution    'SHELXT 2014/5 (Sheldrick, 2014)'
_refine_diff_density_max         0.819
_refine_diff_density_min         -0.534
_refine_diff_density_rms         0.099
_refine_ls_extinction_coef       .
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   0.996
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     120
_refine_ls_number_reflns         4333
_refine_ls_number_restraints     0
_refine_ls_R_factor_all          0.0256
_refine_ls_R_factor_gt           0.0190
_refine_ls_restrained_S_all      0.996
_refine_ls_shift/su_max          0.003
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details     
'w=1/[σ²(Fo²)+(0.0295P)²] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0452
_refine_ls_wR_factor_ref         0.0461
_refine_special_details          ?
_olex2_refinement_description    
;
1. Fixed Uiso
 At 1.2 times of:
  All C(H) groups, All C(H,H) groups
 At 1.5 times of:
  All C(H,H,H) groups
2.a Ternary CH refined with riding coordinates:
 C4(H4), C5(H5), C8(H8), C9(H9)
2.b Secondary CH2 refined with riding coordinates:
 C1(H1A,H1B), C6(H6A,H6B), C7(H7A,H7B), C10(H10A,H10B), C11(H11A,H11B)
2.c Idealised Me refined as rotating group:
 C2(H2A,H2B,H2C), C3(H3A,H3B,H3C)
;
_atom_sites_solution_hydrogens   geom
_atom_sites_solution_primary     dual
_atom_sites_solution_secondary   ?
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
_atom_site_refinement_flags_posn
_atom_site_refinement_flags_adp
_atom_site_refinement_flags_occupancy
_atom_site_disorder_assembly
_atom_site_disorder_group
Rh1 Rh 0.33574(2) 0.42815(2) 0.58196(2) 0.00827(3) Uani 1 1 d . . . . .
P1 P 0.28978(2) 0.49365(5) 0.41714(2) 0.00915(6) Uani 1 1 d . . . . .
C1 C 0.33750(7) 0.6136(2) 0.49156(6) 0.0107(2) Uani 1 1 d . . . . .
H1A H 0.314484 0.751676 0.500453 0.013 Uiso 1 1 calc R U . . .
H1B H 0.389458 0.639584 0.480922 0.013 Uiso 1 1 calc R U . . .
C2 C 0.34467(7) 0.2607(2) 0.39869(7) 0.0149(2) Uani 1 1 d . . . . .
H2A H 0.396559 0.301229 0.396038 0.022 Uiso 1 1 calc R U . . .
H2B H 0.326615 0.199304 0.354411 0.022 Uiso 1 1 calc R U . . .
H2C H 0.340245 0.156910 0.435738 0.022 Uiso 1 1 calc R U . . .
C3 C 0.31316(7) 0.6633(2) 0.34403(7) 0.0165(3) Uani 1 1 d . . . . .
H3A H 0.283008 0.791400 0.343929 0.025 Uiso 1 1 calc R U . . .
H3B H 0.303361 0.587229 0.300365 0.025 Uiso 1 1 calc R U . . .
H3C H 0.365540 0.701468 0.348956 0.025 Uiso 1 1 calc R U . . .
C4 C 0.44453(6) 0.3004(2) 0.55858(6) 0.0117(2) Uani 1 1 d . . . . .
H4 H 0.459401 0.331689 0.510617 0.014 Uiso 1 1 calc R U . . .
C5 C 0.45524(7) 0.4662(2) 0.60456(6) 0.0114(2) Uani 1 1 d . . . . .
H5 H 0.476393 0.595247 0.583592 0.014 Uiso 1 1 calc R U . . .
C6 C 0.47613(7) 0.4398(2) 0.68124(7) 0.0138(2) Uani 1 1 d . . . . .
H6A H 0.510428 0.554116 0.696471 0.017 Uiso 1 1 calc R U . . .
H6B H 0.502340 0.304165 0.688569 0.017 Uiso 1 1 calc R U . . .
C7 C 0.40838(7) 0.4442(2) 0.72599(7) 0.0145(2) Uani 1 1 d . . . . .
H7A H 0.421021 0.371275 0.770346 0.017 Uiso 1 1 calc R U . . .
H7B H 0.396580 0.592469 0.736780 0.017 Uiso 1 1 calc R U . . .
C8 C 0.34066(7) 0.3412(2) 0.69127(6) 0.0126(2) Uani 1 1 d . . . . .
H8 H 0.293983 0.368853 0.714882 0.015 Uiso 1 1 calc R U . . .
C9 C 0.33962(7) 0.1568(2) 0.65229(7) 0.0138(2) Uani 1 1 d . . . . .
H9 H 0.291807 0.078574 0.652746 0.017 Uiso 1 1 calc R U . . .
C10 C 0.40605(7) 0.0144(2) 0.64270(7) 0.0158(2) Uani 1 1 d . . . . .
H10A H 0.389017 -0.133555 0.639307 0.019 Uiso 1 1 calc R U . . .
H10B H 0.440493 0.026031 0.684117 0.019 Uiso 1 1 calc R U . . .
C11 C 0.44793(8) 0.0688(2) 0.57769(7) 0.0151(2) Uani 1 1 d . . . . .
H11A H 0.500291 0.027142 0.585812 0.018 Uiso 1 1 calc R U . . .
H11B H 0.426883 -0.014827 0.538106 0.018 Uiso 1 1 calc R U . . .


_geom_special_details            
;
 All esds (except the esd in the dihedral angle between two l.s. planes)
 are estimated using the full covariance matrix.  The cell esds are taken
 into account individually in the estimation of esds in distances, angles
 and torsion angles; correlations between esds in cell parameters are only
 used when they are defined by crystal symmetry.  An approximate (isotropic)
 treatment of cell esds is used for estimating esds involving l.s. planes.
;
loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_site_symmetry_2
_geom_bond_publ_flag
Rh1 P1 2.3161(3) 2_556 ?
Rh1 C1 2.1091(12) . ?
Rh1 C4 2.2041(12) . ?
Rh1 C5 2.2006(12) . ?
Rh1 C8 2.1807(12) . ?
Rh1 C9 2.1932(13) . ?
P1 C1 1.8050(12) . ?
P1 C2 1.8291(13) . ?
P1 C3 1.8456(13) . ?
C1 H1A 0.9900 . ?
C1 H1B 0.9900 . ?
C2 H2A 0.9800 . ?
C2 H2B 0.9800 . ?
C2 H2C 0.9800 . ?
C3 H3A 0.9800 . ?
C3 H3B 0.9800 . ?
C3 H3C 0.9800 . ?
C4 H4 1.0000 . ?
C4 C5 1.3843(18) . ?
C4 C11 1.5168(18) . ?
C5 H5 1.0000 . ?
C5 C6 1.5184(18) . ?
C6 H6A 0.9900 . ?
C6 H6B 0.9900 . ?
C6 C7 1.5428(19) . ?
C7 H7A 0.9900 . ?
C7 H7B 0.9900 . ?
C7 C8 1.5147(18) . ?
C8 H8 1.0000 . ?
C8 C9 1.3921(19) . ?
C9 H9 1.0000 . ?
C9 C10 1.5263(18) . ?
C10 H10A 0.9900 . ?
C10 H10B 0.9900 . ?
C10 C11 1.5440(19) . ?
C11 H11A 0.9900 . ?
C11 H11B 0.9900 . ?

loop_
_geom_angle_atom_site_label_1
_geom_angle_atom_site_label_2
_geom_angle_atom_site_label_3
_geom_angle
_geom_angle_site_symmetry_1
_geom_angle_site_symmetry_3
_geom_angle_publ_flag
C1 Rh1 P1 88.10(3) . 2_556 ?
C1 Rh1 C4 88.85(5) . . ?
C1 Rh1 C5 92.42(5) . . ?
C1 Rh1 C8 160.46(5) . . ?
C1 Rh1 C9 161.94(5) . . ?
C4 Rh1 P1 163.71(3) . 2_556 ?
C5 Rh1 P1 159.54(3) . 2_556 ?
C5 Rh1 C4 36.63(5) . . ?
C8 Rh1 P1 91.41(3) . 2_556 ?
C8 Rh1 C4 96.75(5) . . ?
C8 Rh1 C5 81.35(5) . . ?
C8 Rh1 C9 37.11(5) . . ?
C9 Rh1 P1 97.67(3) . 2_556 ?
C9 Rh1 C4 80.82(5) . . ?
C9 Rh1 C5 88.09(5) . . ?
C1 P1 Rh1 119.82(4) . 2_556 ?
C1 P1 C2 104.76(6) . . ?
C1 P1 C3 104.08(6) . . ?
C2 P1 Rh1 113.75(4) . 2_556 ?
C2 P1 C3 99.87(6) . . ?
C3 P1 Rh1 112.28(4) . 2_556 ?
Rh1 C1 H1A 108.9 . . ?
Rh1 C1 H1B 108.9 . . ?
P1 C1 Rh1 113.31(6) . . ?
P1 C1 H1A 108.9 . . ?
P1 C1 H1B 108.9 . . ?
H1A C1 H1B 107.7 . . ?
P1 C2 H2A 109.5 . . ?
P1 C2 H2B 109.5 . . ?
P1 C2 H2C 109.5 . . ?
H2A C2 H2B 109.5 . . ?
H2A C2 H2C 109.5 . . ?
H2B C2 H2C 109.5 . . ?
P1 C3 H3A 109.5 . . ?
P1 C3 H3B 109.5 . . ?
P1 C3 H3C 109.5 . . ?
H3A C3 H3B 109.5 . . ?
H3A C3 H3C 109.5 . . ?
H3B C3 H3C 109.5 . . ?
Rh1 C4 H4 114.1 . . ?
C5 C4 Rh1 71.54(7) . . ?
C5 C4 H4 114.1 . . ?
C5 C4 C11 125.36(12) . . ?
C11 C4 Rh1 109.35(8) . . ?
C11 C4 H4 114.1 . . ?
Rh1 C5 H5 113.9 . . ?
C4 C5 Rh1 71.82(7) . . ?
C4 C5 H5 113.9 . . ?
C4 C5 C6 124.12(12) . . ?
C6 C5 Rh1 111.73(8) . . ?
C6 C5 H5 113.9 . . ?
C5 C6 H6A 109.1 . . ?
C5 C6 H6B 109.1 . . ?
C5 C6 C7 112.50(10) . . ?
H6A C6 H6B 107.8 . . ?
C7 C6 H6A 109.1 . . ?
C7 C6 H6B 109.1 . . ?
C6 C7 H7A 108.9 . . ?
C6 C7 H7B 108.9 . . ?
H7A C7 H7B 107.7 . . ?
C8 C7 C6 113.30(11) . . ?
C8 C7 H7A 108.9 . . ?
C8 C7 H7B 108.9 . . ?
Rh1 C8 H8 114.1 . . ?
C7 C8 Rh1 107.93(8) . . ?
C7 C8 H8 114.1 . . ?
C9 C8 Rh1 71.93(7) . . ?
C9 C8 C7 126.08(11) . . ?
C9 C8 H8 114.1 . . ?
Rh1 C9 H9 113.5 . . ?
C8 C9 Rh1 70.95(7) . . ?
C8 C9 H9 113.5 . . ?
C8 C9 C10 125.26(12) . . ?
C10 C9 Rh1 112.82(9) . . ?
C10 C9 H9 113.5 . . ?
C9 C10 H10A 108.9 . . ?
C9 C10 H10B 108.9 . . ?
C9 C10 C11 113.24(11) . . ?
H10A C10 H10B 107.7 . . ?
C11 C10 H10A 108.9 . . ?
C11 C10 H10B 108.9 . . ?
C4 C11 C10 113.57(11) . . ?
C4 C11 H11A 108.9 . . ?
C4 C11 H11B 108.9 . . ?
C10 C11 H11A 108.9 . . ?
C10 C11 H11B 108.9 . . ?
H11A C11 H11B 107.7 . . ?

loop_
_geom_torsion_atom_site_label_1
_geom_torsion_atom_site_label_2
_geom_torsion_atom_site_label_3
_geom_torsion_atom_site_label_4
_geom_torsion
_geom_torsion_site_symmetry_1
_geom_torsion_site_symmetry_2
_geom_torsion_site_symmetry_3
_geom_torsion_site_symmetry_4
_geom_torsion_publ_flag
Rh1 P1 C1 Rh1 62.81(7) 2_556 . . . ?
Rh1 C4 C5 C6 104.37(12) . . . . ?
Rh1 C4 C11 C10 -35.41(13) . . . . ?
Rh1 C5 C6 C7 -13.19(13) . . . . ?
Rh1 C8 C9 C10 104.98(12) . . . . ?
Rh1 C9 C10 C11 -10.30(14) . . . . ?
C2 P1 C1 Rh1 -66.31(7) . . . . ?
C3 P1 C1 Rh1 -170.72(6) . . . . ?
C4 C5 C6 C7 -95.39(14) . . . . ?
C5 C4 C11 C10 45.25(17) . . . . ?
C5 C6 C7 C8 35.87(15) . . . . ?
C6 C7 C8 Rh1 -39.92(13) . . . . ?
C6 C7 C8 C9 40.43(18) . . . . ?
C7 C8 C9 Rh1 -99.38(12) . . . . ?
C7 C8 C9 C10 5.6(2) . . . . ?
C8 C9 C10 C11 -92.47(15) . . . . ?
C9 C10 C11 C4 30.70(16) . . . . ?
C11 C4 C5 Rh1 -101.04(12) . . . . ?
C11 C4 C5 C6 3.33(19) . . . . ?

_olex2_submission_special_instructions 'No special instructions were received'
####################################################################### 
# 
# 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_PAlMeCl
_database_code_depnum_ccdc_archive 'CCDC 2184245'
loop_
_audit_author_name
_audit_author_address
'Katarina Paskaruk'
;McMaster University
Canada
;
_audit_update_record             
;
2022-07-05 deposited with the CCDC.	2022-09-14 downloaded from the CCDC.
;
_audit_creation_date             2022-05-19
_audit_creation_method           
;
Olex2 1.3
(compiled 2020.11.12 svn.r5f609507 for OlexSys, GUI svn.r6272)
;
_shelx_SHELXL_version_number     2018/3
_chemical_name_common            ?
_chemical_name_systematic        ?
_chemical_formula_moiety         'C8 H22 Al2 Cl2 P2'
_chemical_formula_sum            'C8 H22 Al2 Cl2 P2'
_chemical_formula_weight         305.05
_chemical_melting_point          ?
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'
H H 0.0000 0.0000 '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'
P P 0.1023 0.0942 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'

_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.
;
_space_group_crystal_system      triclinic
_space_group_IT_number           2
_space_group_name_H-M_alt        'P -1'
_space_group_name_Hall           '-P 1'
loop_
_space_group_symop_operation_xyz
'x, y, z'
'-x, -y, -z'

_cell_length_a                   6.5589(2)
_cell_length_b                   7.5892(2)
_cell_length_c                   9.2977(2)
_cell_angle_alpha                76.9990(10)
_cell_angle_beta                 70.5430(10)
_cell_angle_gamma                66.6410(10)
_cell_volume                     398.300(19)
_cell_formula_units_Z            1
_cell_measurement_reflns_used    3959
_cell_measurement_temperature    100.0(1)
_cell_measurement_theta_max      31.66
_cell_measurement_theta_min      2.34
_shelx_estimated_absorpt_T_max   0.947
_shelx_estimated_absorpt_T_min   0.904
_exptl_absorpt_coefficient_mu    0.688
_exptl_absorpt_correction_T_max  0.901
_exptl_absorpt_correction_T_min  0.798
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   
;
 TWINABS-2012/1 (Bruker,2012) was used for absorption correction.
 
For component 1:
 wR2(int) was 0.1381 before and 0.0413 after correction.
 
For component 2:
 wR2(int) was 0.1090 before and 0.0453 after correction.
 
For component 3:
 wR2(int) was 0.1324 before and 0.0446 after correction.
 The Ratio of minimum to maximum transmission is 0.89.

Final HKLF 4 output contains 58476 reflections, Rint = 0.0371
 (36614 with I > 3sig(I), Rint = 0.0313)
;
_exptl_absorpt_special_details   ?
_exptl_crystal_colour            colourless
_exptl_crystal_colour_primary    colourless
_exptl_crystal_density_diffrn    1.272
_exptl_crystal_density_meas      ?
_exptl_crystal_density_method    ?
_exptl_crystal_description       plate
_exptl_crystal_F_000             160
_exptl_crystal_size_max          0.15
_exptl_crystal_size_mid          0.15
_exptl_crystal_size_min          0.08
_exptl_transmission_factor_max   ?
_exptl_transmission_factor_min   ?
_diffrn_reflns_av_R_equivalents  ?
_diffrn_reflns_av_unetI/netI     0.0255
_diffrn_reflns_Laue_measured_fraction_full 0.997
_diffrn_reflns_Laue_measured_fraction_max 0.928
_diffrn_reflns_limit_h_max       9
_diffrn_reflns_limit_h_min       -9
_diffrn_reflns_limit_k_max       11
_diffrn_reflns_limit_k_min       -11
_diffrn_reflns_limit_l_max       14
_diffrn_reflns_limit_l_min       0
_diffrn_reflns_number            8302
_diffrn_reflns_point_group_measured_fraction_full 0.997
_diffrn_reflns_point_group_measured_fraction_max 0.928
_diffrn_reflns_theta_full        25.242
_diffrn_reflns_theta_max         32.740
_diffrn_reflns_theta_min         2.941
_diffrn_ambient_temperature      100.00(10)
_diffrn_detector_area_resol_mean ?
_diffrn_measured_fraction_theta_full 0.997
_diffrn_measured_fraction_theta_max 0.928
_diffrn_measurement_device_type  'Bruker APEX-II CCD'
_diffrn_measurement_method       'φ and ω scans'
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_source                   ?
_diffrn_source_current           30.0
_diffrn_source_power             1.5
_diffrn_source_voltage           50.0
_diffrn_standards_number         0
_reflns_Friedel_coverage         0.000
_reflns_Friedel_fraction_full    .
_reflns_Friedel_fraction_max     .
_reflns_number_gt                7151
_reflns_number_total             8302
_reflns_special_details          
;
 _reflns_Friedel_fraction is defined as the number of unique
 Friedel pairs measured divided by the number that would be
 possible theoretically, ignoring centric projections and
 systematic absences. Completness statistics refer to single and
 composite reflections containing twin component 1 only.
;
_reflns_threshold_expression     'I > 2σ(I)'
_computing_cell_refinement       'SAINT V8.38A (Bruker, 2018)'
_computing_data_collection       ?
_computing_data_reduction        'SAINT V8.38A (Bruker, 2018)'
_computing_molecular_graphics    'Olex2 1.3 (Dolomanov et al., 2009)'
_computing_publication_material  'Olex2 1.3 (Dolomanov et al., 2009)'
_computing_structure_refinement  'SHELXL n/a (Sheldrick, 2015)'
_computing_structure_solution    'XT  (Sheldrick, 2015)'
_refine_diff_density_max         0.550
_refine_diff_density_min         -0.356
_refine_diff_density_rms         0.073
_refine_ls_extinction_coef       .
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.061
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     69
_refine_ls_number_reflns         8302
_refine_ls_number_restraints     0
_refine_ls_R_factor_all          0.0407
_refine_ls_R_factor_gt           0.0318
_refine_ls_restrained_S_all      1.061
_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/[σ²(Fo²)+(0.0408P)²+0.0595P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0783
_refine_ls_wR_factor_ref         0.0822
_refine_special_details          
;
 Refined as a 3-component twin.
;
_olex2_refinement_description    
;
1. Twinned data refinement
 Scales: 0.45369
 0.26294 0.28337
2. Fixed Uiso
 At 1.2 times of:
  All C(H,H) groups
 At 1.5 times of:
  All C(H,H,H) groups
3.a Secondary CH2 refined with riding coordinates:
 C3(H3A,H3B)
3.b Idealised Me refined as rotating group:
 C1(H1A,H1B,H1C), C2(H2A,H2B,H2C), C4(H4A,H4B,H4C)
;
_atom_sites_solution_hydrogens   geom
_atom_sites_solution_primary     dual
_atom_sites_solution_secondary   ?
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
_atom_site_refinement_flags_posn
_atom_site_refinement_flags_adp
_atom_site_refinement_flags_occupancy
_atom_site_disorder_assembly
_atom_site_disorder_group
Cl1 Cl 0.29109(6) 0.33384(5) 0.30295(4) 0.02261(10) Uani 1 1 d . . . . .
P1 P 0.51138(6) 0.29929(5) 0.67655(4) 0.01291(9) Uani 1 1 d . . . . .
Al1 Al 0.61070(7) 0.35854(6) 0.30509(5) 0.01369(10) Uani 1 1 d . . . . .
C1 C 0.6468(3) 0.1581(2) 0.82786(17) 0.0228(3) Uani 1 1 d . . . . .
H1A H 0.788728 0.182414 0.813264 0.034 Uiso 1 1 calc R U . . .
H1B H 0.683984 0.020500 0.823920 0.034 Uiso 1 1 calc R U . . .
H1C H 0.540432 0.195359 0.927834 0.034 Uiso 1 1 calc R U . . .
C2 C 0.2686(3) 0.2222(2) 0.71050(17) 0.0206(3) Uani 1 1 d . . . . .
H2A H 0.165320 0.249978 0.813114 0.031 Uiso 1 1 calc R U . . .
H2B H 0.325284 0.083170 0.703270 0.031 Uiso 1 1 calc R U . . .
H2C H 0.184323 0.291877 0.633441 0.031 Uiso 1 1 calc R U . . .
C3 C 0.7069(2) 0.22277(19) 0.49526(15) 0.0151(2) Uani 1 1 d . . . . .
H3A H 0.737594 0.083620 0.497631 0.018 Uiso 1 1 calc R U . . .
H3B H 0.854915 0.236005 0.486427 0.018 Uiso 1 1 calc R U . . .
C4 C 0.8495(2) 0.3015(2) 0.10907(14) 0.0150(2) Uani 1 1 d . . . . .
H4A H 0.886288 0.168359 0.091446 0.023 Uiso 1 1 calc R U . . .
H4B H 0.988829 0.317194 0.112896 0.023 Uiso 1 1 calc R U . . .
H4C H 0.792304 0.390440 0.025311 0.023 Uiso 1 1 calc R U . . .


_geom_special_details            
;
 All esds (except the esd in the dihedral angle between two l.s. planes)
 are estimated using the full covariance matrix.  The cell esds are taken
 into account individually in the estimation of esds in distances, angles
 and torsion angles; correlations between esds in cell parameters are only
 used when they are defined by crystal symmetry.  An approximate (isotropic)
 treatment of cell esds is used for estimating esds involving l.s. planes.
;
loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_site_symmetry_2
_geom_bond_publ_flag
Cl1 Al1 2.1843(5) . ?
P1 Al1 2.4234(5) 2_666 ?
P1 C1 1.8208(15) . ?
P1 C2 1.8158(14) . ?
P1 C3 1.7979(14) . ?
Al1 C3 1.9984(14) . ?
Al1 C4 1.9693(13) . ?
C1 H1A 0.9800 . ?
C1 H1B 0.9800 . ?
C1 H1C 0.9800 . ?
C2 H2A 0.9800 . ?
C2 H2B 0.9800 . ?
C2 H2C 0.9800 . ?
C3 H3A 0.9900 . ?
C3 H3B 0.9900 . ?
C4 H4A 0.9800 . ?
C4 H4B 0.9800 . ?
C4 H4C 0.9800 . ?

loop_
_geom_angle_atom_site_label_1
_geom_angle_atom_site_label_2
_geom_angle_atom_site_label_3
_geom_angle
_geom_angle_site_symmetry_1
_geom_angle_site_symmetry_3
_geom_angle_publ_flag
C1 P1 Al1 110.47(5) . 2_666 ?
C2 P1 Al1 112.12(5) . 2_666 ?
C2 P1 C1 103.75(7) . . ?
C3 P1 Al1 114.44(5) . 2_666 ?
C3 P1 C1 108.43(7) . . ?
C3 P1 C2 107.02(7) . . ?
Cl1 Al1 P1 101.36(2) . 2_666 ?
C3 Al1 Cl1 112.40(4) . . ?
C3 Al1 P1 106.12(4) . 2_666 ?
C4 Al1 Cl1 111.57(4) . . ?
C4 Al1 P1 107.64(4) . 2_666 ?
C4 Al1 C3 116.35(6) . . ?
P1 C1 H1A 109.5 . . ?
P1 C1 H1B 109.5 . . ?
P1 C1 H1C 109.5 . . ?
H1A C1 H1B 109.5 . . ?
H1A C1 H1C 109.5 . . ?
H1B C1 H1C 109.5 . . ?
P1 C2 H2A 109.5 . . ?
P1 C2 H2B 109.5 . . ?
P1 C2 H2C 109.5 . . ?
H2A C2 H2B 109.5 . . ?
H2A C2 H2C 109.5 . . ?
H2B C2 H2C 109.5 . . ?
P1 C3 Al1 117.90(7) . . ?
P1 C3 H3A 107.8 . . ?
P1 C3 H3B 107.8 . . ?
Al1 C3 H3A 107.8 . . ?
Al1 C3 H3B 107.8 . . ?
H3A C3 H3B 107.2 . . ?
Al1 C4 H4A 109.5 . . ?
Al1 C4 H4B 109.5 . . ?
Al1 C4 H4C 109.5 . . ?
H4A C4 H4B 109.5 . . ?
H4A C4 H4C 109.5 . . ?
H4B C4 H4C 109.5 . . ?

loop_
_geom_torsion_atom_site_label_1
_geom_torsion_atom_site_label_2
_geom_torsion_atom_site_label_3
_geom_torsion_atom_site_label_4
_geom_torsion
_geom_torsion_site_symmetry_1
_geom_torsion_site_symmetry_2
_geom_torsion_site_symmetry_3
_geom_torsion_site_symmetry_4
_geom_torsion_publ_flag
Al1 P1 C3 Al1 -54.15(8) 2_666 . . . ?
C1 P1 C3 Al1 -177.95(7) . . . . ?
C2 P1 C3 Al1 70.70(9) . . . . ?

_olex2_submission_special_instructions 'No special instructions were received'
loop_
_twin_individual_id
_twin_individual_mass_fraction_refined
1 0.45369
2 0.26294
3 0.28337

####################################################################### 
# 
# 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_RhcodPPAlCl2
_database_code_depnum_ccdc_archive 'CCDC 2184243'
loop_
_audit_author_name
_audit_author_address
'Katarina Paskaruk'
;McMaster University
Canada
;
_audit_update_record             
;
2022-07-05 deposited with the CCDC.	2022-09-14 downloaded from the CCDC.
;
_audit_creation_date             2022-05-12
_audit_creation_method           
;
Olex2 1.3
(compiled 2020.11.12 svn.r5f609507 for OlexSys, GUI svn.r6272)
;
_shelx_SHELXL_version_number     2018/3
_chemical_name_common            ?
_chemical_name_systematic        ?
_chemical_formula_moiety         'C14 H28 Al Cl2 P2 Rh'
_chemical_formula_sum            'C14 H28 Al Cl2 P2 Rh'
_chemical_formula_weight         459.09
_chemical_melting_point          ?
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'
H H 0.0000 0.0000 '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'
P P 0.1023 0.0942 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Rh Rh -1.1178 0.9187 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'

_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.
;
_space_group_crystal_system      orthorhombic
_space_group_IT_number           60
_space_group_name_H-M_alt        'P b c n'
_space_group_name_Hall           '-P 2n 2ab'
loop_
_space_group_symop_operation_xyz
'x, y, z'
'-x+1/2, -y+1/2, z+1/2'
'-x, y, -z+1/2'
'x+1/2, -y+1/2, -z'
'-x, -y, -z'
'x-1/2, y-1/2, -z-1/2'
'x, -y, z-1/2'
'-x-1/2, y-1/2, z'

_cell_length_a                   13.6821(3)
_cell_length_b                   11.8577(3)
_cell_length_c                   11.8639(3)
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_volume                     1924.78(8)
_cell_formula_units_Z            4
_cell_measurement_reflns_used    9927
_cell_measurement_temperature    100.0(1)
_cell_measurement_theta_max      37.834
_cell_measurement_theta_min      2.272
_shelx_estimated_absorpt_T_max   0.753
_shelx_estimated_absorpt_T_min   0.639
_exptl_absorpt_coefficient_mu    1.366
_exptl_absorpt_correction_T_max  0.7475
_exptl_absorpt_correction_T_min  0.6638
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   
;    
 'SADABS-2014/4 (Bruker,2014/4) was used for absorption correction. 
wR2(int) was 0.0384 before and 0.0256 after correction. 
The Ratio of minimum to maximum transmission is 0.8880. 
The λ/2 correction factor is 0.00150.'
;
_exptl_absorpt_special_details   ?
_exptl_crystal_colour            'clear orange'
_exptl_crystal_colour_lustre     clear
_exptl_crystal_colour_primary    orange
_exptl_crystal_density_diffrn    1.584
_exptl_crystal_density_meas      ?
_exptl_crystal_density_method    ?
_exptl_crystal_description       block
_exptl_crystal_F_000             936
_exptl_crystal_size_max          0.36
_exptl_crystal_size_mid          0.28
_exptl_crystal_size_min          0.22
_exptl_transmission_factor_max   ?
_exptl_transmission_factor_min   ?
_diffrn_reflns_av_R_equivalents  0.0200
_diffrn_reflns_av_unetI/netI     0.0094
_diffrn_reflns_Laue_measured_fraction_full 0.997
_diffrn_reflns_Laue_measured_fraction_max 0.986
_diffrn_reflns_limit_h_max       23
_diffrn_reflns_limit_h_min       -23
_diffrn_reflns_limit_k_max       20
_diffrn_reflns_limit_k_min       -20
_diffrn_reflns_limit_l_max       20
_diffrn_reflns_limit_l_min       -20
_diffrn_reflns_number            64958
_diffrn_reflns_point_group_measured_fraction_full 0.997
_diffrn_reflns_point_group_measured_fraction_max 0.986
_diffrn_reflns_theta_full        25.242
_diffrn_reflns_theta_max         38.069
_diffrn_reflns_theta_min         2.273
_diffrn_ambient_temperature      100.0
_diffrn_detector_area_resol_mean ?
_diffrn_measured_fraction_theta_full 0.997
_diffrn_measured_fraction_theta_max 0.986
_diffrn_measurement_device_type  'Bruker APEX-II CCD'
_diffrn_measurement_method       'φ and ω scans'
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_source                   ?
_reflns_Friedel_coverage         0.000
_reflns_Friedel_fraction_full    .
_reflns_Friedel_fraction_max     .
_reflns_number_gt                4691
_reflns_number_total             5194
_reflns_special_details          
;
 Reflections were merged by SHELXL according to the crystal
 class for the calculation of statistics and refinement.
 
 _reflns_Friedel_fraction is defined as the number of unique
 Friedel pairs measured divided by the number that would be
 possible theoretically, ignoring centric projections and
 systematic absences.
;
_reflns_threshold_expression     'I > 2σ(I)'
_computing_cell_refinement       'SAINT v8.34A (Bruker, 2013)'
_computing_data_collection       ?
_computing_data_reduction        'SAINT v8.34A (Bruker, 2013)'
_computing_molecular_graphics    'Olex2 1.3 (Dolomanov et al., 2009)'
_computing_publication_material  'Olex2 1.3 (Dolomanov et al., 2009)'
_computing_structure_refinement  'SHELXL 2018/3 (Sheldrick, 2015)'
_computing_structure_solution    'olex2.solve (Bourhis et al., 2015)'
_refine_diff_density_max         1.042
_refine_diff_density_min         -0.338
_refine_diff_density_rms         0.072
_refine_ls_extinction_coef       .
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.104
_refine_ls_hydrogen_treatment    mixed
_refine_ls_matrix_type           full
_refine_ls_number_parameters     118
_refine_ls_number_reflns         5194
_refine_ls_number_restraints     0
_refine_ls_R_factor_all          0.0210
_refine_ls_R_factor_gt           0.0179
_refine_ls_restrained_S_all      1.104
_refine_ls_shift/su_max          0.002
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details     
'w=1/[σ²(Fo²)+(0.0256P)²+0.6231P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0479
_refine_ls_wR_factor_ref         0.0495
_refine_special_details          ?
_olex2_refinement_description    
;
1. Fixed Uiso
 At 1.2 times of:
  All C(H,H) groups
 At 1.5 times of:
  All C(H,H,H) groups
2.a Secondary CH2 refined with riding coordinates:
 C3(H3A,H3B)
2.b Idealised Me refined as rotating group:
 C1(H1A,H1B,H1C), C2(H2A,H2B,H2C)
;
_atom_sites_solution_hydrogens   mixed
_atom_sites_solution_primary     dual
_atom_sites_solution_secondary   ?
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
_atom_site_refinement_flags_posn
_atom_site_refinement_flags_adp
_atom_site_refinement_flags_occupancy
_atom_site_disorder_assembly
_atom_site_disorder_group
Al1 Al 0.500000 0.68038(3) 0.250000 0.01517(7) Uani 1 2 d S T P . .
C1 C 0.67447(6) 0.49447(7) 0.14817(7) 0.01888(14) Uani 1 1 d . . . . .
H1A H 0.709154 0.430127 0.115192 0.028 Uiso 1 1 calc R U . . .
H1B H 0.720732 0.556077 0.161781 0.028 Uiso 1 1 calc R U . . .
H1C H 0.623490 0.520005 0.096059 0.028 Uiso 1 1 calc R U . . .
C2 C 0.72682(6) 0.40634(7) 0.36046(7) 0.01717(13) Uani 1 1 d . . . . .
H2A H 0.707391 0.383843 0.436724 0.026 Uiso 1 1 calc R U . . .
H2B H 0.773703 0.468660 0.364885 0.026 Uiso 1 1 calc R U . . .
H2C H 0.757179 0.342127 0.322006 0.026 Uiso 1 1 calc R U . . .
C3 C 0.58482(6) 0.58448(6) 0.34670(6) 0.01547(12) Uani 1 1 d . . . . .
H3A H 0.645025 0.626897 0.365291 0.019 Uiso 1 1 calc R U . . .
H3B H 0.550158 0.568603 0.418212 0.019 Uiso 1 1 calc R U . . .
C4 C 0.40623(6) 0.17702(6) 0.17845(7) 0.01431(11) Uani 1 1 d . . . . .
C5 C 0.38506(6) 0.19095(6) 0.29226(7) 0.01444(12) Uani 1 1 d . . . . .
C6 C 0.42473(6) 0.12031(7) 0.38788(7) 0.01867(13) Uani 1 1 d . . . . .
C7 C 0.46817(6) 0.08378(7) 0.12828(7) 0.01707(13) Uani 1 1 d . . . . .
Cl1 Cl 0.59076(2) 0.78891(2) 0.14449(2) 0.02519(5) Uani 1 1 d . . . . .
H6A H 0.3822(11) 0.0554(12) 0.3951(13) 0.025(4) Uiso 1 1 d . . . . .
H6B H 0.4183(10) 0.1642(12) 0.4523(12) 0.021(3) Uiso 1 1 d . . . . .
H7A H 0.4635(10) 0.0173(12) 0.1723(12) 0.018(3) Uiso 1 1 d . . . . .
H7B H 0.4436(10) 0.0659(11) 0.0552(12) 0.022(3) Uiso 1 1 d . . . . .
P1 P 0.61860(2) 0.45197(2) 0.28142(2) 0.01129(3) Uani 1 1 d . . . . .
Rh1 Rh 0.500000 0.31602(2) 0.250000 0.00939(2) Uani 1 2 d S T P . .
H4 H 0.3661(9) 0.2138(11) 0.1256(10) 0.012(3) Uiso 1 1 d . . . . .
H5 H 0.3312(10) 0.2378(11) 0.3124(12) 0.019(3) Uiso 1 1 d . . . . .


_geom_special_details            
;
 All esds (except the esd in the dihedral angle between two l.s. planes)
 are estimated using the full covariance matrix.  The cell esds are taken
 into account individually in the estimation of esds in distances, angles
 and torsion angles; correlations between esds in cell parameters are only
 used when they are defined by crystal symmetry.  An approximate (isotropic)
 treatment of cell esds is used for estimating esds involving l.s. planes.
;
loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_site_symmetry_2
_geom_bond_publ_flag
Al1 C3 1.9890(8) . ?
Al1 C3 1.9890(8) 3_655 ?
Al1 Cl1 2.1829(3) . ?
Al1 Cl1 2.1829(3) 3_655 ?
C1 H1A 0.9800 . ?
C1 H1B 0.9800 . ?
C1 H1C 0.9800 . ?
C1 P1 1.8269(8) . ?
C2 H2A 0.9800 . ?
C2 H2B 0.9800 . ?
C2 H2C 0.9800 . ?
C2 P1 1.8343(8) . ?
C3 H3A 0.9900 . ?
C3 H3B 0.9900 . ?
C3 P1 1.8118(8) . ?
C4 C5 1.3908(11) . ?
C4 C7 1.5149(11) . ?
C4 Rh1 2.2546(7) . ?
C4 H4 0.941(12) . ?
C5 C6 1.5109(11) . ?
C5 Rh1 2.2190(7) . ?
C5 H5 0.953(14) . ?
C6 C7 1.5400(12) 3_655 ?
C6 H6A 0.969(14) . ?
C6 H6B 0.929(14) . ?
C7 H7A 0.948(14) . ?
C7 H7B 0.954(15) . ?
P1 Rh1 2.31746(19) . ?

loop_
_geom_angle_atom_site_label_1
_geom_angle_atom_site_label_2
_geom_angle_atom_site_label_3
_geom_angle
_geom_angle_site_symmetry_1
_geom_angle_site_symmetry_3
_geom_angle_publ_flag
C3 Al1 C3 110.26(5) . 3_655 ?
C3 Al1 Cl1 109.63(3) . . ?
C3 Al1 Cl1 109.77(2) 3_655 . ?
C3 Al1 Cl1 109.63(3) 3_655 3_655 ?
C3 Al1 Cl1 109.77(2) . 3_655 ?
Cl1 Al1 Cl1 107.75(2) 3_655 . ?
H1A C1 H1B 109.5 . . ?
H1A C1 H1C 109.5 . . ?
H1B C1 H1C 109.5 . . ?
P1 C1 H1A 109.5 . . ?
P1 C1 H1B 109.5 . . ?
P1 C1 H1C 109.5 . . ?
H2A C2 H2B 109.5 . . ?
H2A C2 H2C 109.5 . . ?
H2B C2 H2C 109.5 . . ?
P1 C2 H2A 109.5 . . ?
P1 C2 H2B 109.5 . . ?
P1 C2 H2C 109.5 . . ?
Al1 C3 H3A 108.9 . . ?
Al1 C3 H3B 108.9 . . ?
H3A C3 H3B 107.7 . . ?
P1 C3 Al1 113.46(4) . . ?
P1 C3 H3A 108.9 . . ?
P1 C3 H3B 108.9 . . ?
C5 C4 C7 125.77(7) . . ?
C5 C4 Rh1 70.50(4) . . ?
C5 C4 H4 118.1(8) . . ?
C7 C4 Rh1 111.29(5) . . ?
C7 C4 H4 113.8(8) . . ?
Rh1 C4 H4 104.2(8) . . ?
C4 C5 C6 126.03(7) . . ?
C4 C5 Rh1 73.29(4) . . ?
C4 C5 H5 118.2(8) . . ?
C6 C5 Rh1 106.59(5) . . ?
C6 C5 H5 114.4(8) . . ?
Rh1 C5 H5 102.4(8) . . ?
C5 C6 C7 113.84(7) . 3_655 ?
C5 C6 H6A 106.9(9) . . ?
C5 C6 H6B 105.8(8) . . ?
C7 C6 H6A 111.0(9) 3_655 . ?
C7 C6 H6B 110.5(8) 3_655 . ?
H6A C6 H6B 108.4(12) . . ?
C4 C7 C6 112.09(6) . 3_655 ?
C4 C7 H7A 110.7(9) . . ?
C4 C7 H7B 108.8(8) . . ?
C6 C7 H7A 111.5(9) 3_655 . ?
C6 C7 H7B 106.6(9) 3_655 . ?
H7A C7 H7B 107.0(11) . . ?
C1 P1 C2 100.72(4) . . ?
C1 P1 Rh1 110.22(3) . . ?
C2 P1 Rh1 116.25(3) . . ?
C3 P1 C1 103.73(4) . . ?
C3 P1 C2 104.08(4) . . ?
C3 P1 Rh1 119.57(3) . . ?
C4 Rh1 C4 86.05(4) . 3_655 ?
C4 Rh1 P1 92.84(2) . 3_655 ?
C4 Rh1 P1 92.84(2) 3_655 . ?
C4 Rh1 P1 165.36(2) . . ?
C4 Rh1 P1 165.36(2) 3_655 3_655 ?
C5 Rh1 C4 36.22(3) . . ?
C5 Rh1 C4 36.21(3) 3_655 3_655 ?
C5 Rh1 C4 80.19(3) . 3_655 ?
C5 Rh1 C4 80.19(3) 3_655 . ?
C5 Rh1 C5 96.12(4) 3_655 . ?
C5 Rh1 P1 90.29(2) 3_655 . ?
C5 Rh1 P1 157.64(2) . . ?
C5 Rh1 P1 157.64(2) 3_655 3_655 ?
C5 Rh1 P1 90.29(2) . 3_655 ?
P1 Rh1 P1 91.849(10) . 3_655 ?

loop_
_geom_torsion_atom_site_label_1
_geom_torsion_atom_site_label_2
_geom_torsion_atom_site_label_3
_geom_torsion_atom_site_label_4
_geom_torsion
_geom_torsion_site_symmetry_1
_geom_torsion_site_symmetry_2
_geom_torsion_site_symmetry_3
_geom_torsion_site_symmetry_4
_geom_torsion_publ_flag
Al1 C3 P1 C1 55.31(5) . . . . ?
Al1 C3 P1 C2 160.30(4) . . . . ?
Al1 C3 P1 Rh1 -67.91(5) . . . . ?
C4 C5 C6 C7 37.07(11) . . . 3_655 ?
C5 C4 C7 C6 -95.02(10) . . . 3_655 ?
C7 C4 C5 C6 4.04(12) . . . . ?
C7 C4 C5 Rh1 102.68(7) . . . . ?
Rh1 C4 C5 C6 -98.64(8) . . . . ?
Rh1 C4 C7 C6 -14.28(8) . . . 3_655 ?
Rh1 C5 C6 C7 -44.06(8) . . . 3_655 ?

_olex2_submission_special_instructions 'No special instructions were received'
####################################################################### 
# 
# 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_PtPPPAlMe
_database_code_depnum_ccdc_archive 'CCDC 2184244'
loop_
_audit_author_name
_audit_author_address
'Katarina Paskaruk'
;McMaster University
Canada
;
_audit_update_record             
;
2022-07-05 deposited with the CCDC.	2022-09-14 downloaded from the CCDC.
;
_audit_creation_date             2022-05-11
_audit_creation_method           
;
Olex2 1.3
(compiled 2020.11.12 svn.r5f609507 for OlexSys, GUI svn.r6272)
;
_shelx_SHELXL_version_number     2018/3
_chemical_name_common            ?
_chemical_name_systematic        ?
_chemical_formula_moiety         'C22 H60 Al2 P6 Pt2'
_chemical_formula_sum            'C22 H60 Al2 P6 Pt2'
_chemical_formula_weight         954.66
_chemical_melting_point          ?
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'
H H 0.0000 0.0000 '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'
P P 0.1023 0.0942 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Pt Pt -1.7033 8.3905 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'

_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.
;
_space_group_crystal_system      triclinic
_space_group_IT_number           2
_space_group_name_H-M_alt        'P -1'
_space_group_name_Hall           '-P 1'
loop_
_space_group_symop_operation_xyz
'x, y, z'
'-x, -y, -z'

_cell_length_a                   9.4084(3)
_cell_length_b                   9.6824(3)
_cell_length_c                   11.1418(4)
_cell_angle_alpha                103.209(2)
_cell_angle_beta                 107.622(2)
_cell_angle_gamma                105.478(2)
_cell_volume                     877.82(5)
_cell_formula_units_Z            1
_cell_measurement_reflns_used    9767
_cell_measurement_temperature    100.0(1)
_cell_measurement_theta_max      36.084
_cell_measurement_theta_min      8.45
_shelx_estimated_absorpt_T_max   0.317
_shelx_estimated_absorpt_T_min   0.263
_exptl_absorpt_coefficient_mu    8.294
_exptl_absorpt_correction_T_max  0.2716
_exptl_absorpt_correction_T_min  0.1921
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   
;
SADABS-2014/4 (Bruker,2014/4) was used for absorption correction.
wR2(int) was 0.0740 before and 0.0438 after correction.
The Ratio of minimum to maximum transmission is 0.7073.
The λ/2 correction factor is 0.00150.
;
_exptl_absorpt_special_details   ?
_exptl_crystal_colour            colourless
_exptl_crystal_colour_primary    colourless
_exptl_crystal_density_diffrn    1.806
_exptl_crystal_density_meas      ?
_exptl_crystal_density_method    ?
_exptl_crystal_description       block
_exptl_crystal_F_000             464
_exptl_crystal_size_max          0.22
_exptl_crystal_size_mid          0.2
_exptl_crystal_size_min          0.18
_exptl_transmission_factor_max   ?
_exptl_transmission_factor_min   ?
_diffrn_reflns_av_R_equivalents  0.0367
_diffrn_reflns_av_unetI/netI     0.0207
_diffrn_reflns_Laue_measured_fraction_full 1.000
_diffrn_reflns_Laue_measured_fraction_max 0.991
_diffrn_reflns_limit_h_max       16
_diffrn_reflns_limit_h_min       -16
_diffrn_reflns_limit_k_max       16
_diffrn_reflns_limit_k_min       -16
_diffrn_reflns_limit_l_max       19
_diffrn_reflns_limit_l_min       -19
_diffrn_reflns_number            85463
_diffrn_reflns_point_group_measured_fraction_full 1.000
_diffrn_reflns_point_group_measured_fraction_max 0.991
_diffrn_reflns_theta_full        25.242
_diffrn_reflns_theta_max         38.589
_diffrn_reflns_theta_min         2.318
_diffrn_ambient_temperature      100.0
_diffrn_detector_area_resol_mean ?
_diffrn_measured_fraction_theta_full 1.000
_diffrn_measured_fraction_theta_max 0.991
_diffrn_measurement_device_type  'Bruker APEX-II CCD'
_diffrn_measurement_method       'φ and ω scans'
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_source                   ?
_diffrn_source_current           30.0
_diffrn_source_power             1.5
_diffrn_source_voltage           50.0
_diffrn_standards_number         0
_reflns_Friedel_coverage         0.000
_reflns_Friedel_fraction_full    .
_reflns_Friedel_fraction_max     .
_reflns_number_gt                9154
_reflns_number_total             9849
_reflns_special_details          
;
 Reflections were merged by SHELXL according to the crystal
 class for the calculation of statistics and refinement.
 
 _reflns_Friedel_fraction is defined as the number of unique
 Friedel pairs measured divided by the number that would be
 possible theoretically, ignoring centric projections and
 systematic absences.
;
_reflns_threshold_expression     'I > 2σ(I)'
_computing_cell_refinement       'SAINT v8.34A (Bruker, 2013)'
_computing_data_collection       ?
_computing_data_reduction        'SAINT v8.34A (Bruker, 2013)'
_computing_molecular_graphics    'Olex2 1.3 (Dolomanov et al., 2009)'
_computing_publication_material  'Olex2 1.3 (Dolomanov et al., 2009)'
_computing_structure_refinement  'SHELXL 2018/3 (Sheldrick, 2015)'
_computing_structure_solution    'SHELXT 2014/5 (Sheldrick, 2014)'
_refine_diff_density_max         1.712
_refine_diff_density_min         -0.734
_refine_diff_density_rms         0.127
_refine_ls_extinction_coef       .
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.066
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     153
_refine_ls_number_reflns         9849
_refine_ls_number_restraints     0
_refine_ls_R_factor_all          0.0204
_refine_ls_R_factor_gt           0.0173
_refine_ls_restrained_S_all      1.066
_refine_ls_shift/su_max          0.004
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details     
'w=1/[σ²(Fo²)+(0.0194P)²+0.0324P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0367
_refine_ls_wR_factor_ref         0.0375
_refine_special_details          ?
_olex2_refinement_description    
;
1. Fixed Uiso
 At 1.2 times of:
  All C(H,H) groups
 At 1.5 times of:
  All C(H,H,H) groups
2.a Secondary CH2 refined with riding coordinates:
 C4(H4A,H4B), C7(H7A,H7B), C10(H10A,H10B)
2.b Idealised Me refined as rotating group:
 C11(H11A,H11B,H11C), C3(H3A,H3B,H3C), C2(H2A,H2B,H2C), C6(H6A,H6B,H6C),
 C5(H5A,H5B,H5C), C8(H8A,H8B,H8C), C9(H9A,H9B,H9C), C1(H1A,H1B,H1C)
;
_atom_sites_solution_hydrogens   geom
_atom_sites_solution_primary     dual
_atom_sites_solution_secondary   ?
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
_atom_site_refinement_flags_posn
_atom_site_refinement_flags_adp
_atom_site_refinement_flags_occupancy
_atom_site_disorder_assembly
_atom_site_disorder_group
Al1 Al 0.16782(5) 0.23526(5) 0.40305(4) 0.01284(7) Uani 1 1 d . . . . .
C4 C 0.32408(16) 0.22528(15) 0.56921(13) 0.0141(2) Uani 1 1 d . . . . .
H4A H 0.286648 0.119242 0.568543 0.017 Uiso 1 1 calc R U . . .
H4B H 0.428295 0.244730 0.559838 0.017 Uiso 1 1 calc R U . . .
C7 C 0.23368(17) 0.45001(15) 0.39617(14) 0.0164(2) Uani 1 1 d . . . . .
H7A H 0.151141 0.491863 0.406278 0.020 Uiso 1 1 calc R U . . .
H7B H 0.334901 0.513533 0.473932 0.020 Uiso 1 1 calc R U . . .
C10 C 0.18432(16) 0.09351(15) 0.24678(14) 0.0155(2) Uani 1 1 d . . . . .
H10A H 0.177249 -0.003730 0.263537 0.019 Uiso 1 1 calc R U . . .
H10B H 0.089326 0.071349 0.165778 0.019 Uiso 1 1 calc R U . . .
C11 C -0.05850(17) 0.15867(18) 0.38463(17) 0.0207(3) Uani 1 1 d . . . . .
H11A H -0.079428 0.066702 0.409484 0.031 Uiso 1 1 calc R U . . .
H11B H -0.129579 0.134603 0.291733 0.031 Uiso 1 1 calc R U . . .
H11C H -0.078117 0.236924 0.443606 0.031 Uiso 1 1 calc R U . . .
C3 C 0.4292(2) 0.25990(17) 0.85533(15) 0.0211(3) Uani 1 1 d . . . . .
H3A H 0.354587 0.155049 0.826302 0.032 Uiso 1 1 calc R U . . .
H3B H 0.433731 0.317826 0.941804 0.032 Uiso 1 1 calc R U . . .
H3C H 0.535994 0.259525 0.864262 0.032 Uiso 1 1 calc R U . . .
C2 C 0.16079(18) 0.31811(18) 0.73152(17) 0.0213(3) Uani 1 1 d . . . . .
H2A H 0.105722 0.362918 0.670498 0.032 Uiso 1 1 calc R U . . .
H2B H 0.169265 0.366655 0.822104 0.032 Uiso 1 1 calc R U . . .
H2C H 0.099997 0.208720 0.701867 0.032 Uiso 1 1 calc R U . . .
C6 C 0.24718(17) 0.65329(16) 0.24410(16) 0.0193(3) Uani 1 1 d . . . . .
H6A H 0.152884 0.661431 0.261010 0.029 Uiso 1 1 calc R U . . .
H6B H 0.237447 0.661507 0.156143 0.029 Uiso 1 1 calc R U . . .
H6C H 0.343541 0.735444 0.313255 0.029 Uiso 1 1 calc R U . . .
C5 C 0.07031(17) 0.35083(17) 0.10718(16) 0.0205(3) Uani 1 1 d . . . . .
H5A H 0.058515 0.243441 0.086927 0.031 Uiso 1 1 calc R U . . .
H5B H 0.068211 0.380518 0.028444 0.031 Uiso 1 1 calc R U . . .
H5C H -0.017850 0.365646 0.131187 0.031 Uiso 1 1 calc R U . . .
C8 C 0.30961(18) 0.01784(17) 0.04582(15) 0.0202(3) Uani 1 1 d . . . . .
H8A H 0.282266 -0.085162 0.050741 0.030 Uiso 1 1 calc R U . . .
H8B H 0.402006 0.041021 0.020388 0.030 Uiso 1 1 calc R U . . .
H8C H 0.218223 0.024178 -0.021142 0.030 Uiso 1 1 calc R U . . .
C9 C 0.50284(18) 0.10346(17) 0.32406(16) 0.0195(2) Uani 1 1 d . . . . .
H9A H 0.540434 0.174514 0.415046 0.029 Uiso 1 1 calc R U . . .
H9B H 0.593921 0.108513 0.297636 0.029 Uiso 1 1 calc R U . . .
H9C H 0.451543 -0.000232 0.321331 0.029 Uiso 1 1 calc R U . . .
C1 C 0.33626(17) 0.66225(16) 0.80223(16) 0.0181(2) Uani 1 1 d . . . . .
H1A H 0.250645 0.634940 0.714851 0.027 Uiso 1 1 calc R U . . .
H1B H 0.377101 0.772618 0.847266 0.027 Uiso 1 1 calc R U . . .
H1C H 0.294115 0.610428 0.856930 0.027 Uiso 1 1 calc R U . . .
P1 P 0.36105(4) 0.34801(4) 0.73168(4) 0.01302(6) Uani 1 1 d . . . . .
P2 P 0.26152(4) 0.46865(4) 0.24767(4) 0.01267(5) Uani 1 1 d . . . . .
P3 P 0.35872(4) 0.15483(4) 0.20891(4) 0.01299(6) Uani 1 1 d . . . . .
Pt1 Pt 0.52388(2) 0.59485(2) 0.77554(2) 0.01108(1) Uani 1 1 d . . . . .


_geom_special_details            
;
 All esds (except the esd in the dihedral angle between two l.s. planes)
 are estimated using the full covariance matrix.  The cell esds are taken
 into account individually in the estimation of esds in distances, angles
 and torsion angles; correlations between esds in cell parameters are only
 used when they are defined by crystal symmetry.  An approximate (isotropic)
 treatment of cell esds is used for estimating esds involving l.s. planes.
;
loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_site_symmetry_2
_geom_bond_publ_flag
Al1 C4 2.0267(14) . ?
Al1 C7 2.0315(14) . ?
Al1 C10 2.0310(15) . ?
Al1 C11 1.9873(15) . ?
C4 H4A 0.9900 . ?
C4 H4B 0.9900 . ?
C4 P1 1.7959(14) . ?
C7 H7A 0.9900 . ?
C7 H7B 0.9900 . ?
C7 P2 1.7923(14) . ?
C10 H10A 0.9900 . ?
C10 H10B 0.9900 . ?
C10 P3 1.7991(14) . ?
C11 H11A 0.9800 . ?
C11 H11B 0.9800 . ?
C11 H11C 0.9800 . ?
C3 H3A 0.9800 . ?
C3 H3B 0.9800 . ?
C3 H3C 0.9800 . ?
C3 P1 1.8251(15) . ?
C2 H2A 0.9800 . ?
C2 H2B 0.9800 . ?
C2 H2C 0.9800 . ?
C2 P1 1.8277(15) . ?
C6 H6A 0.9800 . ?
C6 H6B 0.9800 . ?
C6 H6C 0.9800 . ?
C6 P2 1.8368(14) . ?
C5 H5A 0.9800 . ?
C5 H5B 0.9800 . ?
C5 H5C 0.9800 . ?
C5 P2 1.8362(15) . ?
C8 H8A 0.9800 . ?
C8 H8B 0.9800 . ?
C8 H8C 0.9800 . ?
C8 P3 1.8269(15) . ?
C9 H9A 0.9800 . ?
C9 H9B 0.9800 . ?
C9 H9C 0.9800 . ?
C9 P3 1.8249(15) . ?
C1 H1A 0.9800 . ?
C1 H1B 0.9800 . ?
C1 H1C 0.9800 . ?
C1 Pt1 2.1152(13) . ?
P1 Pt1 2.3144(3) . ?
P2 Pt1 2.3297(3) 2_666 ?
P3 Pt1 2.3211(3) 2_666 ?

loop_
_geom_angle_atom_site_label_1
_geom_angle_atom_site_label_2
_geom_angle_atom_site_label_3
_geom_angle
_geom_angle_site_symmetry_1
_geom_angle_site_symmetry_3
_geom_angle_publ_flag
C4 Al1 C7 110.27(6) . . ?
C4 Al1 C10 105.35(6) . . ?
C10 Al1 C7 109.10(6) . . ?
C11 Al1 C4 113.54(6) . . ?
C11 Al1 C7 111.32(6) . . ?
C11 Al1 C10 106.95(6) . . ?
Al1 C4 H4A 107.3 . . ?
Al1 C4 H4B 107.3 . . ?
H4A C4 H4B 106.9 . . ?
P1 C4 Al1 120.13(7) . . ?
P1 C4 H4A 107.3 . . ?
P1 C4 H4B 107.3 . . ?
Al1 C7 H7A 108.3 . . ?
Al1 C7 H7B 108.3 . . ?
H7A C7 H7B 107.4 . . ?
P2 C7 Al1 115.98(7) . . ?
P2 C7 H7A 108.3 . . ?
P2 C7 H7B 108.3 . . ?
Al1 C10 H10A 107.7 . . ?
Al1 C10 H10B 107.7 . . ?
H10A C10 H10B 107.1 . . ?
P3 C10 Al1 118.43(7) . . ?
P3 C10 H10A 107.7 . . ?
P3 C10 H10B 107.7 . . ?
Al1 C11 H11A 109.5 . . ?
Al1 C11 H11B 109.5 . . ?
Al1 C11 H11C 109.5 . . ?
H11A C11 H11B 109.5 . . ?
H11A C11 H11C 109.5 . . ?
H11B C11 H11C 109.5 . . ?
H3A C3 H3B 109.5 . . ?
H3A C3 H3C 109.5 . . ?
H3B C3 H3C 109.5 . . ?
P1 C3 H3A 109.5 . . ?
P1 C3 H3B 109.5 . . ?
P1 C3 H3C 109.5 . . ?
H2A C2 H2B 109.5 . . ?
H2A C2 H2C 109.5 . . ?
H2B C2 H2C 109.5 . . ?
P1 C2 H2A 109.5 . . ?
P1 C2 H2B 109.5 . . ?
P1 C2 H2C 109.5 . . ?
H6A C6 H6B 109.5 . . ?
H6A C6 H6C 109.5 . . ?
H6B C6 H6C 109.5 . . ?
P2 C6 H6A 109.5 . . ?
P2 C6 H6B 109.5 . . ?
P2 C6 H6C 109.5 . . ?
H5A C5 H5B 109.5 . . ?
H5A C5 H5C 109.5 . . ?
H5B C5 H5C 109.5 . . ?
P2 C5 H5A 109.5 . . ?
P2 C5 H5B 109.5 . . ?
P2 C5 H5C 109.5 . . ?
H8A C8 H8B 109.5 . . ?
H8A C8 H8C 109.5 . . ?
H8B C8 H8C 109.5 . . ?
P3 C8 H8A 109.5 . . ?
P3 C8 H8B 109.5 . . ?
P3 C8 H8C 109.5 . . ?
H9A C9 H9B 109.5 . . ?
H9A C9 H9C 109.5 . . ?
H9B C9 H9C 109.5 . . ?
P3 C9 H9A 109.5 . . ?
P3 C9 H9B 109.5 . . ?
P3 C9 H9C 109.5 . . ?
H1A C1 H1B 109.5 . . ?
H1A C1 H1C 109.5 . . ?
H1B C1 H1C 109.5 . . ?
Pt1 C1 H1A 109.5 . . ?
Pt1 C1 H1B 109.5 . . ?
Pt1 C1 H1C 109.5 . . ?
C4 P1 C3 108.89(7) . . ?
C4 P1 C2 103.65(7) . . ?
C4 P1 Pt1 111.71(4) . . ?
C3 P1 C2 98.04(8) . . ?
C3 P1 Pt1 115.74(5) . . ?
C2 P1 Pt1 117.39(5) . . ?
C7 P2 C6 104.92(7) . . ?
C7 P2 C5 106.52(7) . . ?
C7 P2 Pt1 112.56(5) . 2_666 ?
C6 P2 Pt1 121.45(5) . 2_666 ?
C5 P2 C6 96.36(7) . . ?
C5 P2 Pt1 113.09(5) . 2_666 ?
C10 P3 C8 104.76(7) . . ?
C10 P3 C9 102.40(7) . . ?
C10 P3 Pt1 121.91(5) . 2_666 ?
C8 P3 Pt1 113.04(5) . 2_666 ?
C9 P3 C8 103.38(7) . . ?
C9 P3 Pt1 109.40(5) . 2_666 ?
C1 Pt1 P1 87.05(4) . . ?
C1 Pt1 P2 177.47(4) . 2_666 ?
C1 Pt1 P3 84.91(4) . 2_666 ?
P1 Pt1 P2 95.235(12) . 2_666 ?
P1 Pt1 P3 168.543(12) . 2_666 ?
P3 Pt1 P2 92.982(12) 2_666 2_666 ?

loop_
_geom_torsion_atom_site_label_1
_geom_torsion_atom_site_label_2
_geom_torsion_atom_site_label_3
_geom_torsion_atom_site_label_4
_geom_torsion
_geom_torsion_site_symmetry_1
_geom_torsion_site_symmetry_2
_geom_torsion_site_symmetry_3
_geom_torsion_site_symmetry_4
_geom_torsion_publ_flag
Al1 C4 P1 C3 155.06(8) . . . . ?
Al1 C4 P1 C2 51.45(9) . . . . ?
Al1 C4 P1 Pt1 -75.87(8) . . . . ?
Al1 C7 P2 C6 160.19(8) . . . . ?
Al1 C7 P2 C5 58.73(9) . . . . ?
Al1 C7 P2 Pt1 -65.75(8) . . . 2_666 ?
Al1 C10 P3 C8 -168.56(8) . . . . ?
Al1 C10 P3 C9 83.81(9) . . . . ?
Al1 C10 P3 Pt1 -38.71(10) . . . 2_666 ?

_olex2_submission_special_instructions 'No special instructions were received'
####################################################################### 
# 
# 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_RhClcodPAl
_database_code_depnum_ccdc_archive 'CCDC 2184240'
loop_
_audit_author_name
_audit_author_address
'Katarina Paskaruk'
;McMaster University
Canada
;
_audit_update_record             
;
2022-07-05 deposited with the CCDC.	2022-09-14 downloaded from the CCDC.
;
_audit_creation_date             2022-07-05
_audit_creation_method           
;
Olex2 1.3
(compiled 2020.11.12 svn.r5f609507 for OlexSys, GUI svn.r6272)
;
_shelx_SHELXL_version_number     2018/3
_chemical_name_common            ?
_chemical_name_systematic        ?
_chemical_formula_moiety         
'C12.921 H25.764 Al Cl1.079 P Rh, C12.36 H24.079 Al Cl1.64 P Rh'
_chemical_formula_sum            'C25.28 H49.84 Al2 Cl2.72 P2 Rh2'
_chemical_formula_weight         772.00
_chemical_melting_point          ?
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'
H H 0.0000 0.0000 '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'
P P 0.1023 0.0942 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Rh Rh -1.1178 0.9187 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'

_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.
;
_space_group_crystal_system      triclinic
_space_group_IT_number           2
_space_group_name_H-M_alt        'P -1'
_space_group_name_Hall           '-P 1'
loop_
_space_group_symop_operation_xyz
'x, y, z'
'-x, -y, -z'

_cell_length_a                   11.2567(4)
_cell_length_b                   12.8343(5)
_cell_length_c                   13.1652(5)
_cell_angle_alpha                71.297(2)
_cell_angle_beta                 66.453(2)
_cell_angle_gamma                75.357(2)
_cell_volume                     1634.44(11)
_cell_formula_units_Z            2
_cell_measurement_reflns_used    9403
_cell_measurement_temperature    100.0(1)
_cell_measurement_theta_max      33.36
_cell_measurement_theta_min      2.71
_shelx_estimated_absorpt_T_max   0.850
_shelx_estimated_absorpt_T_min   0.713
_exptl_absorpt_coefficient_mu    1.398
_exptl_absorpt_correction_T_max  0.7465
_exptl_absorpt_correction_T_min  0.6928
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   
;
SADABS-2014/4 (Bruker,2014/4) was used for absorption correction.
wR2(int) was 0.0383 before and 0.0293 after correction.
The Ratio of minimum to maximum transmission is 0.9281.
The λ/2 correction factor is 0.00150.
;
_exptl_absorpt_special_details   ?
_exptl_crystal_colour            yellow
_exptl_crystal_colour_primary    yellow
_exptl_crystal_density_diffrn    1.569
_exptl_crystal_density_meas      ?
_exptl_crystal_density_method    ?
_exptl_crystal_description       block
_exptl_crystal_F_000             788
_exptl_crystal_size_max          0.26
_exptl_crystal_size_mid          0.14
_exptl_crystal_size_min          0.12
_exptl_transmission_factor_max   ?
_exptl_transmission_factor_min   ?
_diffrn_reflns_av_R_equivalents  0.0194
_diffrn_reflns_av_unetI/netI     0.0108
_diffrn_reflns_Laue_measured_fraction_full 1.000
_diffrn_reflns_Laue_measured_fraction_max 0.994
_diffrn_reflns_limit_h_max       17
_diffrn_reflns_limit_h_min       -17
_diffrn_reflns_limit_k_max       19
_diffrn_reflns_limit_k_min       -19
_diffrn_reflns_limit_l_max       20
_diffrn_reflns_limit_l_min       -20
_diffrn_reflns_number            99188
_diffrn_reflns_point_group_measured_fraction_full 1.000
_diffrn_reflns_point_group_measured_fraction_max 0.994
_diffrn_reflns_theta_full        25.242
_diffrn_reflns_theta_max         33.366
_diffrn_reflns_theta_min         1.693
_diffrn_ambient_temperature      100.00(10)
_diffrn_detector_area_resol_mean ?
_diffrn_measured_fraction_theta_full 1.000
_diffrn_measured_fraction_theta_max 0.994
_diffrn_measurement_device_type  'Bruker APEX-II CCD'
_diffrn_measurement_method       'φ and ω scans'
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_source                   ?
_reflns_Friedel_coverage         0.000
_reflns_Friedel_fraction_full    .
_reflns_Friedel_fraction_max     .
_reflns_number_gt                11699
_reflns_number_total             12623
_reflns_special_details          
;
 Reflections were merged by SHELXL according to the crystal
 class for the calculation of statistics and refinement.
 
 _reflns_Friedel_fraction is defined as the number of unique
 Friedel pairs measured divided by the number that would be
 possible theoretically, ignoring centric projections and
 systematic absences.
;
_reflns_threshold_expression     'I > 2σ(I)'
_computing_cell_refinement       'SAINT v8.34A (Bruker, 2013)'
_computing_data_collection       ?
_computing_data_reduction        'SAINT v8.34A (Bruker, 2013)'
_computing_molecular_graphics    'Olex2 1.3 (Dolomanov et al., 2009)'
_computing_publication_material  'Olex2 1.3 (Dolomanov et al., 2009)'
_computing_structure_refinement  'XL  (Sheldrick, 2008)'
_computing_structure_solution    'SHELXT 2014/5 (Sheldrick, 2014)'
_refine_diff_density_max         0.955
_refine_diff_density_min         -0.481
_refine_diff_density_rms         0.072
_refine_ls_extinction_coef       .
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.059
_refine_ls_hydrogen_treatment    mixed
_refine_ls_matrix_type           full
_refine_ls_number_parameters     331
_refine_ls_number_reflns         12623
_refine_ls_number_restraints     7
_refine_ls_R_factor_all          0.0189
_refine_ls_R_factor_gt           0.0168
_refine_ls_restrained_S_all      1.059
_refine_ls_shift/su_max          0.003
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details     
'w=1/[σ²(Fo²)+(0.0253P)²+0.5609P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0444
_refine_ls_wR_factor_ref         0.0451
_refine_special_details          ?
_olex2_refinement_description    
;
1. Restrained distances
 Al2-C17 \\sim Al2-C26 \\sim Al1-C4 \\sim Al1-C5
 with sigma of 0.02
 Cl4-Al1 \\sim Cl3-Al2
 with sigma of 0.02
2. Uiso/Uaniso restraints and constraints
Uanis(C26) = Uanis(Cl3)
Uanis(C4) = Uanis(Cl4)
3. Others
 Sof(C26)=Sof(HW)=Sof(HX)=Sof(HY)=1-FVAR(1)
 Sof(Cl3)=FVAR(1)
 Sof(Cl4)=1-FVAR(2)
 Sof(C4)=Sof(H4A)=Sof(H4B)=Sof(H4C)=FVAR(2)
4.a Ternary CH refined with riding coordinates:
 C6(H6), C7(H7), C11(H11), C18(HK), C19(HL), C23(HR)
4.b Secondary CH2 refined with riding coordinates:
 C3(H3A,H3B), C8(H8A,H8B), C9(H9A,H9B), C12(H12A,H12B), C13(H13A,H13B), C16(HF,
 HG), C20(HM,HN), C21(HO,HP), C24(HS,HT), C25(HU,HV)
4.c Idealised Me refined as rotating group:
 C1(H1A,H1B,H1C), C2(H2A,H2B,H2C), C4(H4A,H4B,H4C), C5(H5A,H5B,H5C), C14(H,HA,
 HB), C15(HC,HD,HE), C17(HH,HI,HJ), C26(HW,HX,HY)
;
_atom_sites_solution_hydrogens   mixed
_atom_sites_solution_primary     ?
_atom_sites_solution_secondary   ?
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
_atom_site_refinement_flags_posn
_atom_site_refinement_flags_adp
_atom_site_refinement_flags_occupancy
_atom_site_disorder_assembly
_atom_site_disorder_group
Rh1 Rh 0.95169(2) 0.26340(2) 0.39423(2) 0.01167(2) Uani 1 1 d . . . . .
Cl1 Cl 0.72696(2) 0.27727(2) 0.52299(2) 0.01686(4) Uani 1 1 d . . . . .
Cl4 Cl 0.4934(17) 0.1754(14) 0.4888(17) 0.0241(6) Uani 0.079(2) 1 d D . P A 2
P1 P 0.90714(2) 0.12883(2) 0.33960(2) 0.01270(4) Uani 1 1 d . . . . .
Al1 Al 0.64458(3) 0.11474(3) 0.55517(3) 0.01544(5) Uani 1 1 d D . . . .
C1 C 1.04285(11) 0.04236(10) 0.25778(10) 0.0219(2) Uani 1 1 d . . . . .
H1A H 1.092558 -0.005952 0.306217 0.033 Uiso 1 1 calc R U . . .
H1B H 1.100360 0.089898 0.191430 0.033 Uiso 1 1 calc R U . . .
H1C H 1.008611 -0.003363 0.231682 0.033 Uiso 1 1 calc R U . . .
C2 C 0.80938(11) 0.19072(9) 0.24726(9) 0.02032(18) Uani 1 1 d . . . . .
H2A H 0.781824 0.131727 0.233063 0.030 Uiso 1 1 calc R U . . .
H2B H 0.861896 0.235121 0.174439 0.030 Uiso 1 1 calc R U . . .
H2C H 0.731907 0.238578 0.284678 0.030 Uiso 1 1 calc R U . . .
C3 C 0.80845(10) 0.03550(8) 0.45999(9) 0.01588(16) Uani 1 1 d . . . . .
H3A H 0.860823 -0.009108 0.508571 0.019 Uiso 1 1 calc R U . . .
H3B H 0.784275 -0.016336 0.432069 0.019 Uiso 1 1 calc R U . . .
C4 C 0.5018(5) 0.1587(4) 0.4916(6) 0.0241(6) Uani 0.921(2) 1 d D . P A 1
H4A H 0.490544 0.239421 0.460454 0.036 Uiso 0.921(2) 1 calc R U P A 1
H4B H 0.420227 0.136903 0.552278 0.036 Uiso 0.921(2) 1 calc R U P A 1
H4C H 0.524007 0.121523 0.430591 0.036 Uiso 0.921(2) 1 calc R U P A 1
C5 C 0.59328(11) 0.05382(9) 0.72282(9) 0.02152(19) Uani 1 1 d D . . . .
H5A H 0.672066 0.024012 0.743413 0.032 Uiso 1 1 calc R U . . .
H5B H 0.540620 -0.005716 0.746665 0.032 Uiso 1 1 calc R U . . .
H5C H 0.541774 0.113021 0.761366 0.032 Uiso 1 1 calc R U . . .
C6 C 1.10540(10) 0.30501(9) 0.23801(8) 0.01683(16) Uani 1 1 d . . . . .
H6 H 1.107698 0.273217 0.177024 0.020 Uiso 1 1 calc R U . . .
C7 C 1.15795(10) 0.22842(9) 0.31941(9) 0.01696(16) Uani 1 1 d . . . . .
H7 H 1.190003 0.152302 0.305693 0.020 Uiso 1 1 calc R U . . .
C8 C 1.23220(11) 0.26088(10) 0.37683(10) 0.02242(19) Uani 1 1 d . . . . .
H8A H 1.275434 0.326101 0.324550 0.027 Uiso 1 1 calc R U . . .
H8B H 1.301455 0.198762 0.390254 0.027 Uiso 1 1 calc R U . . .
C9 C 1.14301(12) 0.28920(10) 0.49170(10) 0.0226(2) Uani 1 1 d . . . . .
H9A H 1.137883 0.220161 0.553771 0.027 Uiso 1 1 calc R U . . .
H9B H 1.183206 0.340365 0.506735 0.027 Uiso 1 1 calc R U . . .
C10 C 1.00596(11) 0.34230(9) 0.49475(9) 0.01831(17) Uani 1 1 d . . . . .
H10 H 0.9405(16) 0.3273(14) 0.5664(14) 0.023(4) Uiso 1 1 d . . . . .
C11 C 0.97446(11) 0.42663(8) 0.40938(9) 0.01869(17) Uani 1 1 d . . . . .
H11 H 0.890039 0.475773 0.436807 0.022 Uiso 1 1 calc R U . . .
C12 C 1.07463(12) 0.48281(9) 0.30085(10) 0.0235(2) Uani 1 1 d . . . . .
H12A H 1.155153 0.478773 0.316139 0.028 Uiso 1 1 calc R U . . .
H12B H 1.039645 0.562275 0.278129 0.028 Uiso 1 1 calc R U . . .
C13 C 1.10973(12) 0.42890(9) 0.20103(9) 0.02198(19) Uani 1 1 d . . . . .
H13A H 1.048077 0.465671 0.159229 0.026 Uiso 1 1 calc R U . . .
H13B H 1.198824 0.442613 0.147245 0.026 Uiso 1 1 calc R U . . .
Rh2 Rh 0.52350(2) 0.71650(2) 0.09490(2) 0.01079(2) Uani 1 1 d . . . . .
Cl2 Cl 0.69813(2) 0.82816(2) 0.02174(2) 0.01588(4) Uani 1 1 d . . . . .
Cl3 Cl 0.99128(10) 0.70292(7) 0.06361(11) 0.02873(19) Uani 0.640(3) 1 d D . P B
1
P2 P 0.61980(2) 0.59545(2) 0.22145(2) 0.01289(4) Uani 1 1 d . . . . .
Al2 Al 0.79919(3) 0.77837(3) 0.15362(3) 0.01699(6) Uani 1 1 d D . . . .
C14 C 0.75846(11) 0.50382(9) 0.14894(10) 0.01978(18) Uani 1 1 d . . . . .
H H 0.817926 0.548565 0.081342 0.030 Uiso 1 1 calc R U . . .
HA H 0.726658 0.454205 0.125387 0.030 Uiso 1 1 calc R U . . .
HB H 0.805242 0.459510 0.201152 0.030 Uiso 1 1 calc R U . . .
C15 C 0.52559(11) 0.49584(9) 0.34283(9) 0.01998(18) Uani 1 1 d . . . . .
HC H 0.582816 0.445423 0.383325 0.030 Uiso 1 1 calc R U . . .
HD H 0.489511 0.452825 0.315291 0.030 Uiso 1 1 calc R U . . .
HE H 0.453862 0.535805 0.395014 0.030 Uiso 1 1 calc R U . . .
C16 C 0.69089(10) 0.66616(8) 0.27645(9) 0.01689(16) Uani 1 1 d . . . . .
HF H 0.746377 0.610730 0.317042 0.020 Uiso 1 1 calc R U . . .
HG H 0.619950 0.703875 0.332556 0.020 Uiso 1 1 calc R U . . .
C17 C 0.79975(15) 0.91323(11) 0.19286(12) 0.0306(3) Uani 1 1 d D . . . .
HH H 0.858997 0.959871 0.127138 0.046 Uiso 1 1 calc R U . . .
HI H 0.829556 0.892682 0.258116 0.046 Uiso 1 1 calc R U . . .
HJ H 0.710984 0.954534 0.212945 0.046 Uiso 1 1 calc R U . . .
C18 C 0.33456(9) 0.67463(8) 0.19573(8) 0.01350(15) Uani 1 1 d . . . . .
HK H 0.324463 0.635299 0.277090 0.016 Uiso 1 1 calc R U . . .
C19 C 0.39875(9) 0.60562(7) 0.11881(8) 0.01286(14) Uani 1 1 d . . . . .
HL H 0.425618 0.526888 0.156172 0.015 Uiso 1 1 calc R U . . .
C20 C 0.36805(9) 0.61835(8) 0.01216(8) 0.01457(15) Uani 1 1 d . . . . .
HM H 0.275054 0.650725 0.025239 0.017 Uiso 1 1 calc R U . . .
HN H 0.380564 0.543968 -0.001020 0.017 Uiso 1 1 calc R U . . .
C21 C 0.45522(10) 0.69294(8) -0.09552(8) 0.01654(16) Uani 1 1 d . . . . .
HO H 0.536496 0.646275 -0.131666 0.020 Uiso 1 1 calc R U . . .
HP H 0.408630 0.725530 -0.150879 0.020 Uiso 1 1 calc R U . . .
C22 C 0.49141(10) 0.78587(8) -0.07135(8) 0.01468(15) Uani 1 1 d . . . . .
HQ H 0.5764(15) 0.8089(13) -0.1237(13) 0.017(3) Uiso 1 1 d . . . . .
C23 C 0.40735(10) 0.85411(8) -0.00148(8) 0.01560(16) Uani 1 1 d . . . . .
HR H 0.432668 0.929534 -0.022358 0.019 Uiso 1 1 calc R U . . .
C24 C 0.26223(10) 0.84906(8) 0.05940(9) 0.01752(17) Uani 1 1 d . . . . .
HS H 0.229978 0.819580 0.015779 0.021 Uiso 1 1 calc R U . . .
HT H 0.215177 0.925146 0.061823 0.021 Uiso 1 1 calc R U . . .
C25 C 0.23164(10) 0.77495(8) 0.18241(9) 0.01725(17) Uani 1 1 d . . . . .
HU H 0.222831 0.820277 0.234008 0.021 Uiso 1 1 calc R U . . .
HV H 0.146403 0.749092 0.206869 0.021 Uiso 1 1 calc R U . . .
C26 C 0.9806(9) 0.7221(8) 0.0610(10) 0.02873(19) Uani 0.360(3) 1 d D . P B 2
HW H 0.976891 0.664433 0.028837 0.043 Uiso 0.360(3) 1 calc R U P B 2
HX H 1.033910 0.690797 0.110085 0.043 Uiso 0.360(3) 1 calc R U P B 2
HY H 1.019734 0.783601 -0.001163 0.043 Uiso 0.360(3) 1 calc R U P B 2


_geom_special_details            
;
 All esds (except the esd in the dihedral angle between two l.s. planes)
 are estimated using the full covariance matrix.  The cell esds are taken
 into account individually in the estimation of esds in distances, angles
 and torsion angles; correlations between esds in cell parameters are only
 used when they are defined by crystal symmetry.  An approximate (isotropic)
 treatment of cell esds is used for estimating esds involving l.s. planes.
;
loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_site_symmetry_2
_geom_bond_publ_flag
Rh1 Cl1 2.4175(3) . ?
Rh1 P1 2.2967(3) . ?
Rh1 C6 2.1043(10) . ?
Rh1 C7 2.1193(10) . ?
Rh1 C10 2.2288(10) . ?
Rh1 C11 2.2526(10) . ?
Cl1 Al1 2.3427(4) . ?
Cl4 Al1 2.085(13) . ?
P1 C1 1.8222(10) . ?
P1 C2 1.8241(11) . ?
P1 C3 1.7971(10) . ?
Al1 C3 2.0073(10) . ?
Al1 C4 1.978(4) . ?
Al1 C5 1.9797(11) . ?
C1 H1A 0.9800 . ?
C1 H1B 0.9800 . ?
C1 H1C 0.9800 . ?
C2 H2A 0.9800 . ?
C2 H2B 0.9800 . ?
C2 H2C 0.9800 . ?
C3 H3A 0.9900 . ?
C3 H3B 0.9900 . ?
C4 H4A 0.9800 . ?
C4 H4B 0.9800 . ?
C4 H4C 0.9800 . ?
C5 H5A 0.9800 . ?
C5 H5B 0.9800 . ?
C5 H5C 0.9800 . ?
C6 H6 1.0000 . ?
C6 C7 1.4148(14) . ?
C6 C13 1.5138(15) . ?
C7 H7 1.0000 . ?
C7 C8 1.5253(15) . ?
C8 H8A 0.9900 . ?
C8 H8B 0.9900 . ?
C8 C9 1.5433(17) . ?
C9 H9A 0.9900 . ?
C9 H9B 0.9900 . ?
C9 C10 1.5109(16) . ?
C10 H10 0.932(17) . ?
C10 C11 1.3801(15) . ?
C11 H11 1.0000 . ?
C11 C12 1.5153(16) . ?
C12 H12A 0.9900 . ?
C12 H12B 0.9900 . ?
C12 C13 1.5466(17) . ?
C13 H13A 0.9900 . ?
C13 H13B 0.9900 . ?
Rh2 Cl2 2.4231(2) . ?
Rh2 P2 2.3013(3) . ?
Rh2 C18 2.1069(9) . ?
Rh2 C19 2.1134(9) . ?
Rh2 C22 2.2211(9) . ?
Rh2 C23 2.2714(9) . ?
Cl2 Al2 2.2839(4) . ?
Cl3 Al2 2.1558(10) . ?
P2 C14 1.8253(11) . ?
P2 C15 1.8259(11) . ?
P2 C16 1.8000(10) . ?
Al2 C16 1.9986(11) . ?
Al2 C17 1.9606(12) . ?
Al2 C26 2.002(9) . ?
C14 H 0.9800 . ?
C14 HA 0.9800 . ?
C14 HB 0.9800 . ?
C15 HC 0.9800 . ?
C15 HD 0.9800 . ?
C15 HE 0.9800 . ?
C16 HF 0.9900 . ?
C16 HG 0.9900 . ?
C17 HH 0.9800 . ?
C17 HI 0.9800 . ?
C17 HJ 0.9800 . ?
C18 HK 1.0000 . ?
C18 C19 1.4139(13) . ?
C18 C25 1.5146(14) . ?
C19 HL 1.0000 . ?
C19 C20 1.5262(13) . ?
C20 HM 0.9900 . ?
C20 HN 0.9900 . ?
C20 C21 1.5434(14) . ?
C21 HO 0.9900 . ?
C21 HP 0.9900 . ?
C21 C22 1.5108(14) . ?
C22 HQ 0.981(15) . ?
C22 C23 1.3824(14) . ?
C23 HR 1.0000 . ?
C23 C24 1.5131(14) . ?
C24 HS 0.9900 . ?
C24 HT 0.9900 . ?
C24 C25 1.5421(15) . ?
C25 HU 0.9900 . ?
C25 HV 0.9900 . ?
C26 HW 0.9800 . ?
C26 HX 0.9800 . ?
C26 HY 0.9800 . ?

loop_
_geom_angle_atom_site_label_1
_geom_angle_atom_site_label_2
_geom_angle_atom_site_label_3
_geom_angle
_geom_angle_site_symmetry_1
_geom_angle_site_symmetry_3
_geom_angle_publ_flag
P1 Rh1 Cl1 87.611(9) . . ?
C6 Rh1 Cl1 154.95(3) . . ?
C6 Rh1 P1 92.41(3) . . ?
C6 Rh1 C7 39.14(4) . . ?
C6 Rh1 C10 97.68(4) . . ?
C6 Rh1 C11 81.72(4) . . ?
C7 Rh1 Cl1 165.66(3) . . ?
C7 Rh1 P1 95.40(3) . . ?
C7 Rh1 C10 81.95(4) . . ?
C7 Rh1 C11 89.38(4) . . ?
C10 Rh1 Cl1 90.42(3) . . ?
C10 Rh1 P1 159.97(3) . . ?
C10 Rh1 C11 35.87(4) . . ?
C11 Rh1 Cl1 91.51(3) . . ?
C11 Rh1 P1 164.07(3) . . ?
Al1 Cl1 Rh1 108.737(12) . . ?
C1 P1 Rh1 118.99(4) . . ?
C1 P1 C2 103.00(5) . . ?
C2 P1 Rh1 110.74(4) . . ?
C3 P1 Rh1 111.65(3) . . ?
C3 P1 C1 106.52(5) . . ?
C3 P1 C2 104.71(5) . . ?
Cl4 Al1 Cl1 102.1(5) . . ?
C3 Al1 Cl1 97.60(3) . . ?
C3 Al1 Cl4 116.3(6) . . ?
C4 Al1 Cl1 106.92(15) . . ?
C4 Al1 C3 113.43(19) . . ?
C4 Al1 C5 116.4(2) . . ?
C5 Al1 Cl1 103.61(4) . . ?
C5 Al1 Cl4 116.8(6) . . ?
C5 Al1 C3 116.00(5) . . ?
P1 C1 H1A 109.5 . . ?
P1 C1 H1B 109.5 . . ?
P1 C1 H1C 109.5 . . ?
H1A C1 H1B 109.5 . . ?
H1A C1 H1C 109.5 . . ?
H1B C1 H1C 109.5 . . ?
P1 C2 H2A 109.5 . . ?
P1 C2 H2B 109.5 . . ?
P1 C2 H2C 109.5 . . ?
H2A C2 H2B 109.5 . . ?
H2A C2 H2C 109.5 . . ?
H2B C2 H2C 109.5 . . ?
P1 C3 Al1 112.86(5) . . ?
P1 C3 H3A 109.0 . . ?
P1 C3 H3B 109.0 . . ?
Al1 C3 H3A 109.0 . . ?
Al1 C3 H3B 109.0 . . ?
H3A C3 H3B 107.8 . . ?
Al1 C4 H4A 109.5 . . ?
Al1 C4 H4B 109.5 . . ?
Al1 C4 H4C 109.5 . . ?
H4A C4 H4B 109.5 . . ?
H4A C4 H4C 109.5 . . ?
H4B C4 H4C 109.5 . . ?
Al1 C5 H5A 109.5 . . ?
Al1 C5 H5B 109.5 . . ?
Al1 C5 H5C 109.5 . . ?
H5A C5 H5B 109.5 . . ?
H5A C5 H5C 109.5 . . ?
H5B C5 H5C 109.5 . . ?
Rh1 C6 H6 114.1 . . ?
C7 C6 Rh1 71.00(6) . . ?
C7 C6 H6 114.1 . . ?
C7 C6 C13 124.88(9) . . ?
C13 C6 Rh1 110.74(7) . . ?
C13 C6 H6 114.1 . . ?
Rh1 C7 H7 114.1 . . ?
C6 C7 Rh1 69.86(6) . . ?
C6 C7 H7 114.1 . . ?
C6 C7 C8 123.49(9) . . ?
C8 C7 Rh1 113.52(7) . . ?
C8 C7 H7 114.1 . . ?
C7 C8 H8A 109.0 . . ?
C7 C8 H8B 109.0 . . ?
C7 C8 C9 112.97(9) . . ?
H8A C8 H8B 107.8 . . ?
C9 C8 H8A 109.0 . . ?
C9 C8 H8B 109.0 . . ?
C8 C9 H9A 108.9 . . ?
C8 C9 H9B 108.9 . . ?
H9A C9 H9B 107.7 . . ?
C10 C9 C8 113.49(9) . . ?
C10 C9 H9A 108.9 . . ?
C10 C9 H9B 108.9 . . ?
Rh1 C10 H10 102.5(10) . . ?
C9 C10 Rh1 107.14(7) . . ?
C9 C10 H10 115.3(10) . . ?
C11 C10 Rh1 73.01(6) . . ?
C11 C10 C9 125.53(10) . . ?
C11 C10 H10 117.7(10) . . ?
Rh1 C11 H11 114.4 . . ?
C10 C11 Rh1 71.13(6) . . ?
C10 C11 H11 114.4 . . ?
C10 C11 C12 124.04(10) . . ?
C12 C11 Rh1 110.37(7) . . ?
C12 C11 H11 114.4 . . ?
C11 C12 H12A 109.1 . . ?
C11 C12 H12B 109.1 . . ?
C11 C12 C13 112.45(9) . . ?
H12A C12 H12B 107.8 . . ?
C13 C12 H12A 109.1 . . ?
C13 C12 H12B 109.1 . . ?
C6 C13 C12 114.08(9) . . ?
C6 C13 H13A 108.7 . . ?
C6 C13 H13B 108.7 . . ?
C12 C13 H13A 108.7 . . ?
C12 C13 H13B 108.7 . . ?
H13A C13 H13B 107.6 . . ?
P2 Rh2 Cl2 89.413(9) . . ?
C18 Rh2 Cl2 155.09(3) . . ?
C18 Rh2 P2 94.26(3) . . ?
C18 Rh2 C19 39.15(3) . . ?
C18 Rh2 C22 97.63(4) . . ?
C18 Rh2 C23 81.22(4) . . ?
C19 Rh2 Cl2 165.03(3) . . ?
C19 Rh2 P2 94.02(3) . . ?
C19 Rh2 C22 82.21(4) . . ?
C19 Rh2 C23 89.15(4) . . ?
C22 Rh2 Cl2 88.67(3) . . ?
C22 Rh2 P2 155.68(3) . . ?
C22 Rh2 C23 35.82(4) . . ?
C23 Rh2 Cl2 90.36(3) . . ?
C23 Rh2 P2 168.46(3) . . ?
Al2 Cl2 Rh2 107.496(12) . . ?
C14 P2 Rh2 110.43(4) . . ?
C14 P2 C15 101.72(5) . . ?
C15 P2 Rh2 119.55(4) . . ?
C16 P2 Rh2 112.25(3) . . ?
C16 P2 C14 103.98(5) . . ?
C16 P2 C15 107.38(5) . . ?
Cl3 Al2 Cl2 102.41(4) . . ?
C16 Al2 Cl2 101.11(3) . . ?
C16 Al2 Cl3 112.19(4) . . ?
C16 Al2 C26 117.4(3) . . ?
C17 Al2 Cl2 108.11(4) . . ?
C17 Al2 Cl3 113.79(6) . . ?
C17 Al2 C16 117.17(5) . . ?
C17 Al2 C26 110.1(4) . . ?
C26 Al2 Cl2 100.6(4) . . ?
P2 C14 H 109.5 . . ?
P2 C14 HA 109.5 . . ?
P2 C14 HB 109.5 . . ?
H C14 HA 109.5 . . ?
H C14 HB 109.5 . . ?
HA C14 HB 109.5 . . ?
P2 C15 HC 109.5 . . ?
P2 C15 HD 109.5 . . ?
P2 C15 HE 109.5 . . ?
HC C15 HD 109.5 . . ?
HC C15 HE 109.5 . . ?
HD C15 HE 109.5 . . ?
P2 C16 Al2 112.59(5) . . ?
P2 C16 HF 109.1 . . ?
P2 C16 HG 109.1 . . ?
Al2 C16 HF 109.1 . . ?
Al2 C16 HG 109.1 . . ?
HF C16 HG 107.8 . . ?
Al2 C17 HH 109.5 . . ?
Al2 C17 HI 109.5 . . ?
Al2 C17 HJ 109.5 . . ?
HH C17 HI 109.5 . . ?
HH C17 HJ 109.5 . . ?
HI C17 HJ 109.5 . . ?
Rh2 C18 HK 113.8 . . ?
C19 C18 Rh2 70.67(5) . . ?
C19 C18 HK 113.8 . . ?
C19 C18 C25 125.90(9) . . ?
C25 C18 Rh2 110.49(6) . . ?
C25 C18 HK 113.8 . . ?
Rh2 C19 HL 113.8 . . ?
C18 C19 Rh2 70.18(5) . . ?
C18 C19 HL 113.8 . . ?
C18 C19 C20 124.26(8) . . ?
C20 C19 Rh2 113.35(6) . . ?
C20 C19 HL 113.8 . . ?
C19 C20 HM 109.1 . . ?
C19 C20 HN 109.1 . . ?
C19 C20 C21 112.59(8) . . ?
HM C20 HN 107.8 . . ?
C21 C20 HM 109.1 . . ?
C21 C20 HN 109.1 . . ?
C20 C21 HO 108.8 . . ?
C20 C21 HP 108.8 . . ?
HO C21 HP 107.7 . . ?
C22 C21 C20 113.62(8) . . ?
C22 C21 HO 108.8 . . ?
C22 C21 HP 108.8 . . ?
Rh2 C22 HQ 102.5(9) . . ?
C21 C22 Rh2 106.40(6) . . ?
C21 C22 HQ 114.6(9) . . ?
C23 C22 Rh2 74.08(6) . . ?
C23 C22 C21 125.99(9) . . ?
C23 C22 HQ 117.9(9) . . ?
Rh2 C23 HR 114.5 . . ?
C22 C23 Rh2 70.10(5) . . ?
C22 C23 HR 114.5 . . ?
C22 C23 C24 124.44(9) . . ?
C24 C23 Rh2 110.19(6) . . ?
C24 C23 HR 114.5 . . ?
C23 C24 HS 109.2 . . ?
C23 C24 HT 109.2 . . ?
C23 C24 C25 112.03(8) . . ?
HS C24 HT 107.9 . . ?
C25 C24 HS 109.2 . . ?
C25 C24 HT 109.2 . . ?
C18 C25 C24 113.91(8) . . ?
C18 C25 HU 108.8 . . ?
C18 C25 HV 108.8 . . ?
C24 C25 HU 108.8 . . ?
C24 C25 HV 108.8 . . ?
HU C25 HV 107.7 . . ?
Al2 C26 HW 109.5 . . ?
Al2 C26 HX 109.5 . . ?
Al2 C26 HY 109.5 . . ?
HW C26 HX 109.5 . . ?
HW C26 HY 109.5 . . ?
HX C26 HY 109.5 . . ?

loop_
_geom_torsion_atom_site_label_1
_geom_torsion_atom_site_label_2
_geom_torsion_atom_site_label_3
_geom_torsion_atom_site_label_4
_geom_torsion
_geom_torsion_site_symmetry_1
_geom_torsion_site_symmetry_2
_geom_torsion_site_symmetry_3
_geom_torsion_site_symmetry_4
_geom_torsion_publ_flag
Rh1 P1 C3 Al1 53.17(6) . . . . ?
Rh1 C6 C7 C8 -105.49(10) . . . . ?
Rh1 C6 C13 C12 36.41(11) . . . . ?
Rh1 C7 C8 C9 12.03(12) . . . . ?
Rh1 C10 C11 C12 -102.30(10) . . . . ?
Rh1 C11 C12 C13 13.18(12) . . . . ?
C1 P1 C3 Al1 -175.40(5) . . . . ?
C2 P1 C3 Al1 -66.71(6) . . . . ?
C6 C7 C8 C9 92.70(12) . . . . ?
C7 C6 C13 C12 -44.36(15) . . . . ?
C7 C8 C9 C10 -32.89(13) . . . . ?
C8 C9 C10 Rh1 35.87(11) . . . . ?
C8 C9 C10 C11 -45.18(14) . . . . ?
C9 C10 C11 Rh1 99.23(10) . . . . ?
C9 C10 C11 C12 -3.06(16) . . . . ?
C10 C11 C12 C13 93.65(13) . . . . ?
C11 C12 C13 C6 -32.72(14) . . . . ?
C13 C6 C7 Rh1 102.51(10) . . . . ?
C13 C6 C7 C8 -2.98(16) . . . . ?
Rh2 P2 C16 Al2 -47.06(6) . . . . ?
Rh2 C18 C19 C20 -105.32(9) . . . . ?
Rh2 C18 C25 C24 38.75(10) . . . . ?
Rh2 C19 C20 C21 11.05(10) . . . . ?
Rh2 C22 C23 C24 -101.36(9) . . . . ?
Rh2 C23 C24 C25 14.93(10) . . . . ?
C14 P2 C16 Al2 72.31(6) . . . . ?
C15 P2 C16 Al2 179.60(5) . . . . ?
C18 C19 C20 C21 92.26(11) . . . . ?
C19 C18 C25 C24 -41.71(13) . . . . ?
C19 C20 C21 C22 -33.44(11) . . . . ?
C20 C21 C22 Rh2 37.45(9) . . . . ?
C20 C21 C22 C23 -44.52(13) . . . . ?
C21 C22 C23 Rh2 98.95(9) . . . . ?
C21 C22 C23 C24 -2.40(15) . . . . ?
C22 C23 C24 C25 94.12(12) . . . . ?
C23 C24 C25 C18 -35.44(12) . . . . ?
C25 C18 C19 Rh2 101.78(9) . . . . ?
C25 C18 C19 C20 -3.54(15) . . . . ?

_olex2_submission_special_instructions 'No special instructions were received'
####################################################################### 
# 
# 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_IrcodPPAlCl2
_database_code_depnum_ccdc_archive 'CCDC 2184242'
loop_
_audit_author_name
_audit_author_address
'Katarina Paskaruk'
;McMaster University
Canada
;
_audit_update_record             
;
2022-07-05 deposited with the CCDC.	2022-09-14 downloaded from the CCDC.
;
_audit_creation_date             2022-05-11
_audit_creation_method           
;
Olex2 1.3
(compiled 2020.11.12 svn.r5f609507 for OlexSys, GUI svn.r6272)
;
_shelx_SHELXL_version_number     2018/3
_chemical_name_common            ?
_chemical_name_systematic        ?
_chemical_formula_moiety         'C14 H28 Al Cl2 Ir P2'
_chemical_formula_sum            'C14 H28 Al Cl2 Ir P2'
_chemical_formula_weight         548.38
_chemical_melting_point          ?
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'
H H 0.0000 0.0000 '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'
Ir Ir -1.4442 7.9887 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
P P 0.1023 0.0942 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'

_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.
;
_space_group_crystal_system      orthorhombic
_space_group_IT_number           60
_space_group_name_H-M_alt        'P b c n'
_space_group_name_Hall           '-P 2n 2ab'
loop_
_space_group_symop_operation_xyz
'x, y, z'
'-x+1/2, -y+1/2, z+1/2'
'-x, y, -z+1/2'
'x+1/2, -y+1/2, -z'
'-x, -y, -z'
'x-1/2, y-1/2, -z-1/2'
'x, -y, z-1/2'
'-x-1/2, y-1/2, z'

_cell_length_a                   13.6878(3)
_cell_length_b                   11.8285(2)
_cell_length_c                   11.8398(2)
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_volume                     1916.94(6)
_cell_formula_units_Z            4
_cell_measurement_reflns_used    9590
_cell_measurement_temperature    100.0(1)
_cell_measurement_theta_max      40.25
_cell_measurement_theta_min      2.27
_shelx_estimated_absorpt_T_max   0.382
_shelx_estimated_absorpt_T_min   0.155
_exptl_absorpt_coefficient_mu    7.446
_exptl_absorpt_correction_T_max  0.2177
_exptl_absorpt_correction_T_min  0.1020
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   
;
SADABS-2016/2 (Bruker,2016/2) was used for absorption correction.
wR2(int) was 0.1031 before and 0.0409 after correction.
The Ratio of minimum to maximum transmission is 0.4685.
The λ/2 correction factor is Not present.
;
_exptl_absorpt_special_details   ?
_exptl_crystal_colour            'clear orange'
_exptl_crystal_colour_lustre     clear
_exptl_crystal_colour_primary    orange
_exptl_crystal_density_diffrn    1.900
_exptl_crystal_density_meas      ?
_exptl_crystal_density_method    ?
_exptl_crystal_description       plank
_exptl_crystal_F_000             1064
_exptl_crystal_size_max          0.4
_exptl_crystal_size_mid          0.2
_exptl_crystal_size_min          0.16
_exptl_transmission_factor_max   ?
_exptl_transmission_factor_min   ?
_diffrn_reflns_av_R_equivalents  0.0341
_diffrn_reflns_av_unetI/netI     0.0108
_diffrn_reflns_Laue_measured_fraction_full 1.000
_diffrn_reflns_Laue_measured_fraction_max 1.000
_diffrn_reflns_limit_h_max       24
_diffrn_reflns_limit_h_min       -24
_diffrn_reflns_limit_k_max       21
_diffrn_reflns_limit_k_min       -21
_diffrn_reflns_limit_l_max       21
_diffrn_reflns_limit_l_min       -21
_diffrn_reflns_number            152846
_diffrn_reflns_point_group_measured_fraction_full 1.000
_diffrn_reflns_point_group_measured_fraction_max 1.000
_diffrn_reflns_theta_full        25.242
_diffrn_reflns_theta_max         40.293
_diffrn_reflns_theta_min         2.276
_diffrn_ambient_temperature      100.00(10)
_diffrn_detector_area_resol_mean ?
_diffrn_measured_fraction_theta_full 1.000
_diffrn_measured_fraction_theta_max 1.000
_diffrn_measurement_device_type  'Bruker APEX-II CCD'
_diffrn_measurement_method       'φ and ω scans'
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_source                   ?
_diffrn_source_current           30.0
_diffrn_source_power             1.5
_diffrn_source_voltage           50.0
_diffrn_standards_number         0
_reflns_Friedel_coverage         0.000
_reflns_Friedel_fraction_full    .
_reflns_Friedel_fraction_max     .
_reflns_number_gt                4958
_reflns_number_total             6060
_reflns_special_details          
;
 Reflections were merged by SHELXL according to the crystal
 class for the calculation of statistics and refinement.
 
 _reflns_Friedel_fraction is defined as the number of unique
 Friedel pairs measured divided by the number that would be
 possible theoretically, ignoring centric projections and
 systematic absences.
;
_reflns_threshold_expression     'I > 2σ(I)'
_computing_cell_refinement       'SAINT V8.38A (Bruker, 2018)'
_computing_data_collection       ?
_computing_data_reduction        'SAINT V8.38A (Bruker, 2018)'
_computing_molecular_graphics    'Olex2 1.3 (Dolomanov et al., 2009)'
_computing_publication_material  'Olex2 1.3 (Dolomanov et al., 2009)'
_computing_structure_refinement  'SHELXL 2018/3 (Sheldrick, 2015)'
_computing_structure_solution    'SHELXT 2014/5 (Sheldrick, 2014)'
_refine_diff_density_max         3.121
_refine_diff_density_min         -1.285
_refine_diff_density_rms         0.129
_refine_ls_extinction_coef       .
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.147
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     94
_refine_ls_number_reflns         6060
_refine_ls_number_restraints     0
_refine_ls_R_factor_all          0.0277
_refine_ls_R_factor_gt           0.0199
_refine_ls_restrained_S_all      1.147
_refine_ls_shift/su_max          0.002
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details     
'w=1/[σ²(Fo²)+(0.0164P)²+3.0693P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0445
_refine_ls_wR_factor_ref         0.0483
_refine_special_details          ?
_olex2_refinement_description    
;
1. Fixed Uiso
 At 1.2 times of:
  All C(H) groups, All C(H,H) groups
 At 1.5 times of:
  All C(H,H,H) groups
2.a Ternary CH refined with riding coordinates:
 C4(H4), C5(H5)
2.b Secondary CH2 refined with riding coordinates:
 C3(H3A,H3B), C6(H6A,H6B), C7(H7A,H7B)
2.c Idealised Me refined as rotating group:
 C1(H1A,H1B,H1C), C2(H2A,H2B,H2C)
;
_atom_sites_solution_hydrogens   geom
_atom_sites_solution_primary     dual
_atom_sites_solution_secondary   ?
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
_atom_site_refinement_flags_posn
_atom_site_refinement_flags_adp
_atom_site_refinement_flags_occupancy
_atom_site_disorder_assembly
_atom_site_disorder_group
Ir1 Ir 0.500000 0.68327(2) 0.750000 0.00982(2) Uani 1 2 d S T P . .
Cl1 Cl 0.40907(4) 0.21195(4) 0.85542(4) 0.02639(9) Uani 1 1 d . . . . .
P1 P 0.38033(3) 0.54792(3) 0.71839(3) 0.01230(6) Uani 1 1 d . . . . .
Al1 Al 0.500000 0.32024(6) 0.750000 0.01599(12) Uani 1 2 d S T P . .
C1 C 0.27259(12) 0.59409(14) 0.63926(15) 0.0179(3) Uani 1 1 d . . . . .
H1A H 0.292361 0.618329 0.563485 0.027 Uiso 1 1 calc R U . . .
H1B H 0.241511 0.657389 0.678772 0.027 Uiso 1 1 calc R U . . .
H1C H 0.226212 0.531264 0.633168 0.027 Uiso 1 1 calc R U . . .
C2 C 0.32469(13) 0.50545(15) 0.85174(15) 0.0196(3) Uani 1 1 d . . . . .
H2A H 0.277298 0.444907 0.837930 0.029 Uiso 1 1 calc R U . . .
H2B H 0.291350 0.570433 0.885669 0.029 Uiso 1 1 calc R U . . .
H2C H 0.375515 0.478194 0.903282 0.029 Uiso 1 1 calc R U . . .
C3 C 0.41520(12) 0.41596(13) 0.65301(13) 0.0164(2) Uani 1 1 d . . . . .
H3A H 0.450110 0.432421 0.581650 0.020 Uiso 1 1 calc R U . . .
H3B H 0.355385 0.373009 0.633817 0.020 Uiso 1 1 calc R U . . .
C4 C 0.61320(12) 0.80717(13) 0.70599(14) 0.0152(2) Uani 1 1 d . . . . .
H4 H 0.678663 0.773089 0.690263 0.018 Uiso 1 1 calc R U . . .
C5 C 0.59247(12) 0.82050(12) 0.82141(14) 0.0149(2) Uani 1 1 d . . . . .
H5 H 0.645586 0.792669 0.872297 0.018 Uiso 1 1 calc R U . . .
C6 C 0.57505(12) 0.88162(15) 0.61207(16) 0.0196(3) Uani 1 1 d . . . . .
H6A H 0.581661 0.840957 0.539380 0.024 Uiso 1 1 calc R U . . .
H6B H 0.615666 0.950734 0.607764 0.024 Uiso 1 1 calc R U . . .
C7 C 0.53247(12) 0.91604(14) 0.87163(15) 0.0176(3) Uani 1 1 d . . . . .
H7A H 0.535798 0.982597 0.821081 0.021 Uiso 1 1 calc R U . . .
H7B H 0.560595 0.937927 0.945494 0.021 Uiso 1 1 calc R U . . .


_geom_special_details            
;
 All esds (except the esd in the dihedral angle between two l.s. planes)
 are estimated using the full covariance matrix.  The cell esds are taken
 into account individually in the estimation of esds in distances, angles
 and torsion angles; correlations between esds in cell parameters are only
 used when they are defined by crystal symmetry.  An approximate (isotropic)
 treatment of cell esds is used for estimating esds involving l.s. planes.
;
loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_site_symmetry_2
_geom_bond_publ_flag
Ir1 P1 2.3208(4) . ?
Ir1 P1 2.3208(4) 3_656 ?
Ir1 C4 2.1955(15) . ?
Ir1 C4 2.1955(15) 3_656 ?
Ir1 C5 2.2253(15) 3_656 ?
Ir1 C5 2.2252(15) . ?
Cl1 Al1 2.1789(6) . ?
P1 C1 1.8305(16) . ?
P1 C2 1.8235(17) . ?
P1 C3 1.8065(16) . ?
Al1 C3 1.9870(16) . ?
Al1 C3 1.9870(16) 3_656 ?
C1 H1A 0.9800 . ?
C1 H1B 0.9800 . ?
C1 H1C 0.9800 . ?
C2 H2A 0.9800 . ?
C2 H2B 0.9800 . ?
C2 H2C 0.9800 . ?
C3 H3A 0.9900 . ?
C3 H3B 0.9900 . ?
C4 H4 1.0000 . ?
C4 C5 1.405(2) . ?
C4 C6 1.512(2) . ?
C5 H5 1.0000 . ?
C5 C7 1.518(2) . ?
C6 H6A 0.9900 . ?
C6 H6B 0.9900 . ?
C6 C7 1.539(2) 3_656 ?
C7 H7A 0.9900 . ?
C7 H7B 0.9900 . ?

loop_
_geom_angle_atom_site_label_1
_geom_angle_atom_site_label_2
_geom_angle_atom_site_label_3
_geom_angle
_geom_angle_site_symmetry_1
_geom_angle_site_symmetry_3
_geom_angle_publ_flag
P1 Ir1 P1 92.77(2) 3_656 . ?
C4 Ir1 P1 156.97(4) 3_656 3_656 ?
C4 Ir1 P1 90.04(4) 3_656 . ?
C4 Ir1 P1 156.97(4) . . ?
C4 Ir1 P1 90.04(4) . 3_656 ?
C4 Ir1 C4 96.25(8) 3_656 . ?
C4 Ir1 C5 79.88(6) 3_656 . ?
C4 Ir1 C5 37.04(6) . . ?
C4 Ir1 C5 79.88(6) . 3_656 ?
C4 Ir1 C5 37.04(6) 3_656 3_656 ?
C5 Ir1 P1 165.00(4) . . ?
C5 Ir1 P1 165.00(4) 3_656 3_656 ?
C5 Ir1 P1 92.32(4) . 3_656 ?
C5 Ir1 P1 92.32(4) 3_656 . ?
C5 Ir1 C5 86.32(8) . 3_656 ?
C1 P1 Ir1 116.45(6) . . ?
C2 P1 Ir1 110.19(6) . . ?
C2 P1 C1 100.88(8) . . ?
C3 P1 Ir1 118.60(6) . . ?
C3 P1 C1 104.56(7) . . ?
C3 P1 C2 104.08(8) . . ?
Cl1 Al1 Cl1 107.99(4) 3_656 . ?
C3 Al1 Cl1 109.73(5) 3_656 . ?
C3 Al1 Cl1 109.41(5) 3_656 3_656 ?
C3 Al1 Cl1 109.73(5) . 3_656 ?
C3 Al1 Cl1 109.41(5) . . ?
C3 Al1 C3 110.52(9) . 3_656 ?
P1 C1 H1A 109.5 . . ?
P1 C1 H1B 109.5 . . ?
P1 C1 H1C 109.5 . . ?
H1A C1 H1B 109.5 . . ?
H1A C1 H1C 109.5 . . ?
H1B C1 H1C 109.5 . . ?
P1 C2 H2A 109.5 . . ?
P1 C2 H2B 109.5 . . ?
P1 C2 H2C 109.5 . . ?
H2A C2 H2B 109.5 . . ?
H2A C2 H2C 109.5 . . ?
H2B C2 H2C 109.5 . . ?
P1 C3 Al1 113.52(8) . . ?
P1 C3 H3A 108.9 . . ?
P1 C3 H3B 108.9 . . ?
Al1 C3 H3A 108.9 . . ?
Al1 C3 H3B 108.9 . . ?
H3A C3 H3B 107.7 . . ?
Ir1 C4 H4 114.0 . . ?
C5 C4 Ir1 72.63(9) . . ?
C5 C4 H4 114.0 . . ?
C5 C4 C6 125.49(14) . . ?
C6 C4 Ir1 108.64(10) . . ?
C6 C4 H4 114.0 . . ?
Ir1 C5 H5 113.7 . . ?
C4 C5 Ir1 70.33(9) . . ?
C4 C5 H5 113.7 . . ?
C4 C5 C7 125.02(14) . . ?
C7 C5 Ir1 112.59(11) . . ?
C7 C5 H5 113.7 . . ?
C4 C6 H6A 109.0 . . ?
C4 C6 H6B 109.0 . . ?
C4 C6 C7 113.09(14) . 3_656 ?
H6A C6 H6B 107.8 . . ?
C7 C6 H6A 109.0 3_656 . ?
C7 C6 H6B 109.0 3_656 . ?
C5 C7 C6 111.68(13) . 3_656 ?
C5 C7 H7A 109.3 . . ?
C5 C7 H7B 109.3 . . ?
C6 C7 H7A 109.3 3_656 . ?
C6 C7 H7B 109.3 3_656 . ?
H7A C7 H7B 107.9 . . ?

loop_
_geom_torsion_atom_site_label_1
_geom_torsion_atom_site_label_2
_geom_torsion_atom_site_label_3
_geom_torsion_atom_site_label_4
_geom_torsion
_geom_torsion_site_symmetry_1
_geom_torsion_site_symmetry_2
_geom_torsion_site_symmetry_3
_geom_torsion_site_symmetry_4
_geom_torsion_publ_flag
Ir1 P1 C3 Al1 67.86(10) . . . . ?
Ir1 C4 C5 C7 -104.33(15) . . . . ?
Ir1 C4 C6 C7 41.44(17) . . . 3_656 ?
Ir1 C5 C7 C6 14.38(17) . . . 3_656 ?
C1 P1 C3 Al1 -160.41(9) . . . . ?
C2 P1 C3 Al1 -54.97(11) . . . . ?
C4 C5 C7 C6 95.54(19) . . . 3_656 ?
C5 C4 C6 C7 -40.1(2) . . . 3_656 ?
C6 C4 C5 Ir1 100.85(15) . . . . ?
C6 C4 C5 C7 -3.5(2) . . . . ?

