Correction to Photochemistry of trans-Cr(cyclam)(ONO)2+, a nitric Oxide Precursor
Alexis D. Ostrowski; Ryan O. Absalonson; Malcolm A. De Leo; Guang Wu; James G. Pavlovich; Janet Adamson; Bilal Azhar; Alexei V. Iretskii; Ian L. Megson; Peter C. Ford; Inorganic Chemistry 50 (2011) 5848–5848; doi:10.1021/ic200888n

data_4325459
_publ_section_title
;
 Correction to Photochemistry of trans-Cr(cyclam)(ONO)2+, a nitric Oxide
 Precursor
;
_journal_name_full               'Inorganic Chemistry'
_journal_page_first              5848
_journal_page_last               5848
_journal_paper_doi               10.1021/ic200888n
_journal_volume                  50
_journal_year                    2011
_chemical_formula_sum            'C10 H26 Cl Cr F2 O5 n4'
_chemical_formula_weight         407.80
_chemical_name_systematic
; 
 ? 
;
_space_group_IT_number           2
_symmetry_cell_setting           triclinic
_symmetry_space_group_name_Hall  '-P 1'
_symmetry_space_group_name_H-M   'P -1'
_atom_sites_solution_hydrogens   geom
_atom_sites_solution_primary     direct
_atom_sites_solution_secondary   difmap
_audit_creation_method           SHELXL-97
_cell_angle_alpha                98.812(5)
_cell_angle_beta                 106.707(5)
_cell_angle_gamma                114.349(4)
_cell_formula_units_Z            2
_cell_length_a                   9.518(3)
_cell_length_b                   9.950(3)
_cell_length_c                   10.948(4)
_cell_measurement_temperature    293(2)
_cell_volume                     859.7(5)
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 2008)'
_computing_structure_solution    'SHELXS-97 (Sheldrick, 2008)'
_diffrn_ambient_temperature      293(2)
_diffrn_measured_fraction_theta_full 0.983
_diffrn_measured_fraction_theta_max 0.983
_diffrn_measurement_device_type  'smart 1000 CCD'
_diffrn_measurement_method       'Omega scan'
_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  0.0516
_diffrn_reflns_av_sigmaI/netI    0.0414
_diffrn_reflns_limit_h_max       11
_diffrn_reflns_limit_h_min       -11
_diffrn_reflns_limit_k_max       11
_diffrn_reflns_limit_k_min       -12
_diffrn_reflns_limit_l_max       13
_diffrn_reflns_limit_l_min       -12
_diffrn_reflns_number            6701
_diffrn_reflns_theta_full        25.68
_diffrn_reflns_theta_max         25.68
_diffrn_reflns_theta_min         2.04
_exptl_absorpt_coefficient_mu    0.868
_exptl_absorpt_correction_T_max  0.614
_exptl_absorpt_correction_T_min  0.506
_exptl_absorpt_correction_type   empirical
_exptl_absorpt_process_details   'psi scan'
_exptl_crystal_colour            orange
_exptl_crystal_density_diffrn    1.575
_exptl_crystal_description       block
_exptl_crystal_F_000             426
_exptl_crystal_size_max          0.25
_exptl_crystal_size_mid          0.2
_exptl_crystal_size_min          0.2
_refine_diff_density_max         1.105
_refine_diff_density_min         -0.944
_refine_diff_density_rms         0.104
_refine_ls_extinction_coef       0.118(10)
_refine_ls_extinction_expression Fc^*^=kFc[1+0.001xFc^2^\l^3^/sin(2\q)]^-1/4^
_refine_ls_extinction_method     SHELXL
_refine_ls_goodness_of_fit_ref   1.116
_refine_ls_hydrogen_treatment    mixed
_refine_ls_matrix_type           full
_refine_ls_number_parameters     232
_refine_ls_number_reflns         3200
_refine_ls_number_restraints     3
_refine_ls_restrained_S_all      1.115
_refine_ls_R_factor_all          0.0646
_refine_ls_R_factor_gt           0.0595
_refine_ls_shift/su_max          0.100
_refine_ls_shift/su_mean         0.002
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'calc w=1/[\s^2^(Fo^2^)+(0.0919P)^2^+1.6474P] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1716
_refine_ls_wR_factor_ref         0.1770
_reflns_number_gt                2814
_reflns_number_total             3200
_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            ic200888n_si_002.cif
_cod_data_source_block           f
_cod_original_formula_sum        'C10 H26 Cl Cr F2 n4 O5'
_cod_database_code               4325459