Octahedral manganese(i) and ruthenium(ii) complexes containing 2-(methylamido)pyridine-borane as a tripod κ(3)N,H,H-ligand.
Brugos, Javier; Cabeza, Javier A.; García-Álvarez, Pablo; Pérez-Carreño, Enrique; Van der Maelen, Juan F.; Dalton transactions (Cambridge, England : 2003) 46 (2017) 4009–4017; doi:10.1039/c7dt00378a

data_7042232
_publ_section_title
;
 Octahedral manganese(i) and ruthenium(ii) complexes containing
 2-(methylamido)pyridine-borane as a tripod \k(3)N,H,H-ligand.
;
_journal_issue                   12
_journal_name_full
'Dalton transactions (Cambridge, England : 2003)'
_journal_page_first              4009
_journal_page_last               4017
_journal_paper_doi               10.1039/c7dt00378a
_journal_volume                  46
_journal_year                    2017
_chemical_formula_moiety         'C16 H32 B N2 O P Ru'
_chemical_formula_sum            'C16 H32 B N2 O P Ru'
_chemical_formula_weight         411.28
_chemical_name_systematic
;
 ?
;
_space_group_crystal_system      monoclinic
_space_group_IT_number           14
_space_group_name_Hall           '-P 2yn'
_space_group_name_H-M_alt        'P 1 21/n 1'
_symmetry_space_group_name_Hall  '-P 2yn'
_symmetry_space_group_name_H-M   'P 1 21/n 1'
_atom_sites_solution_hydrogens   mixed
_audit_creation_method           SHELXL-2014
_audit_update_record
;
2017-01-31 deposited with the CCDC.
2017-02-27 downloaded from the CCDC.
;
_cell_angle_alpha                90
_cell_angle_beta                 92.340(2)
_cell_angle_gamma                90
_cell_formula_units_Z            4
_cell_length_a                   7.4628(2)
_cell_length_b                   15.8516(3)
_cell_length_c                   16.3342(3)
_cell_measurement_reflns_used    6711
_cell_measurement_temperature    151(2)
_cell_measurement_theta_max      69.3820
_cell_measurement_theta_min      3.8960
_cell_volume                     1930.68(7)
_computing_cell_refinement
;
'CrysAlisPro 1.171.38.43 (Rigaku OD, 2015)'
;
_computing_data_collection
;
'CrysAlisPro 1.171.38.43 (Rigaku OD, 2015)'
;
_computing_data_reduction
;
'CrysAlisPro 1.171.38.43 (Rigaku OD, 2015)'
;
_computing_molecular_graphics
'MERCURY (Cambridge Crystallographic Data Centre: Cambridge, UK, 2016)'
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_computing_structure_refinement  'SHELXL-2014 (Sheldrick, 2014)'
_computing_structure_solution    'SIR-97 (Giacovazzo, 1999)'
_diffrn_ambient_temperature      151(2)
_diffrn_measured_fraction_theta_full 0.996
_diffrn_measured_fraction_theta_max 0.979
_diffrn_measurement_device_type  'Xcalibur, Onyx, Nova'
_diffrn_radiation_type           CuK\a
_diffrn_radiation_wavelength     1.5418
_diffrn_reflns_av_R_equivalents  0.0209
_diffrn_reflns_av_unetI/netI     0.0232
_diffrn_reflns_Laue_measured_fraction_full 0.996
_diffrn_reflns_Laue_measured_fraction_max 0.979
_diffrn_reflns_limit_h_max       9
_diffrn_reflns_limit_h_min       -7
_diffrn_reflns_limit_k_max       18
_diffrn_reflns_limit_k_min       -18
_diffrn_reflns_limit_l_max       19
_diffrn_reflns_limit_l_min       -14
_diffrn_reflns_number            8817
_diffrn_reflns_point_group_measured_fraction_full 0.996
_diffrn_reflns_point_group_measured_fraction_max 0.979
_diffrn_reflns_theta_full        67.680
_diffrn_reflns_theta_max         69.536
_diffrn_reflns_theta_min         3.887
_diffrn_source                   'micro-focus sealed X-ray tube'
_exptl_absorpt_coefficient_mu    7.361
_exptl_absorpt_correction_T_max  1.00000
_exptl_absorpt_correction_T_min  0.79361
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details
;
_oxdiff_exptl_absorpt_empirical_full_min           0.869
_oxdiff_exptl_absorpt_empirical_full_max           1.192
_oxdiff_exptl_absorpt_empirical_details
;
_exptl_crystal_colour            yellow
_exptl_crystal_density_diffrn    1.415
_exptl_crystal_description       fragment
_exptl_crystal_F_000             856
_exptl_crystal_size_max          0.16
_exptl_crystal_size_mid          0.12
_exptl_crystal_size_min          0.09
_refine_diff_density_max         0.833
_refine_diff_density_min         -0.656
_refine_diff_density_rms         0.059
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.041
_refine_ls_hydrogen_treatment    mixed
_refine_ls_matrix_type           full
_refine_ls_number_parameters     222
_refine_ls_number_reflns         3556
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      1.041
_refine_ls_R_factor_all          0.0242
_refine_ls_R_factor_gt           0.0230
_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^)+(0.0245P)^2^+1.5168P] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0556
_refine_ls_wR_factor_ref         0.0564
_reflns_Friedel_coverage         0.000
_reflns_number_gt                3401
_reflns_number_total             3556
_reflns_threshold_expression     'I > 2\s(I)'
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_cod_data_source_block           2
_cod_depositor_comments
'Adding full bibliography for 7042231--7042232.cif.'
_cod_database_code               7042232
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