#------------------------------------------------------------------------------
#$Date: 2021-02-05 01:18:54 +0200 (Fri, 05 Feb 2021) $
#$Revision: 261693 $
#$URL: file:///home/coder/svn-repositories/cod/cif/7/70/59/7705991.cif $
#------------------------------------------------------------------------------
#
# This file is available in the Crystallography Open Database (COD),
# http://www.crystallography.net/
#
# All data on this site have been placed in the public domain by the
# contributors.
#
data_7705991
loop_
_publ_author_name
'Yeo, Alyssa'
'Sanz, Corey A.'
'Fryzuk, Michael D.'
_publ_section_title
;
 Forays into rhodium macrocyclic chemistry stabilized by a
 P₂N₂ donor set. Activation of dihydrogen and
 benzene.
;
_journal_issue                   3
_journal_name_full
'Dalton transactions (Cambridge, England : 2003)'
_journal_page_first              899
_journal_page_last               907
_journal_paper_doi               10.1039/d0dt03688a
_journal_volume                  50
_journal_year                    2021
_chemical_formula_moiety         'C64 H104 Li2 N4 O2 P4 Rh2 Si8, 4(C6 H6)'
_chemical_formula_sum            'C88 H128 Li2 N4 O2 P4 Rh2 Si8'
_chemical_formula_weight         1842.24
_space_group_crystal_system      triclinic
_space_group_IT_number           2
_space_group_name_Hall           '-P 1'
_space_group_name_H-M_alt        'P -1'
_atom_sites_solution_hydrogens   mixed
_atom_sites_solution_primary     dual
_audit_creation_date             2020-02-21
_audit_creation_method
;
Olex2 1.2
(compiled 2018.05.29 svn.r3508 for OlexSys, GUI svn.r5506)
;
_audit_update_record
;
2020-05-16 deposited with the CCDC.	2020-12-02 downloaded from the CCDC.
;
_cell_angle_alpha                95.810(7)
_cell_angle_beta                 94.411(7)
_cell_angle_gamma                103.071(6)
_cell_formula_units_Z            1
_cell_length_a                   11.3155(12)
_cell_length_b                   12.3073(13)
_cell_length_c                   17.4753(18)
_cell_measurement_reflns_used    9850
_cell_measurement_temperature    90
_cell_measurement_theta_max      36.575
_cell_measurement_theta_min      2.300
_cell_volume                     2345.9(4)
_computing_cell_refinement       'SAINT V8.40A (2016)'
_computing_data_reduction        'SAINT V8.40A (2016)'
_computing_molecular_graphics    'Olex2 (Dolomanov et al., 2009)'
_computing_publication_material  'Olex2 (Dolomanov et al., 2009)'
_computing_structure_refinement  'ShelXL (Sheldrick, 2015)'
_computing_structure_solution    'ShelXT (Sheldrick, 2015)'
_diffrn_ambient_temperature      90
_diffrn_measured_fraction_theta_full 1.000
_diffrn_measured_fraction_theta_max 0.983
_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_reflns_av_R_equivalents  0.0355
_diffrn_reflns_av_unetI/netI     0.0334
_diffrn_reflns_Laue_measured_fraction_full 1.000
_diffrn_reflns_Laue_measured_fraction_max 0.983
_diffrn_reflns_limit_h_max       18
_diffrn_reflns_limit_h_min       -18
_diffrn_reflns_limit_k_max       20
_diffrn_reflns_limit_k_min       -20
_diffrn_reflns_limit_l_max       29
_diffrn_reflns_limit_l_min       -29
_diffrn_reflns_number            88617
_diffrn_reflns_point_group_measured_fraction_full 1.000
_diffrn_reflns_point_group_measured_fraction_max 0.983
_diffrn_reflns_theta_full        25.242
_diffrn_reflns_theta_max         36.692
_diffrn_reflns_theta_min         1.177
_diffrn_standards_number         0
_exptl_absorpt_coefficient_mu    0.569
_exptl_absorpt_correction_T_max  0.956
_exptl_absorpt_correction_T_min  0.871
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details
'SADABS-2016/2 (Bruker,2016/2) was used for absorption correction. wR2(int) was 0.1234 before and 0.0451 after correction. The Ratio of minimum to maximum transmission is 0.9109. The λ/2 correction factor is Not present.'
_exptl_crystal_colour            colourless
_exptl_crystal_density_diffrn    1.304
_exptl_crystal_description       prisms
_exptl_crystal_F_000             968
_exptl_crystal_size_max          0.46
_exptl_crystal_size_mid          0.32
_exptl_crystal_size_min          0.08
_refine_diff_density_max         0.905
_refine_diff_density_min         -0.523
_refine_diff_density_rms         0.081
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   0.805
_refine_ls_hydrogen_treatment    mixed
_refine_ls_matrix_type           full
_refine_ls_number_parameters     508
_refine_ls_number_reflns         22948
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      0.805
_refine_ls_R_factor_all          0.0364
_refine_ls_R_factor_gt           0.0293
_refine_ls_shift/su_max          0.001
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'w=1/[σ²(Fo²)+(0.1000P)²] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0977
_refine_ls_wR_factor_ref         0.1066
_reflns_Friedel_coverage         0.000
_reflns_number_gt                19948
_reflns_number_total             22948
_reflns_threshold_expression     'I > 2σ(I)'
_cod_data_source_file            d0dt03688a2.cif
_cod_data_source_block           mf1442
_cod_depositor_comments
'Adding full bibliography for 7705986--7705991.cif.'
_cod_database_code               7705991
_shelx_shelxl_version_number     2016/4
_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.
;
_shelx_estimated_absorpt_t_max   0.956
_shelx_estimated_absorpt_t_min   0.780
_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 Secondary CH2 refined with riding coordinates:
 C7(H7A,H7B), C12(H12A,H12B), C19(H19A,H19B), C24(H24A,H24B), C25(H25A,H25B),
 C26(H26A,H26B)
2.b Aromatic/amide H refined with riding coordinates:
 C2(H2), C3(H3), C4(H4), C5(H5), C6(H6), C14(H14), C15(H15), C16(H16),
 C17(H17), C18(H18), C28(H28), C29(H29), C30(H30), C31(H31), C32(H32), C33(H33),
  C34(H34), C35(H35), C36(H36), C37(H37), C38(H38), C39(H39), C40(H40),
 C41(H41), C42(H42), C43(H43), C44(H44)
2.c Idealised Me refined as rotating group:
 C8(H8A,H8B,H8C), C9(H9A,H9B,H9C), C10(H10A,H10B,H10C), C11(H11A,H11B,H11C),
 C20(H20A,H20B,H20C), C21(H21A,H21B,H21C), C22(H22B,H22C,H22A), C23(H23B,H23C,
 H23A)
;
_olex2_submission_special_instructions 'No special instructions were received'
loop_
_space_group_symop_operation_xyz
'x, y, z'
'-x, -y, -z'
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 0.32246(2) 0.20986(2) 0.29763(2) 0.00855(3) Uani 1 1 d . . . . .
P1 P 0.24084(2) 0.03209(2) 0.32668(2) 0.01018(5) Uani 1 1 d . . . . .
P2 P 0.39360(2) 0.37976(2) 0.25410(2) 0.01023(5) Uani 1 1 d . . . . .
Si1 Si 0.49981(3) 0.03760(3) 0.30416(2) 0.01177(5) Uani 1 1 d . . . . .
Si2 Si 0.60116(3) 0.26487(3) 0.25260(2) 0.01197(5) Uani 1 1 d . . . . .
Si3 Si 0.20215(3) 0.25833(3) 0.12007(2) 0.01355(6) Uani 1 1 d . . . . .
Si4 Si 0.10285(3) 0.02567(2) 0.16772(2) 0.01140(5) Uani 1 1 d . . . . .
O1 O 0.43626(8) 0.03155(8) 0.06333(5) 0.02033(17) Uani 1 1 d . . . . .
N1 N 0.48608(8) 0.14650(7) 0.25187(5) 0.01156(14) Uani 1 1 d . . . . .
N2 N 0.21109(8) 0.14872(7) 0.17138(5) 0.01175(14) Uani 1 1 d . . . . .
C1 C 0.20404(10) -0.00669(9) 0.42153(6) 0.01306(16) Uani 1 1 d . . . . .
C2 C 0.21052(11) 0.07454(10) 0.48453(6) 0.01727(19) Uani 1 1 d . . . . .
H2 H 0.243505 0.151545 0.480151 0.021 Uiso 1 1 calc R . . . .
C3 C 0.16852(13) 0.04278(12) 0.55414(7) 0.0227(2) Uani 1 1 d . . . . .
H3 H 0.172463 0.098343 0.596766 0.027 Uiso 1 1 calc R . . . .
C4 C 0.12116(12) -0.06962(12) 0.56102(7) 0.0233(2) Uani 1 1 d . . . . .
H4 H 0.092430 -0.090902 0.608269 0.028 Uiso 1 1 calc R . . . .
C5 C 0.11568(12) -0.15131(11) 0.49875(8) 0.0230(2) Uani 1 1 d . . . . .
H5 H 0.083900 -0.228374 0.503571 0.028 Uiso 1 1 calc R . . . .
C6 C 0.15707(12) -0.11960(10) 0.42917(7) 0.0196(2) Uani 1 1 d . . . . .
H6 H 0.153203 -0.175388 0.386699 0.023 Uiso 1 1 calc R . . . .
C7 C 0.34085(10) -0.05778(9) 0.29377(6) 0.01391(17) Uani 1 1 d . . . . .
H7A H 0.315644 -0.090355 0.239209 0.017 Uiso 1 1 calc R . . . .
H7B H 0.338091 -0.119802 0.326011 0.017 Uiso 1 1 calc R . . . .
C8 C 0.54496(12) 0.07538(11) 0.41069(6) 0.0188(2) Uani 1 1 d . . . . .
H8A H 0.631443 0.114231 0.419662 0.028 Uiso 1 1 calc GR . . . .
H8B H 0.531425 0.006821 0.436101 0.028 Uiso 1 1 calc GR . . . .
H8C H 0.495632 0.124825 0.431997 0.028 Uiso 1 1 calc GR . . . .
C9 C 0.60892(11) -0.04827(10) 0.26975(7) 0.0186(2) Uani 1 1 d . . . . .
H9A H 0.577878 -0.087740 0.218061 0.028 Uiso 1 1 calc GR . . . .
H9B H 0.616225 -0.103194 0.305643 0.028 Uiso 1 1 calc GR . . . .
H9C H 0.689174 0.001643 0.267713 0.028 Uiso 1 1 calc GR . . . .
C10 C 0.67702(11) 0.33280(10) 0.35080(7) 0.01811(19) Uani 1 1 d . . . . .
H10A H 0.615103 0.348643 0.383693 0.027 Uiso 1 1 calc GR . . . .
H10B H 0.735225 0.403192 0.345506 0.027 Uiso 1 1 calc GR . . . .
H10C H 0.720265 0.281942 0.374365 0.027 Uiso 1 1 calc GR . . . .
C11 C 0.72679(11) 0.24380(11) 0.19188(8) 0.0213(2) Uani 1 1 d . . . . .
H11A H 0.765761 0.187511 0.211913 0.032 Uiso 1 1 calc GR . . . .
H11B H 0.787527 0.315093 0.193973 0.032 Uiso 1 1 calc GR . . . .
H11C H 0.692372 0.217845 0.138207 0.032 Uiso 1 1 calc GR . . . .
C12 C 0.52880(10) 0.36953(9) 0.20550(6) 0.01352(16) Uani 1 1 d . . . . .
H12A H 0.587041 0.443856 0.210987 0.016 Uiso 1 1 calc R . . . .
H12B H 0.505553 0.343712 0.149732 0.016 Uiso 1 1 calc R . . . .
C13 C 0.43321(10) 0.51356(8) 0.31671(6) 0.01391(17) Uani 1 1 d . . . . .
C14 C 0.55423(12) 0.57155(10) 0.33837(7) 0.0199(2) Uani 1 1 d . . . . .
H14 H 0.618623 0.541500 0.320175 0.024 Uiso 1 1 calc R . . . .
C15 C 0.58116(14) 0.67370(11) 0.38673(8) 0.0270(3) Uani 1 1 d . . . . .
H15 H 0.663727 0.712758 0.400909 0.032 Uiso 1 1 calc R . . . .
C16 C 0.48823(16) 0.71819(11) 0.41404(8) 0.0292(3) Uani 1 1 d . . . . .
H16 H 0.507143 0.787631 0.446758 0.035 Uiso 1 1 calc R . . . .
C17 C 0.36757(15) 0.66138(11) 0.39364(8) 0.0265(3) Uani 1 1 d . . . . .
H17 H 0.303771 0.691556 0.412638 0.032 Uiso 1 1 calc R . . . .
C18 C 0.33989(12) 0.55915(10) 0.34483(7) 0.0190(2) Uani 1 1 d . . . . .
H18 H 0.257149 0.520555 0.330754 0.023 Uiso 1 1 calc R . . . .
C19 C 0.27874(10) 0.39595(9) 0.18095(6) 0.01413(17) Uani 1 1 d . . . . .
H19A H 0.317186 0.450348 0.146914 0.017 Uiso 1 1 calc R . . . .
H19B H 0.216229 0.427022 0.206367 0.017 Uiso 1 1 calc R . . . .
C20 C 0.27971(15) 0.25061(11) 0.02815(7) 0.0271(3) Uani 1 1 d . . . . .
H20A H 0.360880 0.237120 0.039933 0.041 Uiso 1 1 calc GR . . . .
H20B H 0.287579 0.321698 0.006086 0.041 Uiso 1 1 calc GR . . . .
H20C H 0.230820 0.189021 -0.009153 0.041 Uiso 1 1 calc GR . . . .
C21 C 0.04729(13) 0.28079(11) 0.08740(9) 0.0265(3) Uani 1 1 d . . . . .
H21A H 0.004787 0.219132 0.047956 0.040 Uiso 1 1 calc GR . . . .
H21B H 0.057371 0.352230 0.065595 0.040 Uiso 1 1 calc GR . . . .
H21C H -0.000603 0.282669 0.131712 0.040 Uiso 1 1 calc GR . . . .
C22 C -0.05882(11) 0.02419(11) 0.13269(8) 0.0218(2) Uani 1 1 d . . . . .
H22B H -0.113199 -0.045456 0.143430 0.033 Uiso 1 1 calc GR . . . .
H22C H -0.065374 0.028444 0.076876 0.033 Uiso 1 1 calc GR . . . .
H22A H -0.082180 0.088808 0.159484 0.033 Uiso 1 1 calc GR . . . .
C23 C 0.13780(13) -0.09285(10) 0.10278(7) 0.0209(2) Uani 1 1 d . . . . .
H23B H 0.083432 -0.164123 0.110675 0.031 Uiso 1 1 calc GR . . . .
H23C H 0.222733 -0.096167 0.115294 0.031 Uiso 1 1 calc GR . . . .
H23A H 0.125360 -0.079762 0.048673 0.031 Uiso 1 1 calc GR . . . .
C24 C 0.09506(10) -0.01895(9) 0.26810(6) 0.01349(16) Uani 1 1 d . . . . .
H24A H 0.031763 0.010800 0.293592 0.016 Uiso 1 1 calc R . . . .
H24B H 0.071348 -0.101997 0.264079 0.016 Uiso 1 1 calc R . . . .
C25 C 0.54397(12) -0.01102(11) 0.07460(7) 0.0201(2) Uani 1 1 d . . . . .
H25A H 0.520129 -0.093575 0.074357 0.024 Uiso 1 1 calc R . . . .
H25B H 0.588821 0.022177 0.125547 0.024 Uiso 1 1 calc R . . . .
C26 C 0.37385(12) -0.01720(13) -0.01151(7) 0.0236(2) Uani 1 1 d . . . . .
H26A H 0.299847 0.011763 -0.020749 0.028 Uiso 1 1 calc R . . . .
H26B H 0.348015 -0.099822 -0.012751 0.028 Uiso 1 1 calc R . . . .
C27 C 0.19629(9) 0.27898(8) 0.34941(6) 0.01143(15) Uani 1 1 d . . . . .
C28 C 0.22376(10) 0.34266(9) 0.42328(6) 0.01452(17) Uani 1 1 d . . . . .
H28 H 0.300962 0.348185 0.450913 0.017 Uiso 1 1 calc R . . . .
C29 C 0.14215(12) 0.39785(10) 0.45740(7) 0.01789(19) Uani 1 1 d . . . . .
H29 H 0.164175 0.439145 0.507377 0.021 Uiso 1 1 calc R . . . .
C30 C 0.02892(11) 0.39234(10) 0.41830(7) 0.0196(2) Uani 1 1 d . . . . .
H30 H -0.026590 0.430528 0.440688 0.024 Uiso 1 1 calc R . . . .
C31 C -0.00161(11) 0.32977(10) 0.34567(7) 0.0192(2) Uani 1 1 d . . . . .
H31 H -0.078904 0.325011 0.318408 0.023 Uiso 1 1 calc R . . . .
C32 C 0.08011(10) 0.27374(9) 0.31225(6) 0.01448(17) Uani 1 1 d . . . . .
H32 H 0.056274 0.230845 0.262916 0.017 Uiso 1 1 calc R . . . .
Li1 Li 0.3724(2) 0.10456(19) 0.15475(12) 0.0176(4) Uani 1 1 d . . . . .
H H 0.3936(18) 0.2445(17) 0.3740(12) 0.034(5) Uiso 1 1 d . . . . .
C33 C 0.4703(2) 0.65436(19) 0.10522(17) 0.0599(6) Uani 1 1 d . . . . .
H33 H 0.554056 0.658417 0.119572 0.072 Uiso 1 1 calc R . . . .
C34 C 0.3981(2) 0.68581(13) 0.16065(12) 0.0453(5) Uani 1 1 d . . . . .
H34 H 0.432283 0.710831 0.212553 0.054 Uiso 1 1 calc R . . . .
C35 C 0.2781(2) 0.68036(14) 0.13972(13) 0.0475(5) Uani 1 1 d . . . . .
H35 H 0.227396 0.700456 0.176963 0.057 Uiso 1 1 calc R . . . .
C36 C 0.2312(3) 0.64517(18) 0.06353(15) 0.0599(7) Uani 1 1 d . . . . .
H36 H 0.148133 0.643485 0.048864 0.072 Uiso 1 1 calc R . . . .
C37 C 0.3004(3) 0.61261(17) 0.00837(14) 0.0594(7) Uani 1 1 d . . . . .
H37 H 0.264875 0.587430 -0.043249 0.071 Uiso 1 1 calc R . . . .
C38 C 0.4204(3) 0.61659(19) 0.02809(16) 0.0636(7) Uani 1 1 d . . . . .
H38 H 0.469540 0.594337 -0.009447 0.076 Uiso 1 1 calc R . . . .
C39 C -0.0264(3) 0.5662(2) 0.2211(2) 0.0754(9) Uani 1 1 d . . . . .
H39 H 0.021492 0.513158 0.210840 0.090 Uiso 1 1 calc R . . . .
C40 C -0.0366(2) 0.60626(17) 0.29528(16) 0.0521(5) Uani 1 1 d . . . . .
H40 H 0.007021 0.582956 0.336753 0.063 Uiso 1 1 calc R . . . .
C41 C -0.10835(16) 0.67910(15) 0.31093(11) 0.0380(4) Uani 1 1 d . . . . .
H41 H -0.115125 0.705069 0.363110 0.046 Uiso 1 1 calc R . . . .
C42 C -0.17105(17) 0.71548(16) 0.25212(12) 0.0403(4) Uani 1 1 d . . . . .
H42 H -0.221554 0.765887 0.263264 0.048 Uiso 1 1 calc R . . . .
C43 C -0.1596(2) 0.6778(2) 0.17668(13) 0.0600(7) Uani 1 1 d . . . . .
H43 H -0.202033 0.702804 0.135437 0.072 Uiso 1 1 calc R . . . .
C44 C -0.0868(3) 0.6038(3) 0.16079(18) 0.0841(11) Uani 1 1 d . . . . .
H44 H -0.078050 0.578798 0.108742 0.101 Uiso 1 1 calc R . . . .
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'
Li Li -0.0003 0.0001 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
N N 0.0061 0.0033 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
O O 0.0106 0.0060 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
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'
Si Si 0.0817 0.0704 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
loop_
_geom_angle_atom_site_label_1
_geom_angle_atom_site_label_2
_geom_angle_atom_site_label_3
_geom_angle
_geom_angle_site_symmetry_1
_geom_angle_site_symmetry_3
_geom_angle_publ_flag
P1 Rh1 N1 89.18(2) . . ?
P1 Rh1 N2 86.36(2) . . ?
P1 Rh1 Li1 86.77(5) . . ?
P1 Rh1 H 93.0(8) . . ?
P2 Rh1 P1 173.267(10) . . ?
P2 Rh1 N1 89.98(2) . . ?
P2 Rh1 N2 86.94(2) . . ?
P2 Rh1 Li1 87.99(5) . . ?
P2 Rh1 H 93.7(8) . . ?
N1 Rh1 N2 88.86(3) . . ?
N1 Rh1 Li1 43.93(5) . . ?
N1 Rh1 H 89.1(8) . . ?
N2 Rh1 Li1 44.92(5) . . ?
N2 Rh1 H 177.9(8) . . ?
C27 Rh1 P1 94.10(3) . . ?
C27 Rh1 P2 87.60(3) . . ?
C27 Rh1 N1 172.07(4) . . ?
C27 Rh1 N2 98.55(4) . . ?
C27 Rh1 Li1 143.40(5) . . ?
C27 Rh1 H 83.5(8) . . ?
Li1 Rh1 H 133.0(8) . . ?
C1 P1 Rh1 126.46(4) . . ?
C1 P1 C7 105.30(5) . . ?
C7 P1 Rh1 107.31(4) . . ?
C24 P1 Rh1 107.09(4) . . ?
C24 P1 C1 102.44(5) . . ?
C24 P1 C7 106.89(5) . . ?
C12 P2 Rh1 107.01(4) . . ?
C13 P2 Rh1 123.55(4) . . ?
C13 P2 C12 106.56(5) . . ?
C19 P2 Rh1 106.96(4) . . ?
C19 P2 C12 107.00(5) . . ?
C19 P2 C13 104.81(5) . . ?
N1 Si1 C7 104.81(5) . . ?
N1 Si1 C8 116.59(5) . . ?
N1 Si1 C9 115.53(5) . . ?
N1 Si1 Li1 34.70(5) . . ?
C7 Si1 Li1 76.71(5) . . ?
C8 Si1 C7 106.06(5) . . ?
C8 Si1 C9 104.93(5) . . ?
C8 Si1 Li1 145.56(6) . . ?
C9 Si1 C7 108.35(5) . . ?
C9 Si1 Li1 106.57(6) . . ?
N1 Si2 C10 115.69(5) . . ?
N1 Si2 C11 114.21(5) . . ?
N1 Si2 C12 105.91(5) . . ?
N1 Si2 Li1 35.23(5) . . ?
C10 Si2 C11 106.68(6) . . ?
C10 Si2 C12 108.39(5) . . ?
C10 Si2 Li1 147.74(6) . . ?
C11 Si2 C12 105.36(6) . . ?
C11 Si2 Li1 101.23(6) . . ?
C12 Si2 Li1 78.74(5) . . ?
N2 Si3 C19 109.75(5) . . ?
N2 Si3 C20 111.99(6) . . ?
N2 Si3 C21 119.28(6) . . ?
N2 Si3 Li1 39.49(5) . . ?
C19 Si3 C20 107.98(6) . . ?
C19 Si3 Li1 103.55(5) . . ?
C20 Si3 Li1 77.95(6) . . ?
C21 Si3 C19 102.78(6) . . ?
C21 Si3 C20 104.21(7) . . ?
C21 Si3 Li1 151.39(6) . . ?
N2 Si4 C22 118.11(5) . . ?
N2 Si4 C23 112.58(5) . . ?
N2 Si4 C24 109.39(5) . . ?
N2 Si4 Li1 40.73(5) . . ?
C22 Si4 C23 103.65(6) . . ?
C22 Si4 C24 104.96(6) . . ?
C22 Si4 Li1 149.22(6) . . ?
C23 Si4 C24 107.41(5) . . ?
C23 Si4 Li1 76.64(6) . . ?
C24 Si4 Li1 104.18(5) . . ?
C25 O1 C26 108.16(9) . . ?
C25 O1 Li1 119.81(9) . . ?
C26 O1 Li1 129.37(10) . . ?
Si1 N1 Rh1 104.90(4) . . ?
Si1 N1 Li1 115.86(8) . . ?
Si2 N1 Rh1 105.67(4) . . ?
Si2 N1 Si1 123.12(5) . . ?
Si2 N1 Li1 115.01(8) . . ?
Li1 N1 Rh1 82.02(7) . . ?
Si3 N2 Rh1 112.60(4) . . ?
Si3 N2 Si4 126.39(5) . . ?
Si3 N2 Li1 108.48(8) . . ?
Si4 N2 Rh1 113.20(4) . . ?
Si4 N2 Li1 106.30(8) . . ?
Li1 N2 Rh1 78.87(7) . . ?
C2 C1 P1 121.52(8) . . ?
C6 C1 P1 118.90(8) . . ?
C6 C1 C2 119.29(10) . . ?
C1 C2 H2 119.9 . . ?
C1 C2 C3 120.15(11) . . ?
C3 C2 H2 119.9 . . ?
C2 C3 H3 119.9 . . ?
C4 C3 C2 120.15(12) . . ?
C4 C3 H3 119.9 . . ?
C3 C4 H4 120.0 . . ?
C3 C4 C5 120.06(11) . . ?
C5 C4 H4 120.0 . . ?
C4 C5 H5 120.1 . . ?
C4 C5 C6 119.79(12) . . ?
C6 C5 H5 120.1 . . ?
C1 C6 C5 120.55(11) . . ?
C1 C6 H6 119.7 . . ?
C5 C6 H6 119.7 . . ?
P1 C7 Si1 105.56(5) . . ?
P1 C7 H7A 110.6 . . ?
P1 C7 H7B 110.6 . . ?
Si1 C7 H7A 110.6 . . ?
Si1 C7 H7B 110.6 . . ?
H7A C7 H7B 108.8 . . ?
Si1 C8 H8A 109.5 . . ?
Si1 C8 H8B 109.5 . . ?
Si1 C8 H8C 109.5 . . ?
H8A C8 H8B 109.5 . . ?
H8A C8 H8C 109.5 . . ?
H8B C8 H8C 109.5 . . ?
Si1 C9 H9A 109.5 . . ?
Si1 C9 H9B 109.5 . . ?
Si1 C9 H9C 109.5 . . ?
H9A C9 H9B 109.5 . . ?
H9A C9 H9C 109.5 . . ?
H9B C9 H9C 109.5 . . ?
Si2 C10 H10A 109.5 . . ?
Si2 C10 H10B 109.5 . . ?
Si2 C10 H10C 109.5 . . ?
H10A C10 H10B 109.5 . . ?
H10A C10 H10C 109.5 . . ?
H10B C10 H10C 109.5 . . ?
Si2 C11 H11A 109.5 . . ?
Si2 C11 H11B 109.5 . . ?
Si2 C11 H11C 109.5 . . ?
H11A C11 H11B 109.5 . . ?
H11A C11 H11C 109.5 . . ?
H11B C11 H11C 109.5 . . ?
P2 C12 Si2 107.48(5) . . ?
P2 C12 H12A 110.2 . . ?
P2 C12 H12B 110.2 . . ?
Si2 C12 H12A 110.2 . . ?
Si2 C12 H12B 110.2 . . ?
H12A C12 H12B 108.5 . . ?
C14 C13 P2 121.96(9) . . ?
C14 C13 C18 118.73(10) . . ?
C18 C13 P2 119.31(9) . . ?
C13 C14 H14 119.8 . . ?
C13 C14 C15 120.37(12) . . ?
C15 C14 H14 119.8 . . ?
C14 C15 H15 119.8 . . ?
C16 C15 C14 120.44(13) . . ?
C16 C15 H15 119.8 . . ?
C15 C16 H16 120.0 . . ?
C15 C16 C17 120.00(12) . . ?
C17 C16 H16 120.0 . . ?
C16 C17 H17 120.1 . . ?
C16 C17 C18 119.86(13) . . ?
C18 C17 H17 120.1 . . ?
C13 C18 C17 120.59(12) . . ?
C13 C18 H18 119.7 . . ?
C17 C18 H18 119.7 . . ?
P2 C19 Si3 112.32(5) . . ?
P2 C19 H19A 109.1 . . ?
P2 C19 H19B 109.1 . . ?
Si3 C19 H19A 109.1 . . ?
Si3 C19 H19B 109.1 . . ?
H19A C19 H19B 107.9 . . ?
Si3 C20 H20A 109.5 . . ?
Si3 C20 H20B 109.5 . . ?
Si3 C20 H20C 109.5 . . ?
H20A C20 H20B 109.5 . . ?
H20A C20 H20C 109.5 . . ?
H20B C20 H20C 109.5 . . ?
Si3 C21 H21A 109.5 . . ?
Si3 C21 H21B 109.5 . . ?
Si3 C21 H21C 109.5 . . ?
H21A C21 H21B 109.5 . . ?
H21A C21 H21C 109.5 . . ?
H21B C21 H21C 109.5 . . ?
Si4 C22 H22B 109.5 . . ?
Si4 C22 H22C 109.5 . . ?
Si4 C22 H22A 109.5 . . ?
H22B C22 H22C 109.5 . . ?
H22B C22 H22A 109.5 . . ?
H22C C22 H22A 109.5 . . ?
Si4 C23 H23B 109.5 . . ?
Si4 C23 H23C 109.5 . . ?
Si4 C23 H23A 109.5 . . ?
H23B C23 H23C 109.5 . . ?
H23B C23 H23A 109.5 . . ?
H23C C23 H23A 109.5 . . ?
P1 C24 Si4 111.34(6) . . ?
P1 C24 H24A 109.4 . . ?
P1 C24 H24B 109.4 . . ?
Si4 C24 H24A 109.4 . . ?
Si4 C24 H24B 109.4 . . ?
H24A C24 H24B 108.0 . . ?
O1 C25 H25A 109.5 . . ?
O1 C25 H25B 109.5 . . ?
O1 C25 C26 110.78(10) . 2_655 ?
H25A C25 H25B 108.1 . . ?
C26 C25 H25A 109.5 2_655 . ?
C26 C25 H25B 109.5 2_655 . ?
O1 C26 C25 110.71(11) . 2_655 ?
O1 C26 H26A 109.5 . . ?
O1 C26 H26B 109.5 . . ?
C25 C26 H26A 109.5 2_655 . ?
C25 C26 H26B 109.5 2_655 . ?
H26A C26 H26B 108.1 . . ?
C28 C27 Rh1 121.77(8) . . ?
C32 C27 Rh1 122.64(8) . . ?
C32 C27 C28 115.43(9) . . ?
C27 C28 H28 118.6 . . ?
C29 C28 C27 122.82(10) . . ?
C29 C28 H28 118.6 . . ?
C28 C29 H29 120.0 . . ?
C30 C29 C28 120.08(11) . . ?
C30 C29 H29 120.0 . . ?
C29 C30 H30 120.7 . . ?
C29 C30 C31 118.69(10) . . ?
C31 C30 H30 120.7 . . ?
C30 C31 H31 119.6 . . ?
C30 C31 C32 120.88(11) . . ?
C32 C31 H31 119.6 . . ?
C27 C32 H32 119.0 . . ?
C31 C32 C27 122.08(10) . . ?
C31 C32 H32 119.0 . . ?
Rh1 Li1 Si1 64.95(5) . . ?
Rh1 Li1 Si2 65.48(5) . . ?
Rh1 Li1 Si3 71.42(5) . . ?
Rh1 Li1 Si4 72.33(5) . . ?
Si2 Li1 Si1 57.50(4) . . ?
Si3 Li1 Si1 136.37(7) . . ?
Si3 Li1 Si2 104.29(7) . . ?
Si4 Li1 Si1 104.56(7) . . ?
Si4 Li1 Si2 137.81(8) . . ?
Si4 Li1 Si3 60.33(4) . . ?
O1 Li1 Rh1 170.08(11) . . ?
O1 Li1 Si1 106.66(9) . . ?
O1 Li1 Si2 105.90(9) . . ?
O1 Li1 Si3 116.77(9) . . ?
O1 Li1 Si4 116.13(9) . . ?
O1 Li1 N2 133.71(12) . . ?
N1 Li1 Rh1 54.05(6) . . ?
N1 Li1 Si1 29.45(4) . . ?
N1 Li1 Si2 29.76(4) . . ?
N1 Li1 Si3 117.67(9) . . ?
N1 Li1 Si4 118.45(9) . . ?
N1 Li1 O1 116.03(11) . . ?
N1 Li1 N2 110.26(11) . . ?
N2 Li1 Rh1 56.21(6) . . ?
N2 Li1 Si1 113.89(9) . . ?
N2 Li1 Si2 114.11(9) . . ?
N2 Li1 Si3 32.03(4) . . ?
N2 Li1 Si4 32.97(4) . . ?
C34 C33 H33 119.6 . . ?
C34 C33 C38 120.7(2) . . ?
C38 C33 H33 119.6 . . ?
C33 C34 H34 120.3 . . ?
C35 C34 C33 119.4(2) . . ?
C35 C34 H34 120.3 . . ?
C34 C35 H35 120.5 . . ?
C34 C35 C36 119.1(2) . . ?
C36 C35 H35 120.5 . . ?
C35 C36 H36 118.8 . . ?
C37 C36 C35 122.3(2) . . ?
C37 C36 H36 118.8 . . ?
C36 C37 H37 120.2 . . ?
C38 C37 C36 119.6(2) . . ?
C38 C37 H37 120.2 . . ?
C33 C38 H38 120.6 . . ?
C37 C38 C33 118.8(2) . . ?
C37 C38 H38 120.6 . . ?
C40 C39 H39 120.4 . . ?
C40 C39 C44 119.1(2) . . ?
C44 C39 H39 120.4 . . ?
C39 C40 H40 119.5 . . ?
C41 C40 C39 121.1(2) . . ?
C41 C40 H40 119.5 . . ?
C40 C41 H41 119.6 . . ?
C40 C41 C42 120.7(2) . . ?
C42 C41 H41 119.6 . . ?
C41 C42 H42 120.5 . . ?
C41 C42 C43 119.0(2) . . ?
C43 C42 H42 120.5 . . ?
C42 C43 H43 119.9 . . ?
C42 C43 C44 120.2(2) . . ?
C44 C43 H43 119.9 . . ?
C39 C44 H44 120.1 . . ?
C43 C44 C39 119.8(2) . . ?
C43 C44 H44 120.1 . . ?
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 2.2979(3) . ?
Rh1 P2 2.2922(3) . ?
Rh1 N1 2.3302(9) . ?
Rh1 N2 2.4144(9) . ?
Rh1 C27 2.0427(10) . ?
Rh1 Li1 2.851(2) . ?
Rh1 H 1.47(2) . ?
P1 C1 1.8235(11) . ?
P1 C7 1.8365(11) . ?
P1 C24 1.8180(11) . ?
P2 C12 1.8284(11) . ?
P2 C13 1.8263(11) . ?
P2 C19 1.8100(11) . ?
Si1 N1 1.7251(9) . ?
Si1 C7 1.8967(12) . ?
Si1 C8 1.8745(12) . ?
Si1 C9 1.8917(11) . ?
Si1 Li1 3.157(2) . ?
Si2 N1 1.7187(10) . ?
Si2 C10 1.8812(12) . ?
Si2 C11 1.8860(12) . ?
Si2 C12 1.8960(11) . ?
Si2 Li1 3.138(2) . ?
Si3 N2 1.7107(9) . ?
Si3 C19 1.8924(11) . ?
Si3 C20 1.8929(14) . ?
Si3 C21 1.8895(13) . ?
Si3 Li1 3.059(2) . ?
Si4 N2 1.7108(9) . ?
Si4 C22 1.8794(12) . ?
Si4 C23 1.8886(12) . ?
Si4 C24 1.8930(11) . ?
Si4 Li1 3.018(2) . ?
O1 C25 1.4393(15) . ?
O1 C26 1.4410(15) . ?
O1 Li1 2.016(2) . ?
N1 Li1 1.997(2) . ?
N2 Li1 2.052(2) . ?
C1 C2 1.3957(15) . ?
C1 C6 1.3949(15) . ?
C2 H2 0.9500 . ?
C2 C3 1.3999(17) . ?
C3 H3 0.9500 . ?
C3 C4 1.387(2) . ?
C4 H4 0.9500 . ?
C4 C5 1.392(2) . ?
C5 H5 0.9500 . ?
C5 C6 1.3969(17) . ?
C6 H6 0.9500 . ?
C7 H7A 0.9900 . ?
C7 H7B 0.9900 . ?
C8 H8A 0.9800 . ?
C8 H8B 0.9800 . ?
C8 H8C 0.9800 . ?
C9 H9A 0.9800 . ?
C9 H9B 0.9800 . ?
C9 H9C 0.9800 . ?
C10 H10A 0.9800 . ?
C10 H10B 0.9800 . ?
C10 H10C 0.9800 . ?
C11 H11A 0.9800 . ?
C11 H11B 0.9800 . ?
C11 H11C 0.9800 . ?
C12 H12A 0.9900 . ?
C12 H12B 0.9900 . ?
C13 C14 1.3969(17) . ?
C13 C18 1.4012(16) . ?
C14 H14 0.9500 . ?
C14 C15 1.3998(17) . ?
C15 H15 0.9500 . ?
C15 C16 1.385(2) . ?
C16 H16 0.9500 . ?
C16 C17 1.387(2) . ?
C17 H17 0.9500 . ?
C17 C18 1.4043(17) . ?
C18 H18 0.9500 . ?
C19 H19A 0.9900 . ?
C19 H19B 0.9900 . ?
C20 H20A 0.9800 . ?
C20 H20B 0.9800 . ?
C20 H20C 0.9800 . ?
C21 H21A 0.9800 . ?
C21 H21B 0.9800 . ?
C21 H21C 0.9800 . ?
C22 H22B 0.9800 . ?
C22 H22C 0.9800 . ?
C22 H22A 0.9800 . ?
C23 H23B 0.9800 . ?
C23 H23C 0.9800 . ?
C23 H23A 0.9800 . ?
C24 H24A 0.9900 . ?
C24 H24B 0.9900 . ?
C25 H25A 0.9900 . ?
C25 H25B 0.9900 . ?
C25 C26 1.5133(18) 2_655 ?
C26 C25 1.5133(18) 2_655 ?
C26 H26A 0.9900 . ?
C26 H26B 0.9900 . ?
C27 C28 1.4145(15) . ?
C27 C32 1.4056(15) . ?
C28 H28 0.9500 . ?
C28 C29 1.3985(15) . ?
C29 H29 0.9500 . ?
C29 C30 1.3892(18) . ?
C30 H30 0.9500 . ?
C30 C31 1.3919(18) . ?
C31 H31 0.9500 . ?
C31 C32 1.4006(15) . ?
C32 H32 0.9500 . ?
C33 H33 0.9500 . ?
C33 C34 1.394(3) . ?
C33 C38 1.410(4) . ?
C34 H34 0.9500 . ?
C34 C35 1.364(3) . ?
C35 H35 0.9500 . ?
C35 C36 1.383(3) . ?
C36 H36 0.9500 . ?
C36 C37 1.372(4) . ?
C37 H37 0.9500 . ?
C37 C38 1.364(4) . ?
C38 H38 0.9500 . ?
C39 H39 0.9500 . ?
C39 C40 1.363(4) . ?
C39 C44 1.387(5) . ?
C40 H40 0.9500 . ?
C40 C41 1.360(3) . ?
C41 H41 0.9500 . ?
C41 C42 1.373(3) . ?
C42 H42 0.9500 . ?
C42 C43 1.378(3) . ?
C43 H43 0.9500 . ?
C43 C44 1.382(4) . ?
C44 H44 0.9500 . ?
