Tetrakis(μ-benzoato-κ^2^<i>O</i>:<i>O</i>')bis[(piperidine-κ<i>N</i>)rhodium]
Selent, Detlef; Drexler, Hans-Joachim; IUCrData 2 (2017) x170205–; doi:10.1107/S241431461700205X

data_1545504
_publ_section_title
;
 Tetrakis(\m-benzoato-\k^2^<i>O</i>:<i>O</i>')bis[(piperidine-\k<i>N</i>)rhodium]
;
_journal_issue                   2
_journal_name_full               IUCrData
_journal_page_first              x170205
_journal_paper_doi               10.1107/S241431461700205X
_journal_volume                  2
_journal_year                    2017
_chemical_formula_iupac          '[Rh2 (C7 H5 O2)4 (C5 H11 N)2]'
_chemical_formula_moiety         'C38 H42 N2 O8 Rh2'
_chemical_formula_sum            'C38 H42 N2 O8 Rh2'
_chemical_formula_weight         860.55
_chemical_name_systematic
Tetrakis(\m-benzoato-\k^2^<i>O</i>:<i>O</i>')bis[(piperidine-\k<i>N</i>)rhodium]
_space_group_crystal_system      monoclinic
_space_group_IT_number           14
_space_group_name_Hall           '-P 2yn'
_space_group_name_H-M_alt        'P 1 21/n 1'
_symmetry_space_group_name_Hall  '-P 2yn'
_symmetry_space_group_name_H-M   'P 1 21/n 1'
_atom_sites_solution_hydrogens   mixed
_audit_creation_method           SHELXL-2014
_cell_angle_alpha                90
_cell_angle_beta                 96.0780(10)
_cell_angle_gamma                90
_cell_formula_units_Z            2
_cell_length_a                   10.72240(10)
_cell_length_b                   11.1042(2)
_cell_length_c                   14.7761(2)
_cell_measurement_reflns_used    9954
_cell_measurement_temperature    150(2)
_cell_measurement_theta_max      30.51
_cell_measurement_theta_min      2.89
_cell_volume                     1749.41(4)
_computing_cell_refinement
;
SAINT (Bruker, 2013)
;
_computing_data_collection
;
APEX2 (Bruker, 2014)
;
_computing_data_reduction
;
SAINT (Bruker, 2013)
;
_computing_molecular_graphics
;
XP in SHELXTL (Sheldrick, 2008)
;
_computing_publication_material
;
publCIF (Westrip, 2010) and PLATON (Spek, 2009)
;
_computing_structure_refinement
;
SHELXL2014 (Sheldrick, 2015)
;
_computing_structure_solution
;
SHELXS97 (Sheldrick, 2008)
;
_diffrn_ambient_temperature      150(2)
_diffrn_detector_area_resol_mean 8.3333
_diffrn_measured_fraction_theta_full 1.000
_diffrn_measured_fraction_theta_max 1.000
_diffrn_measurement_device_type  'Bruker APEXII CCD'
_diffrn_measurement_method       '\f and \w scans'
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_reflns_av_R_equivalents  0.0219
_diffrn_reflns_limit_h_max       15
_diffrn_reflns_limit_h_min       -15
_diffrn_reflns_limit_k_max       14
_diffrn_reflns_limit_k_min       -15
_diffrn_reflns_limit_l_max       20
_diffrn_reflns_limit_l_min       -21
_diffrn_reflns_number            35557
_diffrn_reflns_theta_full        25.242
_diffrn_reflns_theta_max         30.517
_diffrn_reflns_theta_min         2.299
_exptl_absorpt_coefficient_mu    0.999
_exptl_absorpt_correction_T_max  0.7461
_exptl_absorpt_correction_T_min  0.6836
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details
;
(SADABS; Bruker, 2014)
;
_exptl_crystal_colour            red
_exptl_crystal_density_diffrn    1.634
_exptl_crystal_description       prism
_exptl_crystal_F_000             876
_exptl_crystal_size_max          0.439
_exptl_crystal_size_mid          0.260
_exptl_crystal_size_min          0.166
_refine_diff_density_max         0.812
_refine_diff_density_min         -0.540
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.053
_refine_ls_hydrogen_treatment    mixed
_refine_ls_matrix_type           full
_refine_ls_number_parameters     230
_refine_ls_number_reflns         5343
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      1.053
_refine_ls_R_factor_all          0.0236
_refine_ls_R_factor_gt           0.0210
_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/[\s^2^(Fo^2^)+(0.0255P)^2^+1.4431P] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0528
_refine_ls_wR_factor_ref         0.0545
_reflns_number_gt                4939
_reflns_number_total             5343
_reflns_threshold_expression     'I > 2\s(I)'
_cod_data_source_file            lh4016sup1.cif
_cod_data_source_block           I
_cod_database_code               1545504
_cod_database_fobs_code          1545504
_shelx_estimated_absorpt_t_min   0.668
_shelx_estimated_absorpt_t_max   0.852
_shelx_hkl_checksum              93803
_shelx_res_checksum              83796
_shelxl_version_number           2.014