Dicarbonyl[2-hydroxy-3,5,7-tris(morpholinomethyl)cyclohepta-2,4,6-trienonato(1‒)-κ^2^O^1^,O^2^]rhodium(I)
Hill, Tania N.; Steyl, G.; Acta Crystallographica Section E 64 (2008) m1580–m1581; doi:10.1107/S160053680803780X

data_2220248
_publ_section_title
Dicarbonyl[2-hydroxy-3,5,7-tris(morpholinomethyl)cyclohepta-2,4,6-trienonato(1--)-\k^2^O^1^,O^2^]rhodium(I)
_journal_coeditor_code           HY2163
_journal_issue                   12
_journal_name_full               'Acta Crystallographica Section E'
_journal_page_first              m1580
_journal_page_last               m1581
_journal_paper_doi               10.1107/S160053680803780X
_journal_volume                  64
_journal_year                    2008
_chemical_formula_iupac          '[Rh (C22 H32 N3 O5) (CO)2]'
_chemical_formula_moiety         'C24 H32 N3 O7 Rh'
_chemical_formula_sum            'C24 H32 N3 O7 Rh'
_chemical_formula_weight         577.44
_chemical_name_systematic
;
Dicarbonyl[2-hydroxy-3,5,7-tris(morpholinomethyl)cyclohepta-2,4,6-
trienonato(1-)-\k^2^O^1^,O^2^]rhodium(I)
;
_space_group_IT_number           15
_symmetry_cell_setting           monoclinic
_symmetry_space_group_name_Hall  '-C 2yc'
_symmetry_space_group_name_H-M   'C 1 2/c 1'
_audit_creation_method           'WinGX routine CIF_UPDATE'
_cell_angle_alpha                90
_cell_angle_beta                 105.7720(10)
_cell_angle_gamma                90
_cell_formula_units_Z            8
_cell_length_a                   17.7889(6)
_cell_length_b                   16.6106(5)
_cell_length_c                   17.7279(4)
_cell_measurement_reflns_used    7078
_cell_measurement_temperature    100(2)
_cell_measurement_theta_max      26.33
_cell_measurement_theta_min      2.38
_cell_volume                     5041.1(3)
_computing_cell_refinement       'SAINT-Plus (Bruker, 2007)'
_computing_data_collection       'APEX2 (Bruker, 2007)'
_computing_data_reduction        'SAINT-Plus (Bruker, 2007)'
_computing_molecular_graphics    'DIAMOND (Brandenburg & Putz, 1999)'
_computing_publication_material  'WinGX (Farrugia, 1999)'
_computing_structure_refinement  'SHELXL97 (Sheldrick, 2008)'
_computing_structure_solution    'SHELXS97 (Sheldrick, 2008)'
_diffrn_measured_fraction_theta_full 0.990
_diffrn_measured_fraction_theta_max 0.990
_diffrn_measurement_device_type  'Bruker X8 APEXII Kappa CCD'
_diffrn_measurement_method       '\w and \f scans'
_diffrn_radiation_monochromator  graphite
_diffrn_radiation_source         'sealed tube'
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_reflns_av_R_equivalents  0.06
_diffrn_reflns_limit_h_max       22
_diffrn_reflns_limit_h_min       -23
_diffrn_reflns_limit_k_max       22
_diffrn_reflns_limit_k_min       -22
_diffrn_reflns_limit_l_max       21
_diffrn_reflns_limit_l_min       -23
_diffrn_reflns_number            36747
_diffrn_reflns_theta_full        27.00
_diffrn_reflns_theta_max         27.00
_diffrn_reflns_theta_min         1.89
_exptl_absorpt_coefficient_mu    0.726
_exptl_absorpt_correction_T_max  0.966
_exptl_absorpt_correction_T_min  0.901
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   '(SADABS; Bruker, 2001)'
_exptl_crystal_colour            yellow
_exptl_crystal_density_diffrn    1.522
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       Needle
_exptl_crystal_F_000             2384
_exptl_crystal_size_max          0.15
_exptl_crystal_size_mid          0.06
_exptl_crystal_size_min          0.05
_refine_diff_density_max         0.575
_refine_diff_density_min         -0.551
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.008
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     316
_refine_ls_number_reflns         5450
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      1.008
_refine_ls_R_factor_gt           0.0337
_refine_ls_shift/su_max          0.001
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'calc w=1/[\s^2^(Fo^2^)+(0.0228P)^2^+6.7535P] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_ref         0.0696
_reflns_number_gt                4616
_reflns_number_total             5450
_reflns_threshold_expression     I>2\s(I)
_cod_data_source_file            hy2163.cif
_cod_data_source_block           I
_cod_original_sg_symbol_H-M      'C 2/c'
_cod_database_code               2220248
_cod_database_fobs_code          2220248