Bis(3,5-dimeth-oxy-2-{[2-(pyridin-2-yl)ethyl-imino-κ<i>N</i>]-meth-yl}phenolato-κ<i>O</i>)bis-(dimethyl sulfoxide)-manganese(III) perchlorate methanol 0.774-solvate.
Egekenze, Rita; Gultneh, Yilma; Butcher, Ray J.; Acta crystallographica. Section E, Crystallographic communications 73 (2017) 1479–1482; doi:10.1107/S205698901701204X

data_2311410
_publ_section_title
;
 Bis(3,5-dimeth-oxy-2-{[2-(pyridin-2-yl)ethyl-imino-\k<i>N</i>]-meth-yl}phenolato-\k<i>O</i>)bis-(dimethyl
 sulfoxide)-manganese(III) perchlorate methanol 0.774-solvate.
;
_journal_coeditor_code           IM2481
_journal_issue                   'Pt 10'
_journal_name_full
'Acta crystallographica. Section E, Crystallographic communications'
_journal_page_first              1479
_journal_page_last               1482
_journal_paper_doi               10.1107/S205698901701204X
_journal_volume                  73
_journal_year                    2017
_chemical_formula_iupac
'[Mn (C16 H17 N2 O3)2 (C2 H6 O S)2] Cl O4, 0.774C H4 O'
_chemical_formula_moiety
;
C36 H46 Mn N4 O8 S2 +, Cl O4 -, 0.774(C H4 O)
;
_chemical_formula_sum            'C36.77 H49.1 Cl Mn N4 O12.77 S2'
_chemical_formula_weight         906.10
_chemical_name_systematic
;Bis(3,5-dimethoxy-2-{[2-(pyridin-2-yl)ethylimino-\k<i>N</i>]methyl}phenolato-\k<i>O</i>)bis(dimethyl sulfoxide)manganese(III) perchlorate methanol
0.774-solvate
;
_space_group_crystal_system      triclinic
_space_group_IT_number           2
_space_group_name_Hall           '-P 1'
_space_group_name_H-M_alt        'P -1'
_atom_sites_solution_hydrogens   mixed
_atom_sites_solution_primary     direct
_atom_sites_solution_secondary   difmap
_audit_creation_method           SHELXL-2016/6
_cell_angle_alpha                87.540(3)
_cell_angle_beta                 89.175(3)
_cell_angle_gamma                87.729(3)
_cell_formula_units_Z            2
_cell_length_a                   8.0730(4)
_cell_length_b                   11.0143(4)
_cell_length_c                   23.0453(7)
_cell_measurement_reflns_used    12258
_cell_measurement_temperature    123(2)
_cell_measurement_theta_max      37.5900
_cell_measurement_theta_min      3.0959
_cell_volume                     2045.49(14)
_computing_cell_refinement
;
CrysAlis PRO (Agilent, 2012)
;
_computing_data_collection
;
CrysAlis PRO (Agilent, 2012)
;
_computing_data_reduction
;
CrysAlis PRO (Agilent, 2012)
;
_computing_molecular_graphics
;
SHELXTL (Sheldrick, 2008)
;
_computing_publication_material
;
SHELXTL (Sheldrick, 2008)
;
_computing_structure_refinement
;
SHELXL2016 (Sheldrick, 2015)
;
_computing_structure_solution
;
SHELXS97 (Sheldrick, 2008)
;
_diffrn_ambient_temperature      123(2)
_diffrn_detector_area_resol_mean 10.5081
_diffrn_measured_fraction_theta_full 0.997
_diffrn_measured_fraction_theta_max 0.941
_diffrn_measurement_device_type  'Agilent Xcalibur Ruby Gemini'
_diffrn_measurement_method       '\w scans'
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_reflns_av_R_equivalents  0.0314
_diffrn_reflns_limit_h_max       13
_diffrn_reflns_limit_h_min       -13
_diffrn_reflns_limit_k_max       18
_diffrn_reflns_limit_k_min       -18
_diffrn_reflns_limit_l_max       37
_diffrn_reflns_limit_l_min       -39
_diffrn_reflns_number            36920
_diffrn_reflns_theta_full        25.242
_diffrn_reflns_theta_max         37.679
_diffrn_reflns_theta_min         3.102
_exptl_absorpt_coefficient_mu    0.558
_exptl_absorpt_correction_T_max  0.885
_exptl_absorpt_correction_T_min  0.754
_exptl_absorpt_correction_type   analytical
_exptl_absorpt_process_details
;
[CrysAlis PRO (Agilent, 2012), based on expressions derived by Clark &
Reid
(1995)]
;
_exptl_crystal_colour            red-brown
_exptl_crystal_density_diffrn    1.471
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       prism
_exptl_crystal_F_000             947.9
_exptl_crystal_size_max          0.7045
_exptl_crystal_size_mid          0.4022
_exptl_crystal_size_min          0.2410
_refine_diff_density_max         1.160
_refine_diff_density_min         -1.008
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.103
_refine_ls_hydrogen_treatment    mixed
_refine_ls_matrix_type           full
_refine_ls_number_parameters     577
_refine_ls_number_reflns         20464
_refine_ls_number_restraints     148
_refine_ls_restrained_S_all      1.112
_refine_ls_R_factor_all          0.0782
_refine_ls_R_factor_gt           0.0603
_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^)+(0.0465P)^2^+1.6285P] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1387
_refine_ls_wR_factor_ref         0.1487
_reflns_number_gt                16259
_reflns_number_total             20464
_reflns_threshold_expression     'I > 2\s(I)'
_cod_data_source_file            im2481sup1.cif
_cod_data_source_block           I
_cod_original_formula_sum        'C36.77 H49.10 Cl Mn N4 O12.77 S2'
_cod_database_code               2311410
_shelx_hkl_checksum              22724
_shelx_res_checksum              39455