<i>catena</i>-Poly[[[tetrakis(μ-acetato-κ^2^<i>O</i>:<i>O</i>')dirhodium(II)]-μ-[1,3-bis(dimethylamino)propan-2-ol-κ^2^<i>N</i>:<i>N</i>']] tetrahydrofuran hemisolvate]
Pevec, Andrej; Alojz Demšar; Aoki, Katsuyuki; Turel, Iztok; Acta Crystallographica Section C 62 (2006) m545–m547; doi:10.1107/S0108270106040972

data_2015660
_publ_section_title
;<i>catena</i>-Poly[[[tetrakis(\m-acetato-\k^2^<i>O</i>:<i>O</i>')dirhodium(II)]-\m-[1,3-bis(dimethylamino)propan-2-ol-\k^2^<i>N</i>:<i>N</i>']]
 tetrahydrofuran hemisolvate]
;
_journal_coeditor_code           SK3054
_journal_issue                   11
_journal_name_full               'Acta Crystallographica Section C'
_journal_page_first              m545
_journal_page_last               m547
_journal_paper_doi               10.1107/S0108270106040972
_journal_volume                  62
_journal_year                    2006
_chemical_formula_iupac          '[Rh2 (C2 H3 O2)4 (C7 H18 N2 O)], C4 H8 O'
_chemical_formula_moiety
'[Rh2 (C2 H3 O2)4 (C7 H18 N2 O)] , 0.5C4 H8 O'
_chemical_formula_sum            'C17 H34 N2 O9.5 Rh2'
_chemical_formula_weight         624.28
_chemical_name_systematic
;
<i>catena</i>-Poly-[tetrakis(\m-acetato-<i>O</i>,<i>O</i>')-
\m-1,3-bis(dimethylamino)-2-propanol-<i>N</i>,<i>N</i>'-dirhodium(II)
tetrahydrofuran hemisolvate]
;
_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'
_atom_sites_solution_hydrogens   geom
_atom_sites_solution_primary     direct
_atom_sites_solution_secondary   difmap
_audit_creation_method           SHELXL-97
_cell_angle_alpha                90.00
_cell_angle_beta                 90.3330(9)
_cell_angle_gamma                90.00
_cell_formula_units_Z            4
_cell_length_a                   8.4443(2)
_cell_length_b                   18.0873(4)
_cell_length_c                   15.9154(3)
_cell_measurement_reflns_used    5556
_cell_measurement_temperature    150(2)
_cell_measurement_theta_max      27.48
_cell_measurement_theta_min      2.55
_cell_volume                     2430.79(9)
_computing_cell_refinement
'DENZO and SCALEPACK (Otwinowski & Minor, 1997)'
_computing_data_collection       'COLLECT (Nonius, 1998)'
_computing_data_reduction        'DENZO and SCALEPACK'
_computing_molecular_graphics    'PLATON (Spek, 2003)'
_computing_publication_material  'WinGX (Farrugia, 1999)'
_computing_structure_refinement  'SHELXL97 (Sheldrick, 1997)'
_computing_structure_solution    'SHELXS97 (Sheldrick, 1997)'
_diffrn_ambient_temperature      150(2)
_diffrn_detector_area_resol_mean 0.055
_diffrn_measured_fraction_theta_full 0.997
_diffrn_measured_fraction_theta_max 0.997
_diffrn_measurement_device_type
;
Nonius KappaCCD area-detector diffractometer
;
_diffrn_measurement_method       '\w scans'
_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  0.0370
_diffrn_reflns_av_sigmaI/netI    0.0524
_diffrn_reflns_limit_h_max       10
_diffrn_reflns_limit_h_min       -10
_diffrn_reflns_limit_k_max       23
_diffrn_reflns_limit_k_min       -23
_diffrn_reflns_limit_l_max       20
_diffrn_reflns_limit_l_min       -20
_diffrn_reflns_number            10601
_diffrn_reflns_theta_full        27.46
_diffrn_reflns_theta_max         27.46
_diffrn_reflns_theta_min         3.30
_diffrn_standards_number         0
_exptl_absorpt_coefficient_mu    1.406
_exptl_absorpt_correction_T_max  0.9330
_exptl_absorpt_correction_T_min  0.8722
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   '(SCALEPACK; Otwinowski & Minor, 1997)'
_exptl_crystal_colour            pink
_exptl_crystal_density_diffrn    1.706
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       block
_exptl_crystal_F_000             1264
_exptl_crystal_size_max          0.10
_exptl_crystal_size_mid          0.05
_exptl_crystal_size_min          0.05
_refine_diff_density_max         0.703
_refine_diff_density_min         -0.561
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.048
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     307
_refine_ls_number_reflns         5542
_refine_ls_number_restraints     4
_refine_ls_restrained_S_all      1.048
_refine_ls_R_factor_all          0.0661
_refine_ls_R_factor_gt           0.0375
_refine_ls_shift/su_max          0.001
_refine_ls_shift/su_mean         0.0001
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'calc w=1/[\s^2^(Fo^2^)+(0.0172P)^2^+4.6899P] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0692
_refine_ls_wR_factor_ref         0.0781
_reflns_number_gt                4012
_reflns_number_total             5542
_reflns_threshold_expression     I>2\s(I)
_cod_data_source_file            sk3054.cif
_cod_data_source_block           I
_cod_original_sg_symbol_H-M      'P 21/c'
_cod_original_formula_sum        'C17 H34 N2 O9.50 Rh2'
_cod_database_code               2015660
_cod_database_fobs_code          2015660