#------------------------------------------------------------------------------
#$Date: 2016-02-20 18:35:30 +0200 (Sat, 20 Feb 2016) $
#$Revision: 176787 $
#$URL: svn://www.crystallography.net/cod/cif/2/21/57/2215765.cif $
#------------------------------------------------------------------------------
#
# This file is available in the Crystallography Open Database (COD),
# http://www.crystallography.net/. The original data for this entry
# were provided by IUCr Journals, http://journals.iucr.org/.
#
# The file may be used within the scientific community so long as
# proper attribution is given to the journal article from which the
# data were obtained.
#
data_2215765
loop_
_publ_author_name
'Dahlenburg, Lutz'
'Treffert, Harald'
'Heinemann, Frank W.'
_publ_section_title
Chlorido(η⁴-cycloocta-1,5-diene)[(S)-2-(methoxymethyl)pyrrolidine-κN]rhodium(I)
_journal_coeditor_code           BG3061
_journal_issue                   11
_journal_name_full               'Acta Crystallographica Section E'
_journal_page_first              m2855
_journal_page_last               m2855
_journal_paper_doi               10.1107/S1600536807052920
_journal_volume                  63
_journal_year                    2007
_chemical_formula_iupac          '[Rh Cl (C8 H12) (C6 H13 N O)]'
_chemical_formula_moiety         'C14 H25 Cl N O Rh'
_chemical_formula_sum            'C14 H25 Cl N O Rh'
_chemical_formula_weight         361.71
_chemical_name_systematic
;Chlorido(η⁴-cycloocta-1,5-diene)[(S)-2-(methoxymethyl)pyrrolidine-
\kN]rhodium(I)
;
_space_group_IT_number           1
_symmetry_cell_setting           triclinic
_symmetry_space_group_name_Hall  'P 1'
_symmetry_space_group_name_H-M   'P 1'
_atom_sites_solution_hydrogens   geom
_atom_sites_solution_primary     direct
_atom_sites_solution_secondary   difmap
_audit_creation_method           SHELXL-97
_cell_angle_alpha                92.253(3)
_cell_angle_beta                 95.026(3)
_cell_angle_gamma                114.841(2)
_cell_formula_units_Z            2
_cell_length_a                   6.5499(2)
_cell_length_b                   6.6563(2)
_cell_length_c                   18.8540(7)
_cell_measurement_reflns_used    98
_cell_measurement_temperature    150(2)
_cell_measurement_theta_max      20.00
_cell_measurement_theta_min      6.00
_cell_volume                     740.44(4)
_computing_cell_refinement       'EVALCCD (Duisenberg et al.,  2003)'
_computing_data_collection       'COLLECT (Bruker, 2002)'
_computing_data_reduction        'EVALCCD (Duisenberg et al.,  2003)'
_computing_molecular_graphics    'ORTEP-3 for Windows (Farrugia, 1997)'
_computing_publication_material  'WinGX (Farrugia, 1999)'
_computing_structure_refinement  'SHELXL97 (Sheldrick, 1997)'
_computing_structure_solution    'SHELXTL-NT (Bruker, 2002)'
_diffrn_ambient_temperature      150(2)
_diffrn_detector_area_resol_mean 9
_diffrn_measured_fraction_theta_full 0.997
_diffrn_measured_fraction_theta_max 0.997
_diffrn_measurement_device_type  'Bruker--Nonius KappaCCD'
_diffrn_measurement_method
;
 ω-rotations with 1.70 ° and 76 sec per frame
;
_diffrn_radiation_monochromator  graphite
_diffrn_radiation_source         'fine-focus sealed tube'
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_reflns_av_R_equivalents  0.0186
_diffrn_reflns_av_sigmaI/netI    0.0301
_diffrn_reflns_limit_h_max       8
_diffrn_reflns_limit_h_min       -8
_diffrn_reflns_limit_k_max       8
_diffrn_reflns_limit_k_min       -8
_diffrn_reflns_limit_l_max       25
_diffrn_reflns_limit_l_min       -25
_diffrn_reflns_number            19576
_diffrn_reflns_theta_full        28.70
_diffrn_reflns_theta_max         28.70
_diffrn_reflns_theta_min         3.27
_exptl_absorpt_coefficient_mu    1.323
_exptl_absorpt_correction_T_max  0.880
_exptl_absorpt_correction_T_min  0.730
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   '(SADABS; Bruker, 2002)'
_exptl_crystal_colour            yellow
_exptl_crystal_density_diffrn    1.622
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       plate
_exptl_crystal_F_000             372
_exptl_crystal_size_max          0.25
_exptl_crystal_size_mid          0.18
_exptl_crystal_size_min          0.10
_refine_diff_density_max         0.366
_refine_diff_density_min         -0.350
_refine_ls_abs_structure_details 'Flack (1983)'
_refine_ls_abs_structure_Flack   -0.013(13)
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.056
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     327
_refine_ls_number_reflns         7489
_refine_ls_number_restraints     3
_refine_ls_restrained_S_all      1.056
_refine_ls_R_factor_all          0.0174
_refine_ls_R_factor_gt           0.0160
_refine_ls_shift/su_max          0.002
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'calc w=1/[σ²(Fo²)+(0.0125P)²+0.1842P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0350
_refine_ls_wR_factor_ref         0.0353
_reflns_number_gt                7246
_reflns_number_total             7489
_reflns_threshold_expression     I>2σ(I)
_cod_data_source_file            bg3061.cif
_cod_data_source_block           I
_cod_database_code               2215765
_cod_database_fobs_code          2215765
loop_
_symmetry_equiv_pos_as_xyz
'x, y, z'
loop_
_atom_site_type_symbol
_atom_site_label
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_U_iso_or_equiv
_atom_site_adp_type
_atom_site_calc_flag
_atom_site_refinement_flags
_atom_site_occupancy
Rh Rh1 0.084451(15) 0.914650(14) 0.609209(7) 0.01109(4) Uani d . 1
Cl Cl1 0.20120(12) 0.67363(10) 0.67548(3) 0.02427(14) Uani d . 1
N N1 0.2502(3) 1.1749(3) 0.69167(8) 0.0131(3) Uani d . 1
H H1 0.2092 1.2887 0.6803 0.016 Uiso calc R 1
O O1 -0.0795(3) 1.0168(3) 0.84488(8) 0.0287(4) Uani d . 1
C C1 0.5026(3) 1.2725(3) 0.69824(10) 0.0180(4) Uani d . 1
H H1A 0.5599 1.3537 0.6561 0.022 Uiso calc R 1
H H1B 0.5570 1.1549 0.7026 0.022 Uiso calc R 1
C C2 0.5807(3) 1.4316(3) 0.76628(11) 0.0217(4) Uani d . 1
H H2A 0.6092 1.5844 0.7549 0.026 Uiso calc R 1
H H2B 0.7209 1.4340 0.7916 0.026 Uiso calc R 1
C C3 0.3818(3) 1.3363(3) 0.81205(10) 0.0210(4) Uani d . 1
H H3A 0.4312 1.2943 0.8580 0.025 Uiso calc R 1
H H3B 0.3209 1.4465 0.8220 0.025 Uiso calc R 1
C C4 0.2023(3) 1.1302(4) 0.76651(10) 0.0142(4) Uani d . 1
H H4A 0.2276 0.9970 0.7788 0.017 Uiso calc R 1
C C5 -0.0394(3) 1.0849(4) 0.77490(10) 0.0178(4) Uani d . 1
H H5A -0.0633 1.2207 0.7686 0.021 Uiso calc R 1
H H5B -0.1442 0.9663 0.7387 0.021 Uiso calc R 1
C C6 -0.2952(4) 0.9857(4) 0.86247(12) 0.0254(4) Uani d . 1
H H6A -0.3208 0.9189 0.9081 0.038 Uiso calc R 1
H H6B -0.4116 0.8871 0.8250 0.038 Uiso calc R 1
H H6C -0.3029 1.1295 0.8665 0.038 Uiso calc R 1
C C7 0.0141(3) 0.7171(3) 0.50952(10) 0.0179(4) Uani d . 1
H H7A 0.1378 0.6841 0.5249 0.021 Uiso calc R 1
C C8 -0.1764(3) 0.6376(3) 0.54673(10) 0.0177(4) Uani d . 1
H H8A -0.1753 0.5469 0.5843 0.021 Uiso calc R 1
C C9 -0.3832(3) 0.6819(3) 0.53303(12) 0.0229(4) Uani d . 1
H H9A -0.4747 0.6343 0.5735 0.028 Uiso calc R 1
H H9B -0.4764 0.5903 0.4894 0.028 Uiso calc R 1
C C10 -0.3300(3) 0.9254(3) 0.52363(12) 0.0219(4) Uani d . 1
H H10A -0.3216 0.9514 0.4724 0.026 Uiso calc R 1
H H10B -0.4537 0.9584 0.5394 0.026 Uiso calc R 1
C C11 -0.1070(3) 1.0805(3) 0.56654(11) 0.0165(4) Uani d . 1
H H11A -0.1115 1.1258 0.6146 0.020 Uiso calc R 1
C C12 0.1055(3) 1.1619(3) 0.54041(10) 0.0155(4) Uani d . 1
H H12A 0.2311 1.2644 0.5717 0.019 Uiso calc R 1
C C13 0.1534(4) 1.1028(3) 0.46791(10) 0.0213(4) Uani d . 1
H H13A 0.3187 1.1521 0.4682 0.026 Uiso calc R 1
H H13B 0.1049 1.1838 0.4322 0.026 Uiso calc R 1
C C14 0.0326(4) 0.8540(3) 0.44560(11) 0.0238(4) Uani d . 1
H H14A -0.1211 0.8179 0.4219 0.029 Uiso calc R 1
H H14B 0.1170 0.8144 0.4107 0.029 Uiso calc R 1
Rh Rh2 0.094539(15) 0.761289(15) 0.114302(7) 0.01106(4) Uani d . 1
Cl Cl2 -0.21538(8) 0.68239(9) 0.18309(3) 0.02146(10) Uani d . 1
N N2 0.2549(3) 0.6455(3) 0.19530(9) 0.0143(3) Uani d . 1
H H2 0.3952 0.6673 0.1815 0.017 Uiso calc R 1
O O2 0.5079(2) 1.0692(2) 0.34836(7) 0.0215(3) Uani d . 1
C C15 0.1275(3) 0.4022(3) 0.20168(11) 0.0198(4) Uani d . 1
H H15A 0.1370 0.3147 0.1594 0.024 Uiso calc R 1
H H15B -0.0339 0.3633 0.2063 0.024 Uiso calc R 1
C C16 0.2431(4) 0.3587(4) 0.26888(11) 0.0248(4) Uani d . 1
H H16A 0.3738 0.3297 0.2580 0.030 Uiso calc R 1
H H16B 0.1360 0.2297 0.2912 0.030 Uiso calc R 1
C C17 0.3211(4) 0.5724(3) 0.31814(11) 0.0235(4) Uani d . 1
H H17A 0.4806 0.6220 0.3388 0.028 Uiso calc R 1
H H17B 0.2254 0.5483 0.3576 0.028 Uiso calc R 1
C C18 0.2969(3) 0.7465(3) 0.27071(9) 0.0149(3) Uani d . 1
H H18A 0.1607 0.7682 0.2819 0.018 Uiso calc R 1
C C19 0.4995(3) 0.9695(3) 0.27987(10) 0.0183(4) Uani d . 1
H H19A 0.6400 0.9502 0.2758 0.022 Uiso calc R 1
H H19B 0.4847 1.0644 0.2425 0.022 Uiso calc R 1
C C20 0.7024(4) 1.2750(4) 0.36377(12) 0.0264(4) Uani d . 1
H H20A 0.6966 1.3446 0.4099 0.040 Uiso calc R 1
H H20B 0.7055 1.3735 0.3262 0.040 Uiso calc R 1
H H20C 0.8392 1.2488 0.3659 0.040 Uiso calc R 1
C C21 -0.1169(3) 0.7272(3) 0.01827(10) 0.0168(4) Uani d . 1
H H21A -0.2417 0.6306 0.0408 0.020 Uiso calc R 1
C C22 -0.0168(4) 0.9508(4) 0.04382(14) 0.0185(5) Uani d . 1
H H22A -0.0744 0.9937 0.0834 0.022 Uiso calc R 1
C C23 0.1775(4) 1.1297(3) 0.01277(11) 0.0234(4) Uani d . 1
H H23A 0.1619 1.2711 0.0173 0.028 Uiso calc R 1
H H23B 0.1697 1.0881 -0.0387 0.028 Uiso calc R 1
C C24 0.4096(4) 1.1644(3) 0.05044(12) 0.0244(4) Uani d . 1
H H24A 0.5235 1.2168 0.0161 0.029 Uiso calc R 1
H H24B 0.4556 1.2818 0.0902 0.029 Uiso calc R 1
C C25 0.4086(3) 0.9560(3) 0.07954(10) 0.0181(4) Uani d . 1
H H25A 0.4751 0.9678 0.1273 0.022 Uiso calc R 1
C C26 0.3173(3) 0.7468(3) 0.04160(10) 0.0169(4) Uani d . 1
H H26A 0.3207 0.6251 0.0656 0.020 Uiso calc R 1
C C27 0.2129(3) 0.7032(4) -0.03583(11) 0.0210(4) Uani d . 1
H H27A 0.2477 0.5885 -0.0601 0.025 Uiso calc R 1
H H27B 0.2814 0.8411 -0.0603 0.025 Uiso calc R 1
C C28 -0.0445(4) 0.6248(4) -0.04210(11) 0.0195(4) Uani d . 1
H H28A -0.0959 0.6644 -0.0882 0.023 Uiso calc R 1
H H28B -0.1185 0.4610 -0.0420 0.023 Uiso calc R 1
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'
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'
Cl Cl 0.1484 0.1585 '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'
loop_
_geom_angle_atom_site_label_1
_geom_angle_atom_site_label_2
_geom_angle_atom_site_label_3
_geom_angle
_geom_angle_publ_flag
C12 Rh1 C11 38.94(7) ?
C12 Rh1 N1 87.10(7) ?
C11 Rh1 N1 90.70(7) ?
C12 Rh1 C8 98.37(7) ?
C11 Rh1 C8 82.13(8) ?
N1 Rh1 C8 160.31(7) ?
C12 Rh1 C7 81.99(7) ?
C11 Rh1 C7 90.51(8) ?
N1 Rh1 C7 161.01(7) ?
C8 Rh1 C7 38.17(7) ?
C12 Rh1 Cl1 158.38(6) ?
C11 Rh1 Cl1 162.67(6) ?
N1 Rh1 Cl1 90.47(4) yes
C8 Rh1 Cl1 91.09(5) ?
C7 Rh1 Cl1 93.97(6) ?
C4 N1 C1 102.50(14) ?
C4 N1 Rh1 119.03(12) ?
C1 N1 Rh1 114.78(11) ?
C4 N1 H1 106.6 ?
C1 N1 H1 106.6 ?
Rh1 N1 H1 106.6 ?
C6 O1 C5 113.45(15) ?
N1 C1 C2 104.90(15) ?
N1 C1 H1A 110.8 ?
C2 C1 H1A 110.8 ?
N1 C1 H1B 110.8 ?
C2 C1 H1B 110.8 ?
H1A C1 H1B 108.8 ?
C1 C2 C3 104.37(16) ?
C1 C2 H2A 110.9 ?
C3 C2 H2A 110.9 ?
C1 C2 H2B 110.9 ?
C3 C2 H2B 110.9 ?
H2A C2 H2B 108.9 ?
C4 C3 C2 104.89(16) ?
C4 C3 H3A 110.8 ?
C2 C3 H3A 110.8 ?
C4 C3 H3B 110.8 ?
C2 C3 H3B 110.8 ?
H3A C3 H3B 108.8 ?
N1 C4 C5 110.67(15) ?
N1 C4 C3 104.52(15) ?
C5 C4 C3 114.78(18) ?
N1 C4 H4A 108.9 ?
C5 C4 H4A 108.9 ?
C3 C4 H4A 108.9 ?
O1 C5 C4 107.16(15) ?
O1 C5 H5A 110.3 ?
C4 C5 H5A 110.3 ?
O1 C5 H5B 110.3 ?
C4 C5 H5B 110.3 ?
H5A C5 H5B 108.5 ?
O1 C6 H6A 109.5 ?
O1 C6 H6B 109.5 ?
H6A C6 H6B 109.5 ?
O1 C6 H6C 109.5 ?
H6A C6 H6C 109.5 ?
H6B C6 H6C 109.5 ?
C8 C7 C14 123.11(18) ?
C8 C7 Rh1 70.17(11) ?
C14 C7 Rh1 112.11(13) ?
C8 C7 H7A 118.4 ?
C14 C7 H7A 118.4 ?
Rh1 C7 H7A 87.8 ?
C7 C8 C9 126.34(17) ?
C7 C8 Rh1 71.66(11) ?
C9 C8 Rh1 109.19(13) ?
C7 C8 H8A 116.8 ?
C9 C8 H8A 116.8 ?
Rh1 C8 H8A 89.1 ?
C8 C9 C10 113.95(16) ?
C8 C9 H9A 108.8 ?
C10 C9 H9A 108.8 ?
C8 C9 H9B 108.8 ?
C10 C9 H9B 108.8 ?
H9A C9 H9B 107.7 ?
C11 C10 C9 111.37(16) ?
C11 C10 H10A 109.4 ?
C9 C10 H10A 109.4 ?
C11 C10 H10B 109.4 ?
C9 C10 H10B 109.4 ?
H10A C10 H10B 108.0 ?
C12 C11 C10 124.88(19) ?
C12 C11 Rh1 69.85(10) ?
C10 C11 Rh1 113.50(13) ?
C12 C11 H11A 117.6 ?
C10 C11 H11A 117.6 ?
Rh1 C11 H11A 86.6 ?
C11 C12 C13 126.47(18) ?
C11 C12 Rh1 71.21(10) ?
C13 C12 Rh1 110.29(13) ?
C11 C12 H12A 116.8 ?
C13 C12 H12A 116.8 ?
Rh1 C12 H12A 88.4 ?
C12 C13 C14 112.74(16) ?
C12 C13 H13A 109.0 ?
C14 C13 H13A 109.0 ?
C12 C13 H13B 109.0 ?
C14 C13 H13B 109.0 ?
H13A C13 H13B 107.8 ?
C7 C14 C13 111.54(16) ?
C7 C14 H14A 109.3 ?
C13 C14 H14A 109.3 ?
C7 C14 H14B 109.3 ?
C13 C14 H14B 109.3 ?
H14A C14 H14B 108.0 ?
C25 Rh2 C26 38.76(8) ?
C25 Rh2 C21 98.69(7) ?
C26 Rh2 C21 82.18(7) ?
C25 Rh2 N2 90.73(7) ?
C26 Rh2 N2 90.97(7) ?
C21 Rh2 N2 154.68(7) ?
C25 Rh2 C22 82.24(9) ?
C26 Rh2 C22 90.28(9) ?
C21 Rh2 C22 38.08(8) ?
N2 Rh2 C22 167.08(8) ?
C25 Rh2 Cl2 156.03(6) ?
C26 Rh2 Cl2 165.20(6) ?
C21 Rh2 Cl2 91.21(5) ?
N2 Rh2 Cl2 89.43(5) yes
C22 Rh2 Cl2 92.63(7) ?
C15 N2 C18 103.84(14) ?
C15 N2 Rh2 112.21(12) ?
C18 N2 Rh2 119.48(12) ?
C15 N2 H2 106.9 ?
C18 N2 H2 106.9 ?
Rh2 N2 H2 106.9 ?
C19 O2 C20 111.74(16) ?
N2 C15 C16 104.54(16) ?
N2 C15 H15A 110.8 ?
C16 C15 H15A 110.8 ?
N2 C15 H15B 110.8 ?
C16 C15 H15B 110.8 ?
H15A C15 H15B 108.9 ?
C15 C16 C17 104.50(16) ?
C15 C16 H16A 110.9 ?
C17 C16 H16A 110.9 ?
C15 C16 H16B 110.9 ?
C17 C16 H16B 110.9 ?
H16A C16 H16B 108.9 ?
C16 C17 C18 105.80(16) ?
C16 C17 H17A 110.6 ?
C18 C17 H17A 110.6 ?
C16 C17 H17B 110.6 ?
C18 C17 H17B 110.6 ?
H17A C17 H17B 108.7 ?
N2 C18 C19 110.83(15) ?
N2 C18 C17 105.67(15) ?
C19 C18 C17 114.30(16) ?
N2 C18 H18A 108.6 ?
C19 C18 H18A 108.6 ?
C17 C18 H18A 108.6 ?
O2 C19 C18 107.61(15) ?
O2 C19 H19A 110.2 ?
C18 C19 H19A 110.2 ?
O2 C19 H19B 110.2 ?
C18 C19 H19B 110.2 ?
H19A C19 H19B 108.5 ?
O2 C20 H20A 109.5 ?
O2 C20 H20B 109.5 ?
H20A C20 H20B 109.5 ?
O2 C20 H20C 109.5 ?
H20A C20 H20C 109.5 ?
H20B C20 H20C 109.5 ?
C22 C21 C28 125.83(19) ?
C22 C21 Rh2 71.97(13) ?
C28 C21 Rh2 109.72(13) ?
C22 C21 H21A 117.1 ?
C28 C21 H21A 117.1 ?
Rh2 C21 H21A 88.2 ?
C21 C22 C23 124.4(2) ?
C21 C22 Rh2 69.95(12) ?
C23 C22 Rh2 112.47(16) ?
C21 C22 H22A 117.8 ?
C23 C22 H22A 117.8 ?
Rh2 C22 H22A 87.6 ?
C22 C23 C24 112.19(17) ?
C22 C23 H23A 109.2 ?
C24 C23 H23A 109.2 ?
C22 C23 H23B 109.2 ?
C24 C23 H23B 109.2 ?
H23A C23 H23B 107.9 ?
C25 C24 C23 112.97(16) ?
C25 C24 H24A 109.0 ?
C23 C24 H24A 109.0 ?
C25 C24 H24B 109.0 ?
C23 C24 H24B 109.0 ?
H24A C24 H24B 107.8 ?
C26 C25 C24 124.98(18) ?
C26 C25 Rh2 71.28(10) ?
C24 C25 Rh2 110.91(13) ?
C26 C25 H25A 117.5 ?
C24 C25 H25A 117.5 ?
Rh2 C25 H25A 87.8 ?
C25 C26 C27 123.65(18) ?
C25 C26 Rh2 69.96(10) ?
C27 C26 Rh2 113.19(13) ?
C25 C26 H26A 118.2 ?
C27 C26 H26A 118.2 ?
Rh2 C26 H26A 86.9 ?
C26 C27 C28 111.86(16) ?
C26 C27 H27A 109.2 ?
C28 C27 H27A 109.2 ?
C26 C27 H27B 109.2 ?
C28 C27 H27B 109.2 ?
H27A C27 H27B 107.9 ?
C21 C28 C27 112.25(17) ?
C21 C28 H28A 109.2 ?
C27 C28 H28A 109.2 ?
C21 C28 H28B 109.2 ?
C27 C28 H28B 109.2 ?
H28A C28 H28B 107.9 ?
loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_publ_flag
Rh1 N1 2.1236(15) yes
Rh1 Cl1 2.3960(6) yes
Rh1 C11 2.1199(17) yes
Rh1 C12 2.1021(17) yes
Rh1 C7 2.1491(19) yes
Rh1 C8 2.1300(19) yes
N1 C4 1.487(2) ?
N1 C1 1.492(2) ?
N1 H1 0.9300 ?
O1 C6 1.411(2) ?
O1 C5 1.422(2) ?
C1 C2 1.534(3) ?
C1 H1A 0.9900 ?
C1 H1B 0.9900 ?
C2 C3 1.546(3) ?
C2 H2A 0.9900 ?
C2 H2B 0.9900 ?
C3 C4 1.542(3) ?
C3 H3A 0.9900 ?
C3 H3B 0.9900 ?
C4 C5 1.506(3) ?
C4 H4A 1.0000 ?
C5 H5A 0.9900 ?
C5 H5B 0.9900 ?
C6 H6A 0.9800 ?
C6 H6B 0.9800 ?
C6 H6C 0.9800 ?
C7 C8 1.399(3) ?
C7 C14 1.522(3) ?
C7 H7A 0.9500 ?
C8 C9 1.506(3) ?
C8 H8A 0.9500 ?
C9 C10 1.529(3) ?
C9 H9A 0.9900 ?
C9 H9B 0.9900 ?
C10 C11 1.521(3) ?
C10 H10A 0.9900 ?
C10 H10B 0.9900 ?
C11 C12 1.407(3) ?
C11 H11A 0.9500 ?
C12 C13 1.503(3) ?
C12 H12A 0.9500 ?
C13 C14 1.527(3) ?
C13 H13A 0.9900 ?
C13 H13B 0.9900 ?
C14 H14A 0.9900 ?
C14 H14B 0.9900 ?
Rh2 N2 2.1263(15) yes
Rh2 Cl2 2.3870(5) yes
Rh2 C25 2.0985(18) yes
Rh2 C26 2.1154(18) yes
Rh2 C21 2.1242(18) yes
Rh2 C22 2.150(2) yes
N2 C15 1.494(2) ?
N2 C18 1.500(2) ?
N2 H2 0.9300 ?
O2 C19 1.415(2) ?
O2 C20 1.422(3) ?
C15 C16 1.519(3) ?
C15 H15A 0.9900 ?
C15 H15B 0.9900 ?
C16 C17 1.533(3) ?
C16 H16A 0.9900 ?
C16 H16B 0.9900 ?
C17 C18 1.542(3) ?
C17 H17A 0.9900 ?
C17 H17B 0.9900 ?
C18 C19 1.510(3) ?
C18 H18A 1.0000 ?
C19 H19A 0.9900 ?
C19 H19B 0.9900 ?
C20 H20A 0.9800 ?
C20 H20B 0.9800 ?
C20 H20C 0.9800 ?
C21 C22 1.395(3) ?
C21 C28 1.514(3) ?
C21 H21A 0.9500 ?
C22 C23 1.514(3) ?
C22 H22A 0.9500 ?
C23 C24 1.540(3) ?
C23 H23A 0.9900 ?
C23 H23B 0.9900 ?
C24 C25 1.510(3) ?
C24 H24A 0.9900 ?
C24 H24B 0.9900 ?
C25 C26 1.398(3) ?
C25 H25A 0.9500 ?
C26 C27 1.519(3) ?
C26 H26A 0.9500 ?
C27 C28 1.533(3) ?
C27 H27A 0.9900 ?
C27 H27B 0.9900 ?
C28 H28A 0.9900 ?
C28 H28B 0.9900 ?
loop_
_geom_hbond_atom_site_label_D
_geom_hbond_atom_site_label_H
_geom_hbond_atom_site_label_A
_geom_hbond_site_symmetry_A
_geom_hbond_distance_DH
_geom_hbond_distance_HA
_geom_hbond_distance_DA
_geom_hbond_angle_DHA
N1 H1 Cl1 1_565 0.93 2.59 3.4888(16) 162.8
N2 H2 Cl2 1_655 0.93 2.51 3.4028(16) 161.5
