Ruthenium Tris(2-pyridylmethyl)amine as an Effective Photocaging Group for Nitriles.
Sharma, Rajgopal; Knoll, Jessica D.; Martin, Philip D.; Podgorski, Izabela; Turro, Claudia; Kodanko, Jeremy J.; Inorganic chemistry 53 (2014) 3272–; doi:10.1021/ic500299s

data_4337866
_publ_section_title
;
 Ruthenium Tris(2-pyridylmethyl)amine as an Effective Photocaging Group
 for Nitriles.
;
_journal_issue                   7
_journal_name_full               'Inorganic chemistry'
_journal_page_first              3272
_journal_paper_doi               10.1021/ic500299s
_journal_volume                  53
_journal_year                    2014
_chemical_formula_sum            'C25 H28.5 F12 N7.5 P2 Ru'
_chemical_formula_weight         825.06
_space_group_crystal_system      triclinic
_space_group_IT_number           2
_space_group_name_Hall           '-P 1'
_space_group_name_H-M_alt        'P -1'
_symmetry_space_group_name_Hall  '-P 1'
_symmetry_space_group_name_H-M   'P -1'
_atom_sites_solution_hydrogens   geom
_audit_creation_method           SHELXL-2013
_cell_angle_alpha                94.436(3)
_cell_angle_beta                 97.000(3)
_cell_angle_gamma                91.324(3)
_cell_formula_units_Z            4
_cell_length_a                   12.1129(8)
_cell_length_b                   12.2928(8)
_cell_length_c                   21.8490(15)
_cell_measurement_temperature    100(2)
_cell_volume                     3217.7(4)
_computing_structure_refinement  'SHELXL-2013 (Sheldrick, 2013)'
_diffrn_ambient_temperature      100(2)
_diffrn_measured_fraction_theta_full 0.965
_diffrn_measured_fraction_theta_max 0.959
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_reflns_av_R_equivalents  0.0366
_diffrn_reflns_av_unetI/netI     0.0446
_diffrn_reflns_Laue_measured_fraction_full 0.965
_diffrn_reflns_Laue_measured_fraction_max 0.959
_diffrn_reflns_limit_h_max       15
_diffrn_reflns_limit_h_min       -15
_diffrn_reflns_limit_k_max       15
_diffrn_reflns_limit_k_min       -15
_diffrn_reflns_limit_l_max       27
_diffrn_reflns_limit_l_min       -26
_diffrn_reflns_number            65934
_diffrn_reflns_point_group_measured_fraction_full 0.965
_diffrn_reflns_point_group_measured_fraction_max 0.959
_diffrn_reflns_theta_full        25.242
_diffrn_reflns_theta_max         26.371
_diffrn_reflns_theta_min         0.942
_exptl_absorpt_coefficient_mu    0.688
_exptl_crystal_density_diffrn    1.704
_exptl_crystal_F_000             1653
_refine_diff_density_max         1.728
_refine_diff_density_min         -1.368
_refine_diff_density_rms         0.130
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.413
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     863
_refine_ls_number_reflns         12628
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      1.413
_refine_ls_R_factor_all          0.0771
_refine_ls_R_factor_gt           0.0579
_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^)+(0.1000P)^2^+0.5098P]
 where P=(Fo^2^+2Fc^2^)/3
;
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1853
_refine_ls_wR_factor_ref         0.1952
_reflns_Friedel_coverage         0.000
_reflns_number_gt                10076
_reflns_number_total             12628
_reflns_threshold_expression     'I > 2\s(I)'
_cod_data_source_file            ic500299s_si_001.cif
_cod_data_source_block           rs01147_p8a_p1bar_s
_cod_depositor_comments          'Adding full bibliography for 4337866.cif.'
_cod_original_formula_sum        'C49.50 H57 F24 N15.50 P4 Ru2'
_cod_database_code               4337866
_shelxl_version_number           2013-2
_shelx_res_checksum              93575
_shelx_hkl_checksum              3098