Rhodium(I) complexes with 1,5-diazabicyclo[4.3.0]non-5-ene (dbn) as a ligand: [RhCl(nbd)(dbn)] (I) and [Rh(dbn)~2~(cod)][PF~6~] (II) (nbd = norbornadiene, cod = 1,5-cyclooctadiene)
Flörke, Ulrich; Haupt, Hans-Jürgen; Acta Crystallographica Section C 50 (1994) 1424–1427; doi:10.1107/S0108270194003823

data_2010038
_publ_section_title
;
 Rhodium(I) complexes with 1,5-diazabicyclo[4.3.0]non-5-ene (dbn) as a
 ligand: [RhCl(nbd)(dbn)] (I) and [Rh(dbn)~2~(cod)][PF~6~] (II) (nbd =
 norbornadiene, cod = 1,5-cyclooctadiene)
;
_journal_issue                   9
_journal_name_full               'Acta Crystallographica Section C'
_journal_page_first              1424
_journal_page_last               1427
_journal_paper_doi               10.1107/S0108270194003823
_journal_volume                  50
_journal_year                    1994
_chemical_formula_sum            'C14 H20 Cl N2 Rh'
_chemical_formula_weight         354.68
_chemical_name_systematic
;
 chloro-(bicyclo[2.2.1]hepta-2,5-diene)-(diazabicyclo[4.3.0]non-5-ene)
 rhodium(I)
;
_space_group_IT_number           14
_symmetry_cell_setting           monoclinic
_symmetry_space_group_name_Hall  '-P 2ybc'
_symmetry_space_group_name_H-M   'P 1 21/c 1'
_cell_angle_alpha                90.00
_cell_angle_beta                 114.22(2)
_cell_angle_gamma                90.00
_cell_formula_units_Z            4
_cell_length_a                   14.139(4)
_cell_length_b                   7.378(2)
_cell_length_c                   14.855(4)
_cell_measurement_reflns_used    25
_cell_measurement_temperature    293(2)
_cell_measurement_theta_max      16
_cell_measurement_theta_min      8
_cell_volume                     1413.2(7)
_computing_structure_refinement  'SHELXL93 (Sheldrick, 1994)'
_computing_structure_solution    'SHELXS86 (Sheldrick, 1990)'
_diffrn_ambient_temperature      293(2)
_diffrn_measurement_device       'Siemens R3m/V'
_diffrn_measurement_method       \w-2\q
_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  0.0232
_diffrn_reflns_av_sigmaI/netI    0.0679
_diffrn_reflns_limit_h_max       18
_diffrn_reflns_limit_h_min       0
_diffrn_reflns_limit_k_max       9
_diffrn_reflns_limit_k_min       0
_diffrn_reflns_limit_l_max       17
_diffrn_reflns_limit_l_min       -19
_diffrn_reflns_number            3411
_diffrn_reflns_theta_max         27.55
_diffrn_reflns_theta_min         2.76
_diffrn_standards_decay_%        0
_diffrn_standards_interval_count 400
_diffrn_standards_number         3
_exptl_absorpt_coefficient_mu    1.381
_exptl_absorpt_correction_T_max  0.977
_exptl_absorpt_correction_T_min  0.834
_exptl_absorpt_correction_type   'empirical via \y-scans'
_exptl_crystal_colour            yellow
_exptl_crystal_density_diffrn    1.667
_exptl_crystal_description       plate
_exptl_crystal_F_000             720
_exptl_crystal_size_max          0.30
_exptl_crystal_size_mid          0.16
_exptl_crystal_size_min          0.05
_refine_diff_density_max         0.734
_refine_diff_density_min         -0.559
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_all   1.030
_refine_ls_goodness_of_fit_obs   1.074
_refine_ls_hydrogen_treatment    noref
_refine_ls_matrix_type           full
_refine_ls_number_parameters     172
_refine_ls_number_reflns         3282
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      1.030
_refine_ls_restrained_S_obs      1.074
_refine_ls_R_factor_all          0.0923
_refine_ls_R_factor_obs          0.0482
_refine_ls_shift/esd_max         0.000
_refine_ls_shift/esd_mean        0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_scheme
; w = 1/[\s^2^(F~o~^2^) + (0.0414P)^2^ + 0.4404P]
where P = (F~o~^2^ + 2F~c~^2^)/3
;
_refine_ls_wR_factor_all         0.1086
_refine_ls_wR_factor_obs         0.0909
_reflns_number_observed          2166
_reflns_number_total             3282
_reflns_observed_criterion       I>2\s(I)
_cod_data_source_file            hr1015.cif
_cod_data_source_block           I
_cod_original_sg_symbol_H-M      'P 21/c'
_cod_database_code               2010038