Carbonyl(<i>N</i>-nitroso-<i>N</i>-oxido-1-naphtylamine-κ^2^<i>O</i>,<i>O</i>')(triphenylphosphine-κ<i>P</i>)rhodium(I) acetone solvate
Venter, Johan A.; Purcell, W.; Visser, H. G.; Muller, T. J.; Acta Crystallographica Section E 65 (2009) m1578–; doi:10.1107/S1600536809047321

data_2224482
_publ_section_title
;Carbonyl(<i>N</i>-nitroso-<i>N</i>-oxido-1-naphtylamine-\k^2^<i>O</i>,<i>O</i>')(triphenylphosphine-\k<i>P</i>)rhodium(I)
 acetone solvate
;
_journal_coeditor_code           WM2279
_journal_issue                   12
_journal_name_full               'Acta Crystallographica Section E'
_journal_page_first              m1578
_journal_paper_doi               10.1107/S1600536809047321
_journal_volume                  65
_journal_year                    2009
_chemical_formula_iupac
'[Rh (C10 H7 N2 O2) (C18 H15 P) (C O)], C3 H6 O'
_chemical_formula_moiety         'C29 H22 N2 O3 P Rh, C3 H6 O'
_chemical_formula_sum            'C32 H28 N2 O4 P Rh'
_chemical_formula_weight         638.44
_chemical_name_systematic
;
Carbonyl(<i>N</i>-nitroso-<i>N</i>-oxido-1-naphtylamine-
\k^2^<i>O</i>,<i>O</i>')(triphenylphosphine-\k<i>P</i>)rhodium(I) acetone
solvate
;
_space_group_IT_number           2
_symmetry_cell_setting           triclinic
_symmetry_space_group_name_Hall  '-P 1'
_symmetry_space_group_name_H-M   'P -1'
_audit_creation_method           'WinGX routine CIF_UPDATE'
_cell_angle_alpha                77.499(5)
_cell_angle_beta                 85.045(5)
_cell_angle_gamma                70.279(5)
_cell_formula_units_Z            2
_cell_length_a                   9.709(5)
_cell_length_b                   10.186(5)
_cell_length_c                   15.393(5)
_cell_measurement_reflns_used    5578
_cell_measurement_temperature    100(2)
_cell_measurement_theta_max      28.1
_cell_measurement_theta_min      2.11
_cell_volume                     1398.9(11)
_computing_cell_refinement       'SAINT-Plus (Bruker, 2004)'
_computing_data_collection       'APEX2 (Bruker, 2005)'
_computing_data_reduction        'SAINT-Plus and XPREP (Bruker, 2004)'
_computing_molecular_graphics    'DIAMOND (Brandenburg & Putz, 2005)'
_computing_publication_material  'WinGX (Farrugia, 1999)'
_computing_structure_refinement  'SHELXL97 (Sheldrick, 2008)'
_computing_structure_solution    'SIR97 (Altomare <i>et al.</i>,  1999)'
_diffrn_ambient_temperature      100(2)
_diffrn_measured_fraction_theta_full 0.993
_diffrn_measured_fraction_theta_max 0.993
_diffrn_measurement_device_type
;
Bruker X8 APEXII 4K Kappa CCD
;
_diffrn_measurement_method       '\f and \w'
_diffrn_radiation_monochromator  graphite
_diffrn_radiation_source         'sealed tube'
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71069
_diffrn_reflns_av_R_equivalents  0.0525
_diffrn_reflns_limit_h_max       12
_diffrn_reflns_limit_h_min       -11
_diffrn_reflns_limit_k_max       13
_diffrn_reflns_limit_k_min       -13
_diffrn_reflns_limit_l_max       20
_diffrn_reflns_limit_l_min       -19
_diffrn_reflns_number            23989
_diffrn_reflns_theta_full        28
_diffrn_reflns_theta_max         28
_diffrn_reflns_theta_min         1.36
_exptl_absorpt_coefficient_mu    0.708
_exptl_absorpt_correction_T_max  0.8471
_exptl_absorpt_correction_T_min  0.763
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details
;
SADABS (Bruker, 2004)
;
_exptl_crystal_colour            yellow
_exptl_crystal_density_diffrn    1.516
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       plate
_exptl_crystal_F_000             652
_exptl_crystal_size_max          0.211
_exptl_crystal_size_mid          0.208
_exptl_crystal_size_min          0.075
_refine_diff_density_max         1.751
_refine_diff_density_min         -1.18
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.16
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     363
_refine_ls_number_reflns         6710
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      1.16
_refine_ls_R_factor_gt           0.0465
_refine_ls_shift/su_max          0.001
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'w=1/[\s^2^(Fo^2^)+(0.0853P)^2^+0.0168P] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_ref         0.1567
_reflns_number_gt                5377
_reflns_number_total             6710
_reflns_threshold_expression     I>2\s(I)
_cod_data_source_file            wm2279.cif
_cod_data_source_block           I
_cod_depositor_comments
;
The following automatic conversions were performed:
'_symmetry_cell_setting' value 'Triclinic' changed to 'triclinic'
according to '/home/saulius/struct/CIF-dictionaries/cif_core.dic'
dictionary named 'cif_core.dic' version 2.4.1 from 2010-06-29.

Automatic conversion script
Id: cif_fix_enum 1527 2010-12-29 10:47:43Z saulius 

The following automatic conversions were performed:

'_symmetry_cell_setting' value 'Triclinic' changed to 'triclinic'
according to /home/saulius/struct/CIF-dictionaries/cif_core.dic
dictionary named 'cif_core.dic' version 2.4.1 from 2010-06-29.

Automatic conversion script
Id: cif_fix_values 1715 2011-07-08 13:25:40Z adriana 
;
_cod_database_code               2224482
_cod_database_fobs_code          2224482