#------------------------------------------------------------------------------
#$Date: 2022-07-23 01:07:55 +0300 (Sat, 23 Jul 2022) $
#$Revision: 276785 $
#$URL: file:///home/coder/svn-repositories/cod/cif/7/13/03/7130335.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_7130335
loop_
_publ_author_name
'Broto-Ribas, Anna'
'Gutiérrez, Susana'
'Imaz, Inhar'
'Carné-Sánchez, Arnau'
'Gándara, Felipe'
'Juanhuix, Judith'
'Maspoch, Daniel'
_publ_section_title
;
 Synthesis of the Two Isomers of Heteroleptic Rh12L6L’6
 Metal-Organic Polyhedra by Screening of Complementary Linkers
;
_journal_name_full               'Chemical Communications'
_journal_paper_doi               10.1039/D2CC03220A
_journal_year                    2022
_chemical_formula_moiety
'C174 H162 N18 O60 Rh12, 2(C3 H7 N O), [+ solvents]'
_chemical_formula_sum            'C180 H176 N20 O62 Rh12'
_chemical_formula_weight         4846.32
_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   geom
_atom_sites_solution_primary     dual
_audit_creation_date             2021-07-06
_audit_creation_method
;
Olex2 1.3
(compiled 2020.11.12 svn.r5f609507 for OlexSys, GUI svn.r6272)
;
_audit_update_record
;
2021-07-08 deposited with the CCDC.	2022-07-18 downloaded from the CCDC.
;
_cell_angle_alpha                98.356(5)
_cell_angle_beta                 109.317(5)
_cell_angle_gamma                109.104(4)
_cell_formula_units_Z            1
_cell_length_a                   19.1839(14)
_cell_length_b                   19.3591(14)
_cell_length_c                   21.9788(17)
_cell_measurement_reflns_used    4367
_cell_measurement_temperature    150
_cell_measurement_theta_max      60
_cell_measurement_theta_min      1
_cell_volume                     6978.3(10)
_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)'
_diffrn_ambient_temperature      150
_diffrn_measured_fraction_theta_full 0.978
_diffrn_measured_fraction_theta_max 0.978
_diffrn_measurement_device_type  'Bruker APEX-II CCD'
_diffrn_measurement_method       'φ and ω scans'
_diffrn_radiation_type           CuK\a
_diffrn_radiation_wavelength     1.54178
_diffrn_reflns_av_R_equivalents  0.1814
_diffrn_reflns_av_unetI/netI     0.2072
_diffrn_reflns_Laue_measured_fraction_full 0.978
_diffrn_reflns_Laue_measured_fraction_max 0.978
_diffrn_reflns_limit_h_max       19
_diffrn_reflns_limit_h_min       -19
_diffrn_reflns_limit_k_max       19
_diffrn_reflns_limit_k_min       -19
_diffrn_reflns_limit_l_max       22
_diffrn_reflns_limit_l_min       -22
_diffrn_reflns_number            45605
_diffrn_reflns_point_group_measured_fraction_full 0.978
_diffrn_reflns_point_group_measured_fraction_max 0.978
_diffrn_reflns_theta_full        50.882
_diffrn_reflns_theta_max         50.882
_diffrn_reflns_theta_min         2.222
_diffrn_source                   Cu
_exptl_absorpt_coefficient_mu    6.108
_exptl_absorpt_correction_type   multi-scan
_exptl_crystal_colour_primary    green
_exptl_crystal_density_diffrn    1.153
_exptl_crystal_description       prism
_exptl_crystal_F_000             2432
_exptl_crystal_size_max          0.08
_exptl_crystal_size_mid          0.08
_exptl_crystal_size_min          0.04
_exptl_transmission_factor_max   1
_exptl_transmission_factor_min   0.7544
_refine_diff_density_max         1.463
_refine_diff_density_min         -1.070
_refine_diff_density_rms         0.130
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   0.923
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     1190
_refine_ls_number_reflns         14581
_refine_ls_number_restraints     470
_refine_ls_restrained_S_all      0.912
_refine_ls_R_factor_all          0.1575
_refine_ls_R_factor_gt           0.0806
_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)+(0.1135P)²] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1990
_refine_ls_wR_factor_ref         0.2417
_reflns_Friedel_coverage         0.000
_reflns_number_gt                6823
_reflns_number_total             14581
_reflns_threshold_expression     'I > 2σ(I)'
_cod_data_source_file            d2cc03220a2.cif
_cod_data_source_block           1_a_res_in_p-1
_cod_original_cell_volume        6978.3(9)
_cod_database_code               7130335
_shelx_shelxl_version_number     2018/3
_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.
;
_exptl_absorpt_special_details
'SADABS-2016/2 (Bunker,2016/2) was used for absortion correction. wR2(int)'
_olex2_refinement_description
;
1. Fixed Uiso
 At 1.2 times of:
  All C(H) groups
 At 1.5 times of:
  All C(H,H,H) groups
2. Restrained distances
 C21I-C16I \\sim C21I-C24I \\sim C21I-C23I \\sim C21I-C22I \\sim C21I-C22J
\\sim C21I-C23J \\sim C21I-
 C24J
 with sigma of 0.02
 C9I-C10I \\sim C9I-C4I \\sim C9I-C12I \\sim C9I-C11I \\sim C9I-C11J \\sim
C9I-C12J \\sim C9I-C10J
 with sigma of 0.02
 C34J-C35J \\sim C34J-C36J \\sim C35J-C36J \\sim C34I-C35I \\sim C34I-C36I
\\sim C35I-C36I
 with sigma of 0.04
 C33J-C34J \\sim C33J-C35J \\sim C33J-C36J \\sim C33J-C28I \\sim C33J-C34I
\\sim C33J-C35I \\sim C33J-
 C36I
 with sigma of 0.02
 C34I-C35I \\sim C34I-C36I \\sim C35I-C36I
 with sigma of 0.04
 C10I-C12I \\sim C12I-C11I \\sim C11J-C12J \\sim C12J-C10J
 with sigma of 0.04
3. Rigid bond restraints
 O4D, C10D, N4D, C11D, C12D
 with sigma for 1-2 distances of 0.01 and sigma for 1-3 distances of 0.01
 C36I, C33J, C36J, C35I, C35J, C34I, C34J, C28I
 with sigma for 1-2 distances of 0.01 and sigma for 1-3 distances of 0.01
 O10A, C29A, C30A, O9A
 with sigma for 1-2 distances of 0.01 and sigma for 1-3 distances of 0.01
 O4A, C8A, O3A, C9A
 with sigma for 1-2 distances of 0.01 and sigma for 1-3 distances of 0.01
 C9D, N3D, C8D, C7D, O3D
 with sigma for 1-2 distances of 0.01 and sigma for 1-3 distances of 0.01
4. Uiso/Uaniso restraints and constraints
C22I \\sim C22J \\sim C21I \\sim C23I \\sim C24I \\sim C24J \\sim C23J: within
2A with sigma of 0.04 and sigma for terminal atoms of 0.08 within 2A
O4D \\sim C10D \\sim N4D \\sim C11D \\sim C12D: within 2A with sigma of 0.04
and sigma for terminal atoms of 0.08 within 2A
C36J \\sim C33J \\sim C35J \\sim C34I \\sim C34J \\sim C35I \\sim C36I \\sim
C28I: within 2A with sigma of 0.04 and sigma for terminal atoms of 0.08 within
2A
Uanis(C1D) = Uanis(N1D) = Uanis(C3D) = Uanis(C2D) = Uanis(O1D)
Uanis(C7I) = Uanis(C2I) = Uanis(C3I) = Uanis(C6I) = Uanis(C4I) = Uanis(C8I)
Uanis(C25I) = Uanis(O9I) = Uanis(C26I) = Uanis(O10I)
Uanis(C22J) = Uanis(C21I) = Uanis(C23J) = Uanis(C24J)
Uanis(C35J) = Uanis(C33J) = Uanis(C36J)
Uanis(C6D) = Uanis(N2D) = Uanis(C5D) = Uanis(C4D) = Uanis(O2D)
5. Rigid body (RIGU) restrains
 C23J, C22J, C24J, C21I, C16I
 with sigma for 1-2 distances of 0.004 and sigma for 1-3 distances of 0.004
 C11I, C10I, C12I, C9I, C4I
 with sigma for 1-2 distances of 0.004 and sigma for 1-3 distances of 0.004
 C22I, C23I, C21I, C24I, C16I
 with sigma for 1-2 distances of 0.004 and sigma for 1-3 distances of 0.004
 C10J, C11J, C12J, C9I, C4I
 with sigma for 1-2 distances of 0.004 and sigma for 1-3 distances of 0.004
 C34I, C36I, C35I, C33J, C28I
 with sigma for 1-2 distances of 0.004 and sigma for 1-3 distances of 0.004
 C34J, C36J, C35J, C33J, C28I
 with sigma for 1-2 distances of 0.004 and sigma for 1-3 distances of 0.004
6. Others
 Sof(C11J)=Sof(H11E)=Sof(H11F)=Sof(H11G)=Sof(C12J)=Sof(H12E)=Sof(H12F)=
 Sof(H12G)=Sof(C10J)=Sof(H10E)=Sof(H10F)=Sof(H10G)=1-FVAR(1)
 Sof(C10I)=Sof(H10B)=Sof(H10C)=Sof(H10D)=Sof(C12I)=Sof(H12B)=Sof(H12C)=
 Sof(H12D)=Sof(C11I)=Sof(H11B)=Sof(H11C)=Sof(H11D)=FVAR(1)
 Fixed Sof: C34J(0.27875) H34A(0.27875) H34B(0.27875) H34C(0.27875)
 C35J(0.27875) H35B(0.27875) H35C(0.27875) H35D(0.27875) C36J(0.27875)
 H36A(0.27875) H36B(0.27875) H36C(0.27875) C24I(0.73335) H24B(0.73335)
 H24C(0.73335) H24D(0.73335) C23I(0.73335) H23A(0.73335) H23B(0.73335)
 H23C(0.73335) C22I(0.73335) H22A(0.73335) H22B(0.73335) H22C(0.73335)
 C34I(0.72125) H34D(0.72125) H34E(0.72125) H34F(0.72125) C35I(0.72125)
 H35E(0.72125) H35F(0.72125) H35G(0.72125) C36I(0.72125) H36D(0.72125)
 H36E(0.72125) H36F(0.72125) C22J(0.26665) H22D(0.26665) H22E(0.26665)
 H22F(0.26665) C23J(0.26665) H23D(0.26665) H23E(0.26665) H23F(0.26665)
 C24J(0.26665) H24E(0.26665) H24F(0.26665) H24G(0.26665)
7.a Me refined with riding coordinates:
 C12D(H12H,H12I,H12J), C11D(H11H,H11I,H11J), C2D(H2DA,H2DB,H2DC), C3D(H3DA,
 H3DB,H3DC), C5D(H5DA,H5DB,H5DC), C6D(H6DA,H6DB,H6DC), C8D(H8DA,H8DB,H8DC),
 C9D(H9DA,H9DB,H9DC), C34J(H34A,H34B,H34C), C35J(H35B,H35C,H35D), C36J(H36A,
 H36B,H36C), C10I(H10B,H10C,H10D), C12I(H12B,H12C,H12D), C11I(H11B,H11C,H11D),
 C24I(H24B,H24C,H24D), C23I(H23A,H23B,H23C), C22I(H22A,H22B,H22C), C34I(H34D,
 H34E,H34F), C35I(H35E,H35F,H35G), C36I(H36D,H36E,H36F), C22J(H22D,H22E,H22F),
 C23J(H23D,H23E,H23F), C24J(H24E,H24F,H24G), C11J(H11E,H11F,H11G), C12J(H12E,
 H12F,H12G), C10J(H10E,H10F,H10G)
7.b Aromatic/amide H refined with riding coordinates:
 C14A(H14A), C31A(H31A), C17I(H17I), C21A(H21A), C42A(H42A), C28A(H28A),
 C7A(H7A), C3I(H3I), C19I(H19I), C27I(H27I), C25A(H25A), C17A(H17A), C35A(H35A),
  C15I(H15I), C26A(H26A), C3A(H3A), C29I(H29I), C33A(H33A), C38A(H38A),
 C11A(H11A), C12A(H12A), C31I(H31I), C40A(H40A), C24A(H24A), C19A(H19A),
 C7I(H7I), C32A(H32A), C10A(H10A), C39A(H39A), C18A(H18A), C5I(H5I), C5A(H5A),
 C4A(H4A), C10D(H10H), C1D(H1D), C4D(H4D), C7D(H7D)
;
_smtbx_masks_void_probe_radius   1.2
_smtbx_masks_void_truncation_radius 1.2
_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
Rh4 Rh 0.03021(8) 0.61882(7) 0.78869(7) 0.0517(4) Uani 1 1 d . . . . .
Rh3 Rh 0.06824(8) 0.68233(7) 0.90348(7) 0.0501(4) Uani 1 1 d . . . . .
Rh6 Rh 0.34114(8) 0.49545(8) 0.66532(7) 0.0535(4) Uani 1 1 d . . . . .
Rh2 Rh 0.22532(8) 0.85286(7) 0.55475(7) 0.0571(4) Uani 1 1 d . . . . .
Rh5 Rh 0.47065(8) 0.51993(8) 0.74771(7) 0.0546(4) Uani 1 1 d . . . . .
Rh1 Rh 0.32673(8) 0.97969(7) 0.60907(7) 0.0560(4) Uani 1 1 d . . . . .
O8A O 0.5044(6) 0.4963(6) 0.6735(6) 0.047(3) Uani 1 1 d . . . . .
O9A O -0.0050(6) 0.4186(6) 0.0868(6) 0.050(3) Uani 1 1 d . U . . .
O12A O 0.3547(7) 0.9748(7) 0.5282(6) 0.060(3) Uani 1 1 d . . . . .
O10A O 0.0274(7) 0.4785(6) 0.1939(6) 0.056(3) Uani 1 1 d . U . . .
O8I O 0.3117(6) 0.5273(7) 0.7410(6) 0.059(3) Uani 1 1 d . . . . .
O4A O 0.4268(7) 0.4097(6) 0.7445(6) 0.057(3) Uani 1 1 d . U . . .
O9I O 0.5025(6) 0.6293(6) 0.7488(5) 0.0515(18) Uani 1 1 d . . . . .
O10I O 0.3819(7) 0.6011(6) 0.6621(5) 0.0515(18) Uani 1 1 d . . . . .
O7A O 0.3788(7) 0.4625(6) 0.5962(5) 0.049(3) Uani 1 1 d . . . . .
O3A O 0.3026(6) 0.3899(6) 0.6729(6) 0.052(3) Uani 1 1 d . U . . .
O1A O -0.2462(7) -0.0210(6) 0.4376(6) 0.061(3) Uani 1 1 d . . . . .
O4I O 0.0915(7) 0.7182(6) 0.7780(6) 0.060(3) Uani 1 1 d . . . . .
O7I O 0.4328(7) 0.5425(6) 0.8194(5) 0.053(3) Uani 1 1 d . . . . .
O5I O 0.1661(6) 0.6572(7) 0.9270(6) 0.059(3) Uani 1 1 d . . . . .
O2A O -0.1492(6) 0.1013(7) 0.4873(5) 0.052(3) Uani 1 1 d . . . . .
O3I O 0.1259(6) 0.7805(5) 0.8864(6) 0.052(3) Uani 1 1 d . . . . .
O1I O 0.2952(8) 0.9780(7) 0.6879(5) 0.064(3) Uani 1 1 d . . . . .
O11I O 0.4044(7) 0.9331(7) 0.6525(6) 0.065(3) Uani 1 1 d . . . . .
O2D O 0.1028(11) 0.7487(10) 1.0092(9) 0.134(4) Uani 1 1 d . . . . .
O2I O 0.1998(7) 0.8568(7) 0.6358(6) 0.066(4) Uani 1 1 d . . . . .
O5A O 0.0325(7) 0.2986(7) 0.1264(7) 0.060(3) Uani 1 1 d . . . . .
O3D O 0.5966(7) 0.5456(7) 0.8256(6) 0.068(4) Uani 1 1 d . U . . .
O6I O 0.1289(7) 0.5988(6) 0.8175(7) 0.055(3) Uani 1 1 d . . . . .
O11A O 0.2549(7) 0.8534(6) 0.4752(5) 0.066(4) Uani 1 1 d . . . . .
O6A O 0.0698(7) 0.3597(7) 0.2353(7) 0.064(3) Uani 1 1 d . . . . .
O12I O 0.3082(7) 0.8132(6) 0.5987(6) 0.060(3) Uani 1 1 d . . . . .
O3H O 0.2158(8) 0.4716(8) 0.5860(7) 0.089(4) Uani 1 1 d . . . . .
O1D O 0.4254(10) 1.0995(8) 0.6610(9) 0.115(3) Uani 1 1 d . . . . .
N3A N 0.3384(10) 0.3680(8) 0.3600(8) 0.059(4) Uani 1 1 d . . . . .
O2H O -0.0011(8) 0.5619(8) 0.6768(7) 0.088(4) Uani 1 1 d . . . . .
N1A N 0.0970(13) 0.0568(12) 0.6309(9) 0.081(5) Uani 1 1 d . . . . .
C25I C 0.4521(11) 0.6474(9) 0.7051(9) 0.0515(18) Uani 1 1 d . . . . .
N4A N 0.4019(9) 0.3554(8) 0.3766(9) 0.068(5) Uani 1 1 d . . . . .
N5A N 0.2243(10) 0.7397(10) 0.2480(8) 0.068(5) Uani 1 1 d . . . . .
C9A C 0.3184(11) 0.2843(10) 0.7079(9) 0.045(4) Uani 1 1 d . U . . .
C30I C 0.4419(12) 0.8347(11) 0.6758(9) 0.053(5) Uani 1 1 d . . . . .
C26I C 0.4770(11) 0.7311(9) 0.7074(9) 0.0515(18) Uani 1 1 d . . . . .
C32I C 0.3789(11) 0.8624(11) 0.6373(8) 0.046(5) Uani 1 1 d . . . . .
N6A N 0.2822(12) 0.7912(11) 0.2487(9) 0.080(5) Uani 1 1 d . . . . .
C20I C 0.3625(13) 0.5450(10) 0.8021(11) 0.059(5) Uani 1 1 d . . . . .
C29A C 0.0317(9) 0.4763(9) 0.1370(10) 0.049(4) Uani 1 1 d . U . . .
C30A C 0.0844(10) 0.5490(10) 0.1304(10) 0.055(5) Uani 1 1 d . U . . .
C27A C 0.4494(11) 0.3854(9) 0.4468(10) 0.049(5) Uani 1 1 d . . . . .
C8I C 0.1273(12) 0.7788(12) 0.8285(12) 0.070(2) Uani 1 1 d . . . . .
N2A N 0.1221(10) 0.1231(10) 0.6313(8) 0.069(5) Uani 1 1 d . . . . .
C14I C 0.2538(10) 0.6107(10) 0.8972(10) 0.049(5) Uani 1 1 d . . . . .
C15A C 0.0825(11) 0.3268(10) 0.1888(11) 0.048(5) Uani 1 1 d . . . . .
C1A C -0.1742(12) 0.0281(13) 0.4770(9) 0.057(5) Uani 1 1 d . . . . .
C16A C 0.1618(11) 0.3207(10) 0.2077(12) 0.056(5) Uani 1 1 d . . . . .
C14A C 0.2419(13) 0.2448(12) 0.6728(9) 0.065(5) Uani 1 1 d . . . . .
H14A H 0.208136 0.266145 0.649697 0.078 Uiso 1 1 calc R U . . .
C8A C 0.3549(11) 0.3663(10) 0.7075(8) 0.042(4) Uani 1 1 d . U . . .
C31A C 0.1008(12) 0.5530(11) 0.0727(10) 0.070(6) Uani 1 1 d . . . . .
H31A H 0.075843 0.509751 0.035996 0.084 Uiso 1 1 calc R U . . .
C17I C 0.3932(10) 0.5855(11) 0.9243(10) 0.064(5) Uani 1 1 d . . . . .
H17I H 0.441978 0.580437 0.933534 0.077 Uiso 1 1 calc R U . . .
C21A C 0.2139(14) 0.3470(11) 0.2735(11) 0.063(6) Uani 1 1 d . . . . .
H21A H 0.199680 0.367015 0.306408 0.075 Uiso 1 1 calc R U . . .
C22A C 0.4491(15) 0.4679(11) 0.6132(12) 0.066(6) Uani 1 1 d . . . . .
C42A C 0.2940(11) 0.8518(10) 0.3634(11) 0.061(5) Uani 1 1 d . . . . .
H42A H 0.246828 0.812831 0.358387 0.073 Uiso 1 1 calc R U . . .
C13I C 0.1785(11) 0.6227(11) 0.8801(11) 0.053(5) Uani 1 1 d . . . . .
C28A C 0.4235(11) 0.4105(9) 0.4940(9) 0.050(5) Uani 1 1 d . . . . .
H28A H 0.371641 0.409163 0.481261 0.061 Uiso 1 1 calc R U . . .
C6A C 0.0140(13) 0.0128(13) 0.5888(10) 0.063(5) Uani 1 1 d . . . . .
C2A C -0.1180(12) -0.0068(12) 0.5125(11) 0.065(6) Uani 1 1 d . . . . .
C41A C 0.3219(13) 0.8517(12) 0.3120(10) 0.066(6) Uani 1 1 d . . . . .
C7A C -0.0390(15) 0.0432(11) 0.5548(11) 0.074(6) Uani 1 1 d . . . . .
H7A H -0.022053 0.095370 0.560362 0.088 Uiso 1 1 calc R U . . .
C3I C 0.2632(11) 0.9853(10) 0.8028(10) 0.070(2) Uani 1 1 d . . . . .
H3I H 0.293533 1.030867 0.797730 0.084 Uiso 1 1 calc R U . . .
C19I C 0.2711(11) 0.5812(9) 0.8445(9) 0.055(5) Uani 1 1 d . . . . .
H19I H 0.235807 0.570005 0.799984 0.066 Uiso 1 1 calc R U . . .
C20A C 0.2858(16) 0.3434(11) 0.2898(11) 0.072(6) Uani 1 1 d . . . . .
C27I C 0.5527(11) 0.7842(12) 0.7516(10) 0.077(6) Uani 1 1 d . . . . .
H27I H 0.588595 0.768127 0.779574 0.092 Uiso 1 1 calc R U . . .
C25A C 0.5798(11) 0.4160(11) 0.5326(12) 0.069(6) Uani 1 1 d . . . . .
H25A H 0.631463 0.416834 0.545414 0.083 Uiso 1 1 calc R U . . .
C13A C 0.2120(12) 0.1647(12) 0.6717(9) 0.066(5) Uani 1 1 d . . . . .
C17A C 0.1851(15) 0.2942(12) 0.1609(12) 0.081(6) Uani 1 1 d . . . . .
H17A H 0.148421 0.274330 0.116132 0.097 Uiso 1 1 calc R U . . .
C35A C 0.1256(11) 0.6107(12) 0.1843(10) 0.067(6) Uani 1 1 d . . . . .
H35A H 0.115098 0.609244 0.222627 0.080 Uiso 1 1 calc R U . . .
C34A C 0.1846(14) 0.6779(12) 0.1845(11) 0.074(6) Uani 1 1 d . . . . .
C15I C 0.3040(13) 0.6235(9) 0.9631(10) 0.067(6) Uani 1 1 d . . . . .
H15I H 0.290784 0.640871 0.997703 0.080 Uiso 1 1 calc R U . . .
C26A C 0.5290(12) 0.3874(11) 0.4659(10) 0.060(5) Uani 1 1 d . . . . .
H26A H 0.545758 0.369743 0.433904 0.072 Uiso 1 1 calc R U . . .
C36A C 0.3146(12) 0.9126(12) 0.4794(11) 0.064(5) Uani 1 1 d . . . . .
C2I C 0.2278(11) 0.9182(10) 0.7483(10) 0.070(2) Uani 1 1 d . . . . .
C3A C -0.1453(12) -0.0831(11) 0.5073(11) 0.074(6) Uani 1 1 d . . . . .
H3A H -0.198758 -0.115317 0.480031 0.089 Uiso 1 1 calc R U . . .
C1I C 0.2425(13) 0.9168(15) 0.6871(12) 0.066(6) Uani 1 1 d . . . . .
C37A C 0.3385(11) 0.9113(12) 0.4214(10) 0.061(5) Uani 1 1 d . . . . .
C29I C 0.5199(14) 0.8860(12) 0.7177(11) 0.078(6) Uani 1 1 d . . . . .
H29I H 0.534417 0.937608 0.720731 0.094 Uiso 1 1 calc R U . . .
C33A C 0.1952(12) 0.6789(12) 0.1262(12) 0.075(6) Uani 1 1 d . . . . .
H33A H 0.232938 0.722342 0.124286 0.091 Uiso 1 1 calc R U . . .
C23A C 0.4773(13) 0.4378(10) 0.5610(11) 0.060(5) Uani 1 1 d . . . . .
C38A C 0.4080(13) 0.9672(12) 0.4269(10) 0.073(6) Uani 1 1 d . . . . .
H38A H 0.437724 1.007389 0.466125 0.087 Uiso 1 1 calc R U . . .
C18I C 0.3425(12) 0.5687(10) 0.8596(10) 0.062(5) Uani 1 1 d . . . . .
C11A C 0.3414(13) 0.1776(12) 0.7407(10) 0.076(6) Uani 1 1 d . . . . .
H11A H 0.376844 0.157340 0.763010 0.091 Uiso 1 1 calc R U . . .
C12A C 0.2609(13) 0.1338(12) 0.7065(10) 0.071(6) Uani 1 1 d . . . . .
H12A H 0.239636 0.083349 0.707039 0.085 Uiso 1 1 calc R U . . .
C31I C 0.4212(11) 0.7563(12) 0.6710(8) 0.070(6) Uani 1 1 d . . . . .
H31I H 0.369289 0.721129 0.642838 0.083 Uiso 1 1 calc R U . . .
C40A C 0.3914(12) 0.9074(13) 0.3184(12) 0.085(7) Uani 1 1 d . . . . .
H40A H 0.409964 0.906801 0.284298 0.102 Uiso 1 1 calc R U . . .
C24A C 0.5575(12) 0.4444(10) 0.5833(11) 0.069(6) Uani 1 1 d . . . . .
H24A H 0.593517 0.465871 0.628142 0.083 Uiso 1 1 calc R U . . .
C21I C 0.4308(10) 0.6235(11) 1.0496(8) 0.082(5) Uani 1 1 d D U . . .
C6I C 0.1741(12) 0.8514(11) 0.8182(10) 0.070(2) Uani 1 1 d . . . . .
C19A C 0.3145(12) 0.3187(12) 0.2449(12) 0.079(7) Uani 1 1 d . . . . .
H19A H 0.365498 0.317825 0.259326 0.095 Uiso 1 1 calc R U . . .
C7I C 0.1805(11) 0.8520(10) 0.7582(10) 0.070(2) Uani 1 1 d . . . . .
H7I H 0.152785 0.807201 0.722944 0.084 Uiso 1 1 calc R U . . .
C28I C 0.5768(11) 0.8623(12) 0.7551(11) 0.088(6) Uani 1 1 d D U . . .
C32A C 0.1506(12) 0.6164(12) 0.0697(11) 0.079(6) Uani 1 1 d . . . . .
H32A H 0.156059 0.619392 0.029569 0.095 Uiso 1 1 calc R U . . .
C10A C 0.3693(10) 0.2555(12) 0.7410(10) 0.075(6) Uani 1 1 d . . . . .
H10A H 0.423781 0.287000 0.764520 0.090 Uiso 1 1 calc R U . . .
C39A C 0.4336(13) 0.9661(12) 0.3798(13) 0.089(7) Uani 1 1 d . . . . .
H39A H 0.481548 1.005261 0.386286 0.107 Uiso 1 1 calc R U . . .
C18A C 0.2642(15) 0.2956(14) 0.1780(14) 0.105(8) Uani 1 1 d . . . . .
H18A H 0.281089 0.281333 0.144926 0.126 Uiso 1 1 calc R U . . .
C5I C 0.2128(14) 0.9172(11) 0.8690(11) 0.096(7) Uani 1 1 d . . . . .
H5I H 0.210579 0.915124 0.910341 0.115 Uiso 1 1 calc R U . . .
C9I C 0.3082(15) 1.0608(10) 0.9279(10) 0.138(9) Uani 1 1 d D . . . .
C5A C -0.0136(15) -0.0650(14) 0.5842(12) 0.089(7) Uani 1 1 d . . . . .
H5A H 0.020652 -0.085182 0.608433 0.107 Uiso 1 1 calc R U . . .
C4A C -0.0938(16) -0.1112(12) 0.5423(14) 0.097(8) Uani 1 1 d . . . . .
H4A H -0.112639 -0.163206 0.538119 0.116 Uiso 1 1 calc R U . . .
N4D N 0.2147(15) 0.5997(17) 0.4158(16) 0.152(9) Uani 1 1 d . U . . .
C12D C 0.188(2) 0.537(2) 0.3578(18) 0.191(14) Uani 1 1 d . U . . .
H12H H 0.179929 0.490996 0.370660 0.286 Uiso 1 1 calc R U . . .
H12I H 0.137824 0.532977 0.324812 0.286 Uiso 1 1 calc R U . . .
H12J H 0.227646 0.546469 0.339257 0.286 Uiso 1 1 calc R U . . .
C10D C 0.228(2) 0.603(3) 0.485(2) 0.177(11) Uani 1 1 d . U . . .
H10H H 0.247360 0.643963 0.522749 0.212 Uiso 1 1 calc R U . . .
O4D O 0.2004(16) 0.5213(19) 0.4759(18) 0.264(16) Uani 1 1 d . U . . .
C11D C 0.226(3) 0.664(2) 0.399(2) 0.244(19) Uani 1 1 d . U . . .
H11H H 0.243928 0.705344 0.438628 0.365 Uiso 1 1 calc R U . . .
H11I H 0.265966 0.673912 0.380902 0.365 Uiso 1 1 calc R U . . .
H11J H 0.176143 0.660420 0.366456 0.365 Uiso 1 1 calc R U . . .
N1D N 0.4772(14) 1.2179(11) 0.6566(12) 0.115(3) Uani 1 1 d . . . . .
C2D C 0.4654(15) 1.2739(12) 0.6187(13) 0.115(3) Uani 1 1 d . . . . .
H2DA H 0.507701 1.323372 0.643570 0.172 Uiso 1 1 calc R U . . .
H2DB H 0.466629 1.258403 0.575671 0.172 Uiso 1 1 calc R U . . .
H2DC H 0.414184 1.275841 0.612386 0.172 Uiso 1 1 calc R U . . .
C1D C 0.4288(16) 1.1478(14) 0.6342(15) 0.115(3) Uani 1 1 d . . . . .
H1D H 0.390788 1.132849 0.590173 0.137 Uiso 1 1 calc R U . . .
C3D C 0.5413(16) 1.2390(12) 0.7180(13) 0.115(3) Uani 1 1 d . . . . .
H3DA H 0.573734 1.292548 0.730136 0.172 Uiso 1 1 calc R U . . .
H3DB H 0.521155 1.228170 0.751635 0.172 Uiso 1 1 calc R U . . .
H3DC H 0.573444 1.210781 0.714727 0.172 Uiso 1 1 calc R U . . .
C4D C 0.0485(18) 0.7292(17) 1.0301(15) 0.134(4) Uani 1 1 d . . . . .
H4D H -0.000070 0.687503 1.004630 0.161 Uiso 1 1 calc R U . . .
N2D N 0.0627(14) 0.7713(13) 1.0917(11) 0.134(4) Uani 1 1 d . . . . .
C5D C 0.1317(16) 0.8424(15) 1.1301(13) 0.134(4) Uani 1 1 d . . . . .
H5DA H 0.128898 0.861605 1.171706 0.201 Uiso 1 1 calc R U . . .
H5DB H 0.180322 0.834098 1.139417 0.201 Uiso 1 1 calc R U . . .
H5DC H 0.131541 0.878876 1.104804 0.201 Uiso 1 1 calc R U . . .
C6D C -0.0036(16) 0.7351(15) 1.1143(13) 0.134(4) Uani 1 1 d . . . . .
H6DA H 0.008270 0.766048 1.157717 0.201 Uiso 1 1 calc R U . . .
H6DB H -0.054141 0.731104 1.082536 0.201 Uiso 1 1 calc R U . . .
H6DC H -0.006942 0.685138 1.117098 0.201 Uiso 1 1 calc R U . . .
N3D N 0.7106(11) 0.5173(11) 0.8378(12) 0.109(6) Uani 1 1 d . U . . .
C8D C 0.7496(19) 0.5600(18) 0.9072(17) 0.198(15) Uani 1 1 d . U . . .
H8DA H 0.802298 0.559863 0.926354 0.298 Uiso 1 1 calc R U . . .
H8DB H 0.754365 0.611596 0.911082 0.298 Uiso 1 1 calc R U . . .
H8DC H 0.718177 0.537387 0.930716 0.298 Uiso 1 1 calc R U . . .
C9D C 0.7403(19) 0.4760(16) 0.799(2) 0.189(14) Uani 1 1 d . U . . .
H9DA H 0.793905 0.482638 0.826792 0.283 Uiso 1 1 calc R U . . .
H9DB H 0.705450 0.422709 0.783050 0.283 Uiso 1 1 calc R U . . .
H9DC H 0.741283 0.495248 0.761203 0.283 Uiso 1 1 calc R U . . .
C7D C 0.6328(12) 0.5152(13) 0.8064(12) 0.082(6) Uani 1 1 d . U . . .
H7D H 0.604510 0.483998 0.762329 0.098 Uiso 1 1 calc R U . . .
O1H O 0.1165(9) 0.7311(6) 0.4907(8) 0.109(6) Uani 1 1 d . . . . .
C34J C 0.687(4) 1.000(2) 0.789(4) 0.091(11) Uani 0.2787 1 d D U P A 1
H34A H 0.674164 0.995590 0.742227 0.137 Uiso 0.2787 1 calc R U P A 1
H34B H 0.656760 1.025359 0.803542 0.137 Uiso 0.2787 1 calc R U P A 1
H34C H 0.743325 1.029711 0.814730 0.137 Uiso 0.2787 1 calc R U P A 1
C35J C 0.715(4) 0.885(3) 0.776(3) 0.098(6) Uani 0.2787 1 d D U P A 1
H35B H 0.703149 0.882106 0.729603 0.147 Uiso 0.2787 1 calc R U P A 1
H35C H 0.771163 0.915487 0.802636 0.147 Uiso 0.2787 1 calc R U P A 1
H35D H 0.702508 0.834010 0.781125 0.147 Uiso 0.2787 1 calc R U P A 1
C36J C 0.682(4) 0.924(4) 0.8737(17) 0.098(6) Uani 0.2787 1 d D U P A 1
H36A H 0.735968 0.960239 0.901033 0.147 Uiso 0.2787 1 calc R U P A 1
H36B H 0.644796 0.939492 0.886632 0.147 Uiso 0.2787 1 calc R U P A 1
H36C H 0.676131 0.874650 0.879924 0.147 Uiso 0.2787 1 calc R U P A 1
C10I C 0.294(5) 1.121(4) 0.885(3) 0.18(3) Uani 0.41(6) 1 d D . P B 1
H10B H 0.321837 1.171998 0.915293 0.263 Uiso 0.41(6) 1 calc R U P B 1
H10C H 0.314419 1.117322 0.851253 0.263 Uiso 0.41(6) 1 calc R U P B 1
H10D H 0.237342 1.109524 0.864844 0.263 Uiso 0.41(6) 1 calc R U P B 1
C4I C 0.2548(11) 0.9862(10) 0.8634(9) 0.070(2) Uani 1 1 d D . . . .
C12I C 0.261(4) 1.057(3) 0.977(3) 0.15(3) Uani 0.41(6) 1 d D . P B 1
H12B H 0.291005 1.100851 1.015766 0.226 Uiso 0.41(6) 1 calc R U P B 1
H12C H 0.208526 1.056879 0.953206 0.226 Uiso 0.41(6) 1 calc R U P B 1
H12D H 0.254119 1.011535 0.990939 0.226 Uiso 0.41(6) 1 calc R U P B 1
C11I C 0.394(4) 1.054(7) 0.966(4) 0.21(4) Uani 0.41(6) 1 d D . P B 1
H11B H 0.427700 1.097440 1.004544 0.313 Uiso 0.41(6) 1 calc R U P B 1
H11C H 0.383755 1.008277 0.979391 0.313 Uiso 0.41(6) 1 calc R U P B 1
H11D H 0.419931 1.052963 0.935422 0.313 Uiso 0.41(6) 1 calc R U P B 1
C16I C 0.3750(11) 0.6105(11) 0.9782(9) 0.060(5) Uani 1 1 d D . . . .
C24I C 0.456(2) 0.5584(18) 1.0568(16) 0.108(9) Uani 0.7333 1 d D U P C 1
H24B H 0.483193 0.552861 1.028090 0.162 Uiso 0.7333 1 calc R U P C 1
H24C H 0.491455 0.568363 1.102692 0.162 Uiso 0.7333 1 calc R U P C 1
H24D H 0.408961 0.512231 1.044303 0.162 Uiso 0.7333 1 calc R U P C 1
C23I C 0.5012(18) 0.6969(18) 1.0670(15) 0.130(12) Uani 0.7333 1 d D U P C 1
H23A H 0.525875 0.693137 1.035830 0.194 Uiso 0.7333 1 calc R U P C 1
H23B H 0.483183 0.737576 1.064635 0.194 Uiso 0.7333 1 calc R U P C 1
H23C H 0.539842 0.707057 1.111788 0.194 Uiso 0.7333 1 calc R U P C 1
C22I C 0.390(3) 0.626(3) 1.096(3) 0.104(13) Uani 0.7333 1 d D U P C 1
H22A H 0.344843 0.577466 1.083486 0.156 Uiso 0.7333 1 calc R U P C 1
H22B H 0.427002 0.634945 1.141476 0.156 Uiso 0.7333 1 calc R U P C 1
H22C H 0.370343 0.665463 1.094323 0.156 Uiso 0.7333 1 calc R U P C 1
C34I C 0.711(2) 0.947(2) 0.7582(17) 0.172(13) Uani 0.7213 1 d D U P A 2
H34D H 0.764533 0.983312 0.787647 0.258 Uiso 0.7213 1 calc R U P A 2
H34E H 0.713438 0.904634 0.732242 0.258 Uiso 0.7213 1 calc R U P A 2
H34F H 0.684568 0.971476 0.728563 0.258 Uiso 0.7213 1 calc R U P A 2
C35I C 0.7102(18) 0.8892(18) 0.8535(15) 0.126(11) Uani 0.7213 1 d D U P A 2
H35E H 0.680041 0.872097 0.879506 0.189 Uiso 0.7213 1 calc R U P A 2
H35F H 0.717884 0.847441 0.831459 0.189 Uiso 0.7213 1 calc R U P A 2
H35G H 0.761759 0.929135 0.882542 0.189 Uiso 0.7213 1 calc R U P A 2
C36I C 0.658(2) 0.9897(19) 0.840(2) 0.173(13) Uani 0.7213 1 d D U P A 2
H36D H 0.628023 0.973129 0.866763 0.260 Uiso 0.7213 1 calc R U P A 2
H36E H 0.711213 1.026492 0.869478 0.260 Uiso 0.7213 1 calc R U P A 2
H36F H 0.630952 1.012556 0.809665 0.260 Uiso 0.7213 1 calc R U P A 2
C33J C 0.6633(10) 0.9200(10) 0.7999(10) 0.098(6) Uani 1 1 d D U . . .
C22J C 0.399(9) 0.645(9) 1.100(6) 0.082(5) Uani 0.2666 1 d D U P C 2
H22D H 0.413563 0.699489 1.110879 0.123 Uiso 0.2666 1 calc R U P C 2
H22E H 0.341547 0.619096 1.081149 0.123 Uiso 0.2666 1 calc R U P C 2
H22F H 0.422280 0.631951 1.139850 0.123 Uiso 0.2666 1 calc R U P C 2
C23J C 0.515(3) 0.627(6) 1.070(4) 0.082(5) Uani 0.2666 1 d D U P C 2
H23D H 0.551342 0.678508 1.077411 0.123 Uiso 0.2666 1 calc R U P C 2
H23E H 0.530011 0.613110 1.111211 0.123 Uiso 0.2666 1 calc R U P C 2
H23F H 0.517317 0.593156 1.035552 0.123 Uiso 0.2666 1 calc R U P C 2
C24J C 0.399(5) 0.5403(18) 1.045(4) 0.082(5) Uani 0.2666 1 d D U P C 2
H24E H 0.341381 0.521051 1.031319 0.123 Uiso 0.2666 1 calc R U P C 2
H24F H 0.410826 0.513309 1.012174 0.123 Uiso 0.2666 1 calc R U P C 2
H24G H 0.423520 0.533263 1.087833 0.123 Uiso 0.2666 1 calc R U P C 2
C11J C 0.368(3) 1.042(5) 0.989(3) 0.17(2) Uani 0.59(6) 1 d D . P B 2
H11E H 0.337032 0.998425 0.999245 0.258 Uiso 0.59(6) 1 calc R U P B 2
H11F H 0.407529 1.031393 0.976580 0.258 Uiso 0.59(6) 1 calc R U P B 2
H11G H 0.394812 1.085148 1.028663 0.258 Uiso 0.59(6) 1 calc R U P B 2
C12J C 0.237(3) 1.071(3) 0.946(3) 0.163(19) Uani 0.59(6) 1 d D . P B 2
H12E H 0.208876 1.026886 0.956954 0.244 Uiso 0.59(6) 1 calc R U P B 2
H12F H 0.259007 1.115319 0.984153 0.244 Uiso 0.59(6) 1 calc R U P B 2
H12G H 0.199180 1.078121 0.908335 0.244 Uiso 0.59(6) 1 calc R U P B 2
C10J C 0.357(3) 1.134(2) 0.909(2) 0.15(2) Uani 0.59(6) 1 d D . P B 2
H10E H 0.388055 1.176528 0.948876 0.221 Uiso 0.59(6) 1 calc R U P B 2
H10F H 0.393249 1.122201 0.891800 0.221 Uiso 0.59(6) 1 calc R U P B 2
H10G H 0.320083 1.146197 0.875931 0.221 Uiso 0.59(6) 1 calc R U P B 2
loop_
_atom_type_symbol
_atom_type_description
_atom_type_scat_dispersion_real
_atom_type_scat_dispersion_imag
_atom_type_scat_source
C C 0.0181 0.0091 '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'
N N 0.0311 0.0180 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
O O 0.0492 0.0322 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Rh Rh 0.0927 3.6045 '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
O10A Rh4 Rh3 87.7(3) 2_566 . ?
O10A Rh4 O6A 90.2(4) 2_566 2_566 ?
O10A Rh4 O2H 95.0(5) 2_566 . ?
O4I Rh4 Rh3 88.7(3) . . ?
O4I Rh4 O10A 176.2(5) . 2_566 ?
O4I Rh4 O6A 90.9(5) . 2_566 ?
O4I Rh4 O2H 88.6(5) . . ?
O6I Rh4 Rh3 88.4(4) . . ?
O6I Rh4 O10A 88.6(4) . 2_566 ?
O6I Rh4 O4I 90.1(5) . . ?
O6I Rh4 O6A 176.8(6) . 2_566 ?
O6I Rh4 O2H 90.4(5) . . ?
O6A Rh4 Rh3 88.5(4) 2_566 . ?
O6A Rh4 O2H 92.7(5) 2_566 . ?
O2H Rh4 Rh3 177.0(4) . . ?
O9A Rh3 Rh4 88.2(3) 2_566 . ?
O9A Rh3 O3I 175.7(5) 2_566 . ?
O9A Rh3 O2D 94.8(6) 2_566 . ?
O5I Rh3 Rh4 88.0(4) . . ?
O5I Rh3 O9A 89.6(4) . 2_566 ?
O5I Rh3 O3I 92.2(4) . . ?
O5I Rh3 O2D 94.5(6) . . ?
O3I Rh3 Rh4 88.0(3) . . ?
O3I Rh3 O2D 88.9(6) . . ?
O2D Rh3 Rh4 176.2(5) . . ?
O5A Rh3 Rh4 88.0(4) 2_566 . ?
O5A Rh3 O9A 89.0(4) 2_566 2_566 ?
O5A Rh3 O5I 175.7(6) 2_566 . ?
O5A Rh3 O3I 88.9(4) 2_566 . ?
O5A Rh3 O2D 89.7(6) 2_566 . ?
O8I Rh6 Rh5 87.8(3) . . ?
O8I Rh6 O3H 92.0(5) . . ?
O10I Rh6 Rh5 89.3(3) . . ?
O10I Rh6 O8I 90.1(5) . . ?
O10I Rh6 O7A 91.4(4) . . ?
O10I Rh6 O3A 177.5(5) . . ?
O10I Rh6 O3H 90.8(5) . . ?
O7A Rh6 Rh5 87.2(3) . . ?
O7A Rh6 O8I 174.7(5) . . ?
O7A Rh6 O3H 93.0(5) . . ?
O3A Rh6 Rh5 88.8(3) . . ?
O3A Rh6 O8I 88.2(5) . . ?
O3A Rh6 O7A 90.1(4) . . ?
O3A Rh6 O3H 91.1(5) . . ?
O3H Rh6 Rh5 179.7(4) . . ?
Rh1 Rh2 O1H 173.6(4) . . ?
O2A Rh2 Rh1 87.7(3) 2_566 . ?
O2A Rh2 O2I 92.8(5) 2_566 . ?
O2A Rh2 O11A 87.2(5) 2_566 . ?
O2A Rh2 O12I 176.3(5) 2_566 . ?
O2A Rh2 O1H 86.6(5) 2_566 . ?
O2I Rh2 Rh1 88.8(4) . . ?
O2I Rh2 O11A 177.5(5) . . ?
O2I Rh2 O12I 88.1(5) . . ?
O2I Rh2 O1H 94.3(5) . . ?
O11A Rh2 Rh1 88.8(3) . . ?
O11A Rh2 O12I 91.7(5) . . ?
O11A Rh2 O1H 88.1(4) . . ?
O12I Rh2 Rh1 88.7(3) . . ?
O12I Rh2 O1H 97.0(5) . . ?
O8A Rh5 Rh6 88.8(3) . . ?
O8A Rh5 O4A 91.2(5) . . ?
O8A Rh5 O9I 92.0(4) . . ?
O8A Rh5 O7I 177.9(5) . . ?
O8A Rh5 O3D 90.4(5) . . ?
O4A Rh5 Rh6 87.2(3) . . ?
O4A Rh5 O3D 94.0(4) . . ?
O9I Rh5 Rh6 87.6(3) . . ?
O9I Rh5 O4A 173.9(4) . . ?
O9I Rh5 O3D 91.2(4) . . ?
O7I Rh5 Rh6 89.2(3) . . ?
O7I Rh5 O4A 88.6(5) . . ?
O7I Rh5 O9I 88.0(4) . . ?
O7I Rh5 O3D 91.7(5) . . ?
O3D Rh5 Rh6 178.5(3) . . ?
O12A Rh1 Rh2 88.8(3) . . ?
O12A Rh1 O11I 91.7(5) . . ?
O12A Rh1 O1D 90.7(5) . . ?
O1A Rh1 Rh2 89.6(3) 2_566 . ?
O1A Rh1 O12A 87.2(5) 2_566 . ?
O1A Rh1 O11I 177.2(5) 2_566 . ?
O1A Rh1 O1D 91.5(6) 2_566 . ?
O1I Rh1 Rh2 88.0(3) . . ?
O1I Rh1 O12A 176.7(5) . . ?
O1I Rh1 O1A 93.5(5) . 2_566 ?
O1I Rh1 O11I 87.4(5) . . ?
O1I Rh1 O1D 92.5(5) . . ?
O11I Rh1 Rh2 87.8(4) . . ?
O11I Rh1 O1D 91.1(6) . . ?
O1D Rh1 Rh2 178.8(4) . . ?
C22A O8A Rh5 117.3(11) . . ?
C29A O9A Rh3 119.1(10) . 2_566 ?
C36A O12A Rh1 117.5(10) . . ?
C29A O10A Rh4 119.5(10) . 2_566 ?
C20I O8I Rh6 119.5(11) . . ?
C8A O4A Rh5 121.1(10) . . ?
C25I O9I Rh5 118.2(10) . . ?
C25I O10I Rh6 118.7(10) . . ?
C22A O7A Rh6 120.2(12) . . ?
C8A O3A Rh6 118.9(10) . . ?
C1A O1A Rh1 117.2(11) . 2_566 ?
C8I O4I Rh4 119.6(11) . . ?
C20I O7I Rh5 118.5(11) . . ?
C13I O5I Rh3 119.4(11) . . ?
C1A O2A Rh2 120.3(11) . 2_566 ?
C8I O3I Rh3 119.2(12) . . ?
C1I O1I Rh1 119.0(13) . . ?
C32I O11I Rh1 117.7(11) . . ?
C4D O2D Rh3 114.4(18) . . ?
C1I O2I Rh2 118.8(11) . . ?
C15A O5A Rh3 119.2(12) . 2_566 ?
C7D O3D Rh5 114.8(15) . . ?
C13I O6I Rh4 120.6(12) . . ?
C36A O11A Rh2 117.9(11) . . ?
C15A O6A Rh4 118.7(12) . 2_566 ?
C32I O12I Rh2 117.2(10) . . ?
C1D O1D Rh1 121.2(19) . . ?
N4A N3A C20A 118.0(17) . . ?
N2A N1A C6A 115.4(17) . . ?
O9I C25I C26I 117.4(16) . . ?
O10I C25I O9I 125.4(14) . . ?
O10I C25I C26I 117.2(15) . . ?
N3A N4A C27A 111.7(17) . . ?
N6A N5A C34A 111.3(17) . . ?
C14A C9A C8A 118.8(17) . . ?
C14A C9A C10A 124.0(18) . . ?
C10A C9A C8A 117.0(17) . . ?
C29I C30I C32I 120.8(17) . . ?
C29I C30I C31I 118.4(17) . . ?
C31I C30I C32I 120.8(18) . . ?
C27I C26I C25I 120.5(17) . . ?
C27I C26I C31I 118.8(17) . . ?
C31I C26I C25I 120.3(17) . . ?
O11I C32I O12I 128.6(15) . . ?
O11I C32I C30I 112.5(16) . . ?
O12I C32I C30I 118.7(16) . . ?
N5A N6A C41A 111.1(17) . . ?
O8I C20I O7I 124.6(16) . . ?
O8I C20I C18I 121.0(17) . . ?
O7I C20I C18I 114.5(18) . . ?
O9A C29A O10A 125.1(14) . . ?
O9A C29A C30A 118.2(17) . . ?
O10A C29A C30A 116.7(16) . . ?
C31A C30A C29A 122.6(18) . . ?
C35A C30A C29A 118.8(18) . . ?
C35A C30A C31A 118.1(16) . . ?
N4A C27A C26A 113.5(17) . . ?
C28A C27A N4A 125.0(17) . . ?
C28A C27A C26A 121.5(18) . . ?
O4I C8I C6I 117.4(19) . . ?
O3I C8I O4I 124.4(16) . . ?
O3I C8I C6I 118.2(19) . . ?
N1A N2A C13A 112.7(17) . . ?
C19I C14I C13I 118.2(17) . . ?
C15I C14I C13I 121.4(18) . . ?
C15I C14I C19I 120.3(17) . . ?
O5A C15A C16A 117.8(19) . . ?
O6A C15A O5A 125.3(17) . . ?
O6A C15A C16A 116.9(18) . . ?
O1A C1A O2A 125.1(16) . . ?
O1A C1A C2A 114.3(18) . . ?
O2A C1A C2A 120.6(18) . . ?
C21A C16A C15A 119(2) . . ?
C17A C16A C15A 122(2) . . ?
C17A C16A C21A 119.4(19) . . ?
C9A C14A H14A 122.1 . . ?
C9A C14A C13A 115.7(18) . . ?
C13A C14A H14A 122.1 . . ?
O4A C8A O3A 123.3(15) . . ?
O4A C8A C9A 122.2(15) . . ?
O3A C8A C9A 113.9(15) . . ?
C30A C31A H31A 119.4 . . ?
C32A C31A C30A 121.3(19) . . ?
C32A C31A H31A 119.4 . . ?
C18I C17I H17I 118.9 . . ?
C18I C17I C16I 122.2(17) . . ?
C16I C17I H17I 118.9 . . ?
C16A C21A H21A 120.8 . . ?
C20A C21A C16A 118.4(19) . . ?
C20A C21A H21A 120.8 . . ?
O8A C22A C23A 113.5(18) . . ?
O7A C22A O8A 125.7(18) . . ?
O7A C22A C23A 121(2) . . ?
C41A C42A H42A 121.0 . . ?
C37A C42A H42A 121.0 . . ?
C37A C42A C41A 118.1(17) . . ?
O5I C13I O6I 123.4(17) . . ?
O5I C13I C14I 118.9(17) . . ?
O6I C13I C14I 117.6(18) . . ?
C27A C28A H28A 121.1 . . ?
C27A C28A C23A 117.9(18) . . ?
C23A C28A H28A 121.1 . . ?
C7A C6A N1A 124(2) . . ?
C5A C6A N1A 115.5(19) . . ?
C5A C6A C7A 120(2) . . ?
C7A C2A C1A 117.0(19) . . ?
C3A C2A C1A 121(2) . . ?
C3A C2A C7A 121.4(18) . . ?
C42A C41A N6A 123.9(19) . . ?
C40A C41A N6A 114(2) . . ?
C40A C41A C42A 122.2(19) . . ?
C6A C7A H7A 120.8 . . ?
C2A C7A C6A 118.4(18) . . ?
C2A C7A H7A 120.8 . . ?
C2I C3I H3I 118.4 . . ?
C4I C3I H3I 118.4 . . ?
C4I C3I C2I 123.3(17) . . ?
C14I C19I H19I 120.4 . . ?
C14I C19I C18I 119.2(17) . . ?
C18I C19I H19I 120.4 . . ?
C21A C20A N3A 118(2) . . ?
C21A C20A C19A 126(2) . . ?
C19A C20A N3A 117(2) . . ?
C26I C27I H27I 119.3 . . ?
C26I C27I C28I 121.5(17) . . ?
C28I C27I H27I 119.3 . . ?
C26A C25A H25A 118.4 . . ?
C26A C25A C24A 123.2(17) . . ?
C24A C25A H25A 118.4 . . ?
C14A C13A N2A 112.6(18) . . ?
C12A C13A N2A 125(2) . . ?
C12A C13A C14A 122.2(19) . . ?
C16A C17A H17A 119.0 . . ?
C16A C17A C18A 122(2) . . ?
C18A C17A H17A 119.0 . . ?
C30A C35A H35A 119.1 . . ?
C30A C35A C34A 121.8(18) . . ?
C34A C35A H35A 119.1 . . ?
C35A C34A N5A 114.5(18) . . ?
C33A C34A N5A 128(2) . . ?
C33A C34A C35A 117(2) . . ?
C14I C15I H15I 119.8 . . ?
C14I C15I C16I 120.4(16) . . ?
C16I C15I H15I 119.8 . . ?
C27A C26A H26A 121.0 . . ?
C25A C26A C27A 118.0(18) . . ?
C25A C26A H26A 121.0 . . ?
O12A C36A O11A 126.8(17) . . ?
O12A C36A C37A 115.5(17) . . ?
O11A C36A C37A 117.6(19) . . ?
C3I C2I C1I 122.7(18) . . ?
C7I C2I C3I 115.5(18) . . ?
C7I C2I C1I 121.7(19) . . ?
C2A C3A H3A 120.3 . . ?
C4A C3A C2A 119(2) . . ?
C4A C3A H3A 120.3 . . ?
O1I C1I O2I 125.0(18) . . ?
O1I C1I C2I 116(2) . . ?
O2I C1I C2I 119.3(19) . . ?
C42A C37A C36A 120.7(17) . . ?
C38A C37A C42A 119.0(18) . . ?
C38A C37A C36A 120(2) . . ?
C30I C29I H29I 119.2 . . ?
C30I C29I C28I 121.5(18) . . ?
C28I C29I H29I 119.2 . . ?
C34A C33A H33A 119.4 . . ?
C34A C33A C32A 121.2(19) . . ?
C32A C33A H33A 119.4 . . ?
C28A C23A C22A 117.7(19) . . ?
C28A C23A C24A 123.8(19) . . ?
C24A C23A C22A 118(2) . . ?
C37A C38A H38A 118.8 . . ?
C39A C38A C37A 122(2) . . ?
C39A C38A H38A 118.8 . . ?
C17I C18I C20I 122.7(19) . . ?
C17I C18I C19I 119.8(19) . . ?
C19I C18I C20I 117.2(18) . . ?
C12A C11A H11A 121.3 . . ?
C12A C11A C10A 117.5(18) . . ?
C10A C11A H11A 121.3 . . ?
C13A C12A C11A 119.2(19) . . ?
C13A C12A H12A 120.4 . . ?
C11A C12A H12A 120.4 . . ?
C30I C31I H31I 119.4 . . ?
C26I C31I C30I 121.1(17) . . ?
C26I C31I H31I 119.4 . . ?
C41A C40A H40A 121.9 . . ?
C41A C40A C39A 116(2) . . ?
C39A C40A H40A 121.9 . . ?
C25A C24A H24A 122.3 . . ?
C23A C24A C25A 115.5(19) . . ?
C23A C24A H24A 122.3 . . ?
C24I C21I C16I 111.4(18) . . ?
C23I C21I C16I 106.0(17) . . ?
C23I C21I C24I 112(2) . . ?
C22I C21I C16I 112(3) . . ?
C22I C21I C24I 104(3) . . ?
C22I C21I C23I 112(3) . . ?
C22J C21I C16I 113(7) . . ?
C23J C21I C16I 124(3) . . ?
C23J C21I C22J 122(7) . . ?
C24J C21I C16I 93(3) . . ?
C24J C21I C22J 95(7) . . ?
C24J C21I C23J 91(5) . . ?
C7I C6I C8I 120.5(19) . . ?
C5I C6I C8I 120.5(19) . . ?
C5I C6I C7I 119.0(18) . . ?
C20A C19A H19A 121.6 . . ?
C18A C19A C20A 117(2) . . ?
C18A C19A H19A 121.6 . . ?
C2I C7I H7I 119.1 . . ?
C6I C7I C2I 121.8(19) . . ?
C6I C7I H7I 119.1 . . ?
C27I C28I C33J 121.2(17) . . ?
C29I C28I C27I 118.3(18) . . ?
C29I C28I C33J 120.5(19) . . ?
C31A C32A C33A 120(2) . . ?
C31A C32A H32A 119.9 . . ?
C33A C32A H32A 119.9 . . ?
C9A C10A C11A 121.2(17) . . ?
C9A C10A H10A 119.4 . . ?
C11A C10A H10A 119.4 . . ?
C38A C39A C40A 122(2) . . ?
C38A C39A H39A 119.0 . . ?
C40A C39A H39A 119.0 . . ?
C17A C18A H18A 121.2 . . ?
C19A C18A C17A 118(2) . . ?
C19A C18A H18A 121.2 . . ?
C6I C5I H5I 117.8 . . ?
C6I C5I C4I 124(2) . . ?
C4I C5I H5I 117.8 . . ?
C4I C9I C10I 95(3) . . ?
C4I C9I C12I 108(3) . . ?
C4I C9I C11I 106(4) . . ?
C4I C9I C11J 111(3) . . ?
C4I C9I C12J 99(3) . . ?
C12I C9I C10I 109(2) . . ?
C12I C9I C11I 110(2) . . ?
C11I C9I C10I 127(5) . . ?
C12J C9I C11J 110(2) . . ?
C10J C9I C4I 112(2) . . ?
C10J C9I C11J 112(3) . . ?
C10J C9I C12J 112(2) . . ?
C6A C5A H5A 121.0 . . ?
C4A C5A C6A 118.0(19) . . ?
C4A C5A H5A 121.0 . . ?
C3A C4A C5A 122.3(19) . . ?
C3A C4A H4A 118.9 . . ?
C5A C4A H4A 118.9 . . ?
C12D N4D C10D 132(3) . . ?
C11D N4D C12D 111(4) . . ?
C11D N4D C10D 117(4) . . ?
N4D C12D H12H 109.5 . . ?
N4D C12D H12I 109.5 . . ?
N4D C12D H12J 109.5 . . ?
H12H C12D H12I 109.5 . . ?
H12H C12D H12J 109.5 . . ?
H12I C12D H12J 109.5 . . ?
N4D C10D H10H 131.8 . . ?
N4D C10D O4D 96(3) . . ?
O4D C10D H10H 131.8 . . ?
N4D C11D H11H 109.5 . . ?
N4D C11D H11I 109.5 . . ?
N4D C11D H11J 109.5 . . ?
H11H C11D H11I 109.5 . . ?
H11H C11D H11J 109.5 . . ?
H11I C11D H11J 109.5 . . ?
C1D N1D C2D 122(3) . . ?
C1D N1D C3D 116(2) . . ?
C3D N1D C2D 122(2) . . ?
N1D C2D H2DA 109.5 . . ?
N1D C2D H2DB 109.5 . . ?
N1D C2D H2DC 109.5 . . ?
H2DA C2D H2DB 109.5 . . ?
H2DA C2D H2DC 109.5 . . ?
H2DB C2D H2DC 109.5 . . ?
O1D C1D N1D 129(3) . . ?
O1D C1D H1D 115.3 . . ?
N1D C1D H1D 115.3 . . ?
N1D C3D H3DA 109.5 . . ?
N1D C3D H3DB 109.5 . . ?
N1D C3D H3DC 109.5 . . ?
H3DA C3D H3DB 109.5 . . ?
H3DA C3D H3DC 109.5 . . ?
H3DB C3D H3DC 109.5 . . ?
O2D C4D H4D 121.2 . . ?
O2D C4D N2D 118(3) . . ?
N2D C4D H4D 121.2 . . ?
C4D N2D C5D 124(2) . . ?
C4D N2D C6D 112(2) . . ?
C5D N2D C6D 124(2) . . ?
N2D C5D H5DA 109.5 . . ?
N2D C5D H5DB 109.5 . . ?
N2D C5D H5DC 109.5 . . ?
H5DA C5D H5DB 109.5 . . ?
H5DA C5D H5DC 109.5 . . ?
H5DB C5D H5DC 109.5 . . ?
N2D C6D H6DA 109.5 . . ?
N2D C6D H6DB 109.5 . . ?
N2D C6D H6DC 109.5 . . ?
H6DA C6D H6DB 109.5 . . ?
H6DA C6D H6DC 109.5 . . ?
H6DB C6D H6DC 109.5 . . ?
C8D N3D C9D 128(3) . . ?
C7D N3D C8D 113(3) . . ?
C7D N3D C9D 119(3) . . ?
N3D C8D H8DA 109.5 . . ?
N3D C8D H8DB 109.5 . . ?
N3D C8D H8DC 109.5 . . ?
H8DA C8D H8DB 109.5 . . ?
H8DA C8D H8DC 109.5 . . ?
H8DB C8D H8DC 109.5 . . ?
N3D C9D H9DA 109.5 . . ?
N3D C9D H9DB 109.5 . . ?
N3D C9D H9DC 109.5 . . ?
H9DA C9D H9DB 109.5 . . ?
H9DA C9D H9DC 109.5 . . ?
H9DB C9D H9DC 109.5 . . ?
O3D C7D N3D 132(2) . . ?
O3D C7D H7D 114.0 . . ?
N3D C7D H7D 114.0 . . ?
H34A C34J H34B 109.5 . . ?
H34A C34J H34C 109.5 . . ?
H34B C34J H34C 109.5 . . ?
C33J C34J H34A 109.5 . . ?
C33J C34J H34B 109.5 . . ?
C33J C34J H34C 109.5 . . ?
H35B C35J H35C 109.5 . . ?
H35B C35J H35D 109.5 . . ?
H35C C35J H35D 109.5 . . ?
C33J C35J H35B 109.5 . . ?
C33J C35J H35C 109.5 . . ?
C33J C35J H35D 109.5 . . ?
H36A C36J H36B 109.5 . . ?
H36A C36J H36C 109.5 . . ?
H36B C36J H36C 109.5 . . ?
C33J C36J H36A 109.5 . . ?
C33J C36J H36B 109.5 . . ?
C33J C36J H36C 109.5 . . ?
C9I C10I H10B 109.5 . . ?
C9I C10I H10C 109.5 . . ?
C9I C10I H10D 109.5 . . ?
H10B C10I H10C 109.5 . . ?
H10B C10I H10D 109.5 . . ?
H10C C10I H10D 109.5 . . ?
C3I C4I C9I 121.0(16) . . ?
C5I C4I C3I 115.7(18) . . ?
C5I C4I C9I 121.9(17) . . ?
C9I C12I H12B 109.5 . . ?
C9I C12I H12C 109.5 . . ?
C9I C12I H12D 109.5 . . ?
H12B C12I H12C 109.5 . . ?
H12B C12I H12D 109.5 . . ?
H12C C12I H12D 109.5 . . ?
C9I C11I H11B 109.5 . . ?
C9I C11I H11C 109.5 . . ?
C9I C11I H11D 109.5 . . ?
H11B C11I H11C 109.5 . . ?
H11B C11I H11D 109.5 . . ?
H11C C11I H11D 109.5 . . ?
C17I C16I C15I 117.8(16) . . ?
C17I C16I C21I 120.5(17) . . ?
C15I C16I C21I 121.6(17) . . ?
C21I C24I H24B 109.5 . . ?
C21I C24I H24C 109.5 . . ?
C21I C24I H24D 109.5 . . ?
H24B C24I H24C 109.5 . . ?
H24B C24I H24D 109.5 . . ?
H24C C24I H24D 109.5 . . ?
C21I C23I H23A 109.5 . . ?
C21I C23I H23B 109.5 . . ?
C21I C23I H23C 109.5 . . ?
H23A C23I H23B 109.5 . . ?
H23A C23I H23C 109.5 . . ?
H23B C23I H23C 109.5 . . ?
C21I C22I H22A 109.5 . . ?
C21I C22I H22B 109.5 . . ?
C21I C22I H22C 109.5 . . ?
H22A C22I H22B 109.5 . . ?
H22A C22I H22C 109.5 . . ?
H22B C22I H22C 109.5 . . ?
H34D C34I H34E 109.5 . . ?
H34D C34I H34F 109.5 . . ?
H34E C34I H34F 109.5 . . ?
C33J C34I H34D 109.5 . . ?
C33J C34I H34E 109.5 . . ?
C33J C34I H34F 109.5 . . ?
H35E C35I H35F 109.5 . . ?
H35E C35I H35G 109.5 . . ?
H35F C35I H35G 109.5 . . ?
C33J C35I H35E 109.5 . . ?
C33J C35I H35F 109.5 . . ?
C33J C35I H35G 109.5 . . ?
H36D C36I H36E 109.5 . . ?
H36D C36I H36F 109.5 . . ?
H36E C36I H36F 109.5 . . ?
C33J C36I H36D 109.5 . . ?
C33J C36I H36E 109.5 . . ?
C33J C36I H36F 109.5 . . ?
C28I C33J C34J 116(3) . . ?
C28I C33J C35J 103(3) . . ?
C28I C33J C35I 113.2(18) . . ?
C28I C33J C36I 108(2) . . ?
C34J C33J C35J 106(2) . . ?
C36J C33J C28I 110(3) . . ?
C36J C33J C34J 112(2) . . ?
C36J C33J C35J 110(2) . . ?
C34I C33J C28I 112(2) . . ?
C34I C33J C35I 109.8(17) . . ?
C34I C33J C36I 108.8(18) . . ?
C35I C33J C36I 105.6(17) . . ?
C21I C22J H22D 109.5 . . ?
C21I C22J H22E 109.5 . . ?
C21I C22J H22F 109.5 . . ?
H22D C22J H22E 109.5 . . ?
H22D C22J H22F 109.5 . . ?
H22E C22J H22F 109.5 . . ?
C21I C23J H23D 109.5 . . ?
C21I C23J H23E 109.5 . . ?
C21I C23J H23F 109.5 . . ?
H23D C23J H23E 109.5 . . ?
H23D C23J H23F 109.5 . . ?
H23E C23J H23F 109.5 . . ?
C21I C24J H24E 109.5 . . ?
C21I C24J H24F 109.5 . . ?
C21I C24J H24G 109.5 . . ?
H24E C24J H24F 109.5 . . ?
H24E C24J H24G 109.5 . . ?
H24F C24J H24G 109.5 . . ?
C9I C11J H11E 109.5 . . ?
C9I C11J H11F 109.5 . . ?
C9I C11J H11G 109.5 . . ?
H11E C11J H11F 109.5 . . ?
H11E C11J H11G 109.5 . . ?
H11F C11J H11G 109.5 . . ?
C9I C12J H12E 109.5 . . ?
C9I C12J H12F 109.5 . . ?
C9I C12J H12G 109.5 . . ?
H12E C12J H12F 109.5 . . ?
H12E C12J H12G 109.5 . . ?
H12F C12J H12G 109.5 . . ?
C9I C10J H10E 109.5 . . ?
C9I C10J H10F 109.5 . . ?
C9I C10J H10G 109.5 . . ?
H10E C10J H10F 109.5 . . ?
H10E C10J H10G 109.5 . . ?
H10F C10J H10G 109.5 . . ?
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
Rh4 Rh3 2.3879(19) . ?
Rh4 O10A 2.010(10) 2_566 ?
Rh4 O4I 1.993(10) . ?
Rh4 O6I 1.973(11) . ?
Rh4 O6A 2.013(11) 2_566 ?
Rh4 O2H 2.328(13) . ?
Rh3 O9A 2.019(9) 2_566 ?
Rh3 O5I 2.014(11) . ?
Rh3 O3I 2.021(10) . ?
Rh3 O2D 2.246(17) . ?
Rh3 O5A 2.000(11) 2_566 ?
Rh6 Rh5 2.3832(19) . ?
Rh6 O8I 2.006(11) . ?
Rh6 O10I 1.957(10) . ?
Rh6 O7A 1.997(10) . ?
Rh6 O3A 1.985(10) . ?
Rh6 O3H 2.303(12) . ?
Rh2 Rh1 2.3924(19) . ?
Rh2 O2A 1.992(10) 2_566 ?
Rh2 O2I 1.995(12) . ?
Rh2 O11A 2.010(12) . ?
Rh2 O12I 2.012(11) . ?
Rh2 O1H 2.401(13) . ?
Rh5 O8A 1.991(10) . ?
Rh5 O4A 2.003(10) . ?
Rh5 O9I 1.997(10) . ?
Rh5 O7I 1.992(10) . ?
Rh5 O3D 2.291(12) . ?
Rh1 O12A 2.019(12) . ?
Rh1 O1A 2.018(11) 2_566 ?
Rh1 O1I 2.017(13) . ?
Rh1 O11I 2.033(12) . ?
Rh1 O1D 2.278(15) . ?
O8A C22A 1.29(2) . ?
O9A C29A 1.255(19) . ?
O12A C36A 1.29(2) . ?
O10A C29A 1.275(19) . ?
O8I C20I 1.28(2) . ?
O4A C8A 1.253(18) . ?
O9I C25I 1.297(18) . ?
O10I C25I 1.278(18) . ?
O7A C22A 1.24(2) . ?
O3A C8A 1.301(17) . ?
O1A C1A 1.29(2) . ?
O4I C8I 1.29(2) . ?
O7I C20I 1.294(19) . ?
O5I C13I 1.28(2) . ?
O2A C1A 1.30(2) . ?
O3I C8I 1.28(2) . ?
O1I C1I 1.27(2) . ?
O11I C32I 1.244(18) . ?
O2D C4D 1.24(3) . ?
O2I C1I 1.30(2) . ?
O5A C15A 1.29(2) . ?
O3D C7D 1.18(2) . ?
O6I C13I 1.29(2) . ?
O11A C36A 1.29(2) . ?
O6A C15A 1.26(2) . ?
O12I C32I 1.275(18) . ?
O1D C1D 1.17(2) . ?
N3A N4A 1.266(17) . ?
N3A C20A 1.44(2) . ?
N1A N2A 1.212(19) . ?
N1A C6A 1.42(2) . ?
C25I C26I 1.52(2) . ?
N4A C27A 1.42(2) . ?
N5A N6A 1.220(18) . ?
N5A C34A 1.48(2) . ?
C9A C14A 1.30(2) . ?
C9A C8A 1.51(2) . ?
C9A C10A 1.34(2) . ?
C30I C32I 1.53(2) . ?
C30I C29I 1.39(2) . ?
C30I C31I 1.42(2) . ?
C26I C27I 1.38(2) . ?
C26I C31I 1.38(2) . ?
N6A C41A 1.46(2) . ?
C20I C18I 1.49(3) . ?
C29A C30A 1.50(2) . ?
C30A C31A 1.41(2) . ?
C30A C35A 1.35(2) . ?
C27A C28A 1.38(2) . ?
C27A C26A 1.43(2) . ?
C8I C6I 1.49(2) . ?
N2A C13A 1.51(2) . ?
C14I C13I 1.47(2) . ?
C14I C19I 1.40(2) . ?
C14I C15I 1.38(2) . ?
C15A C16A 1.49(2) . ?
C1A C2A 1.52(2) . ?
C16A C21A 1.36(2) . ?
C16A C17A 1.35(3) . ?
C14A H14A 0.9300 . ?
C14A C13A 1.46(3) . ?
C31A H31A 0.9300 . ?
C31A C32A 1.31(2) . ?
C17I H17I 0.9300 . ?
C17I C18I 1.35(2) . ?
C17I C16I 1.41(2) . ?
C21A H21A 0.9300 . ?
C21A C20A 1.33(3) . ?
C22A C23A 1.54(3) . ?
C42A H42A 0.9300 . ?
C42A C41A 1.40(3) . ?
C42A C37A 1.37(2) . ?
C28A H28A 0.9300 . ?
C28A C23A 1.39(2) . ?
C6A C7A 1.40(2) . ?
C6A C5A 1.40(3) . ?
C2A C7A 1.39(3) . ?
C2A C3A 1.37(2) . ?
C41A C40A 1.36(2) . ?
C7A H7A 0.9300 . ?
C3I H3I 0.9300 . ?
C3I C2I 1.42(3) . ?
C3I C4I 1.39(2) . ?
C19I H19I 0.9300 . ?
C19I C18I 1.41(2) . ?
C20A C19A 1.38(3) . ?
C27I H27I 0.9300 . ?
C27I C28I 1.41(3) . ?
C25A H25A 0.9300 . ?
C25A C26A 1.37(2) . ?
C25A C24A 1.42(3) . ?
C13A C12A 1.36(2) . ?
C17A H17A 0.9300 . ?
C17A C18A 1.43(3) . ?
C35A H35A 0.9300 . ?
C35A C34A 1.42(3) . ?
C34A C33A 1.36(3) . ?
C15I H15I 0.9300 . ?
C15I C16I 1.41(2) . ?
C26A H26A 0.9300 . ?
C36A C37A 1.49(3) . ?
C2I C1I 1.46(3) . ?
C2I C7I 1.40(2) . ?
C3A H3A 0.9300 . ?
C3A C4A 1.36(3) . ?
C37A C38A 1.37(2) . ?
C29I H29I 0.9300 . ?
C29I C28I 1.39(3) . ?
C33A H33A 0.9300 . ?
C33A C32A 1.39(3) . ?
C23A C24A 1.41(2) . ?
C38A H38A 0.9300 . ?
C38A C39A 1.29(3) . ?
C11A H11A 0.9300 . ?
C11A C12A 1.36(2) . ?
C11A C10A 1.42(3) . ?
C12A H12A 0.9300 . ?
C31I H31I 0.9300 . ?
C40A H40A 0.9300 . ?
C40A C39A 1.41(3) . ?
C24A H24A 0.9300 . ?
C21I C16I 1.506(16) . ?
C21I C24I 1.500(17) . ?
C21I C23I 1.495(17) . ?
C21I C22I 1.493(17) . ?
C21I C22J 1.498(19) . ?
C21I C23J 1.497(19) . ?
C21I C24J 1.497(19) . ?
C6I C7I 1.37(2) . ?
C6I C5I 1.36(3) . ?
C19A H19A 0.9300 . ?
C19A C18A 1.37(3) . ?
C7I H7I 0.9300 . ?
C28I C33J 1.535(17) . ?
C32A H32A 0.9300 . ?
C10A H10A 0.9300 . ?
C39A H39A 0.9300 . ?
C18A H18A 0.9300 . ?
C5I H5I 0.9300 . ?
C5I C4I 1.36(2) . ?
C9I C10I 1.63(2) . ?
C9I C4I 1.619(18) . ?
C9I C12I 1.62(2) . ?
C9I C11I 1.63(2) . ?
C9I C11J 1.63(2) . ?
C9I C12J 1.62(2) . ?
C9I C10J 1.62(2) . ?
C5A H5A 0.9300 . ?
C5A C4A 1.39(3) . ?
C4A H4A 0.9300 . ?
N4D C12D 1.43(4) . ?
N4D C10D 1.44(4) . ?
N4D C11D 1.32(4) . ?
C12D H12H 0.9600 . ?
C12D H12I 0.9600 . ?
C12D H12J 0.9600 . ?
C10D H10H 0.9300 . ?
C10D O4D 1.46(4) . ?
C11D H11H 0.9600 . ?
C11D H11I 0.9600 . ?
C11D H11J 0.9600 . ?
N1D C2D 1.49(3) . ?
N1D C1D 1.28(3) . ?
N1D C3D 1.38(3) . ?
C2D H2DA 0.9600 . ?
C2D H2DB 0.9600 . ?
C2D H2DC 0.9600 . ?
C1D H1D 0.9300 . ?
C3D H3DA 0.9600 . ?
C3D H3DB 0.9600 . ?
C3D H3DC 0.9600 . ?
C4D H4D 0.9300 . ?
C4D N2D 1.36(3) . ?
N2D C5D 1.45(3) . ?
N2D C6D 1.51(3) . ?
C5D H5DA 0.9600 . ?
C5D H5DB 0.9600 . ?
C5D H5DC 0.9600 . ?
C6D H6DA 0.9600 . ?
C6D H6DB 0.9600 . ?
C6D H6DC 0.9600 . ?
N3D C8D 1.43(4) . ?
N3D C9D 1.45(3) . ?
N3D C7D 1.41(2) . ?
C8D H8DA 0.9600 . ?
C8D H8DB 0.9600 . ?
C8D H8DC 0.9600 . ?
C9D H9DA 0.9600 . ?
C9D H9DB 0.9600 . ?
C9D H9DC 0.9600 . ?
C7D H7D 0.9300 . ?
C34J H34A 0.9600 . ?
C34J H34B 0.9600 . ?
C34J H34C 0.9600 . ?
C34J C33J 1.55(2) . ?
C35J H35B 0.9600 . ?
C35J H35C 0.9600 . ?
C35J H35D 0.9600 . ?
C35J C33J 1.55(2) . ?
C36J H36A 0.9600 . ?
C36J H36B 0.9600 . ?
C36J H36C 0.9600 . ?
C36J C33J 1.53(2) . ?
C10I H10B 0.9600 . ?
C10I H10C 0.9600 . ?
C10I H10D 0.9600 . ?
C12I H12B 0.9600 . ?
C12I H12C 0.9600 . ?
C12I H12D 0.9600 . ?
C11I H11B 0.9600 . ?
C11I H11C 0.9600 . ?
C11I H11D 0.9600 . ?
C24I H24B 0.9600 . ?
C24I H24C 0.9600 . ?
C24I H24D 0.9600 . ?
C23I H23A 0.9600 . ?
C23I H23B 0.9600 . ?
C23I H23C 0.9600 . ?
C22I H22A 0.9600 . ?
C22I H22B 0.9600 . ?
C22I H22C 0.9600 . ?
C34I H34D 0.9600 . ?
C34I H34E 0.9600 . ?
C34I H34F 0.9600 . ?
C34I C33J 1.528(18) . ?
C35I H35E 0.9600 . ?
C35I H35F 0.9600 . ?
C35I H35G 0.9600 . ?
C35I C33J 1.550(18) . ?
C36I H36D 0.9600 . ?
C36I H36E 0.9600 . ?
C36I H36F 0.9600 . ?
C36I C33J 1.558(19) . ?
C22J H22D 0.9600 . ?
C22J H22E 0.9600 . ?
C22J H22F 0.9600 . ?
C23J H23D 0.9600 . ?
C23J H23E 0.9600 . ?
C23J H23F 0.9600 . ?
C24J H24E 0.9600 . ?
C24J H24F 0.9600 . ?
C24J H24G 0.9600 . ?
C11J H11E 0.9600 . ?
C11J H11F 0.9600 . ?
C11J H11G 0.9600 . ?
C12J H12E 0.9600 . ?
C12J H12F 0.9600 . ?
C12J H12G 0.9600 . ?
C10J H10E 0.9600 . ?
C10J H10F 0.9600 . ?
C10J H10G 0.9600 . ?
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
Rh4 O10A C29A O9A 8(2) 2_566 . . . ?
Rh4 O10A C29A C30A -172.3(11) 2_566 . . . ?
Rh4 O4I C8I O3I -1(3) . . . . ?
Rh4 O4I C8I C6I 178.5(13) . . . . ?
Rh4 O6I C13I O5I 3(2) . . . . ?
Rh4 O6I C13I C14I -175.5(10) . . . . ?
Rh4 O6A C15A O5A -7(2) 2_566 . . . ?
Rh4 O6A C15A C16A 172.5(10) 2_566 . . . ?
Rh3 O9A C29A O10A -6(2) 2_566 . . . ?
Rh3 O9A C29A C30A 174.5(11) 2_566 . . . ?
Rh3 O5I C13I O6I -4(2) . . . . ?
Rh3 O5I C13I C14I 174.6(10) . . . . ?
Rh3 O3I C8I O4I 3(3) . . . . ?
Rh3 O3I C8I C6I -176.8(13) . . . . ?
Rh3 O2D C4D N2D -175(2) . . . . ?
Rh3 O5A C15A O6A 8(2) 2_566 . . . ?
Rh3 O5A C15A C16A -171.8(10) 2_566 . . . ?
Rh6 O8I C20I O7I -1(2) . . . . ?
Rh6 O8I C20I C18I -179.8(12) . . . . ?
Rh6 O10I C25I O9I 5(2) . . . . ?
Rh6 O10I C25I C26I -171.7(11) . . . . ?
Rh6 O7A C22A O8A -3(2) . . . . ?
Rh6 O7A C22A C23A 175.9(11) . . . . ?
Rh6 O3A C8A O4A 10.7(19) . . . . ?
Rh6 O3A C8A C9A -178.4(9) . . . . ?
Rh2 O2A C1A O1A 4(2) 2_566 . . . ?
Rh2 O2A C1A C2A -176.0(12) 2_566 . . . ?
Rh2 O2I C1I O1I 8(2) . . . . ?
Rh2 O2I C1I C2I -176.0(12) . . . . ?
Rh2 O11A C36A O12A -5(2) . . . . ?
Rh2 O11A C36A C37A 177.4(12) . . . . ?
Rh2 O12I C32I O11I 1(2) . . . . ?
Rh2 O12I C32I C30I 175.4(11) . . . . ?
Rh5 O8A C22A O7A 9(2) . . . . ?
Rh5 O8A C22A C23A -169.2(10) . . . . ?
Rh5 O4A C8A O3A -5(2) . . . . ?
Rh5 O4A C8A C9A -175.4(10) . . . . ?
Rh5 O9I C25I O10I 2(2) . . . . ?
Rh5 O9I C25I C26I 179.2(11) . . . . ?
Rh5 O7I C20I O8I 6(2) . . . . ?
Rh5 O7I C20I C18I -175.1(11) . . . . ?
Rh5 O3D C7D N3D 178.8(17) . . . . ?
Rh1 O12A C36A O11A 4(2) . . . . ?
Rh1 O12A C36A C37A -178.9(12) . . . . ?
Rh1 O1A C1A O2A -2(2) 2_566 . . . ?
Rh1 O1A C1A C2A 177.7(11) 2_566 . . . ?
Rh1 O1I C1I O2I -9(2) . . . . ?
Rh1 O1I C1I C2I 175.1(12) . . . . ?
Rh1 O11I C32I O12I -2(2) . . . . ?
Rh1 O11I C32I C30I -177.3(10) . . . . ?
Rh1 O1D C1D N1D 177(2) . . . . ?
O8A C22A C23A C28A -176.0(15) . . . . ?
O8A C22A C23A C24A 0(2) . . . . ?
O9A C29A C30A C31A -7(3) . . . . ?
O9A C29A C30A C35A -178.4(16) . . . . ?
O12A C36A C37A C42A -172.3(17) . . . . ?
O12A C36A C37A C38A 12(3) . . . . ?
O10A C29A C30A C31A 173.7(16) . . . . ?
O10A C29A C30A C35A 2(2) . . . . ?
O8I C20I C18I C17I 178.1(17) . . . . ?
O8I C20I C18I C19I -9(3) . . . . ?
O9I C25I C26I C27I 4(2) . . . . ?
O9I C25I C26I C31I -168.3(16) . . . . ?
O10I C25I C26I C27I -178.6(17) . . . . ?
O10I C25I C26I C31I 9(2) . . . . ?
O7A C22A C23A C28A 5(2) . . . . ?
O7A C22A C23A C24A -179.1(16) . . . . ?
O1A C1A C2A C7A 178.9(16) . . . . ?
O1A C1A C2A C3A -6(3) . . . . ?
O4I C8I C6I C7I -2(3) . . . . ?
O4I C8I C6I C5I 179.7(19) . . . . ?
O7I C20I C18I C17I -1(3) . . . . ?
O7I C20I C18I C19I 172.7(15) . . . . ?
O2A C1A C2A C7A -1(2) . . . . ?
O2A C1A C2A C3A 173.6(17) . . . . ?
O3I C8I C6I C7I 176.9(18) . . . . ?
O3I C8I C6I C5I -1(3) . . . . ?
O2D C4D N2D C5D 9(5) . . . . ?
O2D C4D N2D C6D -172(3) . . . . ?
O5A C15A C16A C21A -177.1(16) . . . . ?
O5A C15A C16A C17A 7(2) . . . . ?
O11A C36A C37A C42A 5(3) . . . . ?
O11A C36A C37A C38A -170.6(17) . . . . ?
O6A C15A C16A C21A 3(2) . . . . ?
O6A C15A C16A C17A -172.7(17) . . . . ?
N3A N4A C27A C28A 13(2) . . . . ?
N3A N4A C27A C26A -167.2(14) . . . . ?
N3A C20A C19A C18A -179.7(19) . . . . ?
N1A N2A C13A C14A -179.3(16) . . . . ?
N1A N2A C13A C12A -2(3) . . . . ?
N1A C6A C7A C2A 176.8(17) . . . . ?
N1A C6A C5A C4A -178(2) . . . . ?
C25I C26I C27I C28I -179.2(19) . . . . ?
C25I C26I C31I C30I 175.8(15) . . . . ?
N4A N3A C20A C21A 170.8(16) . . . . ?
N4A N3A C20A C19A -10(2) . . . . ?
N4A C27A C28A C23A 179.5(15) . . . . ?
N4A C27A C26A C25A 179.5(16) . . . . ?
N5A N6A C41A C42A -3(3) . . . . ?
N5A N6A C41A C40A 174.1(17) . . . . ?
N5A C34A C33A C32A -177.6(19) . . . . ?
C9A C14A C13A N2A 178.5(15) . . . . ?
C9A C14A C13A C12A 1(3) . . . . ?
C30I C29I C28I C27I -2(3) . . . . ?
C30I C29I C28I C33J 178.7(19) . . . . ?
C26I C27I C28I C29I 6(3) . . . . ?
C26I C27I C28I C33J -175(2) . . . . ?
C32I C30I C29I C28I 177.3(19) . . . . ?
C32I C30I C31I C26I -177.8(16) . . . . ?
N6A N5A C34A C35A 169.8(17) . . . . ?
N6A N5A C34A C33A -13(3) . . . . ?
N6A C41A C40A C39A -178.1(17) . . . . ?
C29A C30A C31A C32A -176.2(17) . . . . ?
C29A C30A C35A C34A 171.3(17) . . . . ?
C30A C31A C32A C33A 7(3) . . . . ?
C30A C35A C34A N5A -179.5(17) . . . . ?
C30A C35A C34A C33A 3(3) . . . . ?
C27A C28A C23A C22A 178.2(14) . . . . ?
C27A C28A C23A C24A 3(2) . . . . ?
C8I C6I C7I C2I -176.2(18) . . . . ?
C8I C6I C5I C4I -178(2) . . . . ?
N2A N1A C6A C7A -6(3) . . . . ?
N2A N1A C6A C5A 175.3(18) . . . . ?
N2A C13A C12A C11A 179.5(18) . . . . ?
C14I C19I C18I C20I -173.8(15) . . . . ?
C14I C19I C18I C17I 0(3) . . . . ?
C14I C15I C16I C17I 1(2) . . . . ?
C14I C15I C16I C21I -179.6(16) . . . . ?
C15A C16A C21A C20A -178.1(16) . . . . ?
C15A C16A C17A C18A 173.3(18) . . . . ?
C1A C2A C7A C6A 179.3(16) . . . . ?
C1A C2A C3A C4A -177.0(19) . . . . ?
C16A C21A C20A N3A -177.0(16) . . . . ?
C16A C21A C20A C19A 4(3) . . . . ?
C16A C17A C18A C19A 6(3) . . . . ?
C14A C9A C8A O4A 173.9(16) . . . . ?
C14A C9A C8A O3A 3(2) . . . . ?
C14A C9A C10A C11A -1(3) . . . . ?
C14A C13A C12A C11A -4(3) . . . . ?
C8A C9A C14A C13A 175.9(14) . . . . ?
C8A C9A C10A C11A -176.1(17) . . . . ?
C31A C30A C35A C34A -1(3) . . . . ?
C21A C16A C17A C18A -3(3) . . . . ?
C21A C20A C19A C18A 0(3) . . . . ?
C22A C23A C24A C25A -179.6(15) . . . . ?
C42A C41A C40A C39A -1(3) . . . . ?
C42A C37A C38A C39A 0(3) . . . . ?
C13I C14I C19I C18I -179.5(15) . . . . ?
C13I C14I C15I C16I 179.0(15) . . . . ?
C28A C27A C26A C25A -1(2) . . . . ?
C28A C23A C24A C25A -4(2) . . . . ?
C6A N1A N2A C13A -174.7(15) . . . . ?
C6A C5A C4A C3A -1(4) . . . . ?
C2A C3A C4A C5A 1(4) . . . . ?
C41A C42A C37A C36A -176.6(16) . . . . ?
C41A C42A C37A C38A -1(3) . . . . ?
C41A C40A C39A C38A 0(3) . . . . ?
C7A C6A C5A C4A 3(3) . . . . ?
C7A C2A C3A C4A -2(3) . . . . ?
C3I C2I C1I O1I 6(3) . . . . ?
C3I C2I C1I O2I -170.4(17) . . . . ?
C3I C2I C7I C6I -5(3) . . . . ?
C19I C14I C13I O5I -172.4(15) . . . . ?
C19I C14I C13I O6I 6(2) . . . . ?
C19I C14I C15I C16I 3(2) . . . . ?
C20A N3A N4A C27A 177.7(14) . . . . ?
C20A C19A C18A C17A -4(3) . . . . ?
C27I C26I C31I C30I 3(3) . . . . ?
C27I C28I C33J C34J 169(3) . . . . ?
C27I C28I C33J C35J 54(3) . . . . ?
C27I C28I C33J C36J -63(4) . . . . ?
C27I C28I C33J C34I 108(3) . . . . ?
C27I C28I C33J C35I -17(3) . . . . ?
C27I C28I C33J C36I -133(3) . . . . ?
C17A C16A C21A C20A -2(3) . . . . ?
C35A C30A C31A C32A -5(3) . . . . ?
C35A C34A C33A C32A -1(3) . . . . ?
C34A N5A N6A C41A -179.2(14) . . . . ?
C34A C33A C32A C31A -4(3) . . . . ?
C15I C14I C13I O5I 12(2) . . . . ?
C15I C14I C13I O6I -169.8(15) . . . . ?
C15I C14I C19I C18I -3(2) . . . . ?
C26A C27A C28A C23A 0(2) . . . . ?
C26A C25A C24A C23A 3(3) . . . . ?
C36A C37A C38A C39A 176(2) . . . . ?
C2I C3I C4I C5I 3(3) . . . . ?
C2I C3I C4I C9I 169.7(19) . . . . ?
C3A C2A C7A C6A 4(3) . . . . ?
C1I C2I C7I C6I 172.5(18) . . . . ?
C37A C42A C41A N6A 178.2(17) . . . . ?
C37A C42A C41A C40A 1(3) . . . . ?
C37A C38A C39A C40A 1(3) . . . . ?
C29I C30I C32I O11I -5(2) . . . . ?
C29I C30I C32I O12I 179.1(16) . . . . ?
C29I C30I C31I C26I 1(3) . . . . ?
C29I C28I C33J C34J -12(4) . . . . ?
C29I C28I C33J C35J -127(3) . . . . ?
C29I C28I C33J C36J 116(3) . . . . ?
C29I C28I C33J C34I -73(3) . . . . ?
C29I C28I C33J C35I 162(2) . . . . ?
C29I C28I C33J C36I 46(3) . . . . ?
C18I C17I C16I C15I -5(3) . . . . ?
C18I C17I C16I C21I 175.7(18) . . . . ?
C12A C11A C10A C9A -1(3) . . . . ?
C31I C30I C32I O11I 172.9(16) . . . . ?
C31I C30I C32I O12I -3(2) . . . . ?
C31I C30I C29I C28I -1(3) . . . . ?
C31I C26I C27I C28I -7(3) . . . . ?
C24A C25A C26A C27A -1(3) . . . . ?
C6I C5I C4I C3I -6(3) . . . . ?
C6I C5I C4I C9I -173(2) . . . . ?
C7I C2I C1I O1I -170.6(17) . . . . ?
C7I C2I C1I O2I 13(3) . . . . ?
C7I C6I C5I C4I 4(4) . . . . ?
C10A C9A C14A C13A 1(3) . . . . ?
C10A C9A C8A O4A -11(2) . . . . ?
C10A C9A C8A O3A 178.0(15) . . . . ?
C10A C11A C12A C13A 3(3) . . . . ?
C5I C6I C7I C2I 2(3) . . . . ?
C5A C6A C7A C2A -5(3) . . . . ?
C12D N4D C10D O4D -3(5) . . . . ?
C11D N4D C10D O4D 174(3) . . . . ?
C2D N1D C1D O1D -171(2) . . . . ?
C3D N1D C1D O1D 9(4) . . . . ?
C8D N3D C7D O3D 5(3) . . . . ?
C9D N3D C7D O3D -177(2) . . . . ?
C10I C9I C4I C3I 45(3) . . . . ?
C10I C9I C4I C5I -149(3) . . . . ?
C4I C3I C2I C1I -174.8(18) . . . . ?
C4I C3I C2I C7I 2(3) . . . . ?
C12I C9I C4I C3I 157(3) . . . . ?
C12I C9I C4I C5I -37(4) . . . . ?
C11I C9I C4I C3I -85(5) . . . . ?
C11I C9I C4I C5I 81(5) . . . . ?
C16I C17I C18I C20I 177.6(17) . . . . ?
C16I C17I C18I C19I 5(3) . . . . ?
C24I C21I C16I C17I -46(3) . . . . ?
C24I C21I C16I C15I 134(2) . . . . ?
C23I C21I C16I C17I 76(3) . . . . ?
C23I C21I C16I C15I -104(2) . . . . ?
C22I C21I C16I C17I -162(3) . . . . ?
C22I C21I C16I C15I 19(3) . . . . ?
C22J C21I C16I C17I -177(7) . . . . ?
C22J C21I C16I C15I 4(7) . . . . ?
C23J C21I C16I C17I 13(5) . . . . ?
C23J C21I C16I C15I -166(5) . . . . ?
C24J C21I C16I C17I -80(3) . . . . ?
C24J C21I C16I C15I 101(3) . . . . ?
C11J C9I C4I C3I -116(3) . . . . ?
C11J C9I C4I C5I 50(3) . . . . ?
C12J C9I C4I C3I 128(3) . . . . ?
C12J C9I C4I C5I -66(3) . . . . ?
C10J C9I C4I C3I 10(4) . . . . ?
C10J C9I C4I C5I 176(3) . . . . ?
loop_
_smtbx_masks_void_nr
_smtbx_masks_void_average_x
_smtbx_masks_void_average_y
_smtbx_masks_void_average_z
_smtbx_masks_void_volume
_smtbx_masks_void_count_electrons
_smtbx_masks_void_content
1 -0.856 -0.375 -0.891 2885.1 548.4 '2 ?'
